data_6k51_residue ############################ # Computer software used # ############################ 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 6k51 _Structure_validation_residue.Date_analyzed 2019-06-07 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' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 . . . . . 0 N--CA 1.464 0.267 0 CA-C-O 121.143 0.497 . . . . 1.21 112.012 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.463 ' HA3' ' HB3' ' A' ' 14' ' ' LYS . . . 84.48 -36.42 2.95 Favored Glycine 0 N--CA 1.452 -0.238 0 CA-C-N 115.809 -0.632 . . . . 0.95 113.595 173.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.852 ' SG ' ' HG2' ' A' ' 10' ' ' GLU . 13.3 t -76.69 -57.46 3.84 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.053 -0.721 . . . . 1.67 109.053 177.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 26.9 m120 69.78 -46.12 0.59 Allowed 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.872 1.064 . . . . 1.77 113.872 169.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 174.96 -177.94 46.86 Favored Glycine 0 N--CA 1.442 -0.935 0 N-CA-C 111.646 -0.581 . . . . 0.69 111.646 -176.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -61.51 -34.22 86.04 Favored 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.823 2.349 . . . . 0.79 112.818 -175.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 2.1 m95 -56.75 -42.65 79.69 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.253 -0.885 . . . . 3.03 110.955 -174.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -105.83 -75.76 0.62 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.724 -0.671 . . . . 2.45 110.281 179.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.852 ' HG2' ' SG ' ' A' ' 4' ' ' CYS . 1.4 tm-20 58.13 74.98 0.4 Allowed 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 123.805 0.691 . . . . 1.86 112.091 176.183 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.464 ' H ' ' HA ' ' A' ' 4' ' ' CYS . 8.5 m-20 -97.42 99.21 10.64 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.61 -0.723 . . . . 2.14 109.355 170.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -60.2 -40.19 89.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.778 -0.646 . . . . 2.02 111.328 -175.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.7 tp -64.87 -30.61 71.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.276 -0.42 . . . . 1.22 111.156 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.463 ' HB3' ' HA3' ' A' ' 3' ' ' GLY . 25.3 mmmt -63.04 -44.22 96.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.975 0.417 . . . . 2.32 110.058 175.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.8 t -62.71 -47.38 83.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.667 -0.697 . . . . 1.33 109.446 175.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.716 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 47.6 t60 -51.97 -55.11 22.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.418 -0.81 . . . . 0.43 110.285 175.306 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -58.06 -37.03 73.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.465 -0.789 . . . . 0.54 112.375 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -60.31 -45.96 91.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.983 0.42 . . . . 0.52 110.323 177.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.512 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 23.7 m -69.83 -25.53 63.79 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.936 -0.575 . . . . 0.43 110.821 -178.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.716 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 27.8 mmmt -63.65 -31.33 72.47 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.21 0.528 . . . . 1.59 110.547 179.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.1 m -82.35 -6.54 59.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.667 -0.697 . . . . 1.93 111.2 -178.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 27.3 mt -96.98 144.67 10.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.898 -0.408 . . . . 1.17 109.898 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -6.32 -92.47 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 115.196 1.554 . . . . 2.41 115.196 -174.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -126.4 30.68 4.21 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.706 -0.759 . . . . 0.64 112.335 -176.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.512 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 8.5 m-30 -73.14 135.07 44.65 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.078 0.466 . . . . 1.19 109.86 177.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -82.12 -47.33 12.68 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.65 -0.704 . . . . 2.26 111.016 -174.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -158.24 -176.13 29.95 Favored Glycine 0 N--CA 1.44 -1.056 0 C-N-CA 120.58 -0.819 . . . . 0.29 111.541 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.484 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -148.04 149.94 22.08 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.5 -0.857 . . . . 0.35 112.103 -178.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.622 ' HH ' ' HD2' ' A' ' 38' ' ' LYS . 25.9 p90 -146.44 150.17 35.1 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.087 0.47 . . . . 1.2 110.28 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.41 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 3.4 m -75.06 118.86 18.47 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 109.064 -0.717 . . . . 0.58 109.064 177.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.47 -46.74 11.34 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.036 0.384 . . . . 1.05 112.036 -172.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -121.89 70.47 0.96 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 111.941 0.349 . . . . 3.31 111.941 -174.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 73.49 45.68 28.54 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.77 -0.729 . . . . 1.69 112.665 171.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.822 ' HA2' ' SG ' ' A' ' 4' ' ' CYS . . . 82.41 -31.6 2.92 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.964 -0.636 . . . . 0.89 113.717 176.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -54.63 -67.44 0.27 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.51 0.559 . . . . 1.24 112.51 -174.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.1 p -91.85 131.52 38.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 121.321 0.581 . . . . 1.43 112.162 -173.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.5 t -97.21 97.69 9.38 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.875 -1.057 . . . . 1.27 109.943 178.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.622 ' HD2' ' HH ' ' A' ' 29' ' ' TYR . 9.3 tmtm? -90.29 143.85 26.38 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.905 -0.589 . . . . 2.06 110.106 179.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.403 ' N ' ' HD3' ' A' ' 38' ' ' LYS . 35.9 m -123.74 156.86 35.23 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.013 -0.54 . . . . 0.36 110.287 -174.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 13.5 p90 . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.341 -0.838 . . . . 1.15 110.449 179.056 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 . . . . . 0 CA--C 1.522 -0.133 0 CA-C-O 120.902 0.382 . . . . 1.21 111.098 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 170.59 -79.65 0.09 OUTLIER Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.618 -0.801 . . . . 0.95 112.139 -177.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 5' ' ' ASN . 39.1 m -55.91 -54.84 39.76 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 111.452 0.167 . . . . 1.67 111.452 -177.113 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.412 ' HB2' ' O ' ' A' ' 4' ' ' CYS . 32.2 m-80 71.11 -50.31 0.68 Allowed 'General case' 0 C--N 1.342 0.249 0 C-N-CA 123.751 0.82 . . . . 1.77 112.649 176.09 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -178.24 151.67 10.83 Favored Glycine 0 N--CA 1.44 -1.098 0 N-CA-C 111.04 -0.824 . . . . 0.69 111.04 -177.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -41.21 -38.69 3.47 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 124.532 3.488 . . . . 0.79 114.169 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -53.74 -42.83 68.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.491 -0.777 . . . . 3.03 111.168 -175.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.421 ' HG3' ' H ' ' A' ' 10' ' ' GLU . 6.9 pt20 -108.98 -56.6 2.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.769 -0.65 . . . . 2.45 110.419 -179.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.421 ' H ' ' HG3' ' A' ' 9' ' ' GLN . 7.7 tt0 50.95 61.6 3.16 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.77 -0.65 . . . . 1.86 111.886 175.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.443 ' HB3' ' HB2' ' A' ' 14' ' ' LYS . 14.4 m-20 -72.21 90.2 1.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 2.14 110.346 178.125 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -63.91 -55.26 23.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.514 -0.767 . . . . 2.02 111.827 -174.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 45.1 tp -68.03 -30.5 69.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.407 -0.36 . . . . 1.22 111.081 -175.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.443 ' HB2' ' HB3' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -67.45 -35.2 78.74 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.771 -0.455 . . . . 2.32 109.771 177.92 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 52.7 t -65.63 -46.72 78.15 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.148 -0.686 . . . . 1.33 109.148 173.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.705 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 58.0 t60 -53.23 -52.48 58.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.197 -0.91 . . . . 0.43 110.297 175.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -61.83 -32.17 72.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.637 -0.71 . . . . 0.54 112.462 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.473 ' CE1' HD13 ' A' ' 22' ' ' ILE . 16.2 t60 -61.11 -47.17 87.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.045 0.45 . . . . 0.52 109.841 175.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.517 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 34.9 m -69.64 -27.46 65.07 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.893 -0.594 . . . . 0.43 110.797 -178.613 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.705 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 1.9 mmmp? -61.83 -30.89 71.14 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 121.391 0.615 . . . . 1.59 110.283 177.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.1 m -89.67 2.95 54.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.277 -0.874 . . . . 1.93 111.253 -175.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.477 HG22 ' HG2' ' A' ' 23' ' ' LYS . 31.0 mt -105.23 135.84 41.62 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 CA-C-N 116.414 -0.357 . . . . 1.17 110.091 175.52 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.477 ' HG2' HG22 ' A' ' 22' ' ' ILE . 1.6 ptpp? 7.87 -100.09 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.061 0 O-C-N 125.186 1.554 . . . . 2.41 114.624 -174.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.24 30.24 4.82 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.759 -0.734 . . . . 0.64 112.414 -177.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.517 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 12.1 m-30 -65.7 149.97 49.26 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.122 0.487 . . . . 1.19 110.349 177.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.497 ' HB3' ' OXT' ' A' ' 40' ' ' TYR . 58.5 tttp -89.53 -49.18 6.83 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.76 -0.655 . . . . 2.26 110.72 -175.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -163.89 -172.72 31.72 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.326 -0.94 . . . . 0.29 112.422 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.449 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -145.93 156.6 27.05 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 121.138 -0.554 . . . . 0.35 111.806 179.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.668 ' HH ' ' HD3' ' A' ' 38' ' ' LYS . 13.9 p90 -157.78 161.94 38.46 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.16 0.505 . . . . 1.2 110.884 -177.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.488 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 3.6 m -82.97 108.78 16.53 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.679 -0.691 . . . . 0.58 110.043 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.17 -62.04 1.8 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.34 0.59 . . . . 1.05 111.159 -176.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.457 ' HB3' HG13 ' A' ' 36' ' ' VAL . 51.3 tptt -88.27 54.21 2.99 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.907 -0.588 . . . . 3.31 111.193 -175.081 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.76 34.23 86.68 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.974 -0.631 . . . . 1.69 113.122 171.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.488 ' HA2' ' HB3' ' A' ' 30' ' ' CYS . . . 100.04 -26.97 22.46 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.481 -0.866 . . . . 0.89 113.117 177.344 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -67.67 -19.59 65.2 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.259 0.466 . . . . 1.24 112.259 -174.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.457 HG13 ' HB3' ' A' ' 32' ' ' LYS . 1.3 m -126.99 161.94 32.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.538 -0.465 . . . . 1.43 110.483 -179.048 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 40.6 t -124.47 98.8 5.9 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.932 -0.766 . . . . 1.27 108.932 175.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.668 ' HD3' ' HH ' ' A' ' 29' ' ' TYR . 45.6 tttp -94.71 160.83 14.44 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.368 -0.378 . . . . 2.06 110.228 -178.289 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.592 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 62.4 m -126.15 158.93 34.27 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.89 -0.411 . . . . 0.36 109.89 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.497 ' OXT' ' HB3' ' A' ' 26' ' ' LYS . 34.0 p90 . . . . . 0 C--O 1.248 0.979 0 N-CA-C 109.138 -0.69 . . . . 1.15 109.138 176.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 . . . . . 0 N--CA 1.454 -0.232 0 CA-C-O 121.321 0.582 . . . . 1.21 110.385 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 102.33 -57.7 0.61 Allowed Glycine 0 N--CA 1.444 -0.806 0 CA-C-N 115.561 -0.745 . . . . 0.95 111.416 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.6 m -70.74 103.69 2.65 Favored 'General case' 0 N--CA 1.441 -0.906 0 N-CA-C 109.874 -0.417 . . . . 1.67 109.874 177.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.445 ' HB2' ' CD ' ' A' ' 9' ' ' GLN . 15.8 m120 -117.62 38.24 3.67 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.449 0.642 . . . . 1.77 109.888 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 120.11 162.27 11.8 Favored Glycine 0 N--CA 1.441 -0.998 0 N-CA-C 110.8 -0.92 . . . . 0.69 110.8 -174.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.544 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 2.9 Cg_endo -49.77 -34.58 36.38 Favored 'Trans proline' 0 CA--C 1.528 0.212 0 C-N-CA 123.427 2.752 . . . . 0.79 113.149 179.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 3.0 m95 -82.85 -15.62 50.81 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.842 -0.617 . . . . 3.03 111.329 -174.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.445 ' CD ' ' HB2' ' A' ' 5' ' ' ASN . 0.0 OUTLIER -108.18 -2.4 19.44 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.22 -0.445 . . . . 2.45 110.107 -176.449 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.498 ' HG2' ' SG ' ' A' ' 30' ' ' CYS . 0.3 OUTLIER -41.56 115.71 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.629 -1.168 . . . . 1.86 111.761 177.784 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -137.19 116.64 12.79 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.887 -0.597 . . . . 2.14 109.805 177.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -63.9 -44.78 91.93 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.764 -1.107 . . . . 2.02 111.627 -176.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.0 tp -72.79 -36.41 67.58 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 111.974 0.361 . . . . 1.22 111.974 -172.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -60.15 -45.92 91.42 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.799 0.333 . . . . 2.32 110.527 177.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.1 t -67.91 -40.41 83.4 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.508 -0.553 . . . . 1.33 109.508 177.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.704 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 49.6 t60 -55.34 -53.3 57.93 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 115.821 -0.627 . . . . 0.43 110.031 175.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 58.2 m-20 -56.48 -37.78 70.83 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.097 -0.956 . . . . 0.54 111.98 -179.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.493 ' CE1' HD13 ' A' ' 22' ' ' ILE . 9.4 t60 -60.53 -47.22 87.12 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.098 0.475 . . . . 0.52 110.767 176.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.425 ' SG ' ' HA3' ' A' ' 28' ' ' GLY . 30.9 m -69.98 -17.15 63.28 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.866 -0.606 . . . . 0.43 111.092 -176.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.704 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 28.1 mmmt -71.21 -24.6 62.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.102 0.477 . . . . 1.59 110.54 -179.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.0 t -86.32 -11.96 50.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.856 -0.611 . . . . 1.93 110.373 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.539 HG21 ' HG2' ' A' ' 23' ' ' LYS . 21.6 mt -97.44 139.49 19.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.541 -0.3 . . . . 1.17 110.402 -178.084 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.539 ' HG2' HG21 ' A' ' 22' ' ' ILE . 4.2 ptmm? -1.31 -95.73 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 115.332 1.604 . . . . 2.41 115.332 -172.267 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.11 20.27 7.14 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.565 -0.826 . . . . 0.64 112.53 -175.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.41 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 12.4 m-30 -61.82 124.66 21.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.112 0.482 . . . . 1.19 109.756 177.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -67.57 -45.76 74.66 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.519 -0.764 . . . . 2.26 110.805 -175.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -166.15 -166.36 25.05 Favored Glycine 0 N--CA 1.438 -1.211 0 CA-C-N 115.42 -0.809 . . . . 0.29 111.314 -178.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.52 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -154.0 171.77 32.66 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.376 -0.916 . . . . 0.35 112.546 -177.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -169.07 157.09 7.6 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.631 -0.507 . . . . 1.2 109.631 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.507 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 5.6 m -75.25 109.32 8.66 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.867 -0.79 . . . . 0.58 108.867 177.219 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.8 -44.18 74.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 1.05 111.844 -169.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -127.72 82.96 2.12 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.26 -0.427 . . . . 3.31 110.981 -175.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.544 ' O ' ' HA ' ' A' ' 7' ' ' PRO . . . 86.97 -53.54 4.5 Favored Glycine 0 N--CA 1.452 -0.3 0 CA-C-N 115.894 -0.593 . . . . 1.69 112.371 170.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.507 ' HA2' ' HB3' ' A' ' 30' ' ' CYS . . . 159.7 31.7 0.02 OUTLIER Glycine 0 C--O 1.22 -0.752 0 C-N-CA 121.035 -0.602 . . . . 0.89 112.037 179.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -109.48 -59.73 1.87 Allowed 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 121.32 0.581 . . . . 1.24 110.577 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -88.2 130.1 38.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 115.327 -0.852 . . . . 1.43 111.286 -175.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 47.6 t -95.1 91.66 6.44 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.36 -0.836 . . . . 1.27 108.927 177.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -82.47 142.1 32.17 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.365 -0.834 . . . . 2.06 110.494 -178.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 57.2 m -124.84 157.86 34.85 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.489 -0.778 . . . . 0.36 109.31 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.246 0.871 0 CA-C-O 119.063 -0.494 . . . . 1.15 110.857 178.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 . . . . . 0 N--CA 1.456 -0.153 0 CA-C-O 120.777 0.322 . . . . 1.21 111.205 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.416 ' O ' ' HB2' ' A' ' 11' ' ' ASP . . . 157.4 -59.48 0.35 Allowed Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.06 -1.067 . . . . 0.95 112.798 179.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 47.9 m -57.36 -62.82 1.5 Allowed 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 122.135 0.174 . . . . 1.67 111.01 -178.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.0 m120 57.46 44.69 20.94 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.307 0.484 . . . . 1.77 112.307 175.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 86.25 152.75 21.16 Favored Glycine 0 N--CA 1.444 -0.819 0 C-N-CA 120.727 -0.749 . . . . 0.69 112.801 175.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -47.86 -32.34 17.19 Favored 'Trans proline' 0 CA--C 1.53 0.3 0 C-N-CA 124.397 3.398 . . . . 0.79 114.028 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -48.97 -48.37 43.3 Favored 'General case' 0 CA--C 1.521 -0.172 0 C-N-CA 123.696 0.798 . . . . 3.03 110.392 -176.127 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -109.57 -54.78 2.51 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.069 -0.969 . . . . 2.45 110.384 179.25 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 48.08 58.16 5.38 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 123.748 0.655 . . . . 1.86 111.198 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.434 ' HB3' ' HB2' ' A' ' 14' ' ' LYS . 21.4 m-20 -72.7 93.02 1.59 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.88 -0.6 . . . . 2.14 110.659 -178.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -56.88 -54.23 48.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.665 -1.152 . . . . 2.02 112.165 -176.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 25.8 tp -66.39 -30.02 70.3 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.346 -0.388 . . . . 1.22 111.125 -175.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.434 ' HB2' ' HB3' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -64.02 -39.87 95.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.704 0.287 . . . . 2.32 110.357 177.647 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.2 t -63.57 -45.84 88.65 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.302 -0.629 . . . . 1.33 109.302 175.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.686 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 45.3 t60 -54.56 -53.8 49.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.403 -0.817 . . . . 0.43 110.29 175.263 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -60.86 -31.32 70.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.455 -0.793 . . . . 0.54 112.48 -178.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.437 ' CE1' HD13 ' A' ' 22' ' ' ILE . 7.5 t60 -62.67 -48.53 78.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.057 0.456 . . . . 0.52 109.986 175.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.475 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 36.5 m -67.55 -23.73 65.46 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.721 -0.672 . . . . 0.43 110.794 -178.273 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.686 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 2.0 mmmp? -66.15 -23.67 66.52 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.315 0.579 . . . . 1.59 110.51 178.165 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.5 m -90.61 2.38 55.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.509 -0.769 . . . . 1.93 110.726 -178.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.514 HG23 ' HG2' ' A' ' 23' ' ' LYS . 22.0 mt -108.95 137.51 40.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 116.341 -0.391 . . . . 1.17 110.586 178.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.514 ' HG2' HG23 ' A' ' 22' ' ' ILE . 9.5 ptpt 5.16 -96.65 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.571 1.548 . . . . 2.41 115.031 -175.305 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -126.43 29.59 4.48 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.838 -0.696 . . . . 0.64 112.046 -178.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.475 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 12.8 m-30 -68.54 130.32 42.5 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.236 0.541 . . . . 1.19 110.305 177.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.501 ' HB3' ' OXT' ' A' ' 40' ' ' TYR . 50.1 tttp -76.06 -42.04 48.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.326 -0.852 . . . . 2.26 111.169 -174.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -165.48 -173.78 34.38 Favored Glycine 0 N--CA 1.441 -0.98 0 C-N-CA 120.409 -0.9 . . . . 0.29 112.151 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.479 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -149.03 152.47 24.48 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 121.017 -0.611 . . . . 0.35 111.887 -179.183 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.493 ' CE2' ' HD2' ' A' ' 38' ' ' LYS . 15.2 p90 -151.7 154.92 37.27 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.881 0.372 . . . . 1.2 110.417 -178.153 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.454 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 4.3 m -75.17 108.82 8.18 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.821 -0.807 . . . . 0.58 108.821 176.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.25 -47.59 41.85 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.105 0.409 . . . . 1.05 112.105 -170.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 43.3 mmtm -134.74 82.77 1.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.006 0.432 . . . . 3.31 111.893 -175.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.98 29.97 21.66 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.589 -0.815 . . . . 1.69 113.851 165.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.454 ' HA2' ' HB3' ' A' ' 30' ' ' CYS . . . 73.29 9.8 77.73 Favored Glycine 0 C--O 1.225 -0.406 0 C-N-CA 120.519 -0.848 . . . . 0.89 113.016 178.096 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -94.47 -63.69 1.15 Allowed 'General case' 0 C--N 1.32 -0.677 0 O-C-N 122.372 -0.487 . . . . 1.24 111.342 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.4 p -87.58 130.13 37.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.219 0.533 . . . . 1.43 111.744 -174.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.2 t -97.14 93.68 6.7 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.161 -0.927 . . . . 1.27 109.188 178.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.493 ' HD2' ' CE2' ' A' ' 29' ' ' TYR . 9.4 tmtm? -92.08 142.77 27.15 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.715 -0.675 . . . . 2.06 110.227 -177.149 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 27.4 m -118.71 154.65 32.41 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.852 -0.613 . . . . 0.36 110.499 -176.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.501 ' OXT' ' HB3' ' A' ' 26' ' ' LYS . 5.4 p90 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.362 -0.828 . . . . 1.15 110.198 178.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 . . . . . 0 N--CA 1.462 0.174 0 CA-C-O 121.266 0.555 . . . . 1.21 111.696 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.84 37.89 37.84 Favored Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 115.541 -0.754 . . . . 0.95 113.419 174.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.814 ' SG ' ' HA2' ' A' ' 34' ' ' GLY . 7.7 t -138.61 -70.47 0.42 Allowed 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.556 -0.458 . . . . 1.67 110.159 174.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 51.09 44.85 28.47 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 113.238 0.829 . . . . 1.77 113.238 173.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 91.91 160.51 36.18 Favored Glycine 0 N--CA 1.442 -0.923 0 C-N-CA 120.439 -0.886 . . . . 0.69 112.273 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -46.04 -33.08 10.72 Favored 'Trans proline' 0 CA--C 1.53 0.32 0 C-N-CA 124.145 3.23 . . . . 0.79 113.76 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 4.5 m95 -64.95 -37.94 89.33 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.82 -0.627 . . . . 3.03 111.728 -173.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.37 -9.01 13.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.702 -0.226 . . . . 2.45 111.158 -175.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.569 ' HG2' ' SG ' ' A' ' 4' ' ' CYS . 1.4 tm-20 -36.67 102.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 124.566 1.146 . . . . 1.86 112.385 177.332 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -95.75 -11.9 26.24 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.021 -0.536 . . . . 2.14 111.274 -178.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.5 t70 66.34 -74.75 0.06 Allowed 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 123.584 0.754 . . . . 2.02 112.473 -177.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.8 tp -59.45 -35.3 73.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.046 -0.525 . . . . 1.22 111.802 -174.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -57.61 -37.22 72.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.83 0.348 . . . . 2.32 110.857 178.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 50.7 t -70.57 -41.85 71.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.242 0.544 . . . . 1.33 109.639 178.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.666 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 55.9 t60 -57.01 -49.3 76.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.602 -0.726 . . . . 0.43 109.862 174.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -60.61 -32.36 71.49 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.227 -0.897 . . . . 0.54 111.986 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.452 ' CE1' HD13 ' A' ' 22' ' ' ILE . 7.6 t60 -60.99 -48.38 82.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.027 0.441 . . . . 0.52 110.477 177.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.454 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 33.8 m -73.33 -15.86 61.38 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.011 -0.541 . . . . 0.43 111.31 -175.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.666 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 1.4 mmmp? -69.46 -26.38 64.55 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.385 0.612 . . . . 1.59 109.984 177.56 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.3 t -88.14 -3.71 58.84 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.443 -0.799 . . . . 1.93 110.397 -177.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.462 HG23 ' HG2' ' A' ' 23' ' ' LYS . 37.9 mt -98.85 143.57 13.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.104 -0.498 . . . . 1.17 110.114 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.462 ' HG2' HG23 ' A' ' 22' ' ' ILE . 1.6 ptpp? -4.76 -95.63 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 115.208 1.559 . . . . 2.41 115.208 -174.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -125.82 28.35 4.94 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.484 -0.865 . . . . 0.64 112.104 -177.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.454 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 10.6 m-30 -65.86 143.76 57.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.877 0.37 . . . . 1.19 110.381 178.172 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -82.02 -41.95 19.98 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.807 -0.633 . . . . 2.26 110.93 -176.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -172.9 -170.01 36.1 Favored Glycine 0 N--CA 1.442 -0.925 0 C-N-CA 120.807 -0.711 . . . . 0.29 111.42 -178.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.536 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -150.53 162.54 29.34 Favored Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.762 -0.732 . . . . 0.35 111.864 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -164.62 151.52 11.14 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.092 0.472 . . . . 1.2 110.162 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.49 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 38.0 m -76.23 106.19 7.71 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.16 -0.682 . . . . 0.58 109.16 177.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.73 -39.23 73.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.189 -0.46 . . . . 1.05 111.541 -169.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -122.55 72.5 1.07 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.292 -0.413 . . . . 3.31 111.262 -178.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.2 -38.98 2.04 Favored Glycine 0 C--O 1.228 -0.258 0 C-N-CA 121.155 -0.545 . . . . 1.69 113.159 171.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.814 ' HA2' ' SG ' ' A' ' 4' ' ' CYS . . . 160.57 -12.26 0.16 Allowed Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 121.024 -0.608 . . . . 0.89 112.172 -179.22 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -63.07 -38.39 91.0 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 120.948 0.404 . . . . 1.24 111.344 -178.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.49 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 1.2 p -122.98 127.3 74.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.151 0.501 . . . . 1.43 111.736 -175.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.4 t -96.46 90.37 5.36 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.2 -0.909 . . . . 1.27 108.806 174.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.591 ' HG2' ' N ' ' A' ' 39' ' ' CYS . 70.9 tttt -87.6 162.4 17.18 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.404 -0.816 . . . . 2.06 110.476 -176.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.591 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 59.7 m -125.16 156.95 37.58 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.996 -0.547 . . . . 0.36 109.607 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.617 ' HH ' ' HD1' ' A' ' 16' ' ' HIS . 29.7 p90 . . . . . 0 C--O 1.246 0.869 0 CA-C-O 118.942 -0.552 . . . . 1.15 110.098 179.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 . . . . . 0 N--CA 1.471 0.583 0 CA-C-O 120.628 0.251 . . . . 1.21 111.649 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 151.51 -72.47 0.28 Allowed Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.502 -0.856 . . . . 0.95 112.434 -179.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.596 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 8.0 m -79.49 91.92 5.2 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-O 121.25 0.547 . . . . 1.67 109.76 177.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -88.71 32.35 0.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 1.77 110.129 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 134.99 156.0 7.57 Favored Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 111.325 -0.71 . . . . 0.69 111.325 -176.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -42.04 -46.47 7.03 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 124.043 3.162 . . . . 0.79 113.116 175.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -59.01 -35.46 73.3 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.995 -1.002 . . . . 3.03 110.876 -177.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -77.97 -68.66 0.61 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.273 -0.876 . . . . 2.45 110.035 -178.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.548 ' HG2' ' SG ' ' A' ' 30' ' ' CYS . 1.7 tm-20 40.65 88.75 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 O-C-N 124.588 1.18 . . . . 1.86 112.448 175.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -122.79 102.03 7.8 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.324 0.583 . . . . 2.14 110.366 -178.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -52.56 -47.52 66.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.682 -1.145 . . . . 2.02 111.808 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.7 tp -72.41 -35.3 68.34 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.213 0.449 . . . . 1.22 112.213 -171.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.4 mmmm -63.03 -44.68 95.25 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.737 -0.385 . . . . 2.32 110.779 177.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.596 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 62.1 m -66.91 -39.72 87.49 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 121.182 0.515 . . . . 1.33 109.692 175.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.7 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 58.9 t60 -55.09 -56.62 17.82 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.288 -0.869 . . . . 0.43 109.84 175.17 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -57.94 -38.64 76.33 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.112 -0.949 . . . . 0.54 112.017 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.502 ' CE1' HD11 ' A' ' 22' ' ' ILE . 7.9 t60 -55.9 -44.73 78.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.912 0.386 . . . . 0.52 110.366 176.209 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 35.2 m -75.87 -23.57 55.64 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.862 -0.608 . . . . 0.43 110.991 -178.099 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.7 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 27.9 mmmt -66.36 -32.78 74.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.37 0.605 . . . . 1.59 109.779 177.245 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.2 t -80.77 -4.37 54.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.231 -0.895 . . . . 1.93 110.534 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.526 HG21 ' HG2' ' A' ' 23' ' ' LYS . 43.2 mt -98.76 146.91 7.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 N-CA-C 109.702 -0.481 . . . . 1.17 109.702 177.394 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.526 ' HG2' HG21 ' A' ' 22' ' ' ILE . 5.5 ptmt -8.58 -93.3 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 115.407 1.632 . . . . 2.41 115.407 -173.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.26 26.7 4.12 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.382 -0.913 . . . . 0.64 112.464 -176.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.404 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 12.4 m-30 -61.9 153.89 27.78 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.999 0.428 . . . . 1.19 110.724 177.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.455 ' HB3' ' O ' ' A' ' 40' ' ' TYR . 54.1 tttp -89.52 -53.46 4.52 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.963 -0.562 . . . . 2.26 110.514 -177.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -160.08 -171.96 26.67 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.565 -0.826 . . . . 0.29 112.301 -179.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.583 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -154.78 162.98 31.09 Favored Glycine 0 C--O 1.227 -0.29 0 C-N-CA 120.22 -0.99 . . . . 0.35 113.147 -178.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.563 ' CE2' ' HD3' ' A' ' 38' ' ' LYS . 6.8 p90 -161.78 163.34 29.57 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.116 -0.327 . . . . 1.2 110.116 -178.166 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.677 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -76.68 101.14 5.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.816 0.341 . . . . 0.58 110.225 -178.472 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.444 ' HB2' ' CG2' ' A' ' 36' ' ' VAL . . . -65.98 -55.34 17.27 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 112.278 0.473 . . . . 1.05 112.278 -175.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -82.39 55.2 2.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.26 -0.427 . . . . 3.31 111.527 -176.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.57 -50.25 3.78 Favored Glycine 0 N--CA 1.45 -0.375 0 N-CA-C 111.9 -0.48 . . . . 1.69 111.9 178.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.532 ' HA2' ' CB ' ' A' ' 30' ' ' CYS . . . -177.85 23.63 0.05 OUTLIER Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 121.066 -0.588 . . . . 0.89 112.567 178.353 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -101.64 -54.85 2.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 117.532 0.666 . . . . 1.24 112.403 -176.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.677 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 1.4 m -99.85 152.18 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 C-N-CA 120.834 -0.346 . . . . 1.43 111.069 -174.075 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.3 m -99.43 88.21 3.82 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.027 -0.533 . . . . 1.27 109.808 172.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.591 ' HG2' ' N ' ' A' ' 39' ' ' CYS . 36.5 tttp -76.14 159.75 30.41 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.032 -0.729 . . . . 2.06 109.032 177.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.591 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 61.4 m -129.1 158.03 40.08 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 120.807 0.337 . . . . 0.36 110.222 -175.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.455 ' O ' ' HB3' ' A' ' 26' ' ' LYS . 25.1 p90 . . . . . 0 C--N 1.316 -0.876 0 CA-C-O 117.777 -1.106 . . . . 1.15 109.034 176.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 . . . . . 0 N--CA 1.47 0.557 0 CA-C-O 120.997 0.427 . . . . 1.21 111.645 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 157.95 -75.67 0.21 Allowed Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 111.553 -0.619 . . . . 0.95 111.553 -176.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.3 m -67.31 95.23 0.42 Allowed 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 120.931 0.396 . . . . 1.67 110.754 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.5 ' O ' ' HG3' ' A' ' 9' ' ' GLN . 28.3 m-80 -96.28 53.18 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.214 0.531 . . . . 1.77 110.656 179.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 92.89 158.16 34.11 Favored Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 120.594 -0.812 . . . . 0.69 111.207 -176.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -46.43 -40.84 23.14 Favored 'Trans proline' 0 CA--C 1.528 0.2 0 C-N-CA 124.047 3.165 . . . . 0.79 113.345 178.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -56.42 -31.19 63.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.746 -0.661 . . . . 3.03 110.722 -177.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.5 ' HG3' ' O ' ' A' ' 5' ' ' ASN . 0.3 OUTLIER -99.29 -63.45 1.12 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.169 -0.923 . . . . 2.45 109.592 -178.564 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 44.2 52.89 6.92 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 114.581 -1.191 . . . . 1.86 110.973 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.429 ' OD1' ' HB3' ' A' ' 9' ' ' GLN . 10.1 m-20 -71.6 87.73 0.93 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.588 -0.733 . . . . 2.14 110.652 -178.391 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -62.29 -58.63 7.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.379 -0.828 . . . . 2.02 112.381 -174.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 37.7 tp -72.49 -31.39 65.33 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.536 -0.302 . . . . 1.22 111.039 -174.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -42.13 97.72 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.205 -0.665 . . . . 2.32 109.205 178.158 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.5 t -62.79 -44.02 97.26 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.524 -0.762 . . . . 1.33 110.357 175.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.632 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 48.1 t60 -58.97 -49.36 78.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.466 -0.788 . . . . 0.43 110.355 175.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -58.83 -30.35 67.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.745 -0.661 . . . . 0.54 112.474 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.512 ' CE1' HD11 ' A' ' 22' ' ' ILE . 9.9 t60 -59.76 -51.2 70.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.921 0.391 . . . . 0.52 110.487 178.188 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.552 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 36.6 m -80.29 -10.78 59.76 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.127 -0.488 . . . . 0.43 111.742 -175.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.632 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 3.3 mmmp? -62.29 -33.28 74.35 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.089 0.471 . . . . 1.59 110.234 172.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.8 m -83.89 -15.54 47.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.829 -0.623 . . . . 1.93 111.437 -176.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.522 HG21 ' HG2' ' A' ' 23' ' ' LYS . 43.3 mt -87.37 142.8 12.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 121.121 -0.232 . . . . 1.17 110.424 -177.265 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.522 ' HG2' HG21 ' A' ' 22' ' ' ILE . 9.3 ptmt -3.76 -96.02 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 125.604 1.562 . . . . 2.41 115.159 -173.352 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -117.43 15.76 12.91 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.376 -0.916 . . . . 0.64 112.53 -175.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.552 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 9.0 m-30 -61.74 130.75 47.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.094 0.473 . . . . 1.19 110.225 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.411 ' HB3' ' O ' ' A' ' 40' ' ' TYR . 50.2 tttp -81.95 -40.08 22.76 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.723 -0.672 . . . . 2.26 110.918 -178.15 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -167.64 -177.12 38.85 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.591 -0.814 . . . . 0.29 111.957 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -155.38 143.73 10.21 Favored Glycine 0 N--CA 1.451 -0.349 0 N-CA-C 111.117 -0.793 . . . . 0.35 111.117 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -142.09 156.07 45.38 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 117.301 0.55 . . . . 1.2 111.537 -174.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.488 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 11.9 m -66.12 106.99 1.77 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.48 -0.782 . . . . 0.58 109.214 175.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.455 ' HB3' HG11 ' A' ' 36' ' ' VAL . . . -79.75 -42.01 25.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.929 0.395 . . . . 1.05 111.541 -172.119 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.9 mmtm -104.25 56.96 0.72 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.284 0.564 . . . . 3.31 110.515 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.29 -60.58 4.33 Favored Glycine 0 N--CA 1.443 -0.86 0 CA-C-N 115.489 -0.778 . . . . 1.69 112.274 175.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.488 ' HA2' ' HB3' ' A' ' 30' ' ' CYS . . . -168.77 34.46 0.19 Allowed Glycine 0 C--O 1.224 -0.49 0 C-N-CA 120.713 -0.756 . . . . 0.89 112.829 -176.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -122.48 -80.05 0.62 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.155 0.502 . . . . 1.24 111.036 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.455 HG11 ' HB3' ' A' ' 31' ' ' ALA . 2.0 p -73.63 136.08 26.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.594 -0.73 . . . . 1.43 111.262 -176.268 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.5 m -103.77 96.48 6.73 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.646 -0.706 . . . . 1.27 110.677 178.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.505 ' HD3' ' N ' ' A' ' 39' ' ' CYS . 1.6 tmtp? -85.28 142.07 29.64 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.846 -0.798 . . . . 2.06 108.846 175.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.505 ' N ' ' HD3' ' A' ' 38' ' ' LYS . 70.8 m -131.42 159.21 38.7 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 116.119 -0.491 . . . . 0.36 111.303 -175.117 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.411 ' O ' ' HB3' ' A' ' 26' ' ' LYS . 1.7 p90 . . . . . 0 C--O 1.243 0.729 0 CA-C-O 118.602 -0.713 . . . . 1.15 110.532 -173.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 . . . . . 0 N--CA 1.471 0.598 0 N-CA-C 112.844 0.683 . . . . 1.21 112.844 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.464 ' HA3' ' HB3' ' A' ' 14' ' ' LYS . . . 127.09 -54.02 0.78 Allowed Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.273 -0.965 . . . . 0.95 113.366 -177.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.478 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 67.6 m -58.2 -51.93 67.7 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 117.056 0.428 . . . . 1.67 110.295 179.084 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 43.83 49.0 7.0 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.971 0.73 . . . . 1.77 112.971 176.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 78.07 174.96 43.82 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.894 -0.669 . . . . 0.69 113.325 177.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.453 ' HD3' ' O ' ' A' ' 33' ' ' GLY . 3.7 Cg_endo -52.82 -30.91 49.29 Favored 'Trans proline' 0 N--CA 1.473 0.27 0 C-N-CA 124.13 3.22 . . . . 0.79 113.706 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -46.88 -41.76 16.34 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 124.03 0.932 . . . . 3.03 110.866 -176.193 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.47 -57.86 1.81 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.353 -0.84 . . . . 2.45 110.236 -178.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 56.36 51.17 11.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.345 0.593 . . . . 1.86 110.488 178.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.405 ' H ' ' HA ' ' A' ' 4' ' ' CYS . 53.1 m-20 -87.76 90.5 8.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.594 -0.73 . . . . 2.14 110.519 179.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -59.85 -40.8 89.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.661 -0.7 . . . . 2.02 111.671 -177.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.4 tp -64.01 -32.03 73.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.553 -0.294 . . . . 1.22 111.621 -173.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.464 ' HB3' ' HA3' ' A' ' 3' ' ' GLY . 2.5 tppt? -63.11 -43.87 97.25 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.612 -0.514 . . . . 2.32 109.612 176.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.454 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 75.2 m -73.0 -31.58 64.58 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.978 -0.555 . . . . 1.33 110.556 178.289 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.531 ' HA ' ' N ' ' A' ' 28' ' ' GLY . 57.4 t60 -55.96 -48.1 76.41 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.784 -0.821 . . . . 0.43 108.784 169.402 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -62.54 -44.72 95.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.411 -0.813 . . . . 0.54 111.3 176.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.44 ' CE1' HD13 ' A' ' 22' ' ' ILE . 29.1 t60 -59.44 -49.29 78.35 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.348 -0.387 . . . . 0.52 111.511 -178.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.656 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 77.1 m -63.93 -39.94 95.32 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.786 0.327 . . . . 0.43 110.671 -178.023 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -71.33 -20.37 62.19 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.037 0.446 . . . . 1.59 111.311 -179.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.4 t -77.64 -9.96 59.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.663 -0.698 . . . . 1.93 109.93 173.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.449 HG22 ' HG2' ' A' ' 23' ' ' LYS . 40.7 mt -101.64 138.57 25.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.867 -0.606 . . . . 1.17 110.228 177.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.449 ' HG2' HG22 ' A' ' 22' ' ' ILE . 1.1 ptpp? 13.1 -96.01 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.008 0 O-C-N 124.88 1.363 . . . . 2.41 114.438 -174.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.29 27.83 3.54 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.514 -0.851 . . . . 0.64 112.795 -176.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.656 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 13.7 m-30 -66.08 138.47 57.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.114 0.483 . . . . 1.19 110.091 177.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -84.77 -39.27 18.62 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.535 -0.757 . . . . 2.26 111.137 -172.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -159.27 178.25 35.49 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.23 -0.985 . . . . 0.29 112.391 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.531 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -153.7 148.99 20.37 Favored Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 111.452 -0.659 . . . . 0.35 111.452 178.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -156.19 159.94 39.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.892 0.346 . . . . 1.2 110.536 -176.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.503 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 3.9 m -68.76 115.67 8.38 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.47 -0.937 . . . . 0.58 108.47 176.097 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.427 ' HB2' HG13 ' A' ' 36' ' ' VAL . . . -88.2 -42.41 12.32 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.435 -0.506 . . . . 1.05 111.79 -172.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -133.33 73.29 1.51 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.92 0.391 . . . . 3.31 111.531 -175.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.453 ' O ' ' HD3' ' A' ' 7' ' ' PRO . . . 77.2 36.62 34.47 Favored Glycine 0 C--O 1.224 -0.479 0 C-N-CA 120.855 -0.688 . . . . 1.69 112.99 171.325 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.503 ' HA2' ' HB3' ' A' ' 30' ' ' CYS . . . 80.13 -14.51 20.88 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.492 -0.861 . . . . 0.89 113.346 176.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -69.47 -67.67 0.46 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.934 0.397 . . . . 1.24 111.081 -178.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.427 HG13 ' HB2' ' A' ' 31' ' ' ALA . 1.2 p -90.86 135.41 26.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.06 -0.518 . . . . 1.43 111.21 -177.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.478 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 68.7 m -106.24 99.18 8.77 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-O 121.721 0.772 . . . . 1.27 110.38 174.341 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.416 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 24.2 tptm -71.99 143.54 49.17 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 114.345 -1.298 . . . . 2.06 110.452 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.3 m -122.15 155.1 36.46 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.762 -0.829 . . . . 0.36 108.762 178.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 26.6 p90 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.759 -0.639 . . . . 1.15 110.056 -179.438 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 . . . . . 0 N--CA 1.456 -0.166 0 CA-C-O 121.021 0.439 . . . . 1.21 110.149 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 160.41 -62.02 0.29 Allowed Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.631 -0.795 . . . . 0.95 112.491 -178.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -78.44 95.88 5.24 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-O 120.898 0.38 . . . . 1.67 110.723 -179.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.458 ' HB2' ' HG3' ' A' ' 9' ' ' GLN . 17.6 m120 -101.48 40.67 1.27 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.257 0.551 . . . . 1.77 109.921 176.249 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 115.82 154.37 10.4 Favored Glycine 0 N--CA 1.443 -0.881 0 CA-C-N 115.69 -0.687 . . . . 0.69 111.464 -176.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.421 ' O ' ' HB2' ' A' ' 10' ' ' GLU . 2.7 Cg_exo -42.46 -45.88 7.98 Favored 'Trans proline' 0 CA--C 1.53 0.282 0 C-N-CA 124.561 3.507 . . . . 0.79 113.622 177.104 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -54.27 -34.83 61.7 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.576 0.703 . . . . 3.03 110.53 -179.05 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.458 ' HG3' ' HB2' ' A' ' 5' ' ' ASN . 28.7 mm-40 -86.28 -71.57 0.54 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.796 -1.093 . . . . 2.45 108.673 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 7' ' ' PRO . 8.0 tt0 47.07 41.81 11.82 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.312 -0.858 . . . . 1.86 111.965 177.001 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -73.89 92.65 2.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.16 0.505 . . . . 2.14 110.308 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -66.92 -45.03 79.14 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.186 -0.916 . . . . 2.02 111.145 -173.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 27.1 tp -65.85 -34.67 78.67 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.585 -0.734 . . . . 1.22 111.252 -176.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -58.34 -45.31 88.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.868 0.366 . . . . 2.32 110.421 175.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.0 t -67.59 -45.41 75.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.945 -0.57 . . . . 1.33 109.799 178.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.699 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 62.2 t60 -55.3 -51.58 66.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.331 -0.85 . . . . 0.43 110.282 176.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -57.97 -41.0 82.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.464 -0.789 . . . . 0.54 111.971 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.442 ' CE1' HD12 ' A' ' 22' ' ' ILE . 8.1 t60 -58.11 -46.51 85.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.862 0.363 . . . . 0.52 110.81 178.502 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.47 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 55.5 m -72.6 -17.88 61.65 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.125 -0.489 . . . . 0.43 111.149 -176.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.699 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 2.0 mmmp? -66.85 -33.29 75.28 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.336 0.588 . . . . 1.59 110.052 178.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.4 t -84.84 -0.39 53.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.469 -0.787 . . . . 1.93 111.066 -176.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.509 HG23 ' HG2' ' A' ' 23' ' ' LYS . 38.7 mt -98.97 139.8 19.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 110.345 -0.242 . . . . 1.17 110.345 179.248 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.509 ' HG2' HG23 ' A' ' 22' ' ' ILE . 0.1 OUTLIER 3.57 -99.07 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 125.45 1.5 . . . . 2.41 114.975 -174.883 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.08 28.79 5.28 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.74 -0.743 . . . . 0.64 112.29 -177.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.47 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 13.0 m-30 -66.63 152.02 46.18 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.305 0.574 . . . . 1.19 110.73 179.206 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.41 ' HB3' ' OXT' ' A' ' 40' ' ' TYR . 79.0 tttt -89.44 -48.5 7.29 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.27 -0.877 . . . . 2.26 110.302 -177.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -166.07 -167.26 26.44 Favored Glycine 0 N--CA 1.442 -0.948 0 C-N-CA 120.784 -0.722 . . . . 0.29 112.005 -179.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.526 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -152.63 163.69 30.45 Favored Glycine 0 N--CA 1.449 -0.491 0 N-CA-C 111.104 -0.798 . . . . 0.35 111.104 178.258 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -163.9 161.37 22.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.174 0.511 . . . . 1.2 111.046 -178.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.454 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 10.8 m -78.06 102.16 7.31 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.467 -0.788 . . . . 0.58 109.528 178.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.411 ' HB1' HG12 ' A' ' 36' ' ' VAL . . . -70.68 -40.9 72.66 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.119 0.415 . . . . 1.05 112.119 -169.441 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -99.25 51.47 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.113 0.482 . . . . 3.31 110.49 179.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.23 -62.03 4.38 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.783 -0.644 . . . . 1.69 111.561 176.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.454 ' HA2' ' HB3' ' A' ' 30' ' ' CYS . . . -164.4 26.98 0.2 Allowed Glycine 0 C--O 1.226 -0.373 0 C-N-CA 120.95 -0.643 . . . . 0.89 112.597 -177.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -109.81 -70.82 0.79 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.015 0.436 . . . . 1.24 111.53 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.411 HG12 ' HB1' ' A' ' 31' ' ' ALA . 2.3 p -85.69 135.03 25.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.895 -0.593 . . . . 1.43 111.79 -174.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.4 t -97.05 97.52 9.3 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.053 -0.976 . . . . 1.27 109.696 178.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.593 ' HG2' ' N ' ' A' ' 39' ' ' CYS . 66.8 tttt -95.76 161.18 14.13 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.764 -0.653 . . . . 2.06 109.992 178.429 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.593 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 56.6 m -121.71 156.94 32.01 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.563 -0.532 . . . . 0.36 109.563 178.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.41 ' OXT' ' HB3' ' A' ' 26' ' ' LYS . 29.0 p90 . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.742 -0.646 . . . . 1.15 109.459 178.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 . . . . . 0 N--CA 1.465 0.324 0 CA-C-O 121.07 0.462 . . . . 1.21 111.539 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 130.71 -40.4 1.66 Allowed Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.662 -0.78 . . . . 0.95 112.1 -178.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.704 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 91.9 m -69.27 -75.68 0.11 Allowed 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 110.505 -0.183 . . . . 1.67 110.505 177.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.9 m120 52.17 38.47 24.49 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 113.175 0.806 . . . . 1.77 113.175 171.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 100.07 171.2 29.83 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.404 -0.903 . . . . 0.69 113.234 177.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_endo -53.42 -41.78 70.5 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 124.257 3.305 . . . . 0.79 114.047 -178.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 6.1 m95 -62.9 -37.6 87.59 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.74 -0.664 . . . . 3.03 111.482 -172.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.704 ' HB2' ' O ' ' A' ' 4' ' ' CYS . 2.3 mt-30 -92.12 -72.58 0.58 Allowed 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.501 -0.555 . . . . 2.45 109.501 -175.13 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 45.57 55.6 6.53 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 123.958 0.786 . . . . 1.86 111.122 173.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -83.81 120.6 26.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.245 0.545 . . . . 2.14 110.371 -177.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -66.32 -55.39 16.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.057 -0.974 . . . . 2.02 111.621 -176.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.5 tp -73.76 -33.12 64.15 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.327 -0.397 . . . . 1.22 111.806 -171.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.29 -43.3 98.3 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.853 -0.339 . . . . 2.32 110.789 177.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.4 t -63.85 -43.04 97.34 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.203 -0.666 . . . . 1.33 109.203 176.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.644 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 43.1 t60 -56.99 -55.52 33.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.423 -0.808 . . . . 0.43 110.63 175.38 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -57.63 -34.66 69.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.549 -0.751 . . . . 0.54 112.049 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.538 ' CE1' HD12 ' A' ' 22' ' ' ILE . 14.9 t60 -60.3 -49.83 76.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.085 0.469 . . . . 0.52 110.297 177.042 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.576 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 36.8 m -67.74 -29.13 68.27 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.822 -0.626 . . . . 0.43 110.828 -178.217 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.644 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 2.4 mmmp? -54.57 -36.8 64.75 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.942 0.401 . . . . 1.59 110.799 178.34 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.7 m -86.75 -3.04 59.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.858 -0.61 . . . . 1.93 111.858 -175.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.538 HD12 ' CE1' ' A' ' 18' ' ' HIS . 39.3 mt -97.31 138.17 22.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 120.981 -0.287 . . . . 1.17 110.656 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.495 ' HG2' HG23 ' A' ' 22' ' ' ILE . 10.0 ptpt 7.73 -98.82 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.439 1.496 . . . . 2.41 114.833 -175.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -120.6 25.52 7.24 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.616 -0.802 . . . . 0.64 112.456 -176.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.576 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 10.4 m-30 -67.66 152.06 46.24 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.121 0.486 . . . . 1.19 110.834 179.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -104.43 -46.33 4.41 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.899 -0.591 . . . . 2.26 110.865 -177.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -152.66 -179.61 28.36 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.63 -0.795 . . . . 0.29 111.961 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.555 ' HA3' ' SG ' ' A' ' 19' ' ' CYS . . . -155.45 149.72 20.94 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.472 -0.87 . . . . 0.35 112.787 -177.521 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.462 ' CE2' ' HD3' ' A' ' 38' ' ' LYS . 6.6 p90 -158.11 151.16 22.88 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.052 0.453 . . . . 1.2 110.532 -177.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.516 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 23.3 m -70.57 115.14 9.4 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.887 -0.597 . . . . 0.58 109.904 179.332 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.14 -39.77 32.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.442 -0.345 . . . . 1.05 111.902 -174.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -127.38 73.17 1.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.531 -0.304 . . . . 3.31 111.45 -175.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 62.92 35.6 92.26 Favored Glycine 0 C--O 1.227 -0.306 0 C-N-CA 121.197 -0.525 . . . . 1.69 113.239 172.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.514 ' O ' ' HB3' ' A' ' 4' ' ' CYS . . . 80.89 -1.41 84.23 Favored Glycine 0 C--O 1.223 -0.57 0 C-N-CA 120.899 -0.667 . . . . 0.89 113.548 176.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -81.76 -9.66 59.57 Favored 'General case' 0 C--N 1.317 -0.805 0 O-C-N 122.014 -0.698 . . . . 1.24 111.277 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.516 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 1.6 p -150.26 130.68 4.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 120.989 0.423 . . . . 1.43 110.995 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.1 t -99.74 93.68 5.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.365 -0.834 . . . . 1.27 109.026 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.61 ' HG2' ' N ' ' A' ' 39' ' ' CYS . 75.6 tttt -82.01 163.07 22.37 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.712 -0.676 . . . . 2.06 110.338 -177.639 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.61 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 42.2 m -141.77 155.64 45.61 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.3 -0.409 . . . . 0.36 109.929 -176.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 27.0 p90 . . . . . 0 C--O 1.243 0.737 0 CA-C-O 117.606 -1.187 . . . . 1.15 109.227 177.922 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.523 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 68.5 m-85 . . . . . 0 N--CA 1.449 -0.49 0 CA-C-O 121.032 0.444 . . . . 1.21 110.229 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 103.22 -55.08 0.66 Allowed Glycine 0 N--CA 1.445 -0.742 0 N-CA-C 111.026 -0.83 . . . . 0.95 111.026 -178.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.458 ' HB2' ' O ' ' A' ' 34' ' ' GLY . 5.3 p -102.78 124.54 48.5 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-O 121.459 0.647 . . . . 1.67 110.229 174.536 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.424 ' H ' ' HB2' ' A' ' 9' ' ' GLN . 35.0 m-80 -110.02 21.73 16.46 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.034 -0.985 . . . . 1.77 111.069 -177.187 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 139.72 174.13 13.54 Favored Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 111.064 -0.814 . . . . 0.69 111.064 -174.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -50.75 -48.63 19.79 Favored 'Trans proline' 0 N--CA 1.472 0.214 0 C-N-CA 123.43 2.754 . . . . 0.79 113.246 -178.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -78.21 -16.22 58.07 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.673 -0.694 . . . . 3.03 110.549 -176.271 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.424 ' HB2' ' H ' ' A' ' 5' ' ' ASN . 7.8 mm100 -99.75 -5.48 28.63 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.538 -0.755 . . . . 2.45 109.983 -177.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.421 ' HA ' ' CB ' ' A' ' 4' ' ' CYS . 1.5 tm-20 -52.83 104.2 0.09 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.862 -1.063 . . . . 1.86 112.2 -176.391 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -122.46 105.65 10.34 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.796 -0.816 . . . . 2.14 108.796 174.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -62.42 -46.44 88.54 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.222 -0.899 . . . . 2.02 111.863 -172.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.0 tp -67.98 -36.76 80.57 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.71 -0.396 . . . . 1.22 111.472 -176.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -62.35 -42.54 99.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.623 0.249 . . . . 2.32 110.714 176.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.6 t -64.07 -46.12 85.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.339 0.59 . . . . 1.33 109.544 175.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.654 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 58.5 t60 -54.73 -51.65 64.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.269 -0.878 . . . . 0.43 110.415 176.297 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -61.17 -33.75 73.93 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.531 -0.758 . . . . 0.54 112.281 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.408 ' NE2' HD12 ' A' ' 22' ' ' ILE . 16.3 t60 -59.32 -44.72 92.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.018 0.437 . . . . 0.52 109.985 177.227 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.461 ' SG ' ' HA3' ' A' ' 28' ' ' GLY . 50.3 m -75.18 -17.25 60.42 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.813 -0.631 . . . . 0.43 111.289 -177.516 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.654 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 1.7 mmmp? -71.46 -37.18 71.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.199 0.523 . . . . 1.59 109.945 178.107 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.1 m -77.59 -11.0 59.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.346 -0.843 . . . . 1.93 111.378 -178.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.525 HG21 ' HG2' ' A' ' 23' ' ' LYS . 44.4 mt -90.27 141.65 14.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 109.759 -0.46 . . . . 1.17 109.759 177.42 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.525 ' HG2' HG21 ' A' ' 22' ' ' ILE . 6.4 ptpt 13.58 -91.04 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.15 0 O-C-N 124.989 1.431 . . . . 2.41 113.406 -175.41 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -157.7 48.33 0.45 Allowed Glycine 0 N--CA 1.438 -1.229 0 C-N-CA 120.089 -1.053 . . . . 0.64 112.436 173.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.436 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 78.6 m-85 -59.56 168.62 1.55 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.476 0.655 . . . . 1.19 111.388 172.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -89.43 -47.24 8.14 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.431 -0.804 . . . . 2.26 109.86 178.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -169.57 -172.87 36.62 Favored Glycine 0 N--CA 1.442 -0.934 0 CA-C-N 115.516 -0.766 . . . . 0.29 111.79 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.461 ' HA3' ' SG ' ' A' ' 19' ' ' CYS . . . -144.77 155.83 26.6 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.548 -0.834 . . . . 0.35 112.039 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -152.52 150.92 30.09 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.026 0.441 . . . . 1.2 110.143 178.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.581 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 4.7 m -80.85 112.65 18.43 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 109.426 -0.583 . . . . 0.58 109.426 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.62 -41.15 63.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.128 -0.487 . . . . 1.05 111.943 -170.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -120.27 72.76 0.96 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.246 0.462 . . . . 3.31 112.246 -173.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 73.75 37.82 50.99 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.696 -0.764 . . . . 1.69 113.105 168.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.458 ' O ' ' HB2' ' A' ' 4' ' ' CYS . . . 77.26 10.53 86.2 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.692 -0.765 . . . . 0.89 113.184 178.065 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -90.39 -63.18 1.31 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 117.062 0.431 . . . . 1.24 111.876 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.581 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 2.5 p -99.87 127.21 52.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.17 0.51 . . . . 1.43 111.88 -175.348 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.523 ' HB3' ' HB2' ' A' ' 2' ' ' PHE . 44.5 t -91.39 98.03 11.45 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.197 -0.91 . . . . 1.27 109.773 179.088 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.1 tmtm? -91.22 146.43 23.83 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.679 -0.691 . . . . 2.06 109.512 177.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.1 m -117.92 153.05 34.24 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.288 -0.414 . . . . 0.36 110.599 -174.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 18.2 p90 . . . . . 0 C--O 1.251 1.172 0 CA-C-O 118.864 -0.589 . . . . 1.15 109.798 -178.888 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 . . . . . 0 N--CA 1.463 0.19 0 CA-C-O 121.355 0.598 . . . . 1.21 111.632 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.45 -19.25 55.18 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.857 -0.687 . . . . 0.95 113.084 176.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.731 ' SG ' ' HG2' ' A' ' 10' ' ' GLU . 11.4 t -94.26 -57.53 2.48 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.627 -0.429 . . . . 1.67 110.212 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.3 m120 70.41 -42.54 0.52 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.13 0.972 . . . . 1.77 113.566 170.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 178.19 172.27 42.43 Favored Glycine 0 N--CA 1.441 -1.03 0 N-CA-C 110.617 -0.993 . . . . 0.69 110.617 -177.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -52.35 -41.02 69.17 Favored 'Trans proline' 0 CA--C 1.528 0.208 0 C-N-CA 123.043 2.495 . . . . 0.79 112.714 -177.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -72.84 -32.41 65.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.107 -0.497 . . . . 3.03 111.025 -176.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.651 ' HB2' ' O ' ' A' ' 4' ' ' CYS . 4.3 mt-30 -93.6 -13.12 28.05 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.151 -0.477 . . . . 2.45 110.64 -173.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.731 ' HG2' ' SG ' ' A' ' 4' ' ' CYS . 1.2 tm-20 -45.84 117.68 1.57 Allowed 'General case' 0 C--O 1.236 0.36 0 O-C-N 124.018 0.824 . . . . 1.86 111.255 -178.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -85.76 -93.78 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.035 -0.984 . . . . 2.14 110.791 -177.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.3 t70 177.44 -64.06 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.214 -0.662 . . . . 2.02 109.214 -179.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.0 tp -104.91 -18.72 14.1 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 114.98 -1.009 . . . . 1.22 111.004 -172.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.2 mmmt -56.14 -41.98 76.22 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 111.657 0.243 . . . . 2.32 111.657 -179.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 32.3 t -64.83 -43.79 91.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.232 0.539 . . . . 1.33 109.701 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.618 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 48.7 t60 -59.81 -52.74 64.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.66 -0.7 . . . . 0.43 110.249 176.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -57.46 -38.06 73.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.385 -0.825 . . . . 0.54 112.235 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.489 ' CE1' HD12 ' A' ' 22' ' ' ILE . 8.3 t60 -55.02 -42.9 73.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.309 0.576 . . . . 0.52 110.723 178.496 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.502 ' SG ' ' HA3' ' A' ' 28' ' ' GLY . 19.9 m -76.75 -16.63 59.43 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.809 -0.632 . . . . 0.43 110.862 -177.408 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.618 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 1.7 mmmp? -76.35 -26.18 55.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.934 0.397 . . . . 1.59 110.642 -178.151 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.6 p -89.47 -0.93 57.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.195 -0.457 . . . . 1.93 111.382 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.489 HD12 ' CE1' ' A' ' 18' ' ' HIS . 28.6 mt -100.04 149.13 6.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.523 -0.547 . . . . 1.17 109.523 175.194 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.466 ' HG2' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -2.29 -86.13 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.122 1.369 . . . . 2.41 114.405 -175.873 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -150.46 41.1 0.81 Allowed Glycine 0 N--CA 1.441 -1.011 0 C-N-CA 119.353 -1.404 . . . . 0.64 113.564 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.434 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 90.5 m-85 -68.27 145.95 53.77 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 120.358 -0.537 . . . . 1.19 109.917 170.554 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -84.01 -40.55 18.28 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.504 -0.771 . . . . 2.26 110.513 -175.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -164.82 -175.12 35.28 Favored Glycine 0 N--CA 1.439 -1.144 0 C-N-CA 120.469 -0.872 . . . . 0.29 111.844 -179.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.502 ' HA3' ' SG ' ' A' ' 19' ' ' CYS . . . -151.34 142.17 9.26 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.529 -0.843 . . . . 0.35 112.834 -178.122 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.76 ' HH ' ' HZ2' ' A' ' 38' ' ' LYS . 2.5 p90 -143.57 147.36 34.31 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.183 0.516 . . . . 1.2 110.16 -179.259 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.465 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 25.3 m -72.45 112.68 8.73 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.667 -0.697 . . . . 0.58 109.852 -177.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.0 -42.41 60.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.916 -0.584 . . . . 1.05 111.926 -168.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -123.71 68.45 1.03 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.821 0.343 . . . . 3.31 110.637 -176.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.33 -47.52 3.76 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.886 -0.673 . . . . 1.69 112.784 174.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.69 ' HA2' ' SG ' ' A' ' 4' ' ' CYS . . . 172.72 -27.14 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.474 -0.87 . . . . 0.89 112.486 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -52.34 -47.12 66.25 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.157 0.503 . . . . 1.24 111.807 -176.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -110.55 128.86 66.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.851 -0.613 . . . . 1.43 111.278 -175.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 50.7 t -102.04 95.56 6.43 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.355 -0.838 . . . . 1.27 108.769 177.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.76 ' HZ2' ' HH ' ' A' ' 29' ' ' TYR . 66.8 tttt -84.44 157.75 21.28 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.664 -0.698 . . . . 2.06 110.397 -177.257 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.548 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 54.6 m -132.74 156.97 46.07 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.03 -0.532 . . . . 0.36 109.864 -176.141 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 15.2 p90 . . . . . 0 C--O 1.241 0.653 0 CA-C-O 118.317 -0.849 . . . . 1.15 110.057 -179.873 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 . . . . . 0 CA--C 1.522 -0.102 0 CA-C-O 121.641 0.734 . . . . 1.21 110.337 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 136.0 -68.08 0.53 Allowed Glycine 0 N--CA 1.444 -0.774 0 CA-C-N 114.747 -1.115 . . . . 0.95 110.446 -176.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.764 ' SG ' ' HA ' ' A' ' 10' ' ' GLU . 3.2 m -70.33 102.14 2.08 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-O 121.624 0.726 . . . . 1.67 110.85 175.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -103.23 27.68 7.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.205 -0.907 . . . . 1.77 110.588 178.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 126.38 170.12 12.9 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 111.187 -0.765 . . . . 0.69 111.187 -174.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -47.32 -43.86 25.63 Favored 'Trans proline' 0 CA--C 1.532 0.413 0 C-N-CA 123.706 2.938 . . . . 0.79 113.337 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.7 m95 -75.62 -14.69 60.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.284 0.564 . . . . 3.03 111.129 -175.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -108.97 -3.26 17.64 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.362 -0.835 . . . . 2.45 109.91 -173.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.764 ' HA ' ' SG ' ' A' ' 4' ' ' CYS . 4.3 tm-20 -48.51 114.8 1.04 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.673 -1.149 . . . . 1.86 112.001 -177.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -141.47 114.34 8.5 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.445 -0.798 . . . . 2.14 109.466 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -65.3 -42.97 92.55 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.386 -0.825 . . . . 2.02 111.522 -176.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.6 tp -70.64 -36.36 73.38 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.918 -0.583 . . . . 1.22 112.005 -170.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm -62.2 -46.6 88.2 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.928 -0.309 . . . . 2.32 111.007 177.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.4 m -67.21 -37.0 82.89 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.135 0.493 . . . . 1.33 109.794 176.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.637 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 61.9 t60 -59.05 -53.38 58.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.596 -0.729 . . . . 0.43 110.185 175.295 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -57.69 -37.51 73.6 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.165 -0.925 . . . . 0.54 111.829 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.523 ' CE1' HD12 ' A' ' 22' ' ' ILE . 11.9 t60 -57.61 -46.89 83.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.981 0.42 . . . . 0.52 110.455 176.276 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.469 ' SG ' ' HA3' ' A' ' 28' ' ' GLY . 37.9 m -73.41 -20.67 60.68 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.07 -0.514 . . . . 0.43 111.168 -177.232 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.637 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 1.9 mmmp? -64.63 -26.24 68.31 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.343 0.592 . . . . 1.59 110.064 176.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.2 t -87.87 -6.97 57.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.461 -0.79 . . . . 1.93 111.038 -178.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.523 HD12 ' CE1' ' A' ' 18' ' ' HIS . 26.0 mt -102.61 140.44 20.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 120.822 -0.351 . . . . 1.17 110.739 -178.46 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.495 ' HG2' HG22 ' A' ' 22' ' ' ILE . 1.8 ptpp? -1.05 -102.32 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 115.478 1.658 . . . . 2.41 115.478 -175.473 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -114.82 27.3 8.8 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.464 -0.874 . . . . 0.64 112.46 -176.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.9 m-30 -74.31 131.62 41.33 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.899 0.38 . . . . 1.19 110.09 178.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -80.4 -40.95 25.47 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.868 -0.605 . . . . 2.26 111.053 -175.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -162.54 -174.84 32.92 Favored Glycine 0 N--CA 1.439 -1.159 0 C-N-CA 120.611 -0.804 . . . . 0.29 111.819 -178.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.553 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -148.57 146.62 16.33 Favored Glycine 0 N--CA 1.444 -0.833 0 C-N-CA 120.79 -0.719 . . . . 0.35 111.964 -178.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -144.71 147.85 33.49 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.983 0.421 . . . . 1.2 109.931 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.667 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 3.3 m -78.13 105.24 9.22 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.492 -0.559 . . . . 0.58 109.492 -179.279 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.19 -57.32 4.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.892 -0.594 . . . . 1.05 111.702 -171.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -97.74 63.38 1.7 Allowed 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 112.243 0.46 . . . . 3.31 112.243 -173.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.99 45.55 8.25 Favored Glycine 0 CA--C 1.51 -0.255 0 C-N-CA 120.445 -0.883 . . . . 1.69 113.448 166.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.655 ' C ' ' HB3' ' A' ' 4' ' ' CYS . . . 65.88 45.38 88.53 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.81 -0.709 . . . . 0.89 112.812 -179.631 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -125.51 -72.17 0.67 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.75 0.309 . . . . 1.24 111.247 177.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.667 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 2.4 p -84.12 129.87 36.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.105 -0.498 . . . . 1.43 111.455 -177.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 69.4 m -87.39 81.7 7.77 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.68 -0.691 . . . . 1.27 109.98 176.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.461 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 21.4 tptm -68.34 138.24 55.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.01 -0.541 . . . . 2.06 110.124 178.292 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.5 m -116.34 155.09 29.06 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.822 -0.627 . . . . 0.36 110.145 -176.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 15.1 p90 . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.49 -0.767 . . . . 1.15 110.779 -178.373 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 . . . . . 0 CA--C 1.523 -0.085 0 CA-C-O 121.359 0.599 . . . . 1.21 110.637 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 95.15 -56.42 1.78 Allowed Glycine 0 N--CA 1.444 -0.823 0 CA-C-N 115.316 -0.856 . . . . 0.95 111.553 -179.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.49 ' SG ' ' HA ' ' A' ' 10' ' ' GLU . 30.7 m -84.1 86.48 7.21 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-O 121.713 0.768 . . . . 1.67 111.173 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.44 ' H ' ' HB2' ' A' ' 9' ' ' GLN . 56.2 m-20 -102.62 36.46 2.17 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.763 -1.108 . . . . 1.77 109.263 173.463 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 121.66 153.99 9.09 Favored Glycine 0 N--CA 1.442 -0.952 0 N-CA-C 110.509 -1.037 . . . . 0.69 110.509 -171.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -44.7 -37.9 12.0 Favored 'Trans proline' 0 N--CA 1.476 0.451 0 C-N-CA 123.948 3.099 . . . . 0.79 113.928 178.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -67.62 -30.38 69.94 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.465 0.65 . . . . 3.03 110.385 -178.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.44 ' HB2' ' H ' ' A' ' 5' ' ' ASN . 33.8 mm-40 -90.24 -17.91 26.63 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.212 -0.904 . . . . 2.45 110.028 -178.063 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.49 ' HA ' ' SG ' ' A' ' 4' ' ' CYS . 17.3 tt0 -37.77 112.24 0.2 Allowed 'General case' 0 C--O 1.235 0.323 0 O-C-N 124.717 1.261 . . . . 1.86 112.792 -171.095 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -129.41 109.94 11.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.649 -0.705 . . . . 2.14 109.573 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -59.25 -51.23 70.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.892 -1.049 . . . . 2.02 112.0 -176.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.427 ' HG ' ' ND2' ' A' ' 17' ' ' ASN . 20.1 tp -74.8 -34.41 62.39 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.936 -0.574 . . . . 1.22 111.917 -171.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.1 tppt? -59.91 -43.89 94.59 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 121.126 -0.23 . . . . 2.32 110.615 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.9 t -67.29 -44.98 77.92 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.616 -0.513 . . . . 1.33 109.616 178.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.687 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 55.1 t60 -54.97 -52.23 63.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.654 -0.703 . . . . 0.43 110.126 175.289 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.427 ' ND2' ' HG ' ' A' ' 13' ' ' LEU . 82.4 m-20 -59.27 -38.59 80.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.48 -0.782 . . . . 0.54 111.948 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.527 ' CE1' HD11 ' A' ' 22' ' ' ILE . 12.9 t60 -60.22 -44.6 95.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.919 0.39 . . . . 0.52 110.754 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.577 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 44.1 m -73.43 -24.4 60.24 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.076 -0.511 . . . . 0.43 111.248 -177.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.687 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 2.5 mmmp? -57.62 -37.02 72.58 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.02 0.438 . . . . 1.59 111.037 -178.63 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 42.0 m -93.18 1.15 57.24 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.737 -0.665 . . . . 1.93 112.095 -174.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.54 HG21 ' HG2' ' A' ' 23' ' ' LYS . 52.3 mt -92.08 135.06 28.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.656 -0.418 . . . . 1.17 110.061 176.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.54 ' HG2' HG21 ' A' ' 22' ' ' ILE . 8.6 ptmt 11.85 -93.84 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.264 1.426 . . . . 2.41 114.473 -172.37 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -128.74 28.29 4.21 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.897 -0.668 . . . . 0.64 111.85 -179.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.577 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 14.3 m-30 -68.1 146.38 53.52 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.297 0.57 . . . . 1.19 110.839 178.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.5 ttpp -92.62 -49.86 5.89 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.26 -0.882 . . . . 2.26 111.03 -175.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -153.97 -177.84 27.81 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.635 -0.793 . . . . 0.29 111.479 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.549 ' HA3' ' SG ' ' A' ' 19' ' ' CYS . . . -150.16 144.83 12.4 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.304 -0.951 . . . . 0.35 112.634 -179.664 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.435 ' O ' ' HD2' ' A' ' 29' ' ' TYR . 0.1 OUTLIER -147.53 153.13 39.11 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.423 0.63 . . . . 1.2 111.072 178.621 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.623 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 32.3 m -84.15 101.93 12.2 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.636 -0.711 . . . . 0.58 109.906 -176.047 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.57 -52.99 58.65 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 115.261 -0.881 . . . . 1.05 111.995 -168.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -90.85 50.65 1.83 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.33 0.586 . . . . 3.31 110.345 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 85.34 -66.11 3.87 Favored Glycine 0 N--CA 1.441 -0.98 0 N-CA-C 110.976 -0.85 . . . . 1.69 110.976 176.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.466 ' HA2' ' HB3' ' A' ' 30' ' ' CYS . . . -167.45 32.14 0.2 Allowed Glycine 0 N--CA 1.444 -0.789 0 CA-C-N 114.914 -0.643 . . . . 0.89 112.075 -177.486 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -108.02 -30.12 8.62 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.73 0.3 . . . . 1.24 111.484 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.623 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 2.2 p -131.97 135.35 58.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.116 -0.493 . . . . 1.43 110.805 -175.665 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 39.9 t -97.87 94.38 6.87 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.186 -0.672 . . . . 1.27 109.186 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.4 tptt -84.49 141.0 31.07 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.49 -0.777 . . . . 2.06 110.281 -179.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 36.9 m -124.06 156.89 35.75 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.746 -0.661 . . . . 0.36 109.84 -177.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.4 p90 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.861 -0.59 . . . . 1.15 109.694 -179.37 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 . . . . . 0 CA--C 1.519 -0.222 0 CA-C-O 121.304 0.573 . . . . 1.21 110.129 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 86.38 -50.07 4.17 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.513 -0.767 . . . . 0.95 111.516 -177.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.876 ' SG ' ' HA2' ' A' ' 34' ' ' GLY . 5.9 t -81.04 109.89 16.04 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.713 -0.847 . . . . 1.67 108.713 175.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -119.2 21.86 12.08 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.868 -0.605 . . . . 1.77 111.006 -174.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 139.27 179.75 17.82 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.695 -0.764 . . . . 0.69 111.579 -175.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -48.41 -59.0 1.41 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 123.673 2.915 . . . . 0.79 113.116 -178.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -70.97 -26.05 62.99 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.471 0.653 . . . . 3.03 110.614 -176.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -89.18 -1.18 57.98 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.262 -0.881 . . . . 2.45 111.267 -175.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.816 ' HA ' ' SG ' ' A' ' 4' ' ' CYS . 9.9 mt-10 -53.22 126.36 20.7 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.449 0.642 . . . . 1.86 112.561 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -140.95 98.05 3.31 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.016 -0.993 . . . . 2.14 108.56 174.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -53.54 -43.12 68.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.884 -1.053 . . . . 2.02 112.01 -173.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.8 tp -72.68 -31.37 64.99 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.254 -0.43 . . . . 1.22 111.653 -174.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -64.11 -45.6 87.88 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.88 -0.328 . . . . 2.32 110.458 177.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 74.7 m -63.39 -43.62 97.05 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.295 -0.631 . . . . 1.33 109.295 175.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.68 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 48.3 t60 -55.75 -55.06 36.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.988 -1.006 . . . . 0.43 110.45 177.008 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -57.8 -35.99 71.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.521 -0.763 . . . . 0.54 112.206 -178.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.525 ' CE1' HD13 ' A' ' 22' ' ' ILE . 14.8 t60 -62.16 -45.2 94.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.061 0.458 . . . . 0.52 110.359 178.394 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.589 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 35.4 m -71.27 -27.08 63.19 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.93 -0.577 . . . . 0.43 110.71 -177.579 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.68 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 2.4 mmmp? -58.91 -35.65 73.42 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.979 0.418 . . . . 1.59 111.082 -178.453 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.0 m -85.26 -4.02 59.02 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.046 -0.525 . . . . 1.93 111.507 -175.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.525 HD13 ' CE1' ' A' ' 18' ' ' HIS . 36.4 mt -99.95 136.67 30.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.575 0.226 . . . . 1.17 110.894 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.516 ' HG2' HG23 ' A' ' 22' ' ' ILE . 13.0 ptpt 13.05 -100.34 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.059 0 O-C-N 125.086 1.491 . . . . 2.41 114.597 -176.138 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.54 26.13 5.79 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 121.11 -0.566 . . . . 0.64 112.608 -176.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.589 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 13.6 m-30 -65.0 143.24 58.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.112 0.482 . . . . 1.19 110.459 178.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -90.56 -44.38 9.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.715 -0.675 . . . . 2.26 110.303 -178.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -160.58 -174.0 29.85 Favored Glycine 0 N--CA 1.437 -1.28 0 C-N-CA 120.355 -0.926 . . . . 0.29 112.177 -178.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.565 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -154.86 160.24 29.55 Favored Glycine 0 N--CA 1.443 -0.892 0 N-CA-C 111.55 -0.62 . . . . 0.35 111.55 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.9 p90 -160.67 158.37 28.69 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 110.238 -0.282 . . . . 1.2 110.238 -177.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.573 ' SG ' ' HG2' ' A' ' 10' ' ' GLU . 5.6 m -71.81 115.9 11.56 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.032 -0.729 . . . . 0.58 109.032 177.075 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.1 -39.0 14.94 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.036 0.445 . . . . 1.05 111.905 -172.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.438 ' HE3' ' HA ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -129.64 71.54 1.44 Allowed 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 120.843 -0.343 . . . . 3.31 111.87 -176.692 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 69.32 39.36 81.54 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.715 -0.755 . . . . 1.69 112.408 171.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.876 ' HA2' ' SG ' ' A' ' 4' ' ' CYS . . . 75.02 -4.49 38.64 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.851 -0.69 . . . . 0.89 113.9 178.096 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -80.4 -12.69 59.54 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.937 0.369 . . . . 1.24 111.654 -176.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 1.5 p -152.12 132.16 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.95 0.405 . . . . 1.43 111.659 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 99.9 m -96.78 92.38 6.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.619 -0.719 . . . . 1.27 109.781 174.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.553 ' HG2' ' N ' ' A' ' 39' ' ' CYS . 40.1 tttp -73.29 159.78 32.86 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.725 -0.472 . . . . 2.06 109.725 177.131 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.553 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 56.2 m -127.82 158.62 37.24 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.791 -0.448 . . . . 0.36 109.791 -178.396 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 18.8 p90 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.733 -0.651 . . . . 1.15 109.655 179.764 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.462 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 93.4 m-85 . . . . . 0 N--CA 1.452 -0.349 0 CA-C-O 121.156 0.503 . . . . 1.21 110.708 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.495 ' HA3' ' HG2' ' A' ' 14' ' ' LYS . . . 108.6 -56.56 0.46 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.72 -0.752 . . . . 0.95 113.672 175.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.782 ' SG ' ' HA2' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -58.45 -61.86 2.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 119.684 -0.198 . . . . 1.67 111.145 -177.261 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 17.2 m120 57.09 31.89 20.75 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 120.959 0.409 . . . . 1.77 111.887 175.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 97.5 168.91 32.77 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.542 -0.837 . . . . 0.69 112.666 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -52.31 -36.7 69.24 Favored 'Trans proline' 0 N--CA 1.475 0.392 0 C-N-CA 124.38 3.387 . . . . 0.79 114.171 -177.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 3.4 m95 -54.54 -41.97 70.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.682 -0.69 . . . . 3.03 111.293 -173.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.3 -61.47 1.48 Allowed 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.956 -0.757 . . . . 2.45 108.956 -179.129 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.655 ' HA ' ' SG ' ' A' ' 4' ' ' CYS . 13.4 tt0 50.9 57.0 7.13 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.916 -1.038 . . . . 1.86 112.129 172.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.554 ' H ' ' HA ' ' A' ' 4' ' ' CYS . 6.2 t70 -82.63 89.61 6.73 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.049 -0.722 . . . . 2.14 109.049 173.094 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.606 ' HA ' ' SG ' ' A' ' 30' ' ' CYS . 16.3 t70 -67.24 -36.73 82.25 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.825 -0.625 . . . . 2.02 111.053 -174.427 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 25.2 tp -65.57 -34.22 77.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.872 -0.604 . . . . 1.22 111.106 -178.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.495 ' HG2' ' HA3' ' A' ' 3' ' ' GLY . 4.6 tppt? -60.29 -43.21 96.46 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 110.011 -0.366 . . . . 2.32 110.011 176.503 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 71.1 m -58.67 -46.54 86.99 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 121.228 0.537 . . . . 1.33 109.795 175.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.679 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 70.8 t60 -57.58 -55.58 32.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.25 -0.886 . . . . 0.43 110.355 176.448 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -57.63 -36.06 71.32 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.64 -0.709 . . . . 0.54 112.069 -178.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.474 ' CE1' HD11 ' A' ' 22' ' ' ILE . 19.9 t60 -60.64 -48.15 83.08 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.694 0.283 . . . . 0.52 110.983 178.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.467 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 34.2 m -70.32 -23.45 62.84 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.379 -0.373 . . . . 0.43 111.072 -176.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.679 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 1.9 mmmp? -60.49 -33.46 72.64 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.98 0.419 . . . . 1.59 111.302 -178.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.4 m -95.05 4.53 53.64 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.005 -0.543 . . . . 1.93 111.673 -175.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.476 HG21 ' HG2' ' A' ' 23' ' ' LYS . 43.5 mt -95.96 135.52 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 110.223 -0.288 . . . . 1.17 110.223 176.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.476 ' HG2' HG21 ' A' ' 22' ' ' ILE . 1.1 ptpp? 12.75 -92.45 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.007 0 O-C-N 125.072 1.483 . . . . 2.41 114.623 -174.179 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.47 26.69 3.47 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.626 -0.797 . . . . 0.64 112.702 -177.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.467 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 13.3 m-30 -63.95 153.98 35.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.349 0.595 . . . . 1.19 110.982 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.449 ' HB3' ' O ' ' A' ' 40' ' ' TYR . 77.0 tttt -89.74 -46.34 8.67 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.38 -0.827 . . . . 2.26 110.374 -178.606 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -168.12 -167.63 29.06 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.773 -0.727 . . . . 0.29 112.137 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -152.93 166.33 31.4 Favored Glycine 0 N--CA 1.446 -0.687 0 N-CA-C 111.38 -0.688 . . . . 0.35 111.38 178.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.401 ' CE2' ' HD3' ' A' ' 38' ' ' LYS . 12.8 p90 -163.11 157.61 20.88 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.842 0.353 . . . . 1.2 110.4 -179.728 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.606 ' SG ' ' HA ' ' A' ' 12' ' ' ASP . 35.5 m -77.47 106.73 9.43 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.337 -0.616 . . . . 0.58 109.337 176.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.27 -45.95 18.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.291 -0.413 . . . . 1.05 111.929 -171.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -105.76 50.15 0.79 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.505 -0.316 . . . . 3.31 111.117 -176.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.41 38.42 93.54 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.694 -0.765 . . . . 1.69 112.815 174.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.782 ' HA2' ' SG ' ' A' ' 4' ' ' CYS . . . 99.51 -14.65 60.61 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.562 -0.827 . . . . 0.89 113.412 176.389 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -76.36 -9.66 58.81 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 112.296 0.48 . . . . 1.24 112.296 -176.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.516 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 3.5 p -159.62 135.53 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.187 0.518 . . . . 1.43 111.745 -177.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.462 ' SG ' ' HB2' ' A' ' 2' ' ' PHE . 66.0 m -99.56 90.77 4.61 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.129 -0.942 . . . . 1.27 109.251 175.693 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.553 ' HG2' ' N ' ' A' ' 39' ' ' CYS . 38.9 tttp -78.44 158.59 28.63 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.455 -0.572 . . . . 2.06 109.455 178.331 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.553 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 35.2 m -125.63 153.04 44.37 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.497 -0.557 . . . . 0.36 109.497 -178.536 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.449 ' O ' ' HB3' ' A' ' 26' ' ' LYS . 21.4 p90 . . . . . 0 C--O 1.246 0.899 0 CA-C-O 118.071 -0.966 . . . . 1.15 109.387 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 . . . . . 0 N--CA 1.465 0.296 0 CA-C-O 120.965 0.412 . . . . 1.21 111.936 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.415 ' HA3' ' HB3' ' A' ' 14' ' ' LYS . . . 88.09 -38.36 3.19 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.73 -0.748 . . . . 0.95 112.986 175.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.861 ' SG ' ' HA2' ' A' ' 34' ' ' GLY . 35.9 t -81.14 -42.27 21.16 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.014 -0.365 . . . . 1.67 110.014 178.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 65.0 -39.31 0.26 Allowed 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 115.517 1.673 . . . . 1.77 115.517 170.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.432 ' C ' ' HA3' ' A' ' 34' ' ' GLY . . . 173.3 -177.06 45.88 Favored Glycine 0 N--CA 1.443 -0.837 0 N-CA-C 111.558 -0.617 . . . . 0.69 111.558 -173.347 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -61.63 -43.15 28.25 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 122.738 2.292 . . . . 0.79 112.421 -175.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -73.79 -28.09 61.47 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.32 -0.855 . . . . 3.03 110.706 -175.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.496 ' HB2' ' O ' ' A' ' 4' ' ' CYS . 10.3 mm100 -98.58 -4.09 34.86 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.261 -0.881 . . . . 2.45 110.921 -171.451 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.768 ' HG2' ' SG ' ' A' ' 4' ' ' CYS . 0.8 OUTLIER -46.87 97.52 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 O-C-N 124.289 0.993 . . . . 1.86 113.45 -174.103 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -114.25 111.16 21.08 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.837 -0.801 . . . . 2.14 108.837 170.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -61.83 -39.46 91.87 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.295 -0.866 . . . . 2.02 111.784 -173.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.428 ' HG ' ' ND2' ' A' ' 17' ' ' ASN . 23.8 tp -71.39 -39.61 71.06 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 120.748 -0.381 . . . . 1.22 111.192 -176.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.415 ' HB3' ' HA3' ' A' ' 3' ' ' GLY . 7.0 mmmm -58.58 -43.92 89.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.697 0.284 . . . . 2.32 110.86 176.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.4 t -64.83 -42.9 94.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.291 0.567 . . . . 1.33 109.631 177.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.672 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 63.0 t60 -58.55 -52.29 66.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.48 -0.782 . . . . 0.43 110.165 176.51 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.428 ' ND2' ' HG ' ' A' ' 13' ' ' LEU . 86.1 m-20 -61.17 -33.89 74.15 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.286 -0.87 . . . . 0.54 112.541 -178.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.474 ' CE1' HD12 ' A' ' 22' ' ' ILE . 9.8 t60 -58.24 -46.74 85.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.05 0.452 . . . . 0.52 110.178 177.168 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.504 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 34.0 m -72.54 -20.27 61.37 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.999 -0.546 . . . . 0.43 110.766 -178.559 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.672 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 28.9 mmmt -69.24 -20.53 63.95 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.11 0.481 . . . . 1.59 110.335 178.178 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.2 m -91.28 -5.63 54.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.846 -0.615 . . . . 1.93 110.897 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.513 HG22 ' HG2' ' A' ' 23' ' ' LYS . 30.2 mt -102.11 137.17 30.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.62 -0.264 . . . . 1.17 110.865 -177.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.513 ' HG2' HG22 ' A' ' 22' ' ' ILE . 8.2 ptpt 10.17 -92.77 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.039 0 O-C-N 125.175 1.547 . . . . 2.41 114.805 -175.163 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.11 24.32 3.8 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.671 -0.776 . . . . 0.64 112.502 -177.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.504 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 14.2 m-30 -62.4 146.14 52.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.207 0.527 . . . . 1.19 110.888 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -82.49 -44.7 15.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.435 -0.802 . . . . 2.26 110.614 -177.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -170.15 -167.11 30.14 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.649 -0.786 . . . . 0.29 112.226 -178.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.599 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -153.75 156.72 26.97 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 121.125 -0.559 . . . . 0.35 112.29 -178.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.503 ' CE2' ' HD2' ' A' ' 38' ' ' LYS . 2.7 p90 -157.45 151.85 25.0 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.69 -0.485 . . . . 1.2 109.69 179.1 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.491 ' SG ' ' HG2' ' A' ' 10' ' ' GLU . 3.5 m -77.55 120.96 23.24 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.055 -0.52 . . . . 0.58 109.667 -177.203 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.44 -47.9 10.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.417 -0.356 . . . . 1.05 111.921 -171.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -131.54 77.13 1.75 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.948 0.404 . . . . 3.31 111.157 -175.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 73.77 44.08 32.97 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.82 -0.705 . . . . 1.69 112.871 170.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.861 ' HA2' ' SG ' ' A' ' 4' ' ' CYS . . . 77.7 -36.66 1.63 Allowed Glycine 0 CA--C 1.517 0.173 0 N-CA-C 114.478 0.551 . . . . 0.89 114.478 173.455 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -51.73 -48.47 63.61 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.327 0.491 . . . . 1.24 112.327 -175.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.5 p -104.5 123.67 58.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.519 0.676 . . . . 1.43 111.517 -177.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.3 t -97.96 90.34 4.88 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.642 -1.163 . . . . 1.27 109.124 179.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.503 ' HD2' ' CE2' ' A' ' 29' ' ' TYR . 8.9 tmtm? -81.85 144.74 30.81 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.703 -0.68 . . . . 2.06 109.998 -176.723 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.3 m -115.02 151.92 33.36 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.937 0.398 . . . . 0.36 110.603 -176.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 23.7 p90 . . . . . 0 C--O 1.246 0.91 0 N-CA-C 109.375 -0.602 . . . . 1.15 109.375 -179.571 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 121.25 0.548 . . . . 1.21 110.112 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 88.33 -57.52 4.22 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.631 -0.713 . . . . 0.95 111.807 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.694 ' SG ' ' HG3' ' A' ' 10' ' ' GLU . 10.8 m -87.72 93.18 9.37 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 122.184 0.992 . . . . 1.67 111.297 -178.137 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -115.92 46.42 1.54 Allowed 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 113.606 -1.634 . . . . 1.77 109.022 176.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 100.12 160.43 28.39 Favored Glycine 0 N--CA 1.441 -0.983 0 N-CA-C 110.82 -0.912 . . . . 0.69 110.82 -171.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -45.45 -37.98 15.31 Favored 'Trans proline' 0 CA--C 1.53 0.321 0 C-N-CA 124.078 3.185 . . . . 0.79 113.773 -178.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -64.33 -32.64 74.32 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.952 -0.567 . . . . 3.03 111.614 -174.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.59 -16.57 14.32 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.408 -0.36 . . . . 2.45 110.502 -176.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.694 ' HG3' ' SG ' ' A' ' 4' ' ' CYS . 50.4 tt0 -36.54 117.44 0.49 Allowed 'General case' 0 C--O 1.236 0.363 0 O-C-N 124.444 1.09 . . . . 1.86 113.669 -175.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -135.63 106.16 6.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.975 -1.012 . . . . 2.14 108.744 174.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -60.25 -41.78 93.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.421 -0.809 . . . . 2.02 111.485 -173.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 22.9 tp -72.59 -34.63 67.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.263 -0.426 . . . . 1.22 111.564 -175.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.7 tppt? -58.1 -44.01 87.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.82 0.343 . . . . 2.32 110.163 177.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.1 t -66.39 -44.02 84.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.941 -0.572 . . . . 1.33 109.763 177.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.501 ' NE2' ' HD2' ' A' ' 20' ' ' LYS . 75.1 t60 -56.07 -46.26 79.04 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.558 -0.746 . . . . 0.43 109.919 176.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -66.42 -35.17 79.64 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.558 -0.746 . . . . 0.54 111.783 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.521 ' CE1' HD13 ' A' ' 22' ' ' ILE . 7.4 t60 -62.87 -50.91 69.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.775 0.321 . . . . 0.52 111.117 179.424 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.544 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 60.9 m -66.89 -31.42 72.0 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.282 -0.417 . . . . 0.43 111.616 -174.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.501 ' HD2' ' NE2' ' A' ' 16' ' ' HIS . 29.4 mtpp -74.38 -12.18 60.45 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.991 0.424 . . . . 1.59 111.522 -177.351 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.3 t -87.98 -4.78 58.77 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.314 0.578 . . . . 1.93 109.442 174.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.521 HD13 ' CE1' ' A' ' 18' ' ' HIS . 36.3 mt -102.16 154.33 5.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-N 115.614 -0.721 . . . . 1.17 109.554 178.184 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.494 ' HG2' HG21 ' A' ' 22' ' ' ILE . 2.2 ptmm? -24.36 -98.44 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 116.084 1.883 . . . . 2.41 116.084 -172.377 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -102.74 10.89 56.13 Favored Glycine 0 CA--C 1.509 -0.337 0 C-N-CA 120.511 -0.852 . . . . 0.64 112.76 -171.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.544 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 4.5 m-30 -64.43 128.85 37.56 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.727 -0.471 . . . . 1.19 109.727 179.203 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -80.6 -42.04 22.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.358 0.599 . . . . 2.26 110.346 -177.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -163.13 -172.04 30.13 Favored Glycine 0 N--CA 1.439 -1.152 0 CA-C-N 115.369 -0.832 . . . . 0.29 111.5 -179.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.498 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -146.17 153.95 25.64 Favored Glycine 0 N--CA 1.444 -0.81 0 N-CA-C 111.212 -0.755 . . . . 0.35 111.212 178.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.56 ' CE2' ' HD2' ' A' ' 38' ' ' LYS . 12.7 p90 -152.82 154.67 35.62 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.231 0.539 . . . . 1.2 110.267 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.614 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 9.7 m -90.89 90.52 7.94 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 121.657 0.742 . . . . 0.58 109.631 -177.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.44 -57.01 14.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.205 -1.361 . . . . 1.05 112.719 -167.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -88.87 40.39 0.97 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.574 -0.284 . . . . 3.31 111.444 -173.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 70.45 47.59 41.85 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.47 -0.871 . . . . 1.69 112.331 175.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.93 -13.31 67.96 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.617 -0.802 . . . . 0.89 113.376 176.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -79.29 -22.43 44.63 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 117.155 0.477 . . . . 1.24 112.2 -176.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.614 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 1.7 m -132.5 152.06 35.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.267 -0.573 . . . . 1.43 110.767 178.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 48.5 t -111.51 93.15 4.32 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.669 -0.696 . . . . 1.27 109.19 171.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.56 ' HD2' ' CE2' ' A' ' 29' ' ' TYR . 8.5 tmtm? -97.86 148.36 23.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.328 -0.396 . . . . 2.06 110.261 -177.201 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 22.2 m -117.42 153.76 32.53 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.349 -0.387 . . . . 0.36 110.53 -177.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 10.3 p90 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.369 -0.824 . . . . 1.15 109.928 -179.723 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 . . . . . 0 C--O 1.233 0.218 0 CA-C-O 121.075 0.464 . . . . 1.21 110.311 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 143.4 -58.39 0.54 Allowed Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.288 -0.725 . . . . 0.95 111.288 -172.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.573 ' HA ' ' HA ' ' A' ' 10' ' ' GLU . 33.8 m -81.24 71.91 8.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.651 0.739 . . . . 1.67 109.274 174.615 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -91.61 39.6 1.01 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.648 -0.705 . . . . 1.77 109.959 -176.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 102.31 161.7 26.3 Favored Glycine 0 N--CA 1.443 -0.892 0 N-CA-C 110.683 -0.967 . . . . 0.69 110.683 -172.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -46.41 -42.99 22.51 Favored 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 123.718 2.946 . . . . 0.79 113.715 -175.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -67.74 -30.38 69.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.177 -0.465 . . . . 3.03 111.743 -174.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.422 HE21 ' HB3' ' A' ' 9' ' ' GLN . 0.1 OUTLIER -105.26 -12.23 16.17 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.307 -0.406 . . . . 2.45 110.573 -173.853 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.573 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 0.6 OUTLIER -45.72 108.06 0.12 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.872 -1.058 . . . . 1.86 112.522 -174.588 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -114.39 137.68 51.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.58 -0.737 . . . . 2.14 109.98 176.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -77.51 -31.74 53.7 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.163 -0.926 . . . . 2.02 112.294 -169.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.5 tp -100.28 -29.74 12.27 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 112.002 0.371 . . . . 1.22 112.002 -173.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -54.23 -48.66 70.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.754 0.311 . . . . 2.32 111.803 -177.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.416 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 39.9 m -78.52 -24.59 45.68 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.38 -0.528 . . . . 1.33 111.254 -176.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.692 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 61.6 t60 -64.33 -50.74 66.57 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.56 -0.904 . . . . 0.43 108.56 169.346 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 55.9 m-20 -57.18 -38.84 74.2 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.122 -0.945 . . . . 0.54 112.006 178.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.495 ' CE1' HD11 ' A' ' 22' ' ' ILE . 16.5 t60 -59.48 -47.6 84.88 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.305 -0.407 . . . . 0.52 110.936 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.557 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 31.3 m -71.71 -20.07 61.97 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.454 -0.339 . . . . 0.43 110.994 -176.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.692 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 1.9 mmmp? -65.18 -26.81 68.32 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.885 0.374 . . . . 1.59 110.695 -179.39 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.4 m -97.71 6.92 47.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.959 -0.564 . . . . 1.93 111.291 -177.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.521 HG21 ' HG2' ' A' ' 23' ' ' LYS . 32.7 mt -106.22 136.88 39.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 110.08 -0.341 . . . . 1.17 110.08 175.56 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.521 ' HG2' HG21 ' A' ' 22' ' ' ILE . 8.6 ptpt 9.53 -97.93 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.045 0 O-C-N 125.111 1.507 . . . . 2.41 114.556 -174.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -126.65 29.21 4.52 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.687 -0.768 . . . . 0.64 112.428 -178.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.557 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 13.8 m-30 -70.1 132.73 46.28 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.906 0.384 . . . . 1.19 109.998 177.032 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -83.24 -37.2 23.87 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.809 -0.632 . . . . 2.26 111.112 -175.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -163.22 -178.69 37.18 Favored Glycine 0 N--CA 1.441 -0.975 0 C-N-CA 120.404 -0.903 . . . . 0.29 112.037 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.52 ' HA3' ' SG ' ' A' ' 19' ' ' CYS . . . -151.87 151.36 23.27 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 121.054 -0.593 . . . . 0.35 111.806 -179.456 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.539 ' HH ' ' HD3' ' A' ' 38' ' ' LYS . 8.7 p90 -159.53 158.69 32.27 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.797 0.332 . . . . 1.2 110.348 -176.093 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.71 119.62 20.75 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.943 -0.762 . . . . 0.58 108.943 177.225 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.79 -43.03 11.55 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 111.786 0.291 . . . . 1.05 111.786 -174.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -117.01 80.62 1.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.693 -0.403 . . . . 3.31 111.849 -175.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.16 33.65 48.91 Favored Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 121.168 -0.539 . . . . 1.69 113.641 167.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.0 24.07 67.51 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.355 -0.926 . . . . 0.89 112.853 179.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -111.67 -83.5 0.58 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.897 0.379 . . . . 1.24 111.795 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.6 p -70.56 115.55 10.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.617 0.722 . . . . 1.43 111.921 -174.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.526 ' SG ' ' HB2' ' A' ' 4' ' ' CYS . 76.6 m -83.57 89.77 7.15 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.576 -1.193 . . . . 1.27 110.618 176.039 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.539 ' HD3' ' HH ' ' A' ' 29' ' ' TYR . 35.7 tttp -73.18 158.86 34.44 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.025 -0.989 . . . . 2.06 109.73 176.149 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.534 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 32.1 m -129.32 158.5 38.94 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.473 -0.936 . . . . 0.36 108.473 178.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 9.9 p90 . . . . . 0 C--O 1.244 0.77 0 CA-C-O 118.972 -0.537 . . . . 1.15 110.617 179.738 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 . . . . . 0 N--CA 1.454 -0.24 0 CA-C-O 121.16 0.505 . . . . 1.21 110.354 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.462 ' C ' ' HB2' ' A' ' 11' ' ' ASP . . . 151.82 -71.69 0.29 Allowed Glycine 0 N--CA 1.444 -0.776 0 CA-C-N 115.456 -0.793 . . . . 0.95 111.438 -177.23 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.4 m -67.89 106.4 2.29 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-O 120.946 0.403 . . . . 1.67 110.106 178.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.435 ' HB2' ' HG3' ' A' ' 9' ' ' GLN . 15.6 m120 -107.98 42.59 1.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.969 -0.56 . . . . 1.77 110.376 178.642 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 121.16 169.81 13.85 Favored Glycine 0 N--CA 1.443 -0.872 0 C-N-CA 120.826 -0.702 . . . . 0.69 111.899 -177.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -49.78 -62.35 0.43 Allowed 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 123.812 3.008 . . . . 0.79 113.257 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.453 ' N ' ' CD1' ' A' ' 8' ' ' TRP . 0.2 OUTLIER -54.11 -26.8 29.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.369 -0.832 . . . . 3.03 112.255 -178.744 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.445 ' HG2' ' CD1' ' A' ' 8' ' ' TRP . 14.7 mm-40 -82.36 -73.86 0.37 Allowed 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.047 -0.524 . . . . 2.45 109.627 178.321 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 39.28 59.13 1.79 Allowed 'General case' 0 C--O 1.235 0.305 0 O-C-N 123.868 0.73 . . . . 1.86 112.315 -177.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.462 ' HB2' ' C ' ' A' ' 3' ' ' GLY . 1.4 m-20 -75.04 69.78 1.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.507 -0.77 . . . . 2.14 109.646 174.34 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -53.66 -50.38 65.9 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.541 -1.209 . . . . 2.02 111.412 -176.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.5 tp -66.73 -33.68 76.16 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.321 -0.854 . . . . 1.22 111.918 -175.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -37.56 77.75 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.681 -0.488 . . . . 2.32 109.681 179.551 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.41 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 67.6 m -71.04 -37.23 72.56 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 109.932 -0.396 . . . . 1.33 109.932 174.415 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.688 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 31.6 t60 -54.68 -57.96 9.42 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.615 -0.513 . . . . 0.43 109.615 171.059 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -59.3 -30.57 68.43 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.2 -0.909 . . . . 0.54 111.924 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.424 ' CE1' HD12 ' A' ' 22' ' ' ILE . 16.8 t60 -64.4 -49.7 70.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.713 0.292 . . . . 0.52 110.333 174.213 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.618 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 37.8 m -65.4 -30.7 71.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.366 -0.379 . . . . 0.43 110.633 -179.073 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.688 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 27.7 mmmt -55.63 -39.73 71.23 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.207 0.527 . . . . 1.59 110.7 178.044 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.5 m -82.28 -2.66 53.35 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.587 -0.733 . . . . 1.93 111.567 -176.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.439 HG22 ' HG2' ' A' ' 23' ' ' LYS . 39.0 mt -96.23 136.3 27.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.761 -0.459 . . . . 1.17 109.761 176.604 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.439 ' HG2' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER 10.88 -93.76 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.019 0 O-C-N 125.123 1.515 . . . . 2.41 114.319 -174.056 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.03 31.2 2.95 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.734 -0.746 . . . . 0.64 112.228 -178.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.618 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 13.3 m-30 -67.08 141.32 57.52 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.99 0.424 . . . . 1.19 110.528 178.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -87.17 -41.79 13.49 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.654 -0.703 . . . . 2.26 111.44 -174.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -160.62 -178.98 35.08 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.353 -0.927 . . . . 0.29 112.22 -178.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.466 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -156.83 151.65 23.03 Favored Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 111.732 -0.547 . . . . 0.35 111.732 -178.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.0 p90 -162.65 157.86 22.44 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.839 0.32 . . . . 1.2 110.675 -175.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.516 ' CB ' ' HA2' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -74.58 119.73 19.18 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.974 -0.75 . . . . 0.58 108.974 176.442 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.34 -49.74 7.04 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.131 0.419 . . . . 1.05 112.131 -172.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -117.73 79.45 1.36 Allowed 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.104 0.409 . . . . 3.31 112.104 -174.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.26 27.55 51.87 Favored Glycine 0 C--O 1.227 -0.301 0 C-N-CA 121.086 -0.578 . . . . 1.69 113.174 169.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.516 ' HA2' ' CB ' ' A' ' 30' ' ' CYS . . . 78.87 14.54 81.91 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.465 -0.874 . . . . 0.89 112.959 179.419 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -94.61 -74.06 0.56 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.241 0.543 . . . . 1.24 111.482 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.44 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 2.1 p -81.32 134.37 27.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.753 -0.658 . . . . 1.43 111.071 -178.651 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.41 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 66.5 m -106.55 101.35 10.81 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.553 0.692 . . . . 1.27 109.854 176.58 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.489 ' HG2' ' N ' ' A' ' 39' ' ' CYS . 38.9 tttp -82.62 160.5 22.46 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.775 -1.102 . . . . 2.06 109.931 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.489 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 29.9 m -131.91 152.64 50.93 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.969 -0.752 . . . . 0.36 108.969 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 31.8 p90 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 119.117 -0.468 . . . . 1.15 110.397 -179.948 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.505 ' HA2' ' HA ' ' A' ' 5' ' ' ASN . . . . . . . . 0 N--CA 1.483 1.813 0 N-CA-C 112.304 -0.318 . . . . 2.29 112.304 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 58.76 51.9 7.18 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 123.144 0.577 . . . . 1.21 112.012 176.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.463 ' HA3' ' HB3' ' A' ' 14' ' ' LYS . . . 84.48 -36.42 2.95 Favored Glycine 0 N--CA 1.452 -0.238 0 CA-C-N 115.809 -0.632 . . . . 0.95 113.595 173.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.852 ' SG ' ' HG2' ' A' ' 10' ' ' GLU . 13.3 t -76.69 -57.46 3.84 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.053 -0.721 . . . . 1.67 109.053 177.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.505 ' HA ' ' HA2' ' A' ' 1' ' ' GLY . 26.9 m120 69.78 -46.12 0.59 Allowed 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.872 1.064 . . . . 1.77 113.872 169.381 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 174.96 -177.94 46.86 Favored Glycine 0 N--CA 1.442 -0.935 0 N-CA-C 111.646 -0.581 . . . . 0.69 111.646 -176.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -61.51 -34.22 86.04 Favored 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.823 2.349 . . . . 0.79 112.818 -175.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 2.1 m95 -56.75 -42.65 79.69 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.253 -0.885 . . . . 3.03 110.955 -174.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -105.83 -75.76 0.62 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.724 -0.671 . . . . 2.45 110.281 179.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.852 ' HG2' ' SG ' ' A' ' 4' ' ' CYS . 1.4 tm-20 58.13 74.98 0.4 Allowed 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 123.805 0.691 . . . . 1.86 112.091 176.183 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.464 ' H ' ' HA ' ' A' ' 4' ' ' CYS . 8.5 m-20 -97.42 99.21 10.64 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.61 -0.723 . . . . 2.14 109.355 170.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -60.2 -40.19 89.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.778 -0.646 . . . . 2.02 111.328 -175.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.7 tp -64.87 -30.61 71.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.276 -0.42 . . . . 1.22 111.156 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.463 ' HB3' ' HA3' ' A' ' 3' ' ' GLY . 25.3 mmmt -63.04 -44.22 96.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.975 0.417 . . . . 2.32 110.058 175.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.8 t -62.71 -47.38 83.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.667 -0.697 . . . . 1.33 109.446 175.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.716 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 47.6 t60 -51.97 -55.11 22.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.418 -0.81 . . . . 0.43 110.285 175.306 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -58.06 -37.03 73.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.465 -0.789 . . . . 0.54 112.375 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -60.31 -45.96 91.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.983 0.42 . . . . 0.52 110.323 177.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.512 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 23.7 m -69.83 -25.53 63.79 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.936 -0.575 . . . . 0.43 110.821 -178.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.716 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 27.8 mmmt -63.65 -31.33 72.47 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.21 0.528 . . . . 1.59 110.547 179.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.1 m -82.35 -6.54 59.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.667 -0.697 . . . . 1.93 111.2 -178.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 27.3 mt -96.98 144.67 10.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.898 -0.408 . . . . 1.17 109.898 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -6.32 -92.47 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 115.196 1.554 . . . . 2.41 115.196 -174.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -126.4 30.68 4.21 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.706 -0.759 . . . . 0.64 112.335 -176.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.512 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 8.5 m-30 -73.14 135.07 44.65 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.078 0.466 . . . . 1.19 109.86 177.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -82.12 -47.33 12.68 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.65 -0.704 . . . . 2.26 111.016 -174.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -158.24 -176.13 29.95 Favored Glycine 0 N--CA 1.44 -1.056 0 C-N-CA 120.58 -0.819 . . . . 0.29 111.541 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.484 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -148.04 149.94 22.08 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.5 -0.857 . . . . 0.35 112.103 -178.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.622 ' HH ' ' HD2' ' A' ' 38' ' ' LYS . 25.9 p90 -146.44 150.17 35.1 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.087 0.47 . . . . 1.2 110.28 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.41 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 3.4 m -75.06 118.86 18.47 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 109.064 -0.717 . . . . 0.58 109.064 177.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.47 -46.74 11.34 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.036 0.384 . . . . 1.05 112.036 -172.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -121.89 70.47 0.96 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 111.941 0.349 . . . . 3.31 111.941 -174.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 73.49 45.68 28.54 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.77 -0.729 . . . . 1.69 112.665 171.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.822 ' HA2' ' SG ' ' A' ' 4' ' ' CYS . . . 82.41 -31.6 2.92 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.964 -0.636 . . . . 0.89 113.717 176.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -54.63 -67.44 0.27 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.51 0.559 . . . . 1.24 112.51 -174.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.1 p -91.85 131.52 38.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 121.321 0.581 . . . . 1.43 112.162 -173.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.5 t -97.21 97.69 9.38 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.875 -1.057 . . . . 1.27 109.943 178.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.622 ' HD2' ' HH ' ' A' ' 29' ' ' TYR . 9.3 tmtm? -90.29 143.85 26.38 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.905 -0.589 . . . . 2.06 110.106 179.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.403 ' N ' ' HD3' ' A' ' 38' ' ' LYS . 35.9 m -123.74 156.86 35.23 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.013 -0.54 . . . . 0.36 110.287 -174.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 13.5 p90 . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.341 -0.838 . . . . 1.15 110.449 179.056 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.727 0 N-CA-C 111.589 -0.605 . . . . 2.29 111.589 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -123.48 2.97 9.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.902 0.382 . . . . 1.21 111.098 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 170.59 -79.65 0.09 OUTLIER Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.618 -0.801 . . . . 0.95 112.139 -177.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 5' ' ' ASN . 39.1 m -55.91 -54.84 39.76 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 111.452 0.167 . . . . 1.67 111.452 -177.113 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.412 ' HB2' ' O ' ' A' ' 4' ' ' CYS . 32.2 m-80 71.11 -50.31 0.68 Allowed 'General case' 0 C--N 1.342 0.249 0 C-N-CA 123.751 0.82 . . . . 1.77 112.649 176.09 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -178.24 151.67 10.83 Favored Glycine 0 N--CA 1.44 -1.098 0 N-CA-C 111.04 -0.824 . . . . 0.69 111.04 -177.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -41.21 -38.69 3.47 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 124.532 3.488 . . . . 0.79 114.169 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -53.74 -42.83 68.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.491 -0.777 . . . . 3.03 111.168 -175.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.421 ' HG3' ' H ' ' A' ' 10' ' ' GLU . 6.9 pt20 -108.98 -56.6 2.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.769 -0.65 . . . . 2.45 110.419 -179.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.421 ' H ' ' HG3' ' A' ' 9' ' ' GLN . 7.7 tt0 50.95 61.6 3.16 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.77 -0.65 . . . . 1.86 111.886 175.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.443 ' HB3' ' HB2' ' A' ' 14' ' ' LYS . 14.4 m-20 -72.21 90.2 1.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 2.14 110.346 178.125 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -63.91 -55.26 23.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.514 -0.767 . . . . 2.02 111.827 -174.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 45.1 tp -68.03 -30.5 69.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.407 -0.36 . . . . 1.22 111.081 -175.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.443 ' HB2' ' HB3' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -67.45 -35.2 78.74 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.771 -0.455 . . . . 2.32 109.771 177.92 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 52.7 t -65.63 -46.72 78.15 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.148 -0.686 . . . . 1.33 109.148 173.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.705 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 58.0 t60 -53.23 -52.48 58.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.197 -0.91 . . . . 0.43 110.297 175.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -61.83 -32.17 72.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.637 -0.71 . . . . 0.54 112.462 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.473 ' CE1' HD13 ' A' ' 22' ' ' ILE . 16.2 t60 -61.11 -47.17 87.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.045 0.45 . . . . 0.52 109.841 175.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.517 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 34.9 m -69.64 -27.46 65.07 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.893 -0.594 . . . . 0.43 110.797 -178.613 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.705 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 1.9 mmmp? -61.83 -30.89 71.14 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 121.391 0.615 . . . . 1.59 110.283 177.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.1 m -89.67 2.95 54.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.277 -0.874 . . . . 1.93 111.253 -175.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.477 HG22 ' HG2' ' A' ' 23' ' ' LYS . 31.0 mt -105.23 135.84 41.62 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 CA-C-N 116.414 -0.357 . . . . 1.17 110.091 175.52 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.477 ' HG2' HG22 ' A' ' 22' ' ' ILE . 1.6 ptpp? 7.87 -100.09 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.061 0 O-C-N 125.186 1.554 . . . . 2.41 114.624 -174.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.24 30.24 4.82 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.759 -0.734 . . . . 0.64 112.414 -177.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.517 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 12.1 m-30 -65.7 149.97 49.26 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.122 0.487 . . . . 1.19 110.349 177.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.497 ' HB3' ' OXT' ' A' ' 40' ' ' TYR . 58.5 tttp -89.53 -49.18 6.83 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.76 -0.655 . . . . 2.26 110.72 -175.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -163.89 -172.72 31.72 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.326 -0.94 . . . . 0.29 112.422 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.449 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -145.93 156.6 27.05 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 121.138 -0.554 . . . . 0.35 111.806 179.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.668 ' HH ' ' HD3' ' A' ' 38' ' ' LYS . 13.9 p90 -157.78 161.94 38.46 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.16 0.505 . . . . 1.2 110.884 -177.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.488 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 3.6 m -82.97 108.78 16.53 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.679 -0.691 . . . . 0.58 110.043 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.17 -62.04 1.8 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.34 0.59 . . . . 1.05 111.159 -176.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.457 ' HB3' HG13 ' A' ' 36' ' ' VAL . 51.3 tptt -88.27 54.21 2.99 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.907 -0.588 . . . . 3.31 111.193 -175.081 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.76 34.23 86.68 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.974 -0.631 . . . . 1.69 113.122 171.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.488 ' HA2' ' HB3' ' A' ' 30' ' ' CYS . . . 100.04 -26.97 22.46 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.481 -0.866 . . . . 0.89 113.117 177.344 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -67.67 -19.59 65.2 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.259 0.466 . . . . 1.24 112.259 -174.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.457 HG13 ' HB3' ' A' ' 32' ' ' LYS . 1.3 m -126.99 161.94 32.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.538 -0.465 . . . . 1.43 110.483 -179.048 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 40.6 t -124.47 98.8 5.9 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.932 -0.766 . . . . 1.27 108.932 175.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.668 ' HD3' ' HH ' ' A' ' 29' ' ' TYR . 45.6 tttp -94.71 160.83 14.44 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.368 -0.378 . . . . 2.06 110.228 -178.289 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.592 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 62.4 m -126.15 158.93 34.27 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.89 -0.411 . . . . 0.36 109.89 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.497 ' OXT' ' HB3' ' A' ' 26' ' ' LYS . 34.0 p90 . . . . . 0 C--O 1.248 0.979 0 N-CA-C 109.138 -0.69 . . . . 1.15 109.138 176.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.755 0 N-CA-C 112.172 -0.371 . . . . 2.29 112.172 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -132.78 65.21 1.59 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.321 0.582 . . . . 1.21 110.385 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 102.33 -57.7 0.61 Allowed Glycine 0 N--CA 1.444 -0.806 0 CA-C-N 115.561 -0.745 . . . . 0.95 111.416 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.6 m -70.74 103.69 2.65 Favored 'General case' 0 N--CA 1.441 -0.906 0 N-CA-C 109.874 -0.417 . . . . 1.67 109.874 177.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.445 ' HB2' ' CD ' ' A' ' 9' ' ' GLN . 15.8 m120 -117.62 38.24 3.67 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.449 0.642 . . . . 1.77 109.888 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 120.11 162.27 11.8 Favored Glycine 0 N--CA 1.441 -0.998 0 N-CA-C 110.8 -0.92 . . . . 0.69 110.8 -174.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.544 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 2.9 Cg_endo -49.77 -34.58 36.38 Favored 'Trans proline' 0 CA--C 1.528 0.212 0 C-N-CA 123.427 2.752 . . . . 0.79 113.149 179.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 3.0 m95 -82.85 -15.62 50.81 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.842 -0.617 . . . . 3.03 111.329 -174.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.445 ' CD ' ' HB2' ' A' ' 5' ' ' ASN . 0.0 OUTLIER -108.18 -2.4 19.44 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.22 -0.445 . . . . 2.45 110.107 -176.449 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.498 ' HG2' ' SG ' ' A' ' 30' ' ' CYS . 0.3 OUTLIER -41.56 115.71 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.629 -1.168 . . . . 1.86 111.761 177.784 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -137.19 116.64 12.79 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.887 -0.597 . . . . 2.14 109.805 177.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -63.9 -44.78 91.93 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.764 -1.107 . . . . 2.02 111.627 -176.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.0 tp -72.79 -36.41 67.58 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 111.974 0.361 . . . . 1.22 111.974 -172.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -60.15 -45.92 91.42 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.799 0.333 . . . . 2.32 110.527 177.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.1 t -67.91 -40.41 83.4 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.508 -0.553 . . . . 1.33 109.508 177.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.704 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 49.6 t60 -55.34 -53.3 57.93 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 115.821 -0.627 . . . . 0.43 110.031 175.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 58.2 m-20 -56.48 -37.78 70.83 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.097 -0.956 . . . . 0.54 111.98 -179.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.493 ' CE1' HD13 ' A' ' 22' ' ' ILE . 9.4 t60 -60.53 -47.22 87.12 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.098 0.475 . . . . 0.52 110.767 176.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.425 ' SG ' ' HA3' ' A' ' 28' ' ' GLY . 30.9 m -69.98 -17.15 63.28 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.866 -0.606 . . . . 0.43 111.092 -176.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.704 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 28.1 mmmt -71.21 -24.6 62.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.102 0.477 . . . . 1.59 110.54 -179.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.0 t -86.32 -11.96 50.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.856 -0.611 . . . . 1.93 110.373 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.539 HG21 ' HG2' ' A' ' 23' ' ' LYS . 21.6 mt -97.44 139.49 19.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.541 -0.3 . . . . 1.17 110.402 -178.084 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.539 ' HG2' HG21 ' A' ' 22' ' ' ILE . 4.2 ptmm? -1.31 -95.73 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 115.332 1.604 . . . . 2.41 115.332 -172.267 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.11 20.27 7.14 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.565 -0.826 . . . . 0.64 112.53 -175.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.41 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 12.4 m-30 -61.82 124.66 21.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.112 0.482 . . . . 1.19 109.756 177.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -67.57 -45.76 74.66 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.519 -0.764 . . . . 2.26 110.805 -175.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -166.15 -166.36 25.05 Favored Glycine 0 N--CA 1.438 -1.211 0 CA-C-N 115.42 -0.809 . . . . 0.29 111.314 -178.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.52 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -154.0 171.77 32.66 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.376 -0.916 . . . . 0.35 112.546 -177.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -169.07 157.09 7.6 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.631 -0.507 . . . . 1.2 109.631 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.507 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 5.6 m -75.25 109.32 8.66 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.867 -0.79 . . . . 0.58 108.867 177.219 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.8 -44.18 74.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 1.05 111.844 -169.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -127.72 82.96 2.12 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.26 -0.427 . . . . 3.31 110.981 -175.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.544 ' O ' ' HA ' ' A' ' 7' ' ' PRO . . . 86.97 -53.54 4.5 Favored Glycine 0 N--CA 1.452 -0.3 0 CA-C-N 115.894 -0.593 . . . . 1.69 112.371 170.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.507 ' HA2' ' HB3' ' A' ' 30' ' ' CYS . . . 159.7 31.7 0.02 OUTLIER Glycine 0 C--O 1.22 -0.752 0 C-N-CA 121.035 -0.602 . . . . 0.89 112.037 179.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -109.48 -59.73 1.87 Allowed 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 121.32 0.581 . . . . 1.24 110.577 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -88.2 130.1 38.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 115.327 -0.852 . . . . 1.43 111.286 -175.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 47.6 t -95.1 91.66 6.44 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.36 -0.836 . . . . 1.27 108.927 177.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -82.47 142.1 32.17 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.365 -0.834 . . . . 2.06 110.494 -178.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 57.2 m -124.84 157.86 34.85 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.489 -0.778 . . . . 0.36 109.31 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.246 0.871 0 CA-C-O 119.063 -0.494 . . . . 1.15 110.857 178.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.471 ' HA3' ' ND2' ' A' ' 5' ' ' ASN . . . . . . . . 0 N--CA 1.48 1.614 0 N-CA-C 111.98 -0.448 . . . . 2.29 111.98 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -132.28 14.21 4.62 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.777 0.322 . . . . 1.21 111.205 -177.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.416 ' O ' ' HB2' ' A' ' 11' ' ' ASP . . . 157.4 -59.48 0.35 Allowed Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.06 -1.067 . . . . 0.95 112.798 179.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 47.9 m -57.36 -62.82 1.5 Allowed 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 122.135 0.174 . . . . 1.67 111.01 -178.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.471 ' ND2' ' HA3' ' A' ' 1' ' ' GLY . 5.0 m120 57.46 44.69 20.94 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.307 0.484 . . . . 1.77 112.307 175.335 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 86.25 152.75 21.16 Favored Glycine 0 N--CA 1.444 -0.819 0 C-N-CA 120.727 -0.749 . . . . 0.69 112.801 175.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -47.86 -32.34 17.19 Favored 'Trans proline' 0 CA--C 1.53 0.3 0 C-N-CA 124.397 3.398 . . . . 0.79 114.028 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -48.97 -48.37 43.3 Favored 'General case' 0 CA--C 1.521 -0.172 0 C-N-CA 123.696 0.798 . . . . 3.03 110.392 -176.127 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -109.57 -54.78 2.51 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.069 -0.969 . . . . 2.45 110.384 179.25 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 48.08 58.16 5.38 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 123.748 0.655 . . . . 1.86 111.198 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.434 ' HB3' ' HB2' ' A' ' 14' ' ' LYS . 21.4 m-20 -72.7 93.02 1.59 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.88 -0.6 . . . . 2.14 110.659 -178.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -56.88 -54.23 48.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.665 -1.152 . . . . 2.02 112.165 -176.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 25.8 tp -66.39 -30.02 70.3 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.346 -0.388 . . . . 1.22 111.125 -175.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.434 ' HB2' ' HB3' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -64.02 -39.87 95.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.704 0.287 . . . . 2.32 110.357 177.647 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.2 t -63.57 -45.84 88.65 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.302 -0.629 . . . . 1.33 109.302 175.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.686 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 45.3 t60 -54.56 -53.8 49.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.403 -0.817 . . . . 0.43 110.29 175.263 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -60.86 -31.32 70.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.455 -0.793 . . . . 0.54 112.48 -178.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.437 ' CE1' HD13 ' A' ' 22' ' ' ILE . 7.5 t60 -62.67 -48.53 78.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.057 0.456 . . . . 0.52 109.986 175.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.475 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 36.5 m -67.55 -23.73 65.46 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.721 -0.672 . . . . 0.43 110.794 -178.273 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.686 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 2.0 mmmp? -66.15 -23.67 66.52 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.315 0.579 . . . . 1.59 110.51 178.165 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.5 m -90.61 2.38 55.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.509 -0.769 . . . . 1.93 110.726 -178.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.514 HG23 ' HG2' ' A' ' 23' ' ' LYS . 22.0 mt -108.95 137.51 40.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 116.341 -0.391 . . . . 1.17 110.586 178.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.514 ' HG2' HG23 ' A' ' 22' ' ' ILE . 9.5 ptpt 5.16 -96.65 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.571 1.548 . . . . 2.41 115.031 -175.305 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -126.43 29.59 4.48 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.838 -0.696 . . . . 0.64 112.046 -178.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.475 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 12.8 m-30 -68.54 130.32 42.5 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.236 0.541 . . . . 1.19 110.305 177.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.501 ' HB3' ' OXT' ' A' ' 40' ' ' TYR . 50.1 tttp -76.06 -42.04 48.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.326 -0.852 . . . . 2.26 111.169 -174.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -165.48 -173.78 34.38 Favored Glycine 0 N--CA 1.441 -0.98 0 C-N-CA 120.409 -0.9 . . . . 0.29 112.151 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.479 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -149.03 152.47 24.48 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 121.017 -0.611 . . . . 0.35 111.887 -179.183 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.493 ' CE2' ' HD2' ' A' ' 38' ' ' LYS . 15.2 p90 -151.7 154.92 37.27 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.881 0.372 . . . . 1.2 110.417 -178.153 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.454 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 4.3 m -75.17 108.82 8.18 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.821 -0.807 . . . . 0.58 108.821 176.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.25 -47.59 41.85 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.105 0.409 . . . . 1.05 112.105 -170.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 43.3 mmtm -134.74 82.77 1.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.006 0.432 . . . . 3.31 111.893 -175.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.98 29.97 21.66 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.589 -0.815 . . . . 1.69 113.851 165.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.454 ' HA2' ' HB3' ' A' ' 30' ' ' CYS . . . 73.29 9.8 77.73 Favored Glycine 0 C--O 1.225 -0.406 0 C-N-CA 120.519 -0.848 . . . . 0.89 113.016 178.096 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -94.47 -63.69 1.15 Allowed 'General case' 0 C--N 1.32 -0.677 0 O-C-N 122.372 -0.487 . . . . 1.24 111.342 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.4 p -87.58 130.13 37.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.219 0.533 . . . . 1.43 111.744 -174.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.2 t -97.14 93.68 6.7 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.161 -0.927 . . . . 1.27 109.188 178.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.493 ' HD2' ' CE2' ' A' ' 29' ' ' TYR . 9.4 tmtm? -92.08 142.77 27.15 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.715 -0.675 . . . . 2.06 110.227 -177.149 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 27.4 m -118.71 154.65 32.41 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.852 -0.613 . . . . 0.36 110.499 -176.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.501 ' OXT' ' HB3' ' A' ' 26' ' ' LYS . 5.4 p90 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.362 -0.828 . . . . 1.15 110.198 178.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.55 ' HA2' ' OD1' ' A' ' 5' ' ' ASN . . . . . . . . 0 N--CA 1.48 1.598 0 N-CA-C 112.199 -0.36 . . . . 2.29 112.199 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 62.91 38.15 11.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.266 0.555 . . . . 1.21 111.696 175.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.84 37.89 37.84 Favored Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 115.541 -0.754 . . . . 0.95 113.419 174.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.814 ' SG ' ' HA2' ' A' ' 34' ' ' GLY . 7.7 t -138.61 -70.47 0.42 Allowed 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.556 -0.458 . . . . 1.67 110.159 174.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.55 ' OD1' ' HA2' ' A' ' 1' ' ' GLY . 87.0 m-20 51.09 44.85 28.47 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 113.238 0.829 . . . . 1.77 113.238 173.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 91.91 160.51 36.18 Favored Glycine 0 N--CA 1.442 -0.923 0 C-N-CA 120.439 -0.886 . . . . 0.69 112.273 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -46.04 -33.08 10.72 Favored 'Trans proline' 0 CA--C 1.53 0.32 0 C-N-CA 124.145 3.23 . . . . 0.79 113.76 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 4.5 m95 -64.95 -37.94 89.33 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.82 -0.627 . . . . 3.03 111.728 -173.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.37 -9.01 13.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.702 -0.226 . . . . 2.45 111.158 -175.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.569 ' HG2' ' SG ' ' A' ' 4' ' ' CYS . 1.4 tm-20 -36.67 102.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 124.566 1.146 . . . . 1.86 112.385 177.332 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -95.75 -11.9 26.24 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.021 -0.536 . . . . 2.14 111.274 -178.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.5 t70 66.34 -74.75 0.06 Allowed 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 123.584 0.754 . . . . 2.02 112.473 -177.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.8 tp -59.45 -35.3 73.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.046 -0.525 . . . . 1.22 111.802 -174.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -57.61 -37.22 72.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.83 0.348 . . . . 2.32 110.857 178.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 50.7 t -70.57 -41.85 71.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.242 0.544 . . . . 1.33 109.639 178.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.666 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 55.9 t60 -57.01 -49.3 76.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.602 -0.726 . . . . 0.43 109.862 174.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -60.61 -32.36 71.49 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.227 -0.897 . . . . 0.54 111.986 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.452 ' CE1' HD13 ' A' ' 22' ' ' ILE . 7.6 t60 -60.99 -48.38 82.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.027 0.441 . . . . 0.52 110.477 177.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.454 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 33.8 m -73.33 -15.86 61.38 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.011 -0.541 . . . . 0.43 111.31 -175.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.666 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 1.4 mmmp? -69.46 -26.38 64.55 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.385 0.612 . . . . 1.59 109.984 177.56 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.3 t -88.14 -3.71 58.84 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.443 -0.799 . . . . 1.93 110.397 -177.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.462 HG23 ' HG2' ' A' ' 23' ' ' LYS . 37.9 mt -98.85 143.57 13.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.104 -0.498 . . . . 1.17 110.114 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.462 ' HG2' HG23 ' A' ' 22' ' ' ILE . 1.6 ptpp? -4.76 -95.63 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 115.208 1.559 . . . . 2.41 115.208 -174.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -125.82 28.35 4.94 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.484 -0.865 . . . . 0.64 112.104 -177.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.454 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 10.6 m-30 -65.86 143.76 57.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.877 0.37 . . . . 1.19 110.381 178.172 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -82.02 -41.95 19.98 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.807 -0.633 . . . . 2.26 110.93 -176.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -172.9 -170.01 36.1 Favored Glycine 0 N--CA 1.442 -0.925 0 C-N-CA 120.807 -0.711 . . . . 0.29 111.42 -178.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.536 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -150.53 162.54 29.34 Favored Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.762 -0.732 . . . . 0.35 111.864 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -164.62 151.52 11.14 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.092 0.472 . . . . 1.2 110.162 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.49 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 38.0 m -76.23 106.19 7.71 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.16 -0.682 . . . . 0.58 109.16 177.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.73 -39.23 73.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.189 -0.46 . . . . 1.05 111.541 -169.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -122.55 72.5 1.07 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.292 -0.413 . . . . 3.31 111.262 -178.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.2 -38.98 2.04 Favored Glycine 0 C--O 1.228 -0.258 0 C-N-CA 121.155 -0.545 . . . . 1.69 113.159 171.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.814 ' HA2' ' SG ' ' A' ' 4' ' ' CYS . . . 160.57 -12.26 0.16 Allowed Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 121.024 -0.608 . . . . 0.89 112.172 -179.22 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -63.07 -38.39 91.0 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 120.948 0.404 . . . . 1.24 111.344 -178.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.49 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 1.2 p -122.98 127.3 74.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.151 0.501 . . . . 1.43 111.736 -175.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.4 t -96.46 90.37 5.36 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.2 -0.909 . . . . 1.27 108.806 174.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.591 ' HG2' ' N ' ' A' ' 39' ' ' CYS . 70.9 tttt -87.6 162.4 17.18 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.404 -0.816 . . . . 2.06 110.476 -176.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.591 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 59.7 m -125.16 156.95 37.58 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.996 -0.547 . . . . 0.36 109.607 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.617 ' HH ' ' HD1' ' A' ' 16' ' ' HIS . 29.7 p90 . . . . . 0 C--O 1.246 0.869 0 CA-C-O 118.942 -0.552 . . . . 1.15 110.098 179.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.789 0 N-CA-C 111.714 -0.554 . . . . 2.29 111.714 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 69.15 14.05 8.68 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.481 0.712 . . . . 1.21 111.649 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 151.51 -72.47 0.28 Allowed Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.502 -0.856 . . . . 0.95 112.434 -179.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.596 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 8.0 m -79.49 91.92 5.2 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-O 121.25 0.547 . . . . 1.67 109.76 177.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -88.71 32.35 0.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 1.77 110.129 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 134.99 156.0 7.57 Favored Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 111.325 -0.71 . . . . 0.69 111.325 -176.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -42.04 -46.47 7.03 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 124.043 3.162 . . . . 0.79 113.116 175.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -59.01 -35.46 73.3 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.995 -1.002 . . . . 3.03 110.876 -177.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -77.97 -68.66 0.61 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.273 -0.876 . . . . 2.45 110.035 -178.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.548 ' HG2' ' SG ' ' A' ' 30' ' ' CYS . 1.7 tm-20 40.65 88.75 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 O-C-N 124.588 1.18 . . . . 1.86 112.448 175.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -122.79 102.03 7.8 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.324 0.583 . . . . 2.14 110.366 -178.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -52.56 -47.52 66.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.682 -1.145 . . . . 2.02 111.808 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.7 tp -72.41 -35.3 68.34 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.213 0.449 . . . . 1.22 112.213 -171.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.4 mmmm -63.03 -44.68 95.25 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.737 -0.385 . . . . 2.32 110.779 177.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.596 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 62.1 m -66.91 -39.72 87.49 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 121.182 0.515 . . . . 1.33 109.692 175.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.7 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 58.9 t60 -55.09 -56.62 17.82 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.288 -0.869 . . . . 0.43 109.84 175.17 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -57.94 -38.64 76.33 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.112 -0.949 . . . . 0.54 112.017 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.502 ' CE1' HD11 ' A' ' 22' ' ' ILE . 7.9 t60 -55.9 -44.73 78.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.912 0.386 . . . . 0.52 110.366 176.209 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 35.2 m -75.87 -23.57 55.64 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.862 -0.608 . . . . 0.43 110.991 -178.099 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.7 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 27.9 mmmt -66.36 -32.78 74.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.37 0.605 . . . . 1.59 109.779 177.245 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.2 t -80.77 -4.37 54.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.231 -0.895 . . . . 1.93 110.534 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.526 HG21 ' HG2' ' A' ' 23' ' ' LYS . 43.2 mt -98.76 146.91 7.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 N-CA-C 109.702 -0.481 . . . . 1.17 109.702 177.394 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.526 ' HG2' HG21 ' A' ' 22' ' ' ILE . 5.5 ptmt -8.58 -93.3 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 115.407 1.632 . . . . 2.41 115.407 -173.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.26 26.7 4.12 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.382 -0.913 . . . . 0.64 112.464 -176.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.404 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 12.4 m-30 -61.9 153.89 27.78 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.999 0.428 . . . . 1.19 110.724 177.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.455 ' HB3' ' O ' ' A' ' 40' ' ' TYR . 54.1 tttp -89.52 -53.46 4.52 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.963 -0.562 . . . . 2.26 110.514 -177.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -160.08 -171.96 26.67 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.565 -0.826 . . . . 0.29 112.301 -179.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.583 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -154.78 162.98 31.09 Favored Glycine 0 C--O 1.227 -0.29 0 C-N-CA 120.22 -0.99 . . . . 0.35 113.147 -178.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.563 ' CE2' ' HD3' ' A' ' 38' ' ' LYS . 6.8 p90 -161.78 163.34 29.57 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.116 -0.327 . . . . 1.2 110.116 -178.166 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.677 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -76.68 101.14 5.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.816 0.341 . . . . 0.58 110.225 -178.472 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.444 ' HB2' ' CG2' ' A' ' 36' ' ' VAL . . . -65.98 -55.34 17.27 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 112.278 0.473 . . . . 1.05 112.278 -175.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -82.39 55.2 2.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.26 -0.427 . . . . 3.31 111.527 -176.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.57 -50.25 3.78 Favored Glycine 0 N--CA 1.45 -0.375 0 N-CA-C 111.9 -0.48 . . . . 1.69 111.9 178.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.532 ' HA2' ' CB ' ' A' ' 30' ' ' CYS . . . -177.85 23.63 0.05 OUTLIER Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 121.066 -0.588 . . . . 0.89 112.567 178.353 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -101.64 -54.85 2.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 117.532 0.666 . . . . 1.24 112.403 -176.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.677 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 1.4 m -99.85 152.18 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 C-N-CA 120.834 -0.346 . . . . 1.43 111.069 -174.075 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.3 m -99.43 88.21 3.82 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.027 -0.533 . . . . 1.27 109.808 172.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.591 ' HG2' ' N ' ' A' ' 39' ' ' CYS . 36.5 tttp -76.14 159.75 30.41 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.032 -0.729 . . . . 2.06 109.032 177.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.591 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 61.4 m -129.1 158.03 40.08 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 120.807 0.337 . . . . 0.36 110.222 -175.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.455 ' O ' ' HB3' ' A' ' 26' ' ' LYS . 25.1 p90 . . . . . 0 C--N 1.316 -0.876 0 CA-C-O 117.777 -1.106 . . . . 1.15 109.034 176.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.727 0 N-CA-C 112.085 -0.406 . . . . 2.29 112.085 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 66.74 12.69 9.0 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.53 0.732 . . . . 1.21 111.645 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 157.95 -75.67 0.21 Allowed Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 111.553 -0.619 . . . . 0.95 111.553 -176.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.3 m -67.31 95.23 0.42 Allowed 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 120.931 0.396 . . . . 1.67 110.754 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.5 ' O ' ' HG3' ' A' ' 9' ' ' GLN . 28.3 m-80 -96.28 53.18 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.214 0.531 . . . . 1.77 110.656 179.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 92.89 158.16 34.11 Favored Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 120.594 -0.812 . . . . 0.69 111.207 -176.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -46.43 -40.84 23.14 Favored 'Trans proline' 0 CA--C 1.528 0.2 0 C-N-CA 124.047 3.165 . . . . 0.79 113.345 178.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -56.42 -31.19 63.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.746 -0.661 . . . . 3.03 110.722 -177.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.5 ' HG3' ' O ' ' A' ' 5' ' ' ASN . 0.3 OUTLIER -99.29 -63.45 1.12 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.169 -0.923 . . . . 2.45 109.592 -178.564 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 44.2 52.89 6.92 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 114.581 -1.191 . . . . 1.86 110.973 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.429 ' OD1' ' HB3' ' A' ' 9' ' ' GLN . 10.1 m-20 -71.6 87.73 0.93 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.588 -0.733 . . . . 2.14 110.652 -178.391 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -62.29 -58.63 7.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.379 -0.828 . . . . 2.02 112.381 -174.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 37.7 tp -72.49 -31.39 65.33 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.536 -0.302 . . . . 1.22 111.039 -174.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -42.13 97.72 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.205 -0.665 . . . . 2.32 109.205 178.158 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.5 t -62.79 -44.02 97.26 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.524 -0.762 . . . . 1.33 110.357 175.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.632 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 48.1 t60 -58.97 -49.36 78.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.466 -0.788 . . . . 0.43 110.355 175.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -58.83 -30.35 67.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.745 -0.661 . . . . 0.54 112.474 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.512 ' CE1' HD11 ' A' ' 22' ' ' ILE . 9.9 t60 -59.76 -51.2 70.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.921 0.391 . . . . 0.52 110.487 178.188 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.552 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 36.6 m -80.29 -10.78 59.76 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.127 -0.488 . . . . 0.43 111.742 -175.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.632 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 3.3 mmmp? -62.29 -33.28 74.35 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.089 0.471 . . . . 1.59 110.234 172.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.8 m -83.89 -15.54 47.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.829 -0.623 . . . . 1.93 111.437 -176.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.522 HG21 ' HG2' ' A' ' 23' ' ' LYS . 43.3 mt -87.37 142.8 12.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 121.121 -0.232 . . . . 1.17 110.424 -177.265 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.522 ' HG2' HG21 ' A' ' 22' ' ' ILE . 9.3 ptmt -3.76 -96.02 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 125.604 1.562 . . . . 2.41 115.159 -173.352 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -117.43 15.76 12.91 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.376 -0.916 . . . . 0.64 112.53 -175.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.552 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 9.0 m-30 -61.74 130.75 47.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.094 0.473 . . . . 1.19 110.225 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.411 ' HB3' ' O ' ' A' ' 40' ' ' TYR . 50.2 tttp -81.95 -40.08 22.76 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.723 -0.672 . . . . 2.26 110.918 -178.15 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -167.64 -177.12 38.85 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.591 -0.814 . . . . 0.29 111.957 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -155.38 143.73 10.21 Favored Glycine 0 N--CA 1.451 -0.349 0 N-CA-C 111.117 -0.793 . . . . 0.35 111.117 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -142.09 156.07 45.38 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 117.301 0.55 . . . . 1.2 111.537 -174.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.488 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 11.9 m -66.12 106.99 1.77 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.48 -0.782 . . . . 0.58 109.214 175.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.455 ' HB3' HG11 ' A' ' 36' ' ' VAL . . . -79.75 -42.01 25.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.929 0.395 . . . . 1.05 111.541 -172.119 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.9 mmtm -104.25 56.96 0.72 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.284 0.564 . . . . 3.31 110.515 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.29 -60.58 4.33 Favored Glycine 0 N--CA 1.443 -0.86 0 CA-C-N 115.489 -0.778 . . . . 1.69 112.274 175.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.488 ' HA2' ' HB3' ' A' ' 30' ' ' CYS . . . -168.77 34.46 0.19 Allowed Glycine 0 C--O 1.224 -0.49 0 C-N-CA 120.713 -0.756 . . . . 0.89 112.829 -176.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -122.48 -80.05 0.62 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.155 0.502 . . . . 1.24 111.036 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.455 HG11 ' HB3' ' A' ' 31' ' ' ALA . 2.0 p -73.63 136.08 26.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.594 -0.73 . . . . 1.43 111.262 -176.268 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.5 m -103.77 96.48 6.73 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.646 -0.706 . . . . 1.27 110.677 178.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.505 ' HD3' ' N ' ' A' ' 39' ' ' CYS . 1.6 tmtp? -85.28 142.07 29.64 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.846 -0.798 . . . . 2.06 108.846 175.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.505 ' N ' ' HD3' ' A' ' 38' ' ' LYS . 70.8 m -131.42 159.21 38.7 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 116.119 -0.491 . . . . 0.36 111.303 -175.117 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.411 ' O ' ' HB3' ' A' ' 26' ' ' LYS . 1.7 p90 . . . . . 0 C--O 1.243 0.729 0 CA-C-O 118.602 -0.713 . . . . 1.15 110.532 -173.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.765 0 N-CA-C 112.154 -0.378 . . . . 2.29 112.154 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 55.88 23.45 6.54 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.488 0.715 . . . . 1.21 112.844 177.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.464 ' HA3' ' HB3' ' A' ' 14' ' ' LYS . . . 127.09 -54.02 0.78 Allowed Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.273 -0.965 . . . . 0.95 113.366 -177.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.478 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 67.6 m -58.2 -51.93 67.7 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 117.056 0.428 . . . . 1.67 110.295 179.084 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 43.83 49.0 7.0 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.971 0.73 . . . . 1.77 112.971 176.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 78.07 174.96 43.82 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.894 -0.669 . . . . 0.69 113.325 177.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.453 ' HD3' ' O ' ' A' ' 33' ' ' GLY . 3.7 Cg_endo -52.82 -30.91 49.29 Favored 'Trans proline' 0 N--CA 1.473 0.27 0 C-N-CA 124.13 3.22 . . . . 0.79 113.706 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -46.88 -41.76 16.34 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 124.03 0.932 . . . . 3.03 110.866 -176.193 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.47 -57.86 1.81 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.353 -0.84 . . . . 2.45 110.236 -178.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 56.36 51.17 11.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.345 0.593 . . . . 1.86 110.488 178.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.405 ' H ' ' HA ' ' A' ' 4' ' ' CYS . 53.1 m-20 -87.76 90.5 8.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.594 -0.73 . . . . 2.14 110.519 179.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -59.85 -40.8 89.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.661 -0.7 . . . . 2.02 111.671 -177.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.4 tp -64.01 -32.03 73.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.553 -0.294 . . . . 1.22 111.621 -173.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.464 ' HB3' ' HA3' ' A' ' 3' ' ' GLY . 2.5 tppt? -63.11 -43.87 97.25 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.612 -0.514 . . . . 2.32 109.612 176.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.454 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 75.2 m -73.0 -31.58 64.58 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.978 -0.555 . . . . 1.33 110.556 178.289 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.531 ' HA ' ' N ' ' A' ' 28' ' ' GLY . 57.4 t60 -55.96 -48.1 76.41 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.784 -0.821 . . . . 0.43 108.784 169.402 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -62.54 -44.72 95.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.411 -0.813 . . . . 0.54 111.3 176.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.44 ' CE1' HD13 ' A' ' 22' ' ' ILE . 29.1 t60 -59.44 -49.29 78.35 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.348 -0.387 . . . . 0.52 111.511 -178.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.656 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 77.1 m -63.93 -39.94 95.32 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.786 0.327 . . . . 0.43 110.671 -178.023 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -71.33 -20.37 62.19 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.037 0.446 . . . . 1.59 111.311 -179.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.4 t -77.64 -9.96 59.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.663 -0.698 . . . . 1.93 109.93 173.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.449 HG22 ' HG2' ' A' ' 23' ' ' LYS . 40.7 mt -101.64 138.57 25.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.867 -0.606 . . . . 1.17 110.228 177.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.449 ' HG2' HG22 ' A' ' 22' ' ' ILE . 1.1 ptpp? 13.1 -96.01 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.008 0 O-C-N 124.88 1.363 . . . . 2.41 114.438 -174.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.29 27.83 3.54 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.514 -0.851 . . . . 0.64 112.795 -176.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.656 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 13.7 m-30 -66.08 138.47 57.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.114 0.483 . . . . 1.19 110.091 177.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -84.77 -39.27 18.62 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.535 -0.757 . . . . 2.26 111.137 -172.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -159.27 178.25 35.49 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.23 -0.985 . . . . 0.29 112.391 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.531 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -153.7 148.99 20.37 Favored Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 111.452 -0.659 . . . . 0.35 111.452 178.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -156.19 159.94 39.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.892 0.346 . . . . 1.2 110.536 -176.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.503 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 3.9 m -68.76 115.67 8.38 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.47 -0.937 . . . . 0.58 108.47 176.097 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.427 ' HB2' HG13 ' A' ' 36' ' ' VAL . . . -88.2 -42.41 12.32 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.435 -0.506 . . . . 1.05 111.79 -172.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -133.33 73.29 1.51 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.92 0.391 . . . . 3.31 111.531 -175.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.453 ' O ' ' HD3' ' A' ' 7' ' ' PRO . . . 77.2 36.62 34.47 Favored Glycine 0 C--O 1.224 -0.479 0 C-N-CA 120.855 -0.688 . . . . 1.69 112.99 171.325 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.503 ' HA2' ' HB3' ' A' ' 30' ' ' CYS . . . 80.13 -14.51 20.88 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.492 -0.861 . . . . 0.89 113.346 176.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -69.47 -67.67 0.46 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.934 0.397 . . . . 1.24 111.081 -178.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.427 HG13 ' HB2' ' A' ' 31' ' ' ALA . 1.2 p -90.86 135.41 26.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.06 -0.518 . . . . 1.43 111.21 -177.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.478 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 68.7 m -106.24 99.18 8.77 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-O 121.721 0.772 . . . . 1.27 110.38 174.341 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.416 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 24.2 tptm -71.99 143.54 49.17 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 114.345 -1.298 . . . . 2.06 110.452 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.3 m -122.15 155.1 36.46 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.762 -0.829 . . . . 0.36 108.762 178.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 26.6 p90 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.759 -0.639 . . . . 1.15 110.056 -179.438 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.759 0 N-CA-C 111.89 -0.484 . . . . 2.29 111.89 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -133.41 12.94 4.16 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.021 0.439 . . . . 1.21 110.149 178.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 160.41 -62.02 0.29 Allowed Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.631 -0.795 . . . . 0.95 112.491 -178.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -78.44 95.88 5.24 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-O 120.898 0.38 . . . . 1.67 110.723 -179.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.458 ' HB2' ' HG3' ' A' ' 9' ' ' GLN . 17.6 m120 -101.48 40.67 1.27 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.257 0.551 . . . . 1.77 109.921 176.249 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 115.82 154.37 10.4 Favored Glycine 0 N--CA 1.443 -0.881 0 CA-C-N 115.69 -0.687 . . . . 0.69 111.464 -176.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.421 ' O ' ' HB2' ' A' ' 10' ' ' GLU . 2.7 Cg_exo -42.46 -45.88 7.98 Favored 'Trans proline' 0 CA--C 1.53 0.282 0 C-N-CA 124.561 3.507 . . . . 0.79 113.622 177.104 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -54.27 -34.83 61.7 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.576 0.703 . . . . 3.03 110.53 -179.05 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.458 ' HG3' ' HB2' ' A' ' 5' ' ' ASN . 28.7 mm-40 -86.28 -71.57 0.54 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.796 -1.093 . . . . 2.45 108.673 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 7' ' ' PRO . 8.0 tt0 47.07 41.81 11.82 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.312 -0.858 . . . . 1.86 111.965 177.001 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -73.89 92.65 2.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.16 0.505 . . . . 2.14 110.308 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -66.92 -45.03 79.14 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.186 -0.916 . . . . 2.02 111.145 -173.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 27.1 tp -65.85 -34.67 78.67 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.585 -0.734 . . . . 1.22 111.252 -176.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -58.34 -45.31 88.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.868 0.366 . . . . 2.32 110.421 175.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.0 t -67.59 -45.41 75.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.945 -0.57 . . . . 1.33 109.799 178.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.699 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 62.2 t60 -55.3 -51.58 66.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.331 -0.85 . . . . 0.43 110.282 176.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -57.97 -41.0 82.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.464 -0.789 . . . . 0.54 111.971 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.442 ' CE1' HD12 ' A' ' 22' ' ' ILE . 8.1 t60 -58.11 -46.51 85.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.862 0.363 . . . . 0.52 110.81 178.502 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.47 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 55.5 m -72.6 -17.88 61.65 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.125 -0.489 . . . . 0.43 111.149 -176.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.699 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 2.0 mmmp? -66.85 -33.29 75.28 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.336 0.588 . . . . 1.59 110.052 178.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.4 t -84.84 -0.39 53.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.469 -0.787 . . . . 1.93 111.066 -176.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.509 HG23 ' HG2' ' A' ' 23' ' ' LYS . 38.7 mt -98.97 139.8 19.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 110.345 -0.242 . . . . 1.17 110.345 179.248 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.509 ' HG2' HG23 ' A' ' 22' ' ' ILE . 0.1 OUTLIER 3.57 -99.07 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 125.45 1.5 . . . . 2.41 114.975 -174.883 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.08 28.79 5.28 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.74 -0.743 . . . . 0.64 112.29 -177.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.47 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 13.0 m-30 -66.63 152.02 46.18 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.305 0.574 . . . . 1.19 110.73 179.206 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.41 ' HB3' ' OXT' ' A' ' 40' ' ' TYR . 79.0 tttt -89.44 -48.5 7.29 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.27 -0.877 . . . . 2.26 110.302 -177.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -166.07 -167.26 26.44 Favored Glycine 0 N--CA 1.442 -0.948 0 C-N-CA 120.784 -0.722 . . . . 0.29 112.005 -179.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.526 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -152.63 163.69 30.45 Favored Glycine 0 N--CA 1.449 -0.491 0 N-CA-C 111.104 -0.798 . . . . 0.35 111.104 178.258 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -163.9 161.37 22.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.174 0.511 . . . . 1.2 111.046 -178.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.454 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 10.8 m -78.06 102.16 7.31 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.467 -0.788 . . . . 0.58 109.528 178.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.411 ' HB1' HG12 ' A' ' 36' ' ' VAL . . . -70.68 -40.9 72.66 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.119 0.415 . . . . 1.05 112.119 -169.441 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -99.25 51.47 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.113 0.482 . . . . 3.31 110.49 179.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.23 -62.03 4.38 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.783 -0.644 . . . . 1.69 111.561 176.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.454 ' HA2' ' HB3' ' A' ' 30' ' ' CYS . . . -164.4 26.98 0.2 Allowed Glycine 0 C--O 1.226 -0.373 0 C-N-CA 120.95 -0.643 . . . . 0.89 112.597 -177.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -109.81 -70.82 0.79 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.015 0.436 . . . . 1.24 111.53 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.411 HG12 ' HB1' ' A' ' 31' ' ' ALA . 2.3 p -85.69 135.03 25.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.895 -0.593 . . . . 1.43 111.79 -174.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.4 t -97.05 97.52 9.3 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.053 -0.976 . . . . 1.27 109.696 178.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.593 ' HG2' ' N ' ' A' ' 39' ' ' CYS . 66.8 tttt -95.76 161.18 14.13 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.764 -0.653 . . . . 2.06 109.992 178.429 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.593 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 56.6 m -121.71 156.94 32.01 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.563 -0.532 . . . . 0.36 109.563 178.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.41 ' OXT' ' HB3' ' A' ' 26' ' ' LYS . 29.0 p90 . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.742 -0.646 . . . . 1.15 109.459 178.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.548 ' HA3' ' ND2' ' A' ' 5' ' ' ASN . . . . . . . . 0 N--CA 1.483 1.786 0 N-CA-C 112.336 -0.306 . . . . 2.29 112.336 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 59.37 26.08 14.9 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 123.06 0.544 . . . . 1.21 111.539 178.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 130.71 -40.4 1.66 Allowed Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.662 -0.78 . . . . 0.95 112.1 -178.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.704 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 91.9 m -69.27 -75.68 0.11 Allowed 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 110.505 -0.183 . . . . 1.67 110.505 177.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.548 ' ND2' ' HA3' ' A' ' 1' ' ' GLY . 9.9 m120 52.17 38.47 24.49 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 113.175 0.806 . . . . 1.77 113.175 171.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 100.07 171.2 29.83 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.404 -0.903 . . . . 0.69 113.234 177.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_endo -53.42 -41.78 70.5 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 124.257 3.305 . . . . 0.79 114.047 -178.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 6.1 m95 -62.9 -37.6 87.59 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.74 -0.664 . . . . 3.03 111.482 -172.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.704 ' HB2' ' O ' ' A' ' 4' ' ' CYS . 2.3 mt-30 -92.12 -72.58 0.58 Allowed 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.501 -0.555 . . . . 2.45 109.501 -175.13 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 45.57 55.6 6.53 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 123.958 0.786 . . . . 1.86 111.122 173.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -83.81 120.6 26.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.245 0.545 . . . . 2.14 110.371 -177.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -66.32 -55.39 16.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.057 -0.974 . . . . 2.02 111.621 -176.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.5 tp -73.76 -33.12 64.15 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.327 -0.397 . . . . 1.22 111.806 -171.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.29 -43.3 98.3 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.853 -0.339 . . . . 2.32 110.789 177.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.4 t -63.85 -43.04 97.34 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.203 -0.666 . . . . 1.33 109.203 176.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.644 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 43.1 t60 -56.99 -55.52 33.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.423 -0.808 . . . . 0.43 110.63 175.38 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -57.63 -34.66 69.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.549 -0.751 . . . . 0.54 112.049 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.538 ' CE1' HD12 ' A' ' 22' ' ' ILE . 14.9 t60 -60.3 -49.83 76.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.085 0.469 . . . . 0.52 110.297 177.042 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.576 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 36.8 m -67.74 -29.13 68.27 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.822 -0.626 . . . . 0.43 110.828 -178.217 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.644 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 2.4 mmmp? -54.57 -36.8 64.75 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.942 0.401 . . . . 1.59 110.799 178.34 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.7 m -86.75 -3.04 59.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.858 -0.61 . . . . 1.93 111.858 -175.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.538 HD12 ' CE1' ' A' ' 18' ' ' HIS . 39.3 mt -97.31 138.17 22.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 120.981 -0.287 . . . . 1.17 110.656 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.495 ' HG2' HG23 ' A' ' 22' ' ' ILE . 10.0 ptpt 7.73 -98.82 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.439 1.496 . . . . 2.41 114.833 -175.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -120.6 25.52 7.24 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.616 -0.802 . . . . 0.64 112.456 -176.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.576 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 10.4 m-30 -67.66 152.06 46.24 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.121 0.486 . . . . 1.19 110.834 179.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -104.43 -46.33 4.41 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.899 -0.591 . . . . 2.26 110.865 -177.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -152.66 -179.61 28.36 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.63 -0.795 . . . . 0.29 111.961 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.555 ' HA3' ' SG ' ' A' ' 19' ' ' CYS . . . -155.45 149.72 20.94 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.472 -0.87 . . . . 0.35 112.787 -177.521 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.462 ' CE2' ' HD3' ' A' ' 38' ' ' LYS . 6.6 p90 -158.11 151.16 22.88 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.052 0.453 . . . . 1.2 110.532 -177.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.516 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 23.3 m -70.57 115.14 9.4 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.887 -0.597 . . . . 0.58 109.904 179.332 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.14 -39.77 32.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.442 -0.345 . . . . 1.05 111.902 -174.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -127.38 73.17 1.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.531 -0.304 . . . . 3.31 111.45 -175.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 62.92 35.6 92.26 Favored Glycine 0 C--O 1.227 -0.306 0 C-N-CA 121.197 -0.525 . . . . 1.69 113.239 172.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.514 ' O ' ' HB3' ' A' ' 4' ' ' CYS . . . 80.89 -1.41 84.23 Favored Glycine 0 C--O 1.223 -0.57 0 C-N-CA 120.899 -0.667 . . . . 0.89 113.548 176.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -81.76 -9.66 59.57 Favored 'General case' 0 C--N 1.317 -0.805 0 O-C-N 122.014 -0.698 . . . . 1.24 111.277 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.516 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 1.6 p -150.26 130.68 4.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 120.989 0.423 . . . . 1.43 110.995 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.1 t -99.74 93.68 5.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.365 -0.834 . . . . 1.27 109.026 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.61 ' HG2' ' N ' ' A' ' 39' ' ' CYS . 75.6 tttt -82.01 163.07 22.37 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.712 -0.676 . . . . 2.06 110.338 -177.639 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.61 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 42.2 m -141.77 155.64 45.61 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.3 -0.409 . . . . 0.36 109.929 -176.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 27.0 p90 . . . . . 0 C--O 1.243 0.737 0 CA-C-O 117.606 -1.187 . . . . 1.15 109.227 177.922 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.704 0 N-CA-C 112.197 -0.361 . . . . 2.29 112.197 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.523 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 68.5 m-85 -91.42 70.33 5.98 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.032 0.444 . . . . 1.21 110.229 -178.413 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 103.22 -55.08 0.66 Allowed Glycine 0 N--CA 1.445 -0.742 0 N-CA-C 111.026 -0.83 . . . . 0.95 111.026 -178.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.458 ' HB2' ' O ' ' A' ' 34' ' ' GLY . 5.3 p -102.78 124.54 48.5 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-O 121.459 0.647 . . . . 1.67 110.229 174.536 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.424 ' H ' ' HB2' ' A' ' 9' ' ' GLN . 35.0 m-80 -110.02 21.73 16.46 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.034 -0.985 . . . . 1.77 111.069 -177.187 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 139.72 174.13 13.54 Favored Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 111.064 -0.814 . . . . 0.69 111.064 -174.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -50.75 -48.63 19.79 Favored 'Trans proline' 0 N--CA 1.472 0.214 0 C-N-CA 123.43 2.754 . . . . 0.79 113.246 -178.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -78.21 -16.22 58.07 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.673 -0.694 . . . . 3.03 110.549 -176.271 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.424 ' HB2' ' H ' ' A' ' 5' ' ' ASN . 7.8 mm100 -99.75 -5.48 28.63 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.538 -0.755 . . . . 2.45 109.983 -177.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.421 ' HA ' ' CB ' ' A' ' 4' ' ' CYS . 1.5 tm-20 -52.83 104.2 0.09 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.862 -1.063 . . . . 1.86 112.2 -176.391 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -122.46 105.65 10.34 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.796 -0.816 . . . . 2.14 108.796 174.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -62.42 -46.44 88.54 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.222 -0.899 . . . . 2.02 111.863 -172.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.0 tp -67.98 -36.76 80.57 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.71 -0.396 . . . . 1.22 111.472 -176.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -62.35 -42.54 99.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.623 0.249 . . . . 2.32 110.714 176.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.6 t -64.07 -46.12 85.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.339 0.59 . . . . 1.33 109.544 175.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.654 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 58.5 t60 -54.73 -51.65 64.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.269 -0.878 . . . . 0.43 110.415 176.297 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -61.17 -33.75 73.93 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.531 -0.758 . . . . 0.54 112.281 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.408 ' NE2' HD12 ' A' ' 22' ' ' ILE . 16.3 t60 -59.32 -44.72 92.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.018 0.437 . . . . 0.52 109.985 177.227 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.461 ' SG ' ' HA3' ' A' ' 28' ' ' GLY . 50.3 m -75.18 -17.25 60.42 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.813 -0.631 . . . . 0.43 111.289 -177.516 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.654 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 1.7 mmmp? -71.46 -37.18 71.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.199 0.523 . . . . 1.59 109.945 178.107 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.1 m -77.59 -11.0 59.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.346 -0.843 . . . . 1.93 111.378 -178.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.525 HG21 ' HG2' ' A' ' 23' ' ' LYS . 44.4 mt -90.27 141.65 14.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 109.759 -0.46 . . . . 1.17 109.759 177.42 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.525 ' HG2' HG21 ' A' ' 22' ' ' ILE . 6.4 ptpt 13.58 -91.04 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.15 0 O-C-N 124.989 1.431 . . . . 2.41 113.406 -175.41 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -157.7 48.33 0.45 Allowed Glycine 0 N--CA 1.438 -1.229 0 C-N-CA 120.089 -1.053 . . . . 0.64 112.436 173.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.436 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 78.6 m-85 -59.56 168.62 1.55 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.476 0.655 . . . . 1.19 111.388 172.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -89.43 -47.24 8.14 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.431 -0.804 . . . . 2.26 109.86 178.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -169.57 -172.87 36.62 Favored Glycine 0 N--CA 1.442 -0.934 0 CA-C-N 115.516 -0.766 . . . . 0.29 111.79 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.461 ' HA3' ' SG ' ' A' ' 19' ' ' CYS . . . -144.77 155.83 26.6 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.548 -0.834 . . . . 0.35 112.039 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -152.52 150.92 30.09 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.026 0.441 . . . . 1.2 110.143 178.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.581 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 4.7 m -80.85 112.65 18.43 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 109.426 -0.583 . . . . 0.58 109.426 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.62 -41.15 63.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.128 -0.487 . . . . 1.05 111.943 -170.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -120.27 72.76 0.96 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.246 0.462 . . . . 3.31 112.246 -173.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 73.75 37.82 50.99 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.696 -0.764 . . . . 1.69 113.105 168.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.458 ' O ' ' HB2' ' A' ' 4' ' ' CYS . . . 77.26 10.53 86.2 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.692 -0.765 . . . . 0.89 113.184 178.065 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -90.39 -63.18 1.31 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 117.062 0.431 . . . . 1.24 111.876 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.581 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 2.5 p -99.87 127.21 52.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.17 0.51 . . . . 1.43 111.88 -175.348 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.523 ' HB3' ' HB2' ' A' ' 2' ' ' PHE . 44.5 t -91.39 98.03 11.45 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.197 -0.91 . . . . 1.27 109.773 179.088 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.1 tmtm? -91.22 146.43 23.83 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.679 -0.691 . . . . 2.06 109.512 177.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.1 m -117.92 153.05 34.24 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.288 -0.414 . . . . 0.36 110.599 -174.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 18.2 p90 . . . . . 0 C--O 1.251 1.172 0 CA-C-O 118.864 -0.589 . . . . 1.15 109.798 -178.888 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.458 ' HA2' ' HA ' ' A' ' 5' ' ' ASN . . . . . . . . 0 N--CA 1.486 2.0 0 N-CA-C 112.564 -0.214 . . . . 2.29 112.564 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 59.13 38.92 23.59 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.355 0.598 . . . . 1.21 111.632 178.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 98.45 -19.25 55.18 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.857 -0.687 . . . . 0.95 113.084 176.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.731 ' SG ' ' HG2' ' A' ' 10' ' ' GLU . 11.4 t -94.26 -57.53 2.48 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.627 -0.429 . . . . 1.67 110.212 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.458 ' HA ' ' HA2' ' A' ' 1' ' ' GLY . 15.3 m120 70.41 -42.54 0.52 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.13 0.972 . . . . 1.77 113.566 170.014 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 178.19 172.27 42.43 Favored Glycine 0 N--CA 1.441 -1.03 0 N-CA-C 110.617 -0.993 . . . . 0.69 110.617 -177.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -52.35 -41.02 69.17 Favored 'Trans proline' 0 CA--C 1.528 0.208 0 C-N-CA 123.043 2.495 . . . . 0.79 112.714 -177.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -72.84 -32.41 65.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.107 -0.497 . . . . 3.03 111.025 -176.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.651 ' HB2' ' O ' ' A' ' 4' ' ' CYS . 4.3 mt-30 -93.6 -13.12 28.05 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.151 -0.477 . . . . 2.45 110.64 -173.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.731 ' HG2' ' SG ' ' A' ' 4' ' ' CYS . 1.2 tm-20 -45.84 117.68 1.57 Allowed 'General case' 0 C--O 1.236 0.36 0 O-C-N 124.018 0.824 . . . . 1.86 111.255 -178.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -85.76 -93.78 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.035 -0.984 . . . . 2.14 110.791 -177.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.3 t70 177.44 -64.06 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.214 -0.662 . . . . 2.02 109.214 -179.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.0 tp -104.91 -18.72 14.1 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 114.98 -1.009 . . . . 1.22 111.004 -172.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.2 mmmt -56.14 -41.98 76.22 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 111.657 0.243 . . . . 2.32 111.657 -179.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 32.3 t -64.83 -43.79 91.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.232 0.539 . . . . 1.33 109.701 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.618 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 48.7 t60 -59.81 -52.74 64.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.66 -0.7 . . . . 0.43 110.249 176.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -57.46 -38.06 73.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.385 -0.825 . . . . 0.54 112.235 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.489 ' CE1' HD12 ' A' ' 22' ' ' ILE . 8.3 t60 -55.02 -42.9 73.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.309 0.576 . . . . 0.52 110.723 178.496 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.502 ' SG ' ' HA3' ' A' ' 28' ' ' GLY . 19.9 m -76.75 -16.63 59.43 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.809 -0.632 . . . . 0.43 110.862 -177.408 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.618 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 1.7 mmmp? -76.35 -26.18 55.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.934 0.397 . . . . 1.59 110.642 -178.151 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.6 p -89.47 -0.93 57.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.195 -0.457 . . . . 1.93 111.382 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.489 HD12 ' CE1' ' A' ' 18' ' ' HIS . 28.6 mt -100.04 149.13 6.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.523 -0.547 . . . . 1.17 109.523 175.194 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.466 ' HG2' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -2.29 -86.13 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.122 1.369 . . . . 2.41 114.405 -175.873 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -150.46 41.1 0.81 Allowed Glycine 0 N--CA 1.441 -1.011 0 C-N-CA 119.353 -1.404 . . . . 0.64 113.564 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.434 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 90.5 m-85 -68.27 145.95 53.77 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 120.358 -0.537 . . . . 1.19 109.917 170.554 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -84.01 -40.55 18.28 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.504 -0.771 . . . . 2.26 110.513 -175.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -164.82 -175.12 35.28 Favored Glycine 0 N--CA 1.439 -1.144 0 C-N-CA 120.469 -0.872 . . . . 0.29 111.844 -179.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.502 ' HA3' ' SG ' ' A' ' 19' ' ' CYS . . . -151.34 142.17 9.26 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.529 -0.843 . . . . 0.35 112.834 -178.122 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.76 ' HH ' ' HZ2' ' A' ' 38' ' ' LYS . 2.5 p90 -143.57 147.36 34.31 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.183 0.516 . . . . 1.2 110.16 -179.259 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.465 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 25.3 m -72.45 112.68 8.73 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.667 -0.697 . . . . 0.58 109.852 -177.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.0 -42.41 60.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.916 -0.584 . . . . 1.05 111.926 -168.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -123.71 68.45 1.03 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.821 0.343 . . . . 3.31 110.637 -176.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.33 -47.52 3.76 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.886 -0.673 . . . . 1.69 112.784 174.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.69 ' HA2' ' SG ' ' A' ' 4' ' ' CYS . . . 172.72 -27.14 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.474 -0.87 . . . . 0.89 112.486 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -52.34 -47.12 66.25 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.157 0.503 . . . . 1.24 111.807 -176.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -110.55 128.86 66.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.851 -0.613 . . . . 1.43 111.278 -175.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 50.7 t -102.04 95.56 6.43 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.355 -0.838 . . . . 1.27 108.769 177.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.76 ' HZ2' ' HH ' ' A' ' 29' ' ' TYR . 66.8 tttt -84.44 157.75 21.28 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.664 -0.698 . . . . 2.06 110.397 -177.257 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.548 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 54.6 m -132.74 156.97 46.07 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.03 -0.532 . . . . 0.36 109.864 -176.141 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 15.2 p90 . . . . . 0 C--O 1.241 0.653 0 CA-C-O 118.317 -0.849 . . . . 1.15 110.057 -179.873 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.685 0 N-CA-C 112.241 -0.344 . . . . 2.29 112.241 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -79.79 64.14 4.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.641 0.734 . . . . 1.21 110.337 -178.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 136.0 -68.08 0.53 Allowed Glycine 0 N--CA 1.444 -0.774 0 CA-C-N 114.747 -1.115 . . . . 0.95 110.446 -176.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.764 ' SG ' ' HA ' ' A' ' 10' ' ' GLU . 3.2 m -70.33 102.14 2.08 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-O 121.624 0.726 . . . . 1.67 110.85 175.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -103.23 27.68 7.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.205 -0.907 . . . . 1.77 110.588 178.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 126.38 170.12 12.9 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 111.187 -0.765 . . . . 0.69 111.187 -174.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -47.32 -43.86 25.63 Favored 'Trans proline' 0 CA--C 1.532 0.413 0 C-N-CA 123.706 2.938 . . . . 0.79 113.337 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.7 m95 -75.62 -14.69 60.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.284 0.564 . . . . 3.03 111.129 -175.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -108.97 -3.26 17.64 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.362 -0.835 . . . . 2.45 109.91 -173.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.764 ' HA ' ' SG ' ' A' ' 4' ' ' CYS . 4.3 tm-20 -48.51 114.8 1.04 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.673 -1.149 . . . . 1.86 112.001 -177.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -141.47 114.34 8.5 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.445 -0.798 . . . . 2.14 109.466 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -65.3 -42.97 92.55 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.386 -0.825 . . . . 2.02 111.522 -176.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.6 tp -70.64 -36.36 73.38 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.918 -0.583 . . . . 1.22 112.005 -170.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm -62.2 -46.6 88.2 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.928 -0.309 . . . . 2.32 111.007 177.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.4 m -67.21 -37.0 82.89 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.135 0.493 . . . . 1.33 109.794 176.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.637 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 61.9 t60 -59.05 -53.38 58.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.596 -0.729 . . . . 0.43 110.185 175.295 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -57.69 -37.51 73.6 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.165 -0.925 . . . . 0.54 111.829 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.523 ' CE1' HD12 ' A' ' 22' ' ' ILE . 11.9 t60 -57.61 -46.89 83.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.981 0.42 . . . . 0.52 110.455 176.276 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.469 ' SG ' ' HA3' ' A' ' 28' ' ' GLY . 37.9 m -73.41 -20.67 60.68 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.07 -0.514 . . . . 0.43 111.168 -177.232 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.637 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 1.9 mmmp? -64.63 -26.24 68.31 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.343 0.592 . . . . 1.59 110.064 176.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.2 t -87.87 -6.97 57.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.461 -0.79 . . . . 1.93 111.038 -178.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.523 HD12 ' CE1' ' A' ' 18' ' ' HIS . 26.0 mt -102.61 140.44 20.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 120.822 -0.351 . . . . 1.17 110.739 -178.46 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.495 ' HG2' HG22 ' A' ' 22' ' ' ILE . 1.8 ptpp? -1.05 -102.32 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 115.478 1.658 . . . . 2.41 115.478 -175.473 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -114.82 27.3 8.8 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.464 -0.874 . . . . 0.64 112.46 -176.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.9 m-30 -74.31 131.62 41.33 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.899 0.38 . . . . 1.19 110.09 178.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -80.4 -40.95 25.47 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.868 -0.605 . . . . 2.26 111.053 -175.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -162.54 -174.84 32.92 Favored Glycine 0 N--CA 1.439 -1.159 0 C-N-CA 120.611 -0.804 . . . . 0.29 111.819 -178.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.553 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -148.57 146.62 16.33 Favored Glycine 0 N--CA 1.444 -0.833 0 C-N-CA 120.79 -0.719 . . . . 0.35 111.964 -178.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -144.71 147.85 33.49 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.983 0.421 . . . . 1.2 109.931 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.667 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 3.3 m -78.13 105.24 9.22 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.492 -0.559 . . . . 0.58 109.492 -179.279 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.19 -57.32 4.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.892 -0.594 . . . . 1.05 111.702 -171.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -97.74 63.38 1.7 Allowed 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 112.243 0.46 . . . . 3.31 112.243 -173.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.99 45.55 8.25 Favored Glycine 0 CA--C 1.51 -0.255 0 C-N-CA 120.445 -0.883 . . . . 1.69 113.448 166.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.655 ' C ' ' HB3' ' A' ' 4' ' ' CYS . . . 65.88 45.38 88.53 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.81 -0.709 . . . . 0.89 112.812 -179.631 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -125.51 -72.17 0.67 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.75 0.309 . . . . 1.24 111.247 177.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.667 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 2.4 p -84.12 129.87 36.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.105 -0.498 . . . . 1.43 111.455 -177.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 69.4 m -87.39 81.7 7.77 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.68 -0.691 . . . . 1.27 109.98 176.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.461 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 21.4 tptm -68.34 138.24 55.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.01 -0.541 . . . . 2.06 110.124 178.292 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.5 m -116.34 155.09 29.06 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.822 -0.627 . . . . 0.36 110.145 -176.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 15.1 p90 . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.49 -0.767 . . . . 1.15 110.779 -178.373 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.439 ' HA2' ' OD1' ' A' ' 5' ' ' ASN . . . . . . . . 0 N--CA 1.48 1.589 0 N-CA-C 112.043 -0.423 . . . . 2.29 112.043 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 55.89 54.79 7.67 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.359 0.599 . . . . 1.21 110.637 179.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 95.15 -56.42 1.78 Allowed Glycine 0 N--CA 1.444 -0.823 0 CA-C-N 115.316 -0.856 . . . . 0.95 111.553 -179.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.49 ' SG ' ' HA ' ' A' ' 10' ' ' GLU . 30.7 m -84.1 86.48 7.21 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-O 121.713 0.768 . . . . 1.67 111.173 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.44 ' H ' ' HB2' ' A' ' 9' ' ' GLN . 56.2 m-20 -102.62 36.46 2.17 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.763 -1.108 . . . . 1.77 109.263 173.463 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 121.66 153.99 9.09 Favored Glycine 0 N--CA 1.442 -0.952 0 N-CA-C 110.509 -1.037 . . . . 0.69 110.509 -171.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -44.7 -37.9 12.0 Favored 'Trans proline' 0 N--CA 1.476 0.451 0 C-N-CA 123.948 3.099 . . . . 0.79 113.928 178.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -67.62 -30.38 69.94 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.465 0.65 . . . . 3.03 110.385 -178.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.44 ' HB2' ' H ' ' A' ' 5' ' ' ASN . 33.8 mm-40 -90.24 -17.91 26.63 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.212 -0.904 . . . . 2.45 110.028 -178.063 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.49 ' HA ' ' SG ' ' A' ' 4' ' ' CYS . 17.3 tt0 -37.77 112.24 0.2 Allowed 'General case' 0 C--O 1.235 0.323 0 O-C-N 124.717 1.261 . . . . 1.86 112.792 -171.095 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -129.41 109.94 11.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.649 -0.705 . . . . 2.14 109.573 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -59.25 -51.23 70.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.892 -1.049 . . . . 2.02 112.0 -176.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.427 ' HG ' ' ND2' ' A' ' 17' ' ' ASN . 20.1 tp -74.8 -34.41 62.39 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.936 -0.574 . . . . 1.22 111.917 -171.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.1 tppt? -59.91 -43.89 94.59 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 121.126 -0.23 . . . . 2.32 110.615 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.9 t -67.29 -44.98 77.92 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.616 -0.513 . . . . 1.33 109.616 178.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.687 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 55.1 t60 -54.97 -52.23 63.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.654 -0.703 . . . . 0.43 110.126 175.289 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.427 ' ND2' ' HG ' ' A' ' 13' ' ' LEU . 82.4 m-20 -59.27 -38.59 80.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.48 -0.782 . . . . 0.54 111.948 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.527 ' CE1' HD11 ' A' ' 22' ' ' ILE . 12.9 t60 -60.22 -44.6 95.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.919 0.39 . . . . 0.52 110.754 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.577 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 44.1 m -73.43 -24.4 60.24 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.076 -0.511 . . . . 0.43 111.248 -177.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.687 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 2.5 mmmp? -57.62 -37.02 72.58 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.02 0.438 . . . . 1.59 111.037 -178.63 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 42.0 m -93.18 1.15 57.24 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.737 -0.665 . . . . 1.93 112.095 -174.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.54 HG21 ' HG2' ' A' ' 23' ' ' LYS . 52.3 mt -92.08 135.06 28.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.656 -0.418 . . . . 1.17 110.061 176.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.54 ' HG2' HG21 ' A' ' 22' ' ' ILE . 8.6 ptmt 11.85 -93.84 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.264 1.426 . . . . 2.41 114.473 -172.37 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -128.74 28.29 4.21 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.897 -0.668 . . . . 0.64 111.85 -179.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.577 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 14.3 m-30 -68.1 146.38 53.52 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.297 0.57 . . . . 1.19 110.839 178.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.5 ttpp -92.62 -49.86 5.89 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.26 -0.882 . . . . 2.26 111.03 -175.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -153.97 -177.84 27.81 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.635 -0.793 . . . . 0.29 111.479 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.549 ' HA3' ' SG ' ' A' ' 19' ' ' CYS . . . -150.16 144.83 12.4 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.304 -0.951 . . . . 0.35 112.634 -179.664 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.435 ' O ' ' HD2' ' A' ' 29' ' ' TYR . 0.1 OUTLIER -147.53 153.13 39.11 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.423 0.63 . . . . 1.2 111.072 178.621 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.623 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 32.3 m -84.15 101.93 12.2 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.636 -0.711 . . . . 0.58 109.906 -176.047 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.57 -52.99 58.65 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 115.261 -0.881 . . . . 1.05 111.995 -168.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -90.85 50.65 1.83 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.33 0.586 . . . . 3.31 110.345 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 85.34 -66.11 3.87 Favored Glycine 0 N--CA 1.441 -0.98 0 N-CA-C 110.976 -0.85 . . . . 1.69 110.976 176.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.466 ' HA2' ' HB3' ' A' ' 30' ' ' CYS . . . -167.45 32.14 0.2 Allowed Glycine 0 N--CA 1.444 -0.789 0 CA-C-N 114.914 -0.643 . . . . 0.89 112.075 -177.486 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -108.02 -30.12 8.62 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.73 0.3 . . . . 1.24 111.484 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.623 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 2.2 p -131.97 135.35 58.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.116 -0.493 . . . . 1.43 110.805 -175.665 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 39.9 t -97.87 94.38 6.87 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.186 -0.672 . . . . 1.27 109.186 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.4 tptt -84.49 141.0 31.07 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.49 -0.777 . . . . 2.06 110.281 -179.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 36.9 m -124.06 156.89 35.75 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.746 -0.661 . . . . 0.36 109.84 -177.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.4 p90 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.861 -0.59 . . . . 1.15 109.694 -179.37 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.889 0 N-CA-C 112.279 -0.329 . . . . 2.29 112.279 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -128.79 63.91 1.46 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.304 0.573 . . . . 1.21 110.129 178.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 86.38 -50.07 4.17 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.513 -0.767 . . . . 0.95 111.516 -177.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.876 ' SG ' ' HA2' ' A' ' 34' ' ' GLY . 5.9 t -81.04 109.89 16.04 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.713 -0.847 . . . . 1.67 108.713 175.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -119.2 21.86 12.08 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.868 -0.605 . . . . 1.77 111.006 -174.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 139.27 179.75 17.82 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.695 -0.764 . . . . 0.69 111.579 -175.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -48.41 -59.0 1.41 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 123.673 2.915 . . . . 0.79 113.116 -178.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -70.97 -26.05 62.99 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.471 0.653 . . . . 3.03 110.614 -176.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -89.18 -1.18 57.98 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.262 -0.881 . . . . 2.45 111.267 -175.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.816 ' HA ' ' SG ' ' A' ' 4' ' ' CYS . 9.9 mt-10 -53.22 126.36 20.7 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.449 0.642 . . . . 1.86 112.561 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -140.95 98.05 3.31 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.016 -0.993 . . . . 2.14 108.56 174.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -53.54 -43.12 68.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.884 -1.053 . . . . 2.02 112.01 -173.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.8 tp -72.68 -31.37 64.99 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.254 -0.43 . . . . 1.22 111.653 -174.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -64.11 -45.6 87.88 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.88 -0.328 . . . . 2.32 110.458 177.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 74.7 m -63.39 -43.62 97.05 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.295 -0.631 . . . . 1.33 109.295 175.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.68 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 48.3 t60 -55.75 -55.06 36.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.988 -1.006 . . . . 0.43 110.45 177.008 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -57.8 -35.99 71.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.521 -0.763 . . . . 0.54 112.206 -178.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.525 ' CE1' HD13 ' A' ' 22' ' ' ILE . 14.8 t60 -62.16 -45.2 94.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.061 0.458 . . . . 0.52 110.359 178.394 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.589 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 35.4 m -71.27 -27.08 63.19 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.93 -0.577 . . . . 0.43 110.71 -177.579 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.68 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 2.4 mmmp? -58.91 -35.65 73.42 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.979 0.418 . . . . 1.59 111.082 -178.453 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.0 m -85.26 -4.02 59.02 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.046 -0.525 . . . . 1.93 111.507 -175.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.525 HD13 ' CE1' ' A' ' 18' ' ' HIS . 36.4 mt -99.95 136.67 30.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.575 0.226 . . . . 1.17 110.894 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.516 ' HG2' HG23 ' A' ' 22' ' ' ILE . 13.0 ptpt 13.05 -100.34 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.059 0 O-C-N 125.086 1.491 . . . . 2.41 114.597 -176.138 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.54 26.13 5.79 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 121.11 -0.566 . . . . 0.64 112.608 -176.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.589 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 13.6 m-30 -65.0 143.24 58.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.112 0.482 . . . . 1.19 110.459 178.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -90.56 -44.38 9.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.715 -0.675 . . . . 2.26 110.303 -178.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -160.58 -174.0 29.85 Favored Glycine 0 N--CA 1.437 -1.28 0 C-N-CA 120.355 -0.926 . . . . 0.29 112.177 -178.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.565 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -154.86 160.24 29.55 Favored Glycine 0 N--CA 1.443 -0.892 0 N-CA-C 111.55 -0.62 . . . . 0.35 111.55 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.9 p90 -160.67 158.37 28.69 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 110.238 -0.282 . . . . 1.2 110.238 -177.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.573 ' SG ' ' HG2' ' A' ' 10' ' ' GLU . 5.6 m -71.81 115.9 11.56 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.032 -0.729 . . . . 0.58 109.032 177.075 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.1 -39.0 14.94 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.036 0.445 . . . . 1.05 111.905 -172.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.438 ' HE3' ' HA ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -129.64 71.54 1.44 Allowed 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 120.843 -0.343 . . . . 3.31 111.87 -176.692 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 69.32 39.36 81.54 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.715 -0.755 . . . . 1.69 112.408 171.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.876 ' HA2' ' SG ' ' A' ' 4' ' ' CYS . . . 75.02 -4.49 38.64 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.851 -0.69 . . . . 0.89 113.9 178.096 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -80.4 -12.69 59.54 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.937 0.369 . . . . 1.24 111.654 -176.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 1.5 p -152.12 132.16 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.95 0.405 . . . . 1.43 111.659 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 99.9 m -96.78 92.38 6.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.619 -0.719 . . . . 1.27 109.781 174.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.553 ' HG2' ' N ' ' A' ' 39' ' ' CYS . 40.1 tttp -73.29 159.78 32.86 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.725 -0.472 . . . . 2.06 109.725 177.131 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.553 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 56.2 m -127.82 158.62 37.24 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.791 -0.448 . . . . 0.36 109.791 -178.396 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 18.8 p90 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.733 -0.651 . . . . 1.15 109.655 179.764 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.729 0 N-CA-C 111.967 -0.453 . . . . 2.29 111.967 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.462 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 93.4 m-85 -124.48 64.61 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.156 0.503 . . . . 1.21 110.708 178.314 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.495 ' HA3' ' HG2' ' A' ' 14' ' ' LYS . . . 108.6 -56.56 0.46 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.72 -0.752 . . . . 0.95 113.672 175.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.782 ' SG ' ' HA2' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -58.45 -61.86 2.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 119.684 -0.198 . . . . 1.67 111.145 -177.261 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 17.2 m120 57.09 31.89 20.75 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 120.959 0.409 . . . . 1.77 111.887 175.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 97.5 168.91 32.77 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.542 -0.837 . . . . 0.69 112.666 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -52.31 -36.7 69.24 Favored 'Trans proline' 0 N--CA 1.475 0.392 0 C-N-CA 124.38 3.387 . . . . 0.79 114.171 -177.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 3.4 m95 -54.54 -41.97 70.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.682 -0.69 . . . . 3.03 111.293 -173.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.3 -61.47 1.48 Allowed 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.956 -0.757 . . . . 2.45 108.956 -179.129 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.655 ' HA ' ' SG ' ' A' ' 4' ' ' CYS . 13.4 tt0 50.9 57.0 7.13 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.916 -1.038 . . . . 1.86 112.129 172.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.554 ' H ' ' HA ' ' A' ' 4' ' ' CYS . 6.2 t70 -82.63 89.61 6.73 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.049 -0.722 . . . . 2.14 109.049 173.094 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.606 ' HA ' ' SG ' ' A' ' 30' ' ' CYS . 16.3 t70 -67.24 -36.73 82.25 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.825 -0.625 . . . . 2.02 111.053 -174.427 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 25.2 tp -65.57 -34.22 77.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.872 -0.604 . . . . 1.22 111.106 -178.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.495 ' HG2' ' HA3' ' A' ' 3' ' ' GLY . 4.6 tppt? -60.29 -43.21 96.46 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 110.011 -0.366 . . . . 2.32 110.011 176.503 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 71.1 m -58.67 -46.54 86.99 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 121.228 0.537 . . . . 1.33 109.795 175.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.679 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 70.8 t60 -57.58 -55.58 32.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.25 -0.886 . . . . 0.43 110.355 176.448 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -57.63 -36.06 71.32 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.64 -0.709 . . . . 0.54 112.069 -178.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.474 ' CE1' HD11 ' A' ' 22' ' ' ILE . 19.9 t60 -60.64 -48.15 83.08 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.694 0.283 . . . . 0.52 110.983 178.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.467 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 34.2 m -70.32 -23.45 62.84 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.379 -0.373 . . . . 0.43 111.072 -176.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.679 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 1.9 mmmp? -60.49 -33.46 72.64 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.98 0.419 . . . . 1.59 111.302 -178.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.4 m -95.05 4.53 53.64 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.005 -0.543 . . . . 1.93 111.673 -175.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.476 HG21 ' HG2' ' A' ' 23' ' ' LYS . 43.5 mt -95.96 135.52 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 110.223 -0.288 . . . . 1.17 110.223 176.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.476 ' HG2' HG21 ' A' ' 22' ' ' ILE . 1.1 ptpp? 12.75 -92.45 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.007 0 O-C-N 125.072 1.483 . . . . 2.41 114.623 -174.179 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.47 26.69 3.47 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.626 -0.797 . . . . 0.64 112.702 -177.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.467 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 13.3 m-30 -63.95 153.98 35.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.349 0.595 . . . . 1.19 110.982 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.449 ' HB3' ' O ' ' A' ' 40' ' ' TYR . 77.0 tttt -89.74 -46.34 8.67 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.38 -0.827 . . . . 2.26 110.374 -178.606 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -168.12 -167.63 29.06 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.773 -0.727 . . . . 0.29 112.137 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -152.93 166.33 31.4 Favored Glycine 0 N--CA 1.446 -0.687 0 N-CA-C 111.38 -0.688 . . . . 0.35 111.38 178.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.401 ' CE2' ' HD3' ' A' ' 38' ' ' LYS . 12.8 p90 -163.11 157.61 20.88 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.842 0.353 . . . . 1.2 110.4 -179.728 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.606 ' SG ' ' HA ' ' A' ' 12' ' ' ASP . 35.5 m -77.47 106.73 9.43 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.337 -0.616 . . . . 0.58 109.337 176.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.27 -45.95 18.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.291 -0.413 . . . . 1.05 111.929 -171.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -105.76 50.15 0.79 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.505 -0.316 . . . . 3.31 111.117 -176.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.41 38.42 93.54 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.694 -0.765 . . . . 1.69 112.815 174.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.782 ' HA2' ' SG ' ' A' ' 4' ' ' CYS . . . 99.51 -14.65 60.61 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.562 -0.827 . . . . 0.89 113.412 176.389 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -76.36 -9.66 58.81 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 112.296 0.48 . . . . 1.24 112.296 -176.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.516 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 3.5 p -159.62 135.53 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.187 0.518 . . . . 1.43 111.745 -177.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.462 ' SG ' ' HB2' ' A' ' 2' ' ' PHE . 66.0 m -99.56 90.77 4.61 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.129 -0.942 . . . . 1.27 109.251 175.693 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.553 ' HG2' ' N ' ' A' ' 39' ' ' CYS . 38.9 tttp -78.44 158.59 28.63 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.455 -0.572 . . . . 2.06 109.455 178.331 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.553 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 35.2 m -125.63 153.04 44.37 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.497 -0.557 . . . . 0.36 109.497 -178.536 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.449 ' O ' ' HB3' ' A' ' 26' ' ' LYS . 21.4 p90 . . . . . 0 C--O 1.246 0.899 0 CA-C-O 118.071 -0.966 . . . . 1.15 109.387 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.839 0 N-CA-C 112.083 -0.407 . . . . 2.29 112.083 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 51.71 61.88 2.99 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 123.046 0.538 . . . . 1.21 111.936 178.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.415 ' HA3' ' HB3' ' A' ' 14' ' ' LYS . . . 88.09 -38.36 3.19 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.73 -0.748 . . . . 0.95 112.986 175.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.861 ' SG ' ' HA2' ' A' ' 34' ' ' GLY . 35.9 t -81.14 -42.27 21.16 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.014 -0.365 . . . . 1.67 110.014 178.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 65.0 -39.31 0.26 Allowed 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 115.517 1.673 . . . . 1.77 115.517 170.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.432 ' C ' ' HA3' ' A' ' 34' ' ' GLY . . . 173.3 -177.06 45.88 Favored Glycine 0 N--CA 1.443 -0.837 0 N-CA-C 111.558 -0.617 . . . . 0.69 111.558 -173.347 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -61.63 -43.15 28.25 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 122.738 2.292 . . . . 0.79 112.421 -175.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -73.79 -28.09 61.47 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.32 -0.855 . . . . 3.03 110.706 -175.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.496 ' HB2' ' O ' ' A' ' 4' ' ' CYS . 10.3 mm100 -98.58 -4.09 34.86 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.261 -0.881 . . . . 2.45 110.921 -171.451 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.768 ' HG2' ' SG ' ' A' ' 4' ' ' CYS . 0.8 OUTLIER -46.87 97.52 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 O-C-N 124.289 0.993 . . . . 1.86 113.45 -174.103 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -114.25 111.16 21.08 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.837 -0.801 . . . . 2.14 108.837 170.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -61.83 -39.46 91.87 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.295 -0.866 . . . . 2.02 111.784 -173.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.428 ' HG ' ' ND2' ' A' ' 17' ' ' ASN . 23.8 tp -71.39 -39.61 71.06 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 120.748 -0.381 . . . . 1.22 111.192 -176.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.415 ' HB3' ' HA3' ' A' ' 3' ' ' GLY . 7.0 mmmm -58.58 -43.92 89.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.697 0.284 . . . . 2.32 110.86 176.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.4 t -64.83 -42.9 94.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.291 0.567 . . . . 1.33 109.631 177.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.672 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 63.0 t60 -58.55 -52.29 66.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.48 -0.782 . . . . 0.43 110.165 176.51 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.428 ' ND2' ' HG ' ' A' ' 13' ' ' LEU . 86.1 m-20 -61.17 -33.89 74.15 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.286 -0.87 . . . . 0.54 112.541 -178.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.474 ' CE1' HD12 ' A' ' 22' ' ' ILE . 9.8 t60 -58.24 -46.74 85.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.05 0.452 . . . . 0.52 110.178 177.168 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.504 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 34.0 m -72.54 -20.27 61.37 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.999 -0.546 . . . . 0.43 110.766 -178.559 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.672 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 28.9 mmmt -69.24 -20.53 63.95 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.11 0.481 . . . . 1.59 110.335 178.178 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.2 m -91.28 -5.63 54.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.846 -0.615 . . . . 1.93 110.897 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.513 HG22 ' HG2' ' A' ' 23' ' ' LYS . 30.2 mt -102.11 137.17 30.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.62 -0.264 . . . . 1.17 110.865 -177.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.513 ' HG2' HG22 ' A' ' 22' ' ' ILE . 8.2 ptpt 10.17 -92.77 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.039 0 O-C-N 125.175 1.547 . . . . 2.41 114.805 -175.163 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.11 24.32 3.8 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.671 -0.776 . . . . 0.64 112.502 -177.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.504 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 14.2 m-30 -62.4 146.14 52.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.207 0.527 . . . . 1.19 110.888 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -82.49 -44.7 15.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.435 -0.802 . . . . 2.26 110.614 -177.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -170.15 -167.11 30.14 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.649 -0.786 . . . . 0.29 112.226 -178.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.599 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -153.75 156.72 26.97 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 121.125 -0.559 . . . . 0.35 112.29 -178.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.503 ' CE2' ' HD2' ' A' ' 38' ' ' LYS . 2.7 p90 -157.45 151.85 25.0 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.69 -0.485 . . . . 1.2 109.69 179.1 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.491 ' SG ' ' HG2' ' A' ' 10' ' ' GLU . 3.5 m -77.55 120.96 23.24 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.055 -0.52 . . . . 0.58 109.667 -177.203 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.44 -47.9 10.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.417 -0.356 . . . . 1.05 111.921 -171.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -131.54 77.13 1.75 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.948 0.404 . . . . 3.31 111.157 -175.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 73.77 44.08 32.97 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.82 -0.705 . . . . 1.69 112.871 170.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.861 ' HA2' ' SG ' ' A' ' 4' ' ' CYS . . . 77.7 -36.66 1.63 Allowed Glycine 0 CA--C 1.517 0.173 0 N-CA-C 114.478 0.551 . . . . 0.89 114.478 173.455 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -51.73 -48.47 63.61 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.327 0.491 . . . . 1.24 112.327 -175.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.5 p -104.5 123.67 58.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.519 0.676 . . . . 1.43 111.517 -177.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.3 t -97.96 90.34 4.88 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.642 -1.163 . . . . 1.27 109.124 179.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.503 ' HD2' ' CE2' ' A' ' 29' ' ' TYR . 8.9 tmtm? -81.85 144.74 30.81 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.703 -0.68 . . . . 2.06 109.998 -176.723 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.3 m -115.02 151.92 33.36 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.937 0.398 . . . . 0.36 110.603 -176.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 23.7 p90 . . . . . 0 C--O 1.246 0.91 0 N-CA-C 109.375 -0.602 . . . . 1.15 109.375 -179.571 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.722 0 N-CA-C 112.132 -0.387 . . . . 2.29 112.132 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -131.84 61.13 1.66 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.25 0.548 . . . . 1.21 110.112 -178.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 88.33 -57.52 4.22 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.631 -0.713 . . . . 0.95 111.807 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.694 ' SG ' ' HG3' ' A' ' 10' ' ' GLU . 10.8 m -87.72 93.18 9.37 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 122.184 0.992 . . . . 1.67 111.297 -178.137 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -115.92 46.42 1.54 Allowed 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 113.606 -1.634 . . . . 1.77 109.022 176.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 100.12 160.43 28.39 Favored Glycine 0 N--CA 1.441 -0.983 0 N-CA-C 110.82 -0.912 . . . . 0.69 110.82 -171.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -45.45 -37.98 15.31 Favored 'Trans proline' 0 CA--C 1.53 0.321 0 C-N-CA 124.078 3.185 . . . . 0.79 113.773 -178.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -64.33 -32.64 74.32 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.952 -0.567 . . . . 3.03 111.614 -174.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.59 -16.57 14.32 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.408 -0.36 . . . . 2.45 110.502 -176.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.694 ' HG3' ' SG ' ' A' ' 4' ' ' CYS . 50.4 tt0 -36.54 117.44 0.49 Allowed 'General case' 0 C--O 1.236 0.363 0 O-C-N 124.444 1.09 . . . . 1.86 113.669 -175.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -135.63 106.16 6.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.975 -1.012 . . . . 2.14 108.744 174.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -60.25 -41.78 93.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.421 -0.809 . . . . 2.02 111.485 -173.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 22.9 tp -72.59 -34.63 67.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.263 -0.426 . . . . 1.22 111.564 -175.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.7 tppt? -58.1 -44.01 87.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.82 0.343 . . . . 2.32 110.163 177.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.1 t -66.39 -44.02 84.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.941 -0.572 . . . . 1.33 109.763 177.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.501 ' NE2' ' HD2' ' A' ' 20' ' ' LYS . 75.1 t60 -56.07 -46.26 79.04 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.558 -0.746 . . . . 0.43 109.919 176.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -66.42 -35.17 79.64 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.558 -0.746 . . . . 0.54 111.783 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.521 ' CE1' HD13 ' A' ' 22' ' ' ILE . 7.4 t60 -62.87 -50.91 69.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.775 0.321 . . . . 0.52 111.117 179.424 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.544 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 60.9 m -66.89 -31.42 72.0 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.282 -0.417 . . . . 0.43 111.616 -174.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.501 ' HD2' ' NE2' ' A' ' 16' ' ' HIS . 29.4 mtpp -74.38 -12.18 60.45 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.991 0.424 . . . . 1.59 111.522 -177.351 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.3 t -87.98 -4.78 58.77 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.314 0.578 . . . . 1.93 109.442 174.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.521 HD13 ' CE1' ' A' ' 18' ' ' HIS . 36.3 mt -102.16 154.33 5.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-N 115.614 -0.721 . . . . 1.17 109.554 178.184 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.494 ' HG2' HG21 ' A' ' 22' ' ' ILE . 2.2 ptmm? -24.36 -98.44 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 116.084 1.883 . . . . 2.41 116.084 -172.377 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -102.74 10.89 56.13 Favored Glycine 0 CA--C 1.509 -0.337 0 C-N-CA 120.511 -0.852 . . . . 0.64 112.76 -171.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.544 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 4.5 m-30 -64.43 128.85 37.56 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.727 -0.471 . . . . 1.19 109.727 179.203 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -80.6 -42.04 22.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.358 0.599 . . . . 2.26 110.346 -177.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -163.13 -172.04 30.13 Favored Glycine 0 N--CA 1.439 -1.152 0 CA-C-N 115.369 -0.832 . . . . 0.29 111.5 -179.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.498 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -146.17 153.95 25.64 Favored Glycine 0 N--CA 1.444 -0.81 0 N-CA-C 111.212 -0.755 . . . . 0.35 111.212 178.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.56 ' CE2' ' HD2' ' A' ' 38' ' ' LYS . 12.7 p90 -152.82 154.67 35.62 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.231 0.539 . . . . 1.2 110.267 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.614 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 9.7 m -90.89 90.52 7.94 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 121.657 0.742 . . . . 0.58 109.631 -177.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.44 -57.01 14.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.205 -1.361 . . . . 1.05 112.719 -167.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -88.87 40.39 0.97 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.574 -0.284 . . . . 3.31 111.444 -173.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 70.45 47.59 41.85 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.47 -0.871 . . . . 1.69 112.331 175.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.93 -13.31 67.96 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.617 -0.802 . . . . 0.89 113.376 176.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -79.29 -22.43 44.63 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 117.155 0.477 . . . . 1.24 112.2 -176.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.614 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 1.7 m -132.5 152.06 35.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.267 -0.573 . . . . 1.43 110.767 178.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 48.5 t -111.51 93.15 4.32 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.669 -0.696 . . . . 1.27 109.19 171.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.56 ' HD2' ' CE2' ' A' ' 29' ' ' TYR . 8.5 tmtm? -97.86 148.36 23.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.328 -0.396 . . . . 2.06 110.261 -177.201 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 22.2 m -117.42 153.76 32.53 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.349 -0.387 . . . . 0.36 110.53 -177.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 10.3 p90 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.369 -0.824 . . . . 1.15 109.928 -179.723 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.528 ' HA3' ' OD1' ' A' ' 5' ' ' ASN . . . . . . . . 0 N--CA 1.48 1.597 0 N-CA-C 112.054 -0.419 . . . . 2.29 112.054 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -124.07 8.57 8.62 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.075 0.464 . . . . 1.21 110.311 -179.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 143.4 -58.39 0.54 Allowed Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.288 -0.725 . . . . 0.95 111.288 -172.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.573 ' HA ' ' HA ' ' A' ' 10' ' ' GLU . 33.8 m -81.24 71.91 8.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.651 0.739 . . . . 1.67 109.274 174.615 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.528 ' OD1' ' HA3' ' A' ' 1' ' ' GLY . 15.7 m-20 -91.61 39.6 1.01 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.648 -0.705 . . . . 1.77 109.959 -176.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 102.31 161.7 26.3 Favored Glycine 0 N--CA 1.443 -0.892 0 N-CA-C 110.683 -0.967 . . . . 0.69 110.683 -172.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -46.41 -42.99 22.51 Favored 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 123.718 2.946 . . . . 0.79 113.715 -175.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -67.74 -30.38 69.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.177 -0.465 . . . . 3.03 111.743 -174.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.422 HE21 ' HB3' ' A' ' 9' ' ' GLN . 0.1 OUTLIER -105.26 -12.23 16.17 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.307 -0.406 . . . . 2.45 110.573 -173.853 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.573 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 0.6 OUTLIER -45.72 108.06 0.12 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.872 -1.058 . . . . 1.86 112.522 -174.588 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -114.39 137.68 51.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.58 -0.737 . . . . 2.14 109.98 176.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -77.51 -31.74 53.7 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.163 -0.926 . . . . 2.02 112.294 -169.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.5 tp -100.28 -29.74 12.27 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 112.002 0.371 . . . . 1.22 112.002 -173.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -54.23 -48.66 70.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.754 0.311 . . . . 2.32 111.803 -177.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.416 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 39.9 m -78.52 -24.59 45.68 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.38 -0.528 . . . . 1.33 111.254 -176.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.692 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 61.6 t60 -64.33 -50.74 66.57 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.56 -0.904 . . . . 0.43 108.56 169.346 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 55.9 m-20 -57.18 -38.84 74.2 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.122 -0.945 . . . . 0.54 112.006 178.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.495 ' CE1' HD11 ' A' ' 22' ' ' ILE . 16.5 t60 -59.48 -47.6 84.88 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.305 -0.407 . . . . 0.52 110.936 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.557 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 31.3 m -71.71 -20.07 61.97 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.454 -0.339 . . . . 0.43 110.994 -176.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.692 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 1.9 mmmp? -65.18 -26.81 68.32 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.885 0.374 . . . . 1.59 110.695 -179.39 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.4 m -97.71 6.92 47.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.959 -0.564 . . . . 1.93 111.291 -177.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.521 HG21 ' HG2' ' A' ' 23' ' ' LYS . 32.7 mt -106.22 136.88 39.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 110.08 -0.341 . . . . 1.17 110.08 175.56 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.521 ' HG2' HG21 ' A' ' 22' ' ' ILE . 8.6 ptpt 9.53 -97.93 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.045 0 O-C-N 125.111 1.507 . . . . 2.41 114.556 -174.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -126.65 29.21 4.52 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.687 -0.768 . . . . 0.64 112.428 -178.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.557 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 13.8 m-30 -70.1 132.73 46.28 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.906 0.384 . . . . 1.19 109.998 177.032 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -83.24 -37.2 23.87 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.809 -0.632 . . . . 2.26 111.112 -175.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -163.22 -178.69 37.18 Favored Glycine 0 N--CA 1.441 -0.975 0 C-N-CA 120.404 -0.903 . . . . 0.29 112.037 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.52 ' HA3' ' SG ' ' A' ' 19' ' ' CYS . . . -151.87 151.36 23.27 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 121.054 -0.593 . . . . 0.35 111.806 -179.456 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.539 ' HH ' ' HD3' ' A' ' 38' ' ' LYS . 8.7 p90 -159.53 158.69 32.27 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.797 0.332 . . . . 1.2 110.348 -176.093 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.71 119.62 20.75 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.943 -0.762 . . . . 0.58 108.943 177.225 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.79 -43.03 11.55 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 111.786 0.291 . . . . 1.05 111.786 -174.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -117.01 80.62 1.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.693 -0.403 . . . . 3.31 111.849 -175.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.16 33.65 48.91 Favored Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 121.168 -0.539 . . . . 1.69 113.641 167.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.0 24.07 67.51 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.355 -0.926 . . . . 0.89 112.853 179.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -111.67 -83.5 0.58 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.897 0.379 . . . . 1.24 111.795 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.6 p -70.56 115.55 10.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.617 0.722 . . . . 1.43 111.921 -174.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.526 ' SG ' ' HB2' ' A' ' 4' ' ' CYS . 76.6 m -83.57 89.77 7.15 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.576 -1.193 . . . . 1.27 110.618 176.039 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.539 ' HD3' ' HH ' ' A' ' 29' ' ' TYR . 35.7 tttp -73.18 158.86 34.44 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.025 -0.989 . . . . 2.06 109.73 176.149 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.534 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 32.1 m -129.32 158.5 38.94 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.473 -0.936 . . . . 0.36 108.473 178.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 9.9 p90 . . . . . 0 C--O 1.244 0.77 0 CA-C-O 118.972 -0.537 . . . . 1.15 110.617 179.738 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.593 0 N-CA-C 112.074 -0.41 . . . . 2.29 112.074 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -121.87 15.73 10.91 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.16 0.505 . . . . 1.21 110.354 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.462 ' C ' ' HB2' ' A' ' 11' ' ' ASP . . . 151.82 -71.69 0.29 Allowed Glycine 0 N--CA 1.444 -0.776 0 CA-C-N 115.456 -0.793 . . . . 0.95 111.438 -177.23 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.4 m -67.89 106.4 2.29 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-O 120.946 0.403 . . . . 1.67 110.106 178.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.435 ' HB2' ' HG3' ' A' ' 9' ' ' GLN . 15.6 m120 -107.98 42.59 1.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.969 -0.56 . . . . 1.77 110.376 178.642 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 121.16 169.81 13.85 Favored Glycine 0 N--CA 1.443 -0.872 0 C-N-CA 120.826 -0.702 . . . . 0.69 111.899 -177.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -49.78 -62.35 0.43 Allowed 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 123.812 3.008 . . . . 0.79 113.257 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.453 ' N ' ' CD1' ' A' ' 8' ' ' TRP . 0.2 OUTLIER -54.11 -26.8 29.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.369 -0.832 . . . . 3.03 112.255 -178.744 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.445 ' HG2' ' CD1' ' A' ' 8' ' ' TRP . 14.7 mm-40 -82.36 -73.86 0.37 Allowed 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.047 -0.524 . . . . 2.45 109.627 178.321 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 39.28 59.13 1.79 Allowed 'General case' 0 C--O 1.235 0.305 0 O-C-N 123.868 0.73 . . . . 1.86 112.315 -177.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.462 ' HB2' ' C ' ' A' ' 3' ' ' GLY . 1.4 m-20 -75.04 69.78 1.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.507 -0.77 . . . . 2.14 109.646 174.34 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -53.66 -50.38 65.9 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.541 -1.209 . . . . 2.02 111.412 -176.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.5 tp -66.73 -33.68 76.16 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.321 -0.854 . . . . 1.22 111.918 -175.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -37.56 77.75 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.681 -0.488 . . . . 2.32 109.681 179.551 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.41 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 67.6 m -71.04 -37.23 72.56 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 109.932 -0.396 . . . . 1.33 109.932 174.415 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.688 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 31.6 t60 -54.68 -57.96 9.42 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.615 -0.513 . . . . 0.43 109.615 171.059 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -59.3 -30.57 68.43 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.2 -0.909 . . . . 0.54 111.924 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.424 ' CE1' HD12 ' A' ' 22' ' ' ILE . 16.8 t60 -64.4 -49.7 70.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.713 0.292 . . . . 0.52 110.333 174.213 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.618 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 37.8 m -65.4 -30.7 71.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.366 -0.379 . . . . 0.43 110.633 -179.073 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.688 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 27.7 mmmt -55.63 -39.73 71.23 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.207 0.527 . . . . 1.59 110.7 178.044 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.5 m -82.28 -2.66 53.35 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.587 -0.733 . . . . 1.93 111.567 -176.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.439 HG22 ' HG2' ' A' ' 23' ' ' LYS . 39.0 mt -96.23 136.3 27.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.761 -0.459 . . . . 1.17 109.761 176.604 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.439 ' HG2' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER 10.88 -93.76 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.019 0 O-C-N 125.123 1.515 . . . . 2.41 114.319 -174.056 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.03 31.2 2.95 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.734 -0.746 . . . . 0.64 112.228 -178.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.618 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 13.3 m-30 -67.08 141.32 57.52 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.99 0.424 . . . . 1.19 110.528 178.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -87.17 -41.79 13.49 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.654 -0.703 . . . . 2.26 111.44 -174.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -160.62 -178.98 35.08 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.353 -0.927 . . . . 0.29 112.22 -178.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.466 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -156.83 151.65 23.03 Favored Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 111.732 -0.547 . . . . 0.35 111.732 -178.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.0 p90 -162.65 157.86 22.44 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.839 0.32 . . . . 1.2 110.675 -175.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.516 ' CB ' ' HA2' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -74.58 119.73 19.18 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.974 -0.75 . . . . 0.58 108.974 176.442 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.34 -49.74 7.04 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.131 0.419 . . . . 1.05 112.131 -172.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -117.73 79.45 1.36 Allowed 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.104 0.409 . . . . 3.31 112.104 -174.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.26 27.55 51.87 Favored Glycine 0 C--O 1.227 -0.301 0 C-N-CA 121.086 -0.578 . . . . 1.69 113.174 169.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.516 ' HA2' ' CB ' ' A' ' 30' ' ' CYS . . . 78.87 14.54 81.91 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.465 -0.874 . . . . 0.89 112.959 179.419 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -94.61 -74.06 0.56 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.241 0.543 . . . . 1.24 111.482 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.44 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 2.1 p -81.32 134.37 27.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.753 -0.658 . . . . 1.43 111.071 -178.651 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.41 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 66.5 m -106.55 101.35 10.81 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.553 0.692 . . . . 1.27 109.854 176.58 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.489 ' HG2' ' N ' ' A' ' 39' ' ' CYS . 38.9 tttp -82.62 160.5 22.46 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.775 -1.102 . . . . 2.06 109.931 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.489 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 29.9 m -131.91 152.64 50.93 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.969 -0.752 . . . . 0.36 108.969 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 31.8 p90 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 119.117 -0.468 . . . . 1.15 110.397 -179.948 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 . . . . . 0 N--CA 1.464 0.267 0 CA-C-O 121.143 0.497 . . . . 1.01 112.012 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.481 ' HA3' ' HB3' ' A' ' 14' ' ' LYS . . . 84.48 -36.42 2.95 Favored Glycine 0 N--CA 1.452 -0.238 0 CA-C-N 115.809 -0.632 . . . . 0.89 113.595 173.35 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.85 ' SG ' ' HG2' ' A' ' 10' ' ' GLU . 13.3 t -76.69 -57.46 3.84 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.053 -0.721 . . . . 1.67 109.053 177.457 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 26.9 m120 69.78 -46.12 0.59 Allowed 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.872 1.064 . . . . 1.68 113.872 169.381 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 174.96 -177.94 46.86 Favored Glycine 0 N--CA 1.442 -0.935 0 N-CA-C 111.646 -0.581 . . . . 0.55 111.646 -176.103 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -61.51 -34.22 86.04 Favored 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.823 2.349 . . . . 0.72 112.818 -175.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 2.1 m95 -56.75 -42.65 79.69 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.253 -0.885 . . . . 2.6 110.955 -174.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -105.83 -75.76 0.62 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.724 -0.671 . . . . 2.02 110.281 179.553 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.85 ' HG2' ' SG ' ' A' ' 4' ' ' CYS . 1.4 tm-20 58.13 74.98 0.4 Allowed 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 123.805 0.691 . . . . 1.86 112.091 176.183 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.51 ' H ' ' HA ' ' A' ' 4' ' ' CYS . 8.5 m-20 -97.42 99.21 10.64 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.61 -0.723 . . . . 2.14 109.355 170.42 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -60.2 -40.19 89.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.778 -0.646 . . . . 2.02 111.328 -175.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.7 tp -64.87 -30.61 71.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.276 -0.42 . . . . 0.54 111.156 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.481 ' HB3' ' HA3' ' A' ' 3' ' ' GLY . 25.3 mmmt -63.04 -44.22 96.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.975 0.417 . . . . 1.82 110.058 175.598 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.8 t -62.71 -47.38 83.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.667 -0.697 . . . . 1.33 109.446 175.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.728 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 47.6 t60 -51.97 -55.11 22.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.418 -0.81 . . . . 0.37 110.285 175.306 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -58.06 -37.03 73.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.465 -0.789 . . . . 0.54 112.375 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -60.31 -45.96 91.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.983 0.42 . . . . 0.46 110.323 177.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.53 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 23.7 m -69.83 -25.53 63.79 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.936 -0.575 . . . . 0.43 110.821 -178.542 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.728 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 27.8 mmmt -63.65 -31.33 72.47 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.21 0.528 . . . . 0.98 110.547 179.091 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.1 m -82.35 -6.54 59.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.667 -0.697 . . . . 1.35 111.2 -178.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.421 HG22 ' HG2' ' A' ' 23' ' ' LYS . 27.3 mt -96.98 144.67 10.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.898 -0.408 . . . . 0.41 109.898 179.448 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.421 ' HG2' HG22 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -6.32 -92.47 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 115.196 1.554 . . . . 1.92 115.196 -174.766 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -126.4 30.68 4.21 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.706 -0.759 . . . . 0.5 112.335 -176.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.53 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 8.5 m-30 -73.14 135.07 44.65 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.078 0.466 . . . . 0.72 109.86 177.587 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -82.12 -47.33 12.68 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.65 -0.704 . . . . 1.74 111.016 -174.26 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -158.24 -176.13 29.95 Favored Glycine 0 N--CA 1.44 -1.056 0 C-N-CA 120.58 -0.819 . . . . 0.25 111.541 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.49 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -148.04 149.94 22.08 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.5 -0.857 . . . . 0.35 112.103 -178.811 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.58 ' CE2' ' HD2' ' A' ' 38' ' ' LYS . 25.9 p90 -146.44 150.17 35.1 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.087 0.47 . . . . 0.89 110.28 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.41 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 3.4 m -75.06 118.86 18.47 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 109.064 -0.717 . . . . 0.58 109.064 177.364 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.475 ' HB3' HG13 ' A' ' 36' ' ' VAL . . . -84.47 -46.74 11.34 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.036 0.384 . . . . 0.42 112.036 -172.319 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -121.89 70.47 0.96 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 111.941 0.349 . . . . 2.82 111.941 -174.237 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 73.49 45.68 28.54 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.77 -0.729 . . . . 1.69 112.665 171.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.834 ' HA2' ' SG ' ' A' ' 4' ' ' CYS . . . 82.41 -31.6 2.92 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.964 -0.636 . . . . 0.89 113.717 176.674 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -54.63 -67.44 0.27 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.51 0.559 . . . . 1.09 112.51 -174.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.475 HG13 ' HB3' ' A' ' 31' ' ' ALA . 2.1 p -91.85 131.52 38.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 121.321 0.581 . . . . 0.79 112.162 -173.785 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.5 t -97.21 97.69 9.38 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.875 -1.057 . . . . 1.27 109.943 178.064 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.58 ' HD2' ' CE2' ' A' ' 29' ' ' TYR . 9.3 tmtm? -90.29 143.85 26.38 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.905 -0.589 . . . . 1.49 110.106 179.736 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.406 ' N ' ' HD3' ' A' ' 38' ' ' LYS . 35.9 m -123.74 156.86 35.23 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.013 -0.54 . . . . 0.36 110.287 -174.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 13.5 p90 . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.341 -0.838 . . . . 1.15 110.449 179.056 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 . . . . . 0 CA--C 1.522 -0.133 0 CA-C-O 120.902 0.382 . . . . 1.01 111.098 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 170.59 -79.65 0.09 OUTLIER Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.618 -0.801 . . . . 0.89 112.139 -177.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.416 ' O ' ' HB2' ' A' ' 5' ' ' ASN . 39.1 m -55.91 -54.84 39.76 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 111.452 0.167 . . . . 1.67 111.452 -177.113 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' A' ' 4' ' ' CYS . 32.2 m-80 71.11 -50.31 0.68 Allowed 'General case' 0 C--N 1.342 0.249 0 C-N-CA 123.751 0.82 . . . . 1.68 112.649 176.09 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -178.24 151.67 10.83 Favored Glycine 0 N--CA 1.44 -1.098 0 N-CA-C 111.04 -0.824 . . . . 0.55 111.04 -177.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -41.21 -38.69 3.47 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 124.532 3.488 . . . . 0.72 114.169 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -53.74 -42.83 68.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.491 -0.777 . . . . 2.6 111.168 -175.713 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.448 ' HG3' ' H ' ' A' ' 10' ' ' GLU . 6.9 pt20 -108.98 -56.6 2.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.769 -0.65 . . . . 2.02 110.419 -179.254 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.448 ' H ' ' HG3' ' A' ' 9' ' ' GLN . 7.7 tt0 50.95 61.6 3.16 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.77 -0.65 . . . . 1.86 111.886 175.151 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.492 ' HB3' ' HB2' ' A' ' 14' ' ' LYS . 14.4 m-20 -72.21 90.2 1.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 2.14 110.346 178.125 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -63.91 -55.26 23.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.514 -0.767 . . . . 2.02 111.827 -174.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 45.1 tp -68.03 -30.5 69.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.407 -0.36 . . . . 0.54 111.081 -175.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.492 ' HB2' ' HB3' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -67.45 -35.2 78.74 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.771 -0.455 . . . . 1.82 109.771 177.92 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 52.7 t -65.63 -46.72 78.15 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.148 -0.686 . . . . 1.33 109.148 173.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.717 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 58.0 t60 -53.23 -52.48 58.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.197 -0.91 . . . . 0.37 110.297 175.031 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -61.83 -32.17 72.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.637 -0.71 . . . . 0.54 112.462 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.487 ' CE1' HD11 ' A' ' 22' ' ' ILE . 16.2 t60 -61.11 -47.17 87.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.045 0.45 . . . . 0.46 109.841 175.672 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.533 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 34.9 m -69.64 -27.46 65.07 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.893 -0.594 . . . . 0.43 110.797 -178.613 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.717 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 1.9 mmmp? -61.83 -30.89 71.14 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 121.391 0.615 . . . . 0.98 110.283 177.389 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.1 m -89.67 2.95 54.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.277 -0.874 . . . . 1.35 111.253 -175.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.619 HG22 ' HG2' ' A' ' 23' ' ' LYS . 31.0 mt -105.23 135.84 41.62 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 CA-C-N 116.414 -0.357 . . . . 0.41 110.091 175.52 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.619 ' HG2' HG22 ' A' ' 22' ' ' ILE . 1.6 ptpp? 7.87 -100.09 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.061 0 O-C-N 125.186 1.554 . . . . 1.92 114.624 -174.628 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.24 30.24 4.82 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.759 -0.734 . . . . 0.5 112.414 -177.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.533 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 12.1 m-30 -65.7 149.97 49.26 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.122 0.487 . . . . 0.72 110.349 177.748 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.501 ' HB3' ' OXT' ' A' ' 40' ' ' TYR . 58.5 tttp -89.53 -49.18 6.83 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.76 -0.655 . . . . 1.74 110.72 -175.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -163.89 -172.72 31.72 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.326 -0.94 . . . . 0.25 112.422 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.455 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -145.93 156.6 27.05 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 121.138 -0.554 . . . . 0.35 111.806 179.37 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.473 ' CE2' ' HD3' ' A' ' 38' ' ' LYS . 13.9 p90 -157.78 161.94 38.46 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.16 0.505 . . . . 0.89 110.884 -177.799 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.487 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 3.6 m -82.97 108.78 16.53 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.679 -0.691 . . . . 0.58 110.043 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.47 ' HB3' ' CG2' ' A' ' 36' ' ' VAL . . . -80.17 -62.04 1.8 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.34 0.59 . . . . 0.42 111.159 -176.536 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.674 ' HB3' HG13 ' A' ' 36' ' ' VAL . 51.3 tptt -88.27 54.21 2.99 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.907 -0.588 . . . . 2.82 111.193 -175.081 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.76 34.23 86.68 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.974 -0.631 . . . . 1.69 113.122 171.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.487 ' HA2' ' HB3' ' A' ' 30' ' ' CYS . . . 100.04 -26.97 22.46 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.481 -0.866 . . . . 0.89 113.117 177.344 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -67.67 -19.59 65.2 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.259 0.466 . . . . 1.09 112.259 -174.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.674 HG13 ' HB3' ' A' ' 32' ' ' LYS . 1.3 m -126.99 161.94 32.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.538 -0.465 . . . . 0.79 110.483 -179.048 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 40.6 t -124.47 98.8 5.9 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.932 -0.766 . . . . 1.27 108.932 175.265 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.598 ' HG2' ' N ' ' A' ' 39' ' ' CYS . 45.6 tttp -94.71 160.83 14.44 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.368 -0.378 . . . . 1.49 110.228 -178.289 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.598 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 62.4 m -126.15 158.93 34.27 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.89 -0.411 . . . . 0.36 109.89 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.501 ' OXT' ' HB3' ' A' ' 26' ' ' LYS . 34.0 p90 . . . . . 0 C--O 1.248 0.979 0 N-CA-C 109.138 -0.69 . . . . 1.15 109.138 176.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 . . . . . 0 N--CA 1.454 -0.232 0 CA-C-O 121.321 0.582 . . . . 1.01 110.385 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 102.33 -57.7 0.61 Allowed Glycine 0 N--CA 1.444 -0.806 0 CA-C-N 115.561 -0.745 . . . . 0.89 111.416 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.6 m -70.74 103.69 2.65 Favored 'General case' 0 N--CA 1.441 -0.906 0 N-CA-C 109.874 -0.417 . . . . 1.67 109.874 177.398 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.533 ' H ' ' HB2' ' A' ' 9' ' ' GLN . 79.3 m-20 -117.62 38.24 3.67 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.449 0.642 . . . . 1.68 109.888 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 120.11 162.27 11.8 Favored Glycine 0 N--CA 1.441 -0.998 0 N-CA-C 110.8 -0.92 . . . . 0.55 110.8 -174.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.56 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 2.9 Cg_endo -49.77 -34.58 36.38 Favored 'Trans proline' 0 CA--C 1.528 0.212 0 C-N-CA 123.427 2.752 . . . . 0.72 113.149 179.549 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 3.0 m95 -82.85 -15.62 50.81 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.842 -0.617 . . . . 2.6 111.329 -174.316 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.533 ' HB2' ' H ' ' A' ' 5' ' ' ASN . 4.4 mt-30 -108.18 -2.4 19.44 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.22 -0.445 . . . . 2.02 110.107 -176.449 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.502 ' HG2' ' SG ' ' A' ' 30' ' ' CYS . 0.3 OUTLIER -41.56 115.71 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.629 -1.168 . . . . 1.86 111.761 177.784 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -137.19 116.64 12.79 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.887 -0.597 . . . . 2.14 109.805 177.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -63.9 -44.78 91.93 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.764 -1.107 . . . . 2.02 111.627 -176.318 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.0 tp -72.79 -36.41 67.58 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 111.974 0.361 . . . . 0.54 111.974 -172.492 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -60.15 -45.92 91.42 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.799 0.333 . . . . 1.82 110.527 177.078 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.1 t -67.91 -40.41 83.4 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.508 -0.553 . . . . 1.33 109.508 177.309 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.716 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 49.6 t60 -55.34 -53.3 57.93 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 115.821 -0.627 . . . . 0.37 110.031 175.706 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 58.2 m-20 -56.48 -37.78 70.83 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.097 -0.956 . . . . 0.54 111.98 -179.392 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -60.53 -47.22 87.12 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.098 0.475 . . . . 0.46 110.767 176.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.44 ' SG ' ' HA3' ' A' ' 28' ' ' GLY . 30.9 m -69.98 -17.15 63.28 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.866 -0.606 . . . . 0.43 111.092 -176.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.716 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 28.1 mmmt -71.21 -24.6 62.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.102 0.477 . . . . 0.98 110.54 -179.398 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.0 t -86.32 -11.96 50.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.856 -0.611 . . . . 1.35 110.373 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.69 HG22 ' HG2' ' A' ' 23' ' ' LYS . 21.6 mt -97.44 139.49 19.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.541 -0.3 . . . . 0.41 110.402 -178.084 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.69 ' HG2' HG22 ' A' ' 22' ' ' ILE . 4.2 ptmm? -1.31 -95.73 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 115.332 1.604 . . . . 1.92 115.332 -172.267 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.11 20.27 7.14 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.565 -0.826 . . . . 0.5 112.53 -175.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.425 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 12.4 m-30 -61.82 124.66 21.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.112 0.482 . . . . 0.72 109.756 177.796 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -67.57 -45.76 74.66 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.519 -0.764 . . . . 1.74 110.805 -175.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -166.15 -166.36 25.05 Favored Glycine 0 N--CA 1.438 -1.211 0 CA-C-N 115.42 -0.809 . . . . 0.25 111.314 -178.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.529 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -154.0 171.77 32.66 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.376 -0.916 . . . . 0.35 112.546 -177.728 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -169.07 157.09 7.6 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.631 -0.507 . . . . 0.89 109.631 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.528 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 5.6 m -75.25 109.32 8.66 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.867 -0.79 . . . . 0.58 108.867 177.219 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.454 ' HB3' HG13 ' A' ' 36' ' ' VAL . . . -68.8 -44.18 74.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.42 111.844 -169.52 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -127.72 82.96 2.12 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.26 -0.427 . . . . 2.82 110.981 -175.38 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.56 ' O ' ' HA ' ' A' ' 7' ' ' PRO . . . 86.97 -53.54 4.5 Favored Glycine 0 N--CA 1.452 -0.3 0 CA-C-N 115.894 -0.593 . . . . 1.69 112.371 170.547 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.528 ' HA2' ' HB3' ' A' ' 30' ' ' CYS . . . 159.7 31.7 0.02 OUTLIER Glycine 0 C--O 1.22 -0.752 0 C-N-CA 121.035 -0.602 . . . . 0.89 112.037 179.639 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -109.48 -59.73 1.87 Allowed 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 121.32 0.581 . . . . 1.09 110.577 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.454 HG13 ' HB3' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -88.2 130.1 38.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 115.327 -0.852 . . . . 0.79 111.286 -175.85 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 47.6 t -95.1 91.66 6.44 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.36 -0.836 . . . . 1.27 108.927 177.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -82.47 142.1 32.17 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.365 -0.834 . . . . 1.49 110.494 -178.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 57.2 m -124.84 157.86 34.85 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.489 -0.778 . . . . 0.36 109.31 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.246 0.871 0 CA-C-O 119.063 -0.494 . . . . 1.15 110.857 178.02 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 . . . . . 0 N--CA 1.456 -0.153 0 CA-C-O 120.777 0.322 . . . . 1.01 111.205 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.418 ' O ' ' HB2' ' A' ' 11' ' ' ASP . . . 157.4 -59.48 0.35 Allowed Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.06 -1.067 . . . . 0.89 112.798 179.558 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 47.9 m -57.36 -62.82 1.5 Allowed 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 122.135 0.174 . . . . 1.67 111.01 -178.081 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 57.46 44.69 20.94 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.307 0.484 . . . . 1.68 112.307 175.335 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 86.25 152.75 21.16 Favored Glycine 0 N--CA 1.444 -0.819 0 C-N-CA 120.727 -0.749 . . . . 0.55 112.801 175.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -47.86 -32.34 17.19 Favored 'Trans proline' 0 CA--C 1.53 0.3 0 C-N-CA 124.397 3.398 . . . . 0.72 114.028 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -48.97 -48.37 43.3 Favored 'General case' 0 CA--C 1.521 -0.172 0 C-N-CA 123.696 0.798 . . . . 2.6 110.392 -176.127 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -109.57 -54.78 2.51 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.069 -0.969 . . . . 2.02 110.384 179.25 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 48.08 58.16 5.38 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 123.748 0.655 . . . . 1.86 111.198 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.475 ' HB3' ' HB2' ' A' ' 14' ' ' LYS . 21.4 m-20 -72.7 93.02 1.59 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.88 -0.6 . . . . 2.14 110.659 -178.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -56.88 -54.23 48.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.665 -1.152 . . . . 2.02 112.165 -176.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 25.8 tp -66.39 -30.02 70.3 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.346 -0.388 . . . . 0.54 111.125 -175.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.475 ' HB2' ' HB3' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -64.02 -39.87 95.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.704 0.287 . . . . 1.82 110.357 177.647 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.2 t -63.57 -45.84 88.65 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.302 -0.629 . . . . 1.33 109.302 175.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.697 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 45.3 t60 -54.56 -53.8 49.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.403 -0.817 . . . . 0.37 110.29 175.263 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -60.86 -31.32 70.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.455 -0.793 . . . . 0.54 112.48 -178.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.452 ' CE1' HD11 ' A' ' 22' ' ' ILE . 7.5 t60 -62.67 -48.53 78.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.057 0.456 . . . . 0.46 109.986 175.548 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.49 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 36.5 m -67.55 -23.73 65.46 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.721 -0.672 . . . . 0.43 110.794 -178.273 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.697 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 2.0 mmmp? -66.15 -23.67 66.52 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.315 0.579 . . . . 0.98 110.51 178.165 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.5 m -90.61 2.38 55.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.509 -0.769 . . . . 1.35 110.726 -178.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.765 HG22 ' HG2' ' A' ' 23' ' ' LYS . 22.0 mt -108.95 137.51 40.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 116.341 -0.391 . . . . 0.41 110.586 178.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.765 ' HG2' HG22 ' A' ' 22' ' ' ILE . 9.5 ptpt 5.16 -96.65 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.571 1.548 . . . . 1.92 115.031 -175.305 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -126.43 29.59 4.48 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.838 -0.696 . . . . 0.5 112.046 -178.249 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.49 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 12.8 m-30 -68.54 130.32 42.5 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.236 0.541 . . . . 0.72 110.305 177.542 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.507 ' HB3' ' OXT' ' A' ' 40' ' ' TYR . 50.1 tttp -76.06 -42.04 48.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.326 -0.852 . . . . 1.74 111.169 -174.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -165.48 -173.78 34.38 Favored Glycine 0 N--CA 1.441 -0.98 0 C-N-CA 120.409 -0.9 . . . . 0.25 112.151 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.484 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -149.03 152.47 24.48 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 121.017 -0.611 . . . . 0.35 111.887 -179.183 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.521 ' CE2' ' HD2' ' A' ' 38' ' ' LYS . 15.2 p90 -151.7 154.92 37.27 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.881 0.372 . . . . 0.89 110.417 -178.153 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.463 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 4.3 m -75.17 108.82 8.18 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.821 -0.807 . . . . 0.58 108.821 176.333 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.526 ' HB3' HG13 ' A' ' 36' ' ' VAL . . . -73.25 -47.59 41.85 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.105 0.409 . . . . 0.42 112.105 -170.28 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 43.3 mmtm -134.74 82.77 1.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.006 0.432 . . . . 2.82 111.893 -175.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.98 29.97 21.66 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.589 -0.815 . . . . 1.69 113.851 165.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.463 ' HA2' ' HB3' ' A' ' 30' ' ' CYS . . . 73.29 9.8 77.73 Favored Glycine 0 C--O 1.225 -0.406 0 C-N-CA 120.519 -0.848 . . . . 0.89 113.016 178.096 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -94.47 -63.69 1.15 Allowed 'General case' 0 C--N 1.32 -0.677 0 O-C-N 122.372 -0.487 . . . . 1.09 111.342 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.526 HG13 ' HB3' ' A' ' 31' ' ' ALA . 1.4 p -87.58 130.13 37.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.219 0.533 . . . . 0.79 111.744 -174.421 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.2 t -97.14 93.68 6.7 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.161 -0.927 . . . . 1.27 109.188 178.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.521 ' HD2' ' CE2' ' A' ' 29' ' ' TYR . 9.4 tmtm? -92.08 142.77 27.15 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.715 -0.675 . . . . 1.49 110.227 -177.149 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 27.4 m -118.71 154.65 32.41 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.852 -0.613 . . . . 0.36 110.499 -176.2 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.507 ' OXT' ' HB3' ' A' ' 26' ' ' LYS . 5.4 p90 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.362 -0.828 . . . . 1.15 110.198 178.074 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 . . . . . 0 N--CA 1.462 0.174 0 CA-C-O 121.266 0.555 . . . . 1.01 111.696 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.426 ' HA3' ' HB3' ' A' ' 14' ' ' LYS . . . 75.84 37.89 37.84 Favored Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 115.541 -0.754 . . . . 0.89 113.419 174.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.832 ' SG ' ' HA2' ' A' ' 34' ' ' GLY . 7.7 t -138.61 -70.47 0.42 Allowed 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.556 -0.458 . . . . 1.67 110.159 174.55 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 51.09 44.85 28.47 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 113.238 0.829 . . . . 1.68 113.238 173.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 91.91 160.51 36.18 Favored Glycine 0 N--CA 1.442 -0.923 0 C-N-CA 120.439 -0.886 . . . . 0.55 112.273 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -46.04 -33.08 10.72 Favored 'Trans proline' 0 CA--C 1.53 0.32 0 C-N-CA 124.145 3.23 . . . . 0.72 113.76 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 4.5 m95 -64.95 -37.94 89.33 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.82 -0.627 . . . . 2.6 111.728 -173.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.37 -9.01 13.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.702 -0.226 . . . . 2.02 111.158 -175.5 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.585 ' HG2' ' SG ' ' A' ' 4' ' ' CYS . 1.4 tm-20 -36.67 102.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 124.566 1.146 . . . . 1.86 112.385 177.332 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -95.75 -11.9 26.24 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.021 -0.536 . . . . 2.14 111.274 -178.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.5 t70 66.34 -74.75 0.06 Allowed 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 123.584 0.754 . . . . 2.02 112.473 -177.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.8 tp -59.45 -35.3 73.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.046 -0.525 . . . . 0.54 111.802 -174.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.426 ' HB3' ' HA3' ' A' ' 3' ' ' GLY . 2.9 mmmm -57.61 -37.22 72.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.83 0.348 . . . . 1.82 110.857 178.775 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 50.7 t -70.57 -41.85 71.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.242 0.544 . . . . 1.33 109.639 178.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.678 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 55.9 t60 -57.01 -49.3 76.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.602 -0.726 . . . . 0.37 109.862 174.338 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -60.61 -32.36 71.49 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.227 -0.897 . . . . 0.54 111.986 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.464 ' CE1' HD11 ' A' ' 22' ' ' ILE . 7.6 t60 -60.99 -48.38 82.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.027 0.441 . . . . 0.46 110.477 177.657 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.471 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 33.8 m -73.33 -15.86 61.38 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.011 -0.541 . . . . 0.43 111.31 -175.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.678 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 1.4 mmmp? -69.46 -26.38 64.55 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.385 0.612 . . . . 0.98 109.984 177.56 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.3 t -88.14 -3.71 58.84 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.443 -0.799 . . . . 1.35 110.397 -177.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.56 HG22 ' HG2' ' A' ' 23' ' ' LYS . 37.9 mt -98.85 143.57 13.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.104 -0.498 . . . . 0.41 110.114 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.56 ' HG2' HG22 ' A' ' 22' ' ' ILE . 1.6 ptpp? -4.76 -95.63 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 115.208 1.559 . . . . 1.92 115.208 -174.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -125.82 28.35 4.94 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.484 -0.865 . . . . 0.5 112.104 -177.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.471 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 10.6 m-30 -65.86 143.76 57.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.877 0.37 . . . . 0.72 110.381 178.172 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -82.02 -41.95 19.98 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.807 -0.633 . . . . 1.74 110.93 -176.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -172.9 -170.01 36.1 Favored Glycine 0 N--CA 1.442 -0.925 0 C-N-CA 120.807 -0.711 . . . . 0.25 111.42 -178.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.554 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -150.53 162.54 29.34 Favored Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.762 -0.732 . . . . 0.35 111.864 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -164.62 151.52 11.14 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.092 0.472 . . . . 0.89 110.162 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.507 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 38.0 m -76.23 106.19 7.71 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.16 -0.682 . . . . 0.58 109.16 177.79 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.73 -39.23 73.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.189 -0.46 . . . . 0.42 111.541 -169.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -122.55 72.5 1.07 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.292 -0.413 . . . . 2.82 111.262 -178.456 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.2 -38.98 2.04 Favored Glycine 0 C--O 1.228 -0.258 0 C-N-CA 121.155 -0.545 . . . . 1.69 113.159 171.511 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.832 ' HA2' ' SG ' ' A' ' 4' ' ' CYS . . . 160.57 -12.26 0.16 Allowed Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 121.024 -0.608 . . . . 0.89 112.172 -179.22 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -63.07 -38.39 91.0 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 120.948 0.404 . . . . 1.09 111.344 -178.055 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.507 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 1.2 p -122.98 127.3 74.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.151 0.501 . . . . 0.79 111.736 -175.448 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.4 t -96.46 90.37 5.36 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.2 -0.909 . . . . 1.27 108.806 174.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.6 ' HG2' ' N ' ' A' ' 39' ' ' CYS . 70.9 tttt -87.6 162.4 17.18 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.404 -0.816 . . . . 1.49 110.476 -176.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.6 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 59.7 m -125.16 156.95 37.58 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.996 -0.547 . . . . 0.36 109.607 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 29.7 p90 . . . . . 0 C--O 1.246 0.869 0 CA-C-O 118.942 -0.552 . . . . 1.15 110.098 179.16 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 . . . . . 0 N--CA 1.471 0.583 0 CA-C-O 120.628 0.251 . . . . 1.01 111.649 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 151.51 -72.47 0.28 Allowed Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.502 -0.856 . . . . 0.89 112.434 -179.244 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.596 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 8.0 m -79.49 91.92 5.2 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-O 121.25 0.547 . . . . 1.67 109.76 177.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.413 ' HB2' ' HG3' ' A' ' 9' ' ' GLN . 5.0 m120 -88.71 32.35 0.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 1.68 110.129 179.248 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 134.99 156.0 7.57 Favored Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 111.325 -0.71 . . . . 0.55 111.325 -176.206 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -42.04 -46.47 7.03 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 124.043 3.162 . . . . 0.72 113.116 175.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -59.01 -35.46 73.3 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.995 -1.002 . . . . 2.6 110.876 -177.57 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.413 ' HG3' ' HB2' ' A' ' 5' ' ' ASN . 17.6 mm-40 -77.97 -68.66 0.61 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.273 -0.876 . . . . 2.02 110.035 -178.169 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.544 ' HG2' ' SG ' ' A' ' 30' ' ' CYS . 1.7 tm-20 40.65 88.75 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 O-C-N 124.588 1.18 . . . . 1.86 112.448 175.748 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -122.79 102.03 7.8 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.324 0.583 . . . . 2.14 110.366 -178.496 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -52.56 -47.52 66.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.682 -1.145 . . . . 2.02 111.808 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.7 tp -72.41 -35.3 68.34 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.213 0.449 . . . . 0.54 112.213 -171.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.4 mmmm -63.03 -44.68 95.25 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.737 -0.385 . . . . 1.82 110.779 177.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.596 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 62.1 m -66.91 -39.72 87.49 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 121.182 0.515 . . . . 1.33 109.692 175.745 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.715 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 58.9 t60 -55.09 -56.62 17.82 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.288 -0.869 . . . . 0.37 109.84 175.17 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -57.94 -38.64 76.33 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.112 -0.949 . . . . 0.54 112.017 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.508 ' CE1' HD11 ' A' ' 22' ' ' ILE . 7.9 t60 -55.9 -44.73 78.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.912 0.386 . . . . 0.46 110.366 176.209 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.419 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 35.2 m -75.87 -23.57 55.64 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.862 -0.608 . . . . 0.43 110.991 -178.099 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.715 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 27.9 mmmt -66.36 -32.78 74.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.37 0.605 . . . . 0.98 109.779 177.245 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.2 t -80.77 -4.37 54.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.231 -0.895 . . . . 1.35 110.534 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.69 HG22 ' HG2' ' A' ' 23' ' ' LYS . 43.2 mt -98.76 146.91 7.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 N-CA-C 109.702 -0.481 . . . . 0.41 109.702 177.394 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.69 ' HG2' HG22 ' A' ' 22' ' ' ILE . 5.5 ptmt -8.58 -93.3 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 115.407 1.632 . . . . 1.92 115.407 -173.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.26 26.7 4.12 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.382 -0.913 . . . . 0.5 112.464 -176.219 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.435 ' CE2' HG21 ' A' ' 22' ' ' ILE . 12.4 m-30 -61.9 153.89 27.78 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.999 0.428 . . . . 0.72 110.724 177.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.465 ' HB3' ' O ' ' A' ' 40' ' ' TYR . 54.1 tttp -89.52 -53.46 4.52 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.963 -0.562 . . . . 1.74 110.514 -177.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -160.08 -171.96 26.67 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.565 -0.826 . . . . 0.25 112.301 -179.355 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.585 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -154.78 162.98 31.09 Favored Glycine 0 C--O 1.227 -0.29 0 C-N-CA 120.22 -0.99 . . . . 0.35 113.147 -178.568 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.572 ' CE2' ' HD3' ' A' ' 38' ' ' LYS . 6.8 p90 -161.78 163.34 29.57 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.116 -0.327 . . . . 0.89 110.116 -178.166 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.686 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -76.68 101.14 5.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.816 0.341 . . . . 0.58 110.225 -178.472 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.498 ' HB3' ' CG2' ' A' ' 36' ' ' VAL . . . -65.98 -55.34 17.27 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 112.278 0.473 . . . . 0.42 112.278 -175.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -82.39 55.2 2.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.26 -0.427 . . . . 2.82 111.527 -176.454 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.57 -50.25 3.78 Favored Glycine 0 N--CA 1.45 -0.375 0 N-CA-C 111.9 -0.48 . . . . 1.69 111.9 178.487 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.537 ' HA2' ' CB ' ' A' ' 30' ' ' CYS . . . -177.85 23.63 0.05 OUTLIER Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 121.066 -0.588 . . . . 0.89 112.567 178.353 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -101.64 -54.85 2.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 117.532 0.666 . . . . 1.09 112.403 -176.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.686 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 1.4 m -99.85 152.18 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 C-N-CA 120.834 -0.346 . . . . 0.79 111.069 -174.075 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.3 m -99.43 88.21 3.82 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.027 -0.533 . . . . 1.27 109.808 172.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.595 ' HG2' ' N ' ' A' ' 39' ' ' CYS . 36.5 tttp -76.14 159.75 30.41 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.032 -0.729 . . . . 1.49 109.032 177.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.595 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 61.4 m -129.1 158.03 40.08 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 120.807 0.337 . . . . 0.36 110.222 -175.27 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.465 ' O ' ' HB3' ' A' ' 26' ' ' LYS . 25.1 p90 . . . . . 0 C--N 1.316 -0.876 0 CA-C-O 117.777 -1.106 . . . . 1.15 109.034 176.145 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 . . . . . 0 N--CA 1.47 0.557 0 CA-C-O 120.997 0.427 . . . . 1.01 111.645 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 157.95 -75.67 0.21 Allowed Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 111.553 -0.619 . . . . 0.89 111.553 -176.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.3 m -67.31 95.23 0.42 Allowed 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 120.931 0.396 . . . . 1.67 110.754 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.513 ' O ' ' HG3' ' A' ' 9' ' ' GLN . 28.3 m-80 -96.28 53.18 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.214 0.531 . . . . 1.68 110.656 179.346 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 92.89 158.16 34.11 Favored Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 120.594 -0.812 . . . . 0.55 111.207 -176.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -46.43 -40.84 23.14 Favored 'Trans proline' 0 CA--C 1.528 0.2 0 C-N-CA 124.047 3.165 . . . . 0.72 113.345 178.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -56.42 -31.19 63.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.746 -0.661 . . . . 2.6 110.722 -177.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.513 ' HG3' ' O ' ' A' ' 5' ' ' ASN . 5.6 mm-40 -99.29 -63.45 1.12 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.169 -0.923 . . . . 2.02 109.592 -178.564 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 44.2 52.89 6.92 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 114.581 -1.191 . . . . 1.86 110.973 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.449 ' OD1' ' HB3' ' A' ' 9' ' ' GLN . 10.1 m-20 -71.6 87.73 0.93 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.588 -0.733 . . . . 2.14 110.652 -178.391 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -62.29 -58.63 7.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.379 -0.828 . . . . 2.02 112.381 -174.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 37.7 tp -72.49 -31.39 65.33 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.536 -0.302 . . . . 0.54 111.039 -174.08 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -42.13 97.72 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.205 -0.665 . . . . 1.82 109.205 178.158 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.5 t -62.79 -44.02 97.26 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.524 -0.762 . . . . 1.33 110.357 175.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.648 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 48.1 t60 -58.97 -49.36 78.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.466 -0.788 . . . . 0.37 110.355 175.577 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.406 ' HA ' ' CG ' ' A' ' 20' ' ' LYS . 80.4 m-20 -58.83 -30.35 67.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.745 -0.661 . . . . 0.54 112.474 179.328 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.446 ' CE1' HD11 ' A' ' 22' ' ' ILE . 3.3 t-80 -59.76 -51.2 70.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.921 0.391 . . . . 0.46 110.487 178.188 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.569 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 36.6 m -80.29 -10.78 59.76 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.127 -0.488 . . . . 0.43 111.742 -175.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.648 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 3.3 mmmp? -62.29 -33.28 74.35 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.089 0.471 . . . . 0.98 110.234 172.693 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.8 m -83.89 -15.54 47.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.829 -0.623 . . . . 1.35 111.437 -176.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.702 HG22 ' HG2' ' A' ' 23' ' ' LYS . 43.3 mt -87.37 142.8 12.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 121.121 -0.232 . . . . 0.41 110.424 -177.265 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.702 ' HG2' HG22 ' A' ' 22' ' ' ILE . 9.3 ptmt -3.76 -96.02 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 125.604 1.562 . . . . 1.92 115.159 -173.352 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -117.43 15.76 12.91 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.376 -0.916 . . . . 0.5 112.53 -175.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.569 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 9.0 m-30 -61.74 130.75 47.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.094 0.473 . . . . 0.72 110.225 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.421 ' HB3' ' O ' ' A' ' 40' ' ' TYR . 50.2 tttp -81.95 -40.08 22.76 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.723 -0.672 . . . . 1.74 110.918 -178.15 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -167.64 -177.12 38.85 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.591 -0.814 . . . . 0.25 111.957 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -155.38 143.73 10.21 Favored Glycine 0 N--CA 1.451 -0.349 0 N-CA-C 111.117 -0.793 . . . . 0.35 111.117 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -142.09 156.07 45.38 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 117.301 0.55 . . . . 0.89 111.537 -174.136 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.484 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 11.9 m -66.12 106.99 1.77 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.48 -0.782 . . . . 0.58 109.214 175.649 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.635 ' HB3' HG13 ' A' ' 36' ' ' VAL . . . -79.75 -42.01 25.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.929 0.395 . . . . 0.42 111.541 -172.119 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.9 mmtm -104.25 56.96 0.72 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.284 0.564 . . . . 2.82 110.515 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.29 -60.58 4.33 Favored Glycine 0 N--CA 1.443 -0.86 0 CA-C-N 115.489 -0.778 . . . . 1.69 112.274 175.185 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.484 ' HA2' ' HB3' ' A' ' 30' ' ' CYS . . . -168.77 34.46 0.19 Allowed Glycine 0 C--O 1.224 -0.49 0 C-N-CA 120.713 -0.756 . . . . 0.89 112.829 -176.643 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -122.48 -80.05 0.62 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.155 0.502 . . . . 1.09 111.036 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.635 HG13 ' HB3' ' A' ' 31' ' ' ALA . 2.0 p -73.63 136.08 26.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.594 -0.73 . . . . 0.79 111.262 -176.268 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.5 m -103.77 96.48 6.73 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.646 -0.706 . . . . 1.27 110.677 178.106 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.506 ' HD3' ' N ' ' A' ' 39' ' ' CYS . 1.6 tmtp? -85.28 142.07 29.64 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.846 -0.798 . . . . 1.49 108.846 175.792 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.506 ' N ' ' HD3' ' A' ' 38' ' ' LYS . 70.8 m -131.42 159.21 38.7 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 116.119 -0.491 . . . . 0.36 111.303 -175.117 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.421 ' O ' ' HB3' ' A' ' 26' ' ' LYS . 1.7 p90 . . . . . 0 C--O 1.243 0.729 0 CA-C-O 118.602 -0.713 . . . . 1.15 110.532 -173.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 . . . . . 0 N--CA 1.471 0.598 0 N-CA-C 112.844 0.683 . . . . 1.01 112.844 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.479 ' HA3' ' HB3' ' A' ' 14' ' ' LYS . . . 127.09 -54.02 0.78 Allowed Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.273 -0.965 . . . . 0.89 113.366 -177.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.478 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 67.6 m -58.2 -51.93 67.7 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 117.056 0.428 . . . . 1.67 110.295 179.084 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 43.83 49.0 7.0 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.971 0.73 . . . . 1.68 112.971 176.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 78.07 174.96 43.82 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.894 -0.669 . . . . 0.55 113.325 177.147 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.462 ' HD3' ' O ' ' A' ' 33' ' ' GLY . 3.7 Cg_endo -52.82 -30.91 49.29 Favored 'Trans proline' 0 N--CA 1.473 0.27 0 C-N-CA 124.13 3.22 . . . . 0.72 113.706 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -46.88 -41.76 16.34 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 124.03 0.932 . . . . 2.6 110.866 -176.193 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.47 -57.86 1.81 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.353 -0.84 . . . . 2.02 110.236 -178.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 56.36 51.17 11.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.345 0.593 . . . . 1.86 110.488 178.291 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.426 ' H ' ' HA ' ' A' ' 4' ' ' CYS . 53.1 m-20 -87.76 90.5 8.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.594 -0.73 . . . . 2.14 110.519 179.588 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -59.85 -40.8 89.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.661 -0.7 . . . . 2.02 111.671 -177.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.4 tp -64.01 -32.03 73.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.553 -0.294 . . . . 0.54 111.621 -173.029 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.479 ' HB3' ' HA3' ' A' ' 3' ' ' GLY . 2.5 tppt? -63.11 -43.87 97.25 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.612 -0.514 . . . . 1.82 109.612 176.587 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.475 ' HA ' ' HB3' ' A' ' 18' ' ' HIS . 75.2 m -73.0 -31.58 64.58 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.978 -0.555 . . . . 1.33 110.556 178.289 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.544 ' HA ' ' N ' ' A' ' 28' ' ' GLY . 57.4 t60 -55.96 -48.1 76.41 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.784 -0.821 . . . . 0.37 108.784 169.402 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -62.54 -44.72 95.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.411 -0.813 . . . . 0.54 111.3 176.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.475 ' HB3' ' HA ' ' A' ' 15' ' ' CYS . 29.1 t60 -59.44 -49.29 78.35 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.348 -0.387 . . . . 0.46 111.511 -178.583 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.659 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 77.1 m -63.93 -39.94 95.32 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.786 0.327 . . . . 0.43 110.671 -178.023 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -71.33 -20.37 62.19 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.037 0.446 . . . . 0.98 111.311 -179.177 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.4 t -77.64 -9.96 59.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.663 -0.698 . . . . 1.35 109.93 173.625 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.555 HG22 ' HG2' ' A' ' 23' ' ' LYS . 40.7 mt -101.64 138.57 25.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.867 -0.606 . . . . 0.41 110.228 177.5 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.555 ' HG2' HG22 ' A' ' 22' ' ' ILE . 1.1 ptpp? 13.1 -96.01 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.008 0 O-C-N 124.88 1.363 . . . . 1.92 114.438 -174.796 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.29 27.83 3.54 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.514 -0.851 . . . . 0.5 112.795 -176.362 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.659 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 13.7 m-30 -66.08 138.47 57.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.114 0.483 . . . . 0.72 110.091 177.773 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -84.77 -39.27 18.62 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.535 -0.757 . . . . 1.74 111.137 -172.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -159.27 178.25 35.49 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.23 -0.985 . . . . 0.25 112.391 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.544 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -153.7 148.99 20.37 Favored Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 111.452 -0.659 . . . . 0.35 111.452 178.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -156.19 159.94 39.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.892 0.346 . . . . 0.89 110.536 -176.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.506 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 3.9 m -68.76 115.67 8.38 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.47 -0.937 . . . . 0.58 108.47 176.097 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.519 ' HB3' HG13 ' A' ' 36' ' ' VAL . . . -88.2 -42.41 12.32 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.435 -0.506 . . . . 0.42 111.79 -172.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -133.33 73.29 1.51 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.92 0.391 . . . . 2.82 111.531 -175.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.462 ' O ' ' HD3' ' A' ' 7' ' ' PRO . . . 77.2 36.62 34.47 Favored Glycine 0 C--O 1.224 -0.479 0 C-N-CA 120.855 -0.688 . . . . 1.69 112.99 171.325 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.506 ' HA2' ' HB3' ' A' ' 30' ' ' CYS . . . 80.13 -14.51 20.88 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.492 -0.861 . . . . 0.89 113.346 176.796 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -69.47 -67.67 0.46 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.934 0.397 . . . . 1.09 111.081 -178.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.519 HG13 ' HB3' ' A' ' 31' ' ' ALA . 1.2 p -90.86 135.41 26.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.06 -0.518 . . . . 0.79 111.21 -177.518 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.478 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 68.7 m -106.24 99.18 8.77 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-O 121.721 0.772 . . . . 1.27 110.38 174.341 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.43 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 24.2 tptm -71.99 143.54 49.17 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 114.345 -1.298 . . . . 1.49 110.452 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.3 m -122.15 155.1 36.46 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.762 -0.829 . . . . 0.36 108.762 178.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 26.6 p90 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.759 -0.639 . . . . 1.15 110.056 -179.438 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 . . . . . 0 N--CA 1.456 -0.166 0 CA-C-O 121.021 0.439 . . . . 1.01 110.149 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 160.41 -62.02 0.29 Allowed Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.631 -0.795 . . . . 0.89 112.491 -178.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -78.44 95.88 5.24 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-O 120.898 0.38 . . . . 1.67 110.723 -179.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.489 ' HB2' ' HG3' ' A' ' 9' ' ' GLN . 90.1 m-20 -101.48 40.67 1.27 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.257 0.551 . . . . 1.68 109.921 176.249 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 115.82 154.37 10.4 Favored Glycine 0 N--CA 1.443 -0.881 0 CA-C-N 115.69 -0.687 . . . . 0.55 111.464 -176.135 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.436 ' O ' ' HB2' ' A' ' 10' ' ' GLU . 2.7 Cg_exo -42.46 -45.88 7.98 Favored 'Trans proline' 0 CA--C 1.53 0.282 0 C-N-CA 124.561 3.507 . . . . 0.72 113.622 177.104 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -54.27 -34.83 61.7 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.576 0.703 . . . . 2.6 110.53 -179.05 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.489 ' HG3' ' HB2' ' A' ' 5' ' ' ASN . 28.7 mm-40 -86.28 -71.57 0.54 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.796 -1.093 . . . . 2.02 108.673 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' A' ' 7' ' ' PRO . 8.0 tt0 47.07 41.81 11.82 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.312 -0.858 . . . . 1.86 111.965 177.001 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -73.89 92.65 2.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.16 0.505 . . . . 2.14 110.308 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -66.92 -45.03 79.14 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.186 -0.916 . . . . 2.02 111.145 -173.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 27.1 tp -65.85 -34.67 78.67 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.585 -0.734 . . . . 0.54 111.252 -176.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -58.34 -45.31 88.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.868 0.366 . . . . 1.82 110.421 175.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.0 t -67.59 -45.41 75.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.945 -0.57 . . . . 1.33 109.799 178.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.705 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 62.2 t60 -55.3 -51.58 66.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.331 -0.85 . . . . 0.37 110.282 176.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -57.97 -41.0 82.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.464 -0.789 . . . . 0.54 111.971 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.451 ' CE1' HD11 ' A' ' 22' ' ' ILE . 8.1 t60 -58.11 -46.51 85.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.862 0.363 . . . . 0.46 110.81 178.502 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.487 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 55.5 m -72.6 -17.88 61.65 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.125 -0.489 . . . . 0.43 111.149 -176.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.705 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 2.0 mmmp? -66.85 -33.29 75.28 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.336 0.588 . . . . 0.98 110.052 178.577 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.4 t -84.84 -0.39 53.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.469 -0.787 . . . . 1.35 111.066 -176.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.659 HG22 ' HG2' ' A' ' 23' ' ' LYS . 38.7 mt -98.97 139.8 19.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 110.345 -0.242 . . . . 0.41 110.345 179.248 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.659 ' HG2' HG22 ' A' ' 22' ' ' ILE . 0.1 OUTLIER 3.57 -99.07 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 125.45 1.5 . . . . 1.92 114.975 -174.883 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.08 28.79 5.28 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.74 -0.743 . . . . 0.5 112.29 -177.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.487 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 13.0 m-30 -66.63 152.02 46.18 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.305 0.574 . . . . 0.72 110.73 179.206 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.414 ' HB3' ' OXT' ' A' ' 40' ' ' TYR . 79.0 tttt -89.44 -48.5 7.29 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.27 -0.877 . . . . 1.74 110.302 -177.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -166.07 -167.26 26.44 Favored Glycine 0 N--CA 1.442 -0.948 0 C-N-CA 120.784 -0.722 . . . . 0.25 112.005 -179.196 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.538 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -152.63 163.69 30.45 Favored Glycine 0 N--CA 1.449 -0.491 0 N-CA-C 111.104 -0.798 . . . . 0.35 111.104 178.258 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -163.9 161.37 22.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.174 0.511 . . . . 0.89 111.046 -178.369 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.459 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 10.8 m -78.06 102.16 7.31 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.467 -0.788 . . . . 0.58 109.528 178.698 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.556 ' HB3' HG13 ' A' ' 36' ' ' VAL . . . -70.68 -40.9 72.66 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.119 0.415 . . . . 0.42 112.119 -169.441 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -99.25 51.47 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.113 0.482 . . . . 2.82 110.49 179.146 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.23 -62.03 4.38 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.783 -0.644 . . . . 1.69 111.561 176.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.459 ' HA2' ' HB3' ' A' ' 30' ' ' CYS . . . -164.4 26.98 0.2 Allowed Glycine 0 C--O 1.226 -0.373 0 C-N-CA 120.95 -0.643 . . . . 0.89 112.597 -177.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -109.81 -70.82 0.79 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.015 0.436 . . . . 1.09 111.53 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.556 HG13 ' HB3' ' A' ' 31' ' ' ALA . 2.3 p -85.69 135.03 25.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.895 -0.593 . . . . 0.79 111.79 -174.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.4 t -97.05 97.52 9.3 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.053 -0.976 . . . . 1.27 109.696 178.275 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.599 ' HG2' ' N ' ' A' ' 39' ' ' CYS . 66.8 tttt -95.76 161.18 14.13 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.764 -0.653 . . . . 1.49 109.992 178.429 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.599 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 56.6 m -121.71 156.94 32.01 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.563 -0.532 . . . . 0.36 109.563 178.657 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.414 ' OXT' ' HB3' ' A' ' 26' ' ' LYS . 29.0 p90 . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.742 -0.646 . . . . 1.15 109.459 178.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 . . . . . 0 N--CA 1.465 0.324 0 CA-C-O 121.07 0.462 . . . . 1.01 111.539 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 130.71 -40.4 1.66 Allowed Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.662 -0.78 . . . . 0.89 112.1 -178.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.708 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 91.9 m -69.27 -75.68 0.11 Allowed 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 110.505 -0.183 . . . . 1.67 110.505 177.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.9 m120 52.17 38.47 24.49 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 113.175 0.806 . . . . 1.68 113.175 171.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 100.07 171.2 29.83 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.404 -0.903 . . . . 0.55 113.234 177.06 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.424 ' HD3' ' CE1' ' A' ' 35' ' ' PHE . 7.6 Cg_endo -53.42 -41.78 70.5 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 124.257 3.305 . . . . 0.72 114.047 -178.228 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 6.1 m95 -62.9 -37.6 87.59 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.74 -0.664 . . . . 2.6 111.482 -172.007 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.708 ' HB2' ' O ' ' A' ' 4' ' ' CYS . 2.3 mt-30 -92.12 -72.58 0.58 Allowed 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.501 -0.555 . . . . 2.02 109.501 -175.13 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 45.57 55.6 6.53 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 123.958 0.786 . . . . 1.86 111.122 173.104 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -83.81 120.6 26.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.245 0.545 . . . . 2.14 110.371 -177.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -66.32 -55.39 16.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.057 -0.974 . . . . 2.02 111.621 -176.201 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.5 tp -73.76 -33.12 64.15 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.327 -0.397 . . . . 0.54 111.806 -171.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.29 -43.3 98.3 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.853 -0.339 . . . . 1.82 110.789 177.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.4 t -63.85 -43.04 97.34 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.203 -0.666 . . . . 1.33 109.203 176.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.658 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 43.1 t60 -56.99 -55.52 33.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.423 -0.808 . . . . 0.37 110.63 175.38 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -57.63 -34.66 69.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.549 -0.751 . . . . 0.54 112.049 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.552 ' CE1' HD11 ' A' ' 22' ' ' ILE . 14.9 t60 -60.3 -49.83 76.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.085 0.469 . . . . 0.46 110.297 177.042 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.593 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 36.8 m -67.74 -29.13 68.27 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.822 -0.626 . . . . 0.43 110.828 -178.217 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.658 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 2.4 mmmp? -54.57 -36.8 64.75 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.942 0.401 . . . . 0.98 110.799 178.34 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.7 m -86.75 -3.04 59.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.858 -0.61 . . . . 1.35 111.858 -175.478 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.63 HG22 ' HG2' ' A' ' 23' ' ' LYS . 39.3 mt -97.31 138.17 22.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 120.981 -0.287 . . . . 0.41 110.656 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.63 ' HG2' HG22 ' A' ' 22' ' ' ILE . 10.0 ptpt 7.73 -98.82 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.439 1.496 . . . . 1.92 114.833 -175.422 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -120.6 25.52 7.24 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.616 -0.802 . . . . 0.5 112.456 -176.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.593 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 10.4 m-30 -67.66 152.06 46.24 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.121 0.486 . . . . 0.72 110.834 179.482 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -104.43 -46.33 4.41 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.899 -0.591 . . . . 1.74 110.865 -177.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -152.66 -179.61 28.36 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.63 -0.795 . . . . 0.25 111.961 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.571 ' HA3' ' SG ' ' A' ' 19' ' ' CYS . . . -155.45 149.72 20.94 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.472 -0.87 . . . . 0.35 112.787 -177.521 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.466 ' CE2' ' HD3' ' A' ' 38' ' ' LYS . 6.6 p90 -158.11 151.16 22.88 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.052 0.453 . . . . 0.89 110.532 -177.794 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.527 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 23.3 m -70.57 115.14 9.4 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.887 -0.597 . . . . 0.58 109.904 179.332 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.14 -39.77 32.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.442 -0.345 . . . . 0.42 111.902 -174.07 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -127.38 73.17 1.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.531 -0.304 . . . . 2.82 111.45 -175.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 62.92 35.6 92.26 Favored Glycine 0 C--O 1.227 -0.306 0 C-N-CA 121.197 -0.525 . . . . 1.69 113.239 172.01 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.545 ' O ' ' HB3' ' A' ' 4' ' ' CYS . . . 80.89 -1.41 84.23 Favored Glycine 0 C--O 1.223 -0.57 0 C-N-CA 120.899 -0.667 . . . . 0.89 113.548 176.546 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.424 ' CE1' ' HD3' ' A' ' 7' ' ' PRO . 53.8 m-85 -81.76 -9.66 59.57 Favored 'General case' 0 C--N 1.317 -0.805 0 O-C-N 122.014 -0.698 . . . . 1.09 111.277 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.527 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 1.6 p -150.26 130.68 4.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 120.989 0.423 . . . . 0.79 110.995 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.1 t -99.74 93.68 5.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.365 -0.834 . . . . 1.27 109.026 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.621 ' HG2' ' N ' ' A' ' 39' ' ' CYS . 75.6 tttt -82.01 163.07 22.37 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.712 -0.676 . . . . 1.49 110.338 -177.639 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.621 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 42.2 m -141.77 155.64 45.61 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.3 -0.409 . . . . 0.36 109.929 -176.779 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 27.0 p90 . . . . . 0 C--O 1.243 0.737 0 CA-C-O 117.606 -1.187 . . . . 1.15 109.227 177.922 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.56 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 68.5 m-85 . . . . . 0 N--CA 1.449 -0.49 0 CA-C-O 121.032 0.444 . . . . 1.01 110.229 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 103.22 -55.08 0.66 Allowed Glycine 0 N--CA 1.445 -0.742 0 N-CA-C 111.026 -0.83 . . . . 0.89 111.026 -178.101 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.449 ' HB2' ' O ' ' A' ' 34' ' ' GLY . 5.3 p -102.78 124.54 48.5 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-O 121.459 0.647 . . . . 1.67 110.229 174.536 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.526 ' H ' ' HB2' ' A' ' 9' ' ' GLN . 35.0 m-80 -110.02 21.73 16.46 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.034 -0.985 . . . . 1.68 111.069 -177.187 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 139.72 174.13 13.54 Favored Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 111.064 -0.814 . . . . 0.55 111.064 -174.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -50.75 -48.63 19.79 Favored 'Trans proline' 0 N--CA 1.472 0.214 0 C-N-CA 123.43 2.754 . . . . 0.72 113.246 -178.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -78.21 -16.22 58.07 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.673 -0.694 . . . . 2.6 110.549 -176.271 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.526 ' HB2' ' H ' ' A' ' 5' ' ' ASN . 7.8 mm100 -99.75 -5.48 28.63 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.538 -0.755 . . . . 2.02 109.983 -177.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.44 ' HA ' ' CB ' ' A' ' 4' ' ' CYS . 1.5 tm-20 -52.83 104.2 0.09 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.862 -1.063 . . . . 1.86 112.2 -176.391 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -122.46 105.65 10.34 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.796 -0.816 . . . . 2.14 108.796 174.04 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -62.42 -46.44 88.54 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.222 -0.899 . . . . 2.02 111.863 -172.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.0 tp -67.98 -36.76 80.57 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.71 -0.396 . . . . 0.54 111.472 -176.333 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -62.35 -42.54 99.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.623 0.249 . . . . 1.82 110.714 176.424 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.6 t -64.07 -46.12 85.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.339 0.59 . . . . 1.33 109.544 175.238 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.668 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 58.5 t60 -54.73 -51.65 64.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.269 -0.878 . . . . 0.37 110.415 176.297 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -61.17 -33.75 73.93 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.531 -0.758 . . . . 0.54 112.281 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.41 ' NE2' HD11 ' A' ' 22' ' ' ILE . 16.3 t60 -59.32 -44.72 92.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.018 0.437 . . . . 0.46 109.985 177.227 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.48 ' SG ' ' HA3' ' A' ' 28' ' ' GLY . 50.3 m -75.18 -17.25 60.42 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.813 -0.631 . . . . 0.43 111.289 -177.516 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.668 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 1.7 mmmp? -71.46 -37.18 71.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.199 0.523 . . . . 0.98 109.945 178.107 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.1 m -77.59 -11.0 59.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.346 -0.843 . . . . 1.35 111.378 -178.48 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.619 HG22 ' HG2' ' A' ' 23' ' ' LYS . 44.4 mt -90.27 141.65 14.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 109.759 -0.46 . . . . 0.41 109.759 177.42 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.619 ' HG2' HG22 ' A' ' 22' ' ' ILE . 6.4 ptpt 13.58 -91.04 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.15 0 O-C-N 124.989 1.431 . . . . 1.92 113.406 -175.41 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -157.7 48.33 0.45 Allowed Glycine 0 N--CA 1.438 -1.229 0 C-N-CA 120.089 -1.053 . . . . 0.5 112.436 173.484 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.444 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 78.6 m-85 -59.56 168.62 1.55 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.476 0.655 . . . . 0.72 111.388 172.77 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -89.43 -47.24 8.14 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.431 -0.804 . . . . 1.74 109.86 178.677 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -169.57 -172.87 36.62 Favored Glycine 0 N--CA 1.442 -0.934 0 CA-C-N 115.516 -0.766 . . . . 0.25 111.79 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.48 ' HA3' ' SG ' ' A' ' 19' ' ' CYS . . . -144.77 155.83 26.6 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.548 -0.834 . . . . 0.35 112.039 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -152.52 150.92 30.09 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.026 0.441 . . . . 0.89 110.143 178.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.605 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 4.7 m -80.85 112.65 18.43 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 109.426 -0.583 . . . . 0.58 109.426 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.62 -41.15 63.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.128 -0.487 . . . . 0.42 111.943 -170.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -120.27 72.76 0.96 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.246 0.462 . . . . 2.82 112.246 -173.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 73.75 37.82 50.99 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.696 -0.764 . . . . 1.69 113.105 168.031 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.449 ' O ' ' HB2' ' A' ' 4' ' ' CYS . . . 77.26 10.53 86.2 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.692 -0.765 . . . . 0.89 113.184 178.065 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -90.39 -63.18 1.31 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 117.062 0.431 . . . . 1.09 111.876 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.605 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 2.5 p -99.87 127.21 52.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.17 0.51 . . . . 0.79 111.88 -175.348 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.56 ' HB3' ' HB2' ' A' ' 2' ' ' PHE . 44.5 t -91.39 98.03 11.45 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.197 -0.91 . . . . 1.27 109.773 179.088 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.1 tmtm? -91.22 146.43 23.83 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.679 -0.691 . . . . 1.49 109.512 177.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.1 m -117.92 153.05 34.24 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.288 -0.414 . . . . 0.36 110.599 -174.453 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 18.2 p90 . . . . . 0 C--O 1.251 1.172 0 CA-C-O 118.864 -0.589 . . . . 1.15 109.798 -178.888 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 . . . . . 0 N--CA 1.463 0.19 0 CA-C-O 121.355 0.598 . . . . 1.01 111.632 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.403 ' HA3' ' HE3' ' A' ' 14' ' ' LYS . . . 98.45 -19.25 55.18 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.857 -0.687 . . . . 0.89 113.084 176.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.737 ' SG ' ' HG2' ' A' ' 10' ' ' GLU . 11.4 t -94.26 -57.53 2.48 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.627 -0.429 . . . . 1.67 110.212 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.3 m120 70.41 -42.54 0.52 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.13 0.972 . . . . 1.68 113.566 170.014 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 178.19 172.27 42.43 Favored Glycine 0 N--CA 1.441 -1.03 0 N-CA-C 110.617 -0.993 . . . . 0.55 110.617 -177.548 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -52.35 -41.02 69.17 Favored 'Trans proline' 0 CA--C 1.528 0.208 0 C-N-CA 123.043 2.495 . . . . 0.72 112.714 -177.62 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -72.84 -32.41 65.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.107 -0.497 . . . . 2.6 111.025 -176.605 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.657 ' HB2' ' O ' ' A' ' 4' ' ' CYS . 4.3 mt-30 -93.6 -13.12 28.05 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.151 -0.477 . . . . 2.02 110.64 -173.63 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.737 ' HG2' ' SG ' ' A' ' 4' ' ' CYS . 1.2 tm-20 -45.84 117.68 1.57 Allowed 'General case' 0 C--O 1.236 0.36 0 O-C-N 124.018 0.824 . . . . 1.86 111.255 -178.702 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -85.76 -93.78 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.035 -0.984 . . . . 2.14 110.791 -177.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.3 t70 177.44 -64.06 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.214 -0.662 . . . . 2.02 109.214 -179.1 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.0 tp -104.91 -18.72 14.1 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 114.98 -1.009 . . . . 0.54 111.004 -172.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.403 ' HE3' ' HA3' ' A' ' 3' ' ' GLY . 11.2 mmmt -56.14 -41.98 76.22 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 111.657 0.243 . . . . 1.82 111.657 -179.155 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 32.3 t -64.83 -43.79 91.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.232 0.539 . . . . 1.33 109.701 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.634 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 48.7 t60 -59.81 -52.74 64.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.66 -0.7 . . . . 0.37 110.249 176.508 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -57.46 -38.06 73.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.385 -0.825 . . . . 0.54 112.235 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -55.02 -42.9 73.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.309 0.576 . . . . 0.46 110.723 178.496 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.52 ' SG ' ' HA3' ' A' ' 28' ' ' GLY . 19.9 m -76.75 -16.63 59.43 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.809 -0.632 . . . . 0.43 110.862 -177.408 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.634 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 1.7 mmmp? -76.35 -26.18 55.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.934 0.397 . . . . 0.98 110.642 -178.151 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.6 p -89.47 -0.93 57.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.195 -0.457 . . . . 1.35 111.382 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.559 HG22 ' HG2' ' A' ' 23' ' ' LYS . 28.6 mt -100.04 149.13 6.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.523 -0.547 . . . . 0.41 109.523 175.194 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.559 ' HG2' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -2.29 -86.13 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.122 1.369 . . . . 1.92 114.405 -175.873 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -150.46 41.1 0.81 Allowed Glycine 0 N--CA 1.441 -1.011 0 C-N-CA 119.353 -1.404 . . . . 0.5 113.564 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.442 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 90.5 m-85 -68.27 145.95 53.77 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 120.358 -0.537 . . . . 0.72 109.917 170.554 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -84.01 -40.55 18.28 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.504 -0.771 . . . . 1.74 110.513 -175.67 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -164.82 -175.12 35.28 Favored Glycine 0 N--CA 1.439 -1.144 0 C-N-CA 120.469 -0.872 . . . . 0.25 111.844 -179.355 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.52 ' HA3' ' SG ' ' A' ' 19' ' ' CYS . . . -151.34 142.17 9.26 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.529 -0.843 . . . . 0.35 112.834 -178.122 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.548 ' CE2' ' HD3' ' A' ' 38' ' ' LYS . 2.5 p90 -143.57 147.36 34.31 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.183 0.516 . . . . 0.89 110.16 -179.259 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.464 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 25.3 m -72.45 112.68 8.73 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.667 -0.697 . . . . 0.58 109.852 -177.778 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.0 -42.41 60.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.916 -0.584 . . . . 0.42 111.926 -168.293 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -123.71 68.45 1.03 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.821 0.343 . . . . 2.82 110.637 -176.162 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.33 -47.52 3.76 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.886 -0.673 . . . . 1.69 112.784 174.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.704 ' HA2' ' SG ' ' A' ' 4' ' ' CYS . . . 172.72 -27.14 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.474 -0.87 . . . . 0.89 112.486 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -52.34 -47.12 66.25 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.157 0.503 . . . . 1.09 111.807 -176.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -110.55 128.86 66.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.851 -0.613 . . . . 0.79 111.278 -175.746 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 50.7 t -102.04 95.56 6.43 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.355 -0.838 . . . . 1.27 108.769 177.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.551 ' HG2' ' N ' ' A' ' 39' ' ' CYS . 66.8 tttt -84.44 157.75 21.28 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.664 -0.698 . . . . 1.49 110.397 -177.257 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.551 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 54.6 m -132.74 156.97 46.07 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.03 -0.532 . . . . 0.36 109.864 -176.141 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 15.2 p90 . . . . . 0 C--O 1.241 0.653 0 CA-C-O 118.317 -0.849 . . . . 1.15 110.057 -179.873 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 . . . . . 0 CA--C 1.522 -0.102 0 CA-C-O 121.641 0.734 . . . . 1.01 110.337 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 136.0 -68.08 0.53 Allowed Glycine 0 N--CA 1.444 -0.774 0 CA-C-N 114.747 -1.115 . . . . 0.89 110.446 -176.199 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.794 ' SG ' ' HA ' ' A' ' 10' ' ' GLU . 3.2 m -70.33 102.14 2.08 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-O 121.624 0.726 . . . . 1.67 110.85 175.769 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.463 ' H ' ' HB2' ' A' ' 9' ' ' GLN . 3.5 m-20 -103.23 27.68 7.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.205 -0.907 . . . . 1.68 110.588 178.407 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 126.38 170.12 12.9 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 111.187 -0.765 . . . . 0.55 111.187 -174.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -47.32 -43.86 25.63 Favored 'Trans proline' 0 CA--C 1.532 0.413 0 C-N-CA 123.706 2.938 . . . . 0.72 113.337 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.7 m95 -75.62 -14.69 60.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.284 0.564 . . . . 2.6 111.129 -175.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.463 ' HB2' ' H ' ' A' ' 5' ' ' ASN . 17.0 mm-40 -108.97 -3.26 17.64 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.362 -0.835 . . . . 2.02 109.91 -173.798 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.794 ' HA ' ' SG ' ' A' ' 4' ' ' CYS . 4.3 tm-20 -48.51 114.8 1.04 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.673 -1.149 . . . . 1.86 112.001 -177.728 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -141.47 114.34 8.5 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.445 -0.798 . . . . 2.14 109.466 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -65.3 -42.97 92.55 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.386 -0.825 . . . . 2.02 111.522 -176.037 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.6 tp -70.64 -36.36 73.38 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.918 -0.583 . . . . 0.54 112.005 -170.125 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm -62.2 -46.6 88.2 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.928 -0.309 . . . . 1.82 111.007 177.608 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.4 m -67.21 -37.0 82.89 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.135 0.493 . . . . 1.33 109.794 176.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.656 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 61.9 t60 -59.05 -53.38 58.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.596 -0.729 . . . . 0.37 110.185 175.295 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -57.69 -37.51 73.6 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.165 -0.925 . . . . 0.54 111.829 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.537 ' CE1' HD11 ' A' ' 22' ' ' ILE . 11.9 t60 -57.61 -46.89 83.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.981 0.42 . . . . 0.46 110.455 176.276 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.487 ' SG ' ' HA3' ' A' ' 28' ' ' GLY . 37.9 m -73.41 -20.67 60.68 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.07 -0.514 . . . . 0.43 111.168 -177.232 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.656 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 1.9 mmmp? -64.63 -26.24 68.31 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.343 0.592 . . . . 0.98 110.064 176.823 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.2 t -87.87 -6.97 57.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.461 -0.79 . . . . 1.35 111.038 -178.119 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.699 HG22 ' HG2' ' A' ' 23' ' ' LYS . 26.0 mt -102.61 140.44 20.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 120.822 -0.351 . . . . 0.41 110.739 -178.46 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.699 ' HG2' HG22 ' A' ' 22' ' ' ILE . 1.8 ptpp? -1.05 -102.32 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 115.478 1.658 . . . . 1.92 115.478 -175.473 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -114.82 27.3 8.8 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.464 -0.874 . . . . 0.5 112.46 -176.354 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.406 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 11.9 m-30 -74.31 131.62 41.33 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.899 0.38 . . . . 0.72 110.09 178.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -80.4 -40.95 25.47 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.868 -0.605 . . . . 1.74 111.053 -175.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -162.54 -174.84 32.92 Favored Glycine 0 N--CA 1.439 -1.159 0 C-N-CA 120.611 -0.804 . . . . 0.25 111.819 -178.52 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.555 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -148.57 146.62 16.33 Favored Glycine 0 N--CA 1.444 -0.833 0 C-N-CA 120.79 -0.719 . . . . 0.35 111.964 -178.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -144.71 147.85 33.49 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.983 0.421 . . . . 0.89 109.931 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.682 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 3.3 m -78.13 105.24 9.22 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.492 -0.559 . . . . 0.58 109.492 -179.279 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.19 -57.32 4.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.892 -0.594 . . . . 0.42 111.702 -171.667 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -97.74 63.38 1.7 Allowed 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 112.243 0.46 . . . . 2.82 112.243 -173.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.99 45.55 8.25 Favored Glycine 0 CA--C 1.51 -0.255 0 C-N-CA 120.445 -0.883 . . . . 1.69 113.448 166.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.674 ' C ' ' HB3' ' A' ' 4' ' ' CYS . . . 65.88 45.38 88.53 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.81 -0.709 . . . . 0.89 112.812 -179.631 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -125.51 -72.17 0.67 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.75 0.309 . . . . 1.09 111.247 177.309 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.682 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 2.4 p -84.12 129.87 36.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.105 -0.498 . . . . 0.79 111.455 -177.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 69.4 m -87.39 81.7 7.77 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.68 -0.691 . . . . 1.27 109.98 176.012 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.472 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 21.4 tptm -68.34 138.24 55.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.01 -0.541 . . . . 1.49 110.124 178.292 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.5 m -116.34 155.09 29.06 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.822 -0.627 . . . . 0.36 110.145 -176.328 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 15.1 p90 . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.49 -0.767 . . . . 1.15 110.779 -178.373 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 . . . . . 0 CA--C 1.523 -0.085 0 CA-C-O 121.359 0.599 . . . . 1.01 110.637 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 95.15 -56.42 1.78 Allowed Glycine 0 N--CA 1.444 -0.823 0 CA-C-N 115.316 -0.856 . . . . 0.89 111.553 -179.104 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.507 ' SG ' ' HA ' ' A' ' 10' ' ' GLU . 30.7 m -84.1 86.48 7.21 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-O 121.713 0.768 . . . . 1.67 111.173 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.511 ' H ' ' HB2' ' A' ' 9' ' ' GLN . 56.2 m-20 -102.62 36.46 2.17 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.763 -1.108 . . . . 1.68 109.263 173.463 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 121.66 153.99 9.09 Favored Glycine 0 N--CA 1.442 -0.952 0 N-CA-C 110.509 -1.037 . . . . 0.55 110.509 -171.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -44.7 -37.9 12.0 Favored 'Trans proline' 0 N--CA 1.476 0.451 0 C-N-CA 123.948 3.099 . . . . 0.72 113.928 178.11 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -67.62 -30.38 69.94 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.465 0.65 . . . . 2.6 110.385 -178.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.511 ' HB2' ' H ' ' A' ' 5' ' ' ASN . 33.8 mm-40 -90.24 -17.91 26.63 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.212 -0.904 . . . . 2.02 110.028 -178.063 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.507 ' HA ' ' SG ' ' A' ' 4' ' ' CYS . 17.3 tt0 -37.77 112.24 0.2 Allowed 'General case' 0 C--O 1.235 0.323 0 O-C-N 124.717 1.261 . . . . 1.86 112.792 -171.095 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -129.41 109.94 11.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.649 -0.705 . . . . 2.14 109.573 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -59.25 -51.23 70.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.892 -1.049 . . . . 2.02 112.0 -176.688 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.434 ' HG ' ' ND2' ' A' ' 17' ' ' ASN . 20.1 tp -74.8 -34.41 62.39 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.936 -0.574 . . . . 0.54 111.917 -171.686 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.1 tppt? -59.91 -43.89 94.59 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 121.126 -0.23 . . . . 1.82 110.615 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.9 t -67.29 -44.98 77.92 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.616 -0.513 . . . . 1.33 109.616 178.73 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.696 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 55.1 t60 -54.97 -52.23 63.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.654 -0.703 . . . . 0.37 110.126 175.289 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.434 ' ND2' ' HG ' ' A' ' 13' ' ' LEU . 82.4 m-20 -59.27 -38.59 80.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.48 -0.782 . . . . 0.54 111.948 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.541 ' CE1' HD11 ' A' ' 22' ' ' ILE . 4.5 t-80 -60.22 -44.6 95.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.919 0.39 . . . . 0.46 110.754 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.596 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 44.1 m -73.43 -24.4 60.24 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.076 -0.511 . . . . 0.43 111.248 -177.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.696 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 2.5 mmmp? -57.62 -37.02 72.58 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.02 0.438 . . . . 0.98 111.037 -178.63 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 42.0 m -93.18 1.15 57.24 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.737 -0.665 . . . . 1.35 112.095 -174.142 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.742 HG22 ' HG2' ' A' ' 23' ' ' LYS . 52.3 mt -92.08 135.06 28.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.656 -0.418 . . . . 0.41 110.061 176.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.742 ' HG2' HG22 ' A' ' 22' ' ' ILE . 8.6 ptmt 11.85 -93.84 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.264 1.426 . . . . 1.92 114.473 -172.37 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -128.74 28.29 4.21 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.897 -0.668 . . . . 0.5 111.85 -179.213 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.596 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 14.3 m-30 -68.1 146.38 53.52 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.297 0.57 . . . . 0.72 110.839 178.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.5 ttpp -92.62 -49.86 5.89 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.26 -0.882 . . . . 1.74 111.03 -175.183 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -153.97 -177.84 27.81 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.635 -0.793 . . . . 0.25 111.479 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.566 ' HA3' ' SG ' ' A' ' 19' ' ' CYS . . . -150.16 144.83 12.4 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.304 -0.951 . . . . 0.35 112.634 -179.664 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.433 ' O ' ' HD2' ' A' ' 29' ' ' TYR . 0.1 OUTLIER -147.53 153.13 39.11 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.423 0.63 . . . . 0.89 111.072 178.621 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.656 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 32.3 m -84.15 101.93 12.2 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.636 -0.711 . . . . 0.58 109.906 -176.047 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.57 -52.99 58.65 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 115.261 -0.881 . . . . 0.42 111.995 -168.036 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -90.85 50.65 1.83 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.33 0.586 . . . . 2.82 110.345 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 85.34 -66.11 3.87 Favored Glycine 0 N--CA 1.441 -0.98 0 N-CA-C 110.976 -0.85 . . . . 1.69 110.976 176.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.476 ' HA2' ' HB3' ' A' ' 30' ' ' CYS . . . -167.45 32.14 0.2 Allowed Glycine 0 N--CA 1.444 -0.789 0 CA-C-N 114.914 -0.643 . . . . 0.89 112.075 -177.486 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -108.02 -30.12 8.62 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.73 0.3 . . . . 1.09 111.484 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.656 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 2.2 p -131.97 135.35 58.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.116 -0.493 . . . . 0.79 110.805 -175.665 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 39.9 t -97.87 94.38 6.87 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.186 -0.672 . . . . 1.27 109.186 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.4 tptt -84.49 141.0 31.07 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.49 -0.777 . . . . 1.49 110.281 -179.518 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 36.9 m -124.06 156.89 35.75 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.746 -0.661 . . . . 0.36 109.84 -177.631 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.4 p90 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.861 -0.59 . . . . 1.15 109.694 -179.37 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 . . . . . 0 CA--C 1.519 -0.222 0 CA-C-O 121.304 0.573 . . . . 1.01 110.129 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 86.38 -50.07 4.17 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.513 -0.767 . . . . 0.89 111.516 -177.296 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.896 ' SG ' ' HA2' ' A' ' 34' ' ' GLY . 5.9 t -81.04 109.89 16.04 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.713 -0.847 . . . . 1.67 108.713 175.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -119.2 21.86 12.08 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.868 -0.605 . . . . 1.68 111.006 -174.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 139.27 179.75 17.82 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.695 -0.764 . . . . 0.55 111.579 -175.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -48.41 -59.0 1.41 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 123.673 2.915 . . . . 0.72 113.116 -178.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -70.97 -26.05 62.99 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.471 0.653 . . . . 2.6 110.614 -176.652 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -89.18 -1.18 57.98 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.262 -0.881 . . . . 2.02 111.267 -175.242 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.821 ' HA ' ' SG ' ' A' ' 4' ' ' CYS . 9.9 mt-10 -53.22 126.36 20.7 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.449 0.642 . . . . 1.86 112.561 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.412 ' OD1' ' HG2' ' A' ' 14' ' ' LYS . 8.7 t70 -140.95 98.05 3.31 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.016 -0.993 . . . . 2.14 108.56 174.474 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -53.54 -43.12 68.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.884 -1.053 . . . . 2.02 112.01 -173.208 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.8 tp -72.68 -31.37 64.99 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.254 -0.43 . . . . 0.54 111.653 -174.37 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.412 ' HG2' ' OD1' ' A' ' 11' ' ' ASP . 29.9 mmmt -64.11 -45.6 87.88 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.88 -0.328 . . . . 1.82 110.458 177.284 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.413 ' SG ' ' HB2' ' A' ' 4' ' ' CYS . 74.7 m -63.39 -43.62 97.05 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.295 -0.631 . . . . 1.33 109.295 175.711 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.684 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 48.3 t60 -55.75 -55.06 36.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.988 -1.006 . . . . 0.37 110.45 177.008 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -57.8 -35.99 71.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.521 -0.763 . . . . 0.54 112.206 -178.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -62.16 -45.2 94.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.061 0.458 . . . . 0.46 110.359 178.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.605 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 35.4 m -71.27 -27.08 63.19 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.93 -0.577 . . . . 0.43 110.71 -177.579 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.684 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 2.4 mmmp? -58.91 -35.65 73.42 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.979 0.418 . . . . 0.98 111.082 -178.453 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.0 m -85.26 -4.02 59.02 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.046 -0.525 . . . . 1.35 111.507 -175.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.735 HG22 ' HG2' ' A' ' 23' ' ' LYS . 36.4 mt -99.95 136.67 30.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.575 0.226 . . . . 0.41 110.894 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.735 ' HG2' HG22 ' A' ' 22' ' ' ILE . 13.0 ptpt 13.05 -100.34 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.059 0 O-C-N 125.086 1.491 . . . . 1.92 114.597 -176.138 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.54 26.13 5.79 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 121.11 -0.566 . . . . 0.5 112.608 -176.302 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.605 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 13.6 m-30 -65.0 143.24 58.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.112 0.482 . . . . 0.72 110.459 178.551 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -90.56 -44.38 9.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.715 -0.675 . . . . 1.74 110.303 -178.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -160.58 -174.0 29.85 Favored Glycine 0 N--CA 1.437 -1.28 0 C-N-CA 120.355 -0.926 . . . . 0.25 112.177 -178.569 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.573 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -154.86 160.24 29.55 Favored Glycine 0 N--CA 1.443 -0.892 0 N-CA-C 111.55 -0.62 . . . . 0.35 111.55 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.9 p90 -160.67 158.37 28.69 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 110.238 -0.282 . . . . 0.89 110.238 -177.722 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.566 ' SG ' ' HG2' ' A' ' 10' ' ' GLU . 5.6 m -71.81 115.9 11.56 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.032 -0.729 . . . . 0.58 109.032 177.075 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.1 -39.0 14.94 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.036 0.445 . . . . 0.42 111.905 -172.436 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.431 ' HE3' ' HA ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -129.64 71.54 1.44 Allowed 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 120.843 -0.343 . . . . 2.82 111.87 -176.692 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 69.32 39.36 81.54 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.715 -0.755 . . . . 1.69 112.408 171.302 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.896 ' HA2' ' SG ' ' A' ' 4' ' ' CYS . . . 75.02 -4.49 38.64 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.851 -0.69 . . . . 0.89 113.9 178.096 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -80.4 -12.69 59.54 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.937 0.369 . . . . 1.09 111.654 -176.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.437 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 1.5 p -152.12 132.16 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.95 0.405 . . . . 0.79 111.659 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 99.9 m -96.78 92.38 6.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.619 -0.719 . . . . 1.27 109.781 174.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.556 ' HG2' ' N ' ' A' ' 39' ' ' CYS . 40.1 tttp -73.29 159.78 32.86 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.725 -0.472 . . . . 1.49 109.725 177.131 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.556 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 56.2 m -127.82 158.62 37.24 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.791 -0.448 . . . . 0.36 109.791 -178.396 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 18.8 p90 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.733 -0.651 . . . . 1.15 109.655 179.764 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.471 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 93.4 m-85 . . . . . 0 N--CA 1.452 -0.349 0 CA-C-O 121.156 0.503 . . . . 1.01 110.708 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.512 ' HA3' ' HG2' ' A' ' 14' ' ' LYS . . . 108.6 -56.56 0.46 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.72 -0.752 . . . . 0.89 113.672 175.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.801 ' SG ' ' HA2' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -58.45 -61.86 2.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 119.684 -0.198 . . . . 1.67 111.145 -177.261 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 57.09 31.89 20.75 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 120.959 0.409 . . . . 1.68 111.887 175.343 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 97.5 168.91 32.77 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.542 -0.837 . . . . 0.55 112.666 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -52.31 -36.7 69.24 Favored 'Trans proline' 0 N--CA 1.475 0.392 0 C-N-CA 124.38 3.387 . . . . 0.72 114.171 -177.147 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 3.4 m95 -54.54 -41.97 70.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.682 -0.69 . . . . 2.6 111.293 -173.283 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.3 -61.47 1.48 Allowed 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.956 -0.757 . . . . 2.02 108.956 -179.129 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.673 ' HA ' ' SG ' ' A' ' 4' ' ' CYS . 13.4 tt0 50.9 57.0 7.13 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.916 -1.038 . . . . 1.86 112.129 172.798 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.551 ' H ' ' HA ' ' A' ' 4' ' ' CYS . 6.2 t70 -82.63 89.61 6.73 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.049 -0.722 . . . . 2.14 109.049 173.094 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.611 ' HA ' ' SG ' ' A' ' 30' ' ' CYS . 16.3 t70 -67.24 -36.73 82.25 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.825 -0.625 . . . . 2.02 111.053 -174.427 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 25.2 tp -65.57 -34.22 77.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.872 -0.604 . . . . 0.54 111.106 -178.55 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.512 ' HG2' ' HA3' ' A' ' 3' ' ' GLY . 4.6 tppt? -60.29 -43.21 96.46 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 110.011 -0.366 . . . . 1.82 110.011 176.503 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 71.1 m -58.67 -46.54 86.99 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 121.228 0.537 . . . . 1.33 109.795 175.519 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.692 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 70.8 t60 -57.58 -55.58 32.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.25 -0.886 . . . . 0.37 110.355 176.448 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -57.63 -36.06 71.32 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.64 -0.709 . . . . 0.54 112.069 -178.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.483 ' CE1' HD11 ' A' ' 22' ' ' ILE . 19.9 t60 -60.64 -48.15 83.08 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.694 0.283 . . . . 0.46 110.983 178.744 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.482 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 34.2 m -70.32 -23.45 62.84 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.379 -0.373 . . . . 0.43 111.072 -176.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.692 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 1.9 mmmp? -60.49 -33.46 72.64 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.98 0.419 . . . . 0.98 111.302 -178.708 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.4 m -95.05 4.53 53.64 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.005 -0.543 . . . . 1.35 111.673 -175.29 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.606 HG22 ' HG2' ' A' ' 23' ' ' LYS . 43.5 mt -95.96 135.52 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 110.223 -0.288 . . . . 0.41 110.223 176.772 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.606 ' HG2' HG22 ' A' ' 22' ' ' ILE . 1.1 ptpp? 12.75 -92.45 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.007 0 O-C-N 125.072 1.483 . . . . 1.92 114.623 -174.179 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.47 26.69 3.47 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.626 -0.797 . . . . 0.5 112.702 -177.445 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.482 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 13.3 m-30 -63.95 153.98 35.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.349 0.595 . . . . 0.72 110.982 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.452 ' HB3' ' O ' ' A' ' 40' ' ' TYR . 77.0 tttt -89.74 -46.34 8.67 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.38 -0.827 . . . . 1.74 110.374 -178.606 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -168.12 -167.63 29.06 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.773 -0.727 . . . . 0.25 112.137 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.408 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -152.93 166.33 31.4 Favored Glycine 0 N--CA 1.446 -0.687 0 N-CA-C 111.38 -0.688 . . . . 0.35 111.38 178.48 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.409 ' CE2' ' HD3' ' A' ' 38' ' ' LYS . 12.8 p90 -163.11 157.61 20.88 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.842 0.353 . . . . 0.89 110.4 -179.728 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.611 ' SG ' ' HA ' ' A' ' 12' ' ' ASP . 35.5 m -77.47 106.73 9.43 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.337 -0.616 . . . . 0.58 109.337 176.787 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.27 -45.95 18.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.291 -0.413 . . . . 0.42 111.929 -171.541 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -105.76 50.15 0.79 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.505 -0.316 . . . . 2.82 111.117 -176.639 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.41 38.42 93.54 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.694 -0.765 . . . . 1.69 112.815 174.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.801 ' HA2' ' SG ' ' A' ' 4' ' ' CYS . . . 99.51 -14.65 60.61 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.562 -0.827 . . . . 0.89 113.412 176.389 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -76.36 -9.66 58.81 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 112.296 0.48 . . . . 1.09 112.296 -176.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.538 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 3.5 p -159.62 135.53 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.187 0.518 . . . . 0.79 111.745 -177.585 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.471 ' SG ' ' HB2' ' A' ' 2' ' ' PHE . 66.0 m -99.56 90.77 4.61 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.129 -0.942 . . . . 1.27 109.251 175.693 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.559 ' HG2' ' N ' ' A' ' 39' ' ' CYS . 38.9 tttp -78.44 158.59 28.63 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.455 -0.572 . . . . 1.49 109.455 178.331 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.559 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 35.2 m -125.63 153.04 44.37 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.497 -0.557 . . . . 0.36 109.497 -178.536 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.452 ' O ' ' HB3' ' A' ' 26' ' ' LYS . 21.4 p90 . . . . . 0 C--O 1.246 0.899 0 CA-C-O 118.071 -0.966 . . . . 1.15 109.387 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 . . . . . 0 N--CA 1.465 0.296 0 CA-C-O 120.965 0.412 . . . . 1.01 111.936 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.447 ' HA3' ' HB3' ' A' ' 14' ' ' LYS . . . 88.09 -38.36 3.19 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.73 -0.748 . . . . 0.89 112.986 175.718 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.873 ' SG ' ' HA2' ' A' ' 34' ' ' GLY . 35.9 t -81.14 -42.27 21.16 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.014 -0.365 . . . . 1.67 110.014 178.598 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 65.0 -39.31 0.26 Allowed 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 115.517 1.673 . . . . 1.68 115.517 170.214 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.439 ' C ' ' HA3' ' A' ' 34' ' ' GLY . . . 173.3 -177.06 45.88 Favored Glycine 0 N--CA 1.443 -0.837 0 N-CA-C 111.558 -0.617 . . . . 0.55 111.558 -173.347 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -61.63 -43.15 28.25 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 122.738 2.292 . . . . 0.72 112.421 -175.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -73.79 -28.09 61.47 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.32 -0.855 . . . . 2.6 110.706 -175.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.517 ' HB2' ' O ' ' A' ' 4' ' ' CYS . 10.3 mm100 -98.58 -4.09 34.86 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.261 -0.881 . . . . 2.02 110.921 -171.451 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.779 ' HG2' ' SG ' ' A' ' 4' ' ' CYS . 0.8 OUTLIER -46.87 97.52 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 O-C-N 124.289 0.993 . . . . 1.86 113.45 -174.103 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -114.25 111.16 21.08 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.837 -0.801 . . . . 2.14 108.837 170.654 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -61.83 -39.46 91.87 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.295 -0.866 . . . . 2.02 111.784 -173.373 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.436 ' HG ' ' ND2' ' A' ' 17' ' ' ASN . 23.8 tp -71.39 -39.61 71.06 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 120.748 -0.381 . . . . 0.54 111.192 -176.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.447 ' HB3' ' HA3' ' A' ' 3' ' ' GLY . 7.0 mmmm -58.58 -43.92 89.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.697 0.284 . . . . 1.82 110.86 176.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.4 t -64.83 -42.9 94.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.291 0.567 . . . . 1.33 109.631 177.284 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.688 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 63.0 t60 -58.55 -52.29 66.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.48 -0.782 . . . . 0.37 110.165 176.51 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.436 ' ND2' ' HG ' ' A' ' 13' ' ' LEU . 86.1 m-20 -61.17 -33.89 74.15 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.286 -0.87 . . . . 0.54 112.541 -178.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.483 ' CE1' HD11 ' A' ' 22' ' ' ILE . 9.8 t60 -58.24 -46.74 85.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.05 0.452 . . . . 0.46 110.178 177.168 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.517 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 34.0 m -72.54 -20.27 61.37 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.999 -0.546 . . . . 0.43 110.766 -178.559 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.688 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 28.9 mmmt -69.24 -20.53 63.95 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.11 0.481 . . . . 0.98 110.335 178.178 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.2 m -91.28 -5.63 54.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.846 -0.615 . . . . 1.35 110.897 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.722 HG22 ' HG2' ' A' ' 23' ' ' LYS . 30.2 mt -102.11 137.17 30.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.62 -0.264 . . . . 0.41 110.865 -177.711 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.722 ' HG2' HG22 ' A' ' 22' ' ' ILE . 8.2 ptpt 10.17 -92.77 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.039 0 O-C-N 125.175 1.547 . . . . 1.92 114.805 -175.163 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.11 24.32 3.8 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.671 -0.776 . . . . 0.5 112.502 -177.294 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.517 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 14.2 m-30 -62.4 146.14 52.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.207 0.527 . . . . 0.72 110.888 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -82.49 -44.7 15.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.435 -0.802 . . . . 1.74 110.614 -177.247 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -170.15 -167.11 30.14 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.649 -0.786 . . . . 0.25 112.226 -178.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.614 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -153.75 156.72 26.97 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 121.125 -0.559 . . . . 0.35 112.29 -178.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.535 ' CE2' ' HD2' ' A' ' 38' ' ' LYS . 2.7 p90 -157.45 151.85 25.0 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.69 -0.485 . . . . 0.89 109.69 179.1 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.497 ' SG ' ' HG2' ' A' ' 10' ' ' GLU . 3.5 m -77.55 120.96 23.24 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.055 -0.52 . . . . 0.58 109.667 -177.203 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.44 -47.9 10.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.417 -0.356 . . . . 0.42 111.921 -171.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -131.54 77.13 1.75 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.948 0.404 . . . . 2.82 111.157 -175.057 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 73.77 44.08 32.97 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.82 -0.705 . . . . 1.69 112.871 170.72 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.873 ' HA2' ' SG ' ' A' ' 4' ' ' CYS . . . 77.7 -36.66 1.63 Allowed Glycine 0 CA--C 1.517 0.173 0 N-CA-C 114.478 0.551 . . . . 0.89 114.478 173.455 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -51.73 -48.47 63.61 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.327 0.491 . . . . 1.09 112.327 -175.439 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.5 p -104.5 123.67 58.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.519 0.676 . . . . 0.79 111.517 -177.028 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.3 t -97.96 90.34 4.88 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.642 -1.163 . . . . 1.27 109.124 179.124 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.535 ' HD2' ' CE2' ' A' ' 29' ' ' TYR . 8.9 tmtm? -81.85 144.74 30.81 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.703 -0.68 . . . . 1.49 109.998 -176.723 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.3 m -115.02 151.92 33.36 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.937 0.398 . . . . 0.36 110.603 -176.2 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 23.7 p90 . . . . . 0 C--O 1.246 0.91 0 N-CA-C 109.375 -0.602 . . . . 1.15 109.375 -179.571 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 121.25 0.548 . . . . 1.01 110.112 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 88.33 -57.52 4.22 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.631 -0.713 . . . . 0.89 111.807 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.702 ' SG ' ' HG3' ' A' ' 10' ' ' GLU . 10.8 m -87.72 93.18 9.37 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 122.184 0.992 . . . . 1.67 111.297 -178.137 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -115.92 46.42 1.54 Allowed 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 113.606 -1.634 . . . . 1.68 109.022 176.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 100.12 160.43 28.39 Favored Glycine 0 N--CA 1.441 -0.983 0 N-CA-C 110.82 -0.912 . . . . 0.55 110.82 -171.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -45.45 -37.98 15.31 Favored 'Trans proline' 0 CA--C 1.53 0.321 0 C-N-CA 124.078 3.185 . . . . 0.72 113.773 -178.336 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -64.33 -32.64 74.32 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.952 -0.567 . . . . 2.6 111.614 -174.384 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.59 -16.57 14.32 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.408 -0.36 . . . . 2.02 110.502 -176.712 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.702 ' HG3' ' SG ' ' A' ' 4' ' ' CYS . 50.4 tt0 -36.54 117.44 0.49 Allowed 'General case' 0 C--O 1.236 0.363 0 O-C-N 124.444 1.09 . . . . 1.86 113.669 -175.359 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -135.63 106.16 6.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.975 -1.012 . . . . 2.14 108.744 174.017 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -60.25 -41.78 93.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.421 -0.809 . . . . 2.02 111.485 -173.207 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 22.9 tp -72.59 -34.63 67.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.263 -0.426 . . . . 0.54 111.564 -175.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.7 tppt? -58.1 -44.01 87.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.82 0.343 . . . . 1.82 110.163 177.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.1 t -66.39 -44.02 84.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.941 -0.572 . . . . 1.33 109.763 177.625 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.516 ' NE2' ' HD2' ' A' ' 20' ' ' LYS . 75.1 t60 -56.07 -46.26 79.04 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.558 -0.746 . . . . 0.37 109.919 176.513 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -66.42 -35.17 79.64 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.558 -0.746 . . . . 0.54 111.783 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -62.87 -50.91 69.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.775 0.321 . . . . 0.46 111.117 179.424 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.556 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 60.9 m -66.89 -31.42 72.0 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.282 -0.417 . . . . 0.43 111.616 -174.633 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.516 ' HD2' ' NE2' ' A' ' 16' ' ' HIS . 29.4 mtpp -74.38 -12.18 60.45 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.991 0.424 . . . . 0.98 111.522 -177.351 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.3 t -87.98 -4.78 58.77 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.314 0.578 . . . . 1.35 109.442 174.258 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.652 HG22 ' HG2' ' A' ' 23' ' ' LYS . 36.3 mt -102.16 154.33 5.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-N 115.614 -0.721 . . . . 0.41 109.554 178.184 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.652 ' HG2' HG22 ' A' ' 22' ' ' ILE . 2.2 ptmm? -24.36 -98.44 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 116.084 1.883 . . . . 1.92 116.084 -172.377 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -102.74 10.89 56.13 Favored Glycine 0 CA--C 1.509 -0.337 0 C-N-CA 120.511 -0.852 . . . . 0.5 112.76 -171.59 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.556 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 4.5 m-30 -64.43 128.85 37.56 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.727 -0.471 . . . . 0.72 109.727 179.203 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -80.6 -42.04 22.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.358 0.599 . . . . 1.74 110.346 -177.451 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -163.13 -172.04 30.13 Favored Glycine 0 N--CA 1.439 -1.152 0 CA-C-N 115.369 -0.832 . . . . 0.25 111.5 -179.17 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.513 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -146.17 153.95 25.64 Favored Glycine 0 N--CA 1.444 -0.81 0 N-CA-C 111.212 -0.755 . . . . 0.35 111.212 178.563 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.589 ' CE2' ' HD2' ' A' ' 38' ' ' LYS . 12.7 p90 -152.82 154.67 35.62 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.231 0.539 . . . . 0.89 110.267 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.644 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 9.7 m -90.89 90.52 7.94 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 121.657 0.742 . . . . 0.58 109.631 -177.771 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.478 ' HB3' ' CG2' ' A' ' 36' ' ' VAL . . . -59.44 -57.01 14.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.205 -1.361 . . . . 0.42 112.719 -167.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -88.87 40.39 0.97 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.574 -0.284 . . . . 2.82 111.444 -173.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 70.45 47.59 41.85 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.47 -0.871 . . . . 1.69 112.331 175.459 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.93 -13.31 67.96 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.617 -0.802 . . . . 0.89 113.376 176.138 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -79.29 -22.43 44.63 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 117.155 0.477 . . . . 1.09 112.2 -176.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.644 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 1.7 m -132.5 152.06 35.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.267 -0.573 . . . . 0.79 110.767 178.729 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 48.5 t -111.51 93.15 4.32 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.669 -0.696 . . . . 1.27 109.19 171.352 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.589 ' HD2' ' CE2' ' A' ' 29' ' ' TYR . 8.5 tmtm? -97.86 148.36 23.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.328 -0.396 . . . . 1.49 110.261 -177.201 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 22.2 m -117.42 153.76 32.53 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.349 -0.387 . . . . 0.36 110.53 -177.36 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 10.3 p90 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.369 -0.824 . . . . 1.15 109.928 -179.723 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 . . . . . 0 C--O 1.233 0.218 0 CA-C-O 121.075 0.464 . . . . 1.01 110.311 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 143.4 -58.39 0.54 Allowed Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.288 -0.725 . . . . 0.89 111.288 -172.537 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.592 ' HA ' ' HA ' ' A' ' 10' ' ' GLU . 33.8 m -81.24 71.91 8.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.651 0.739 . . . . 1.67 109.274 174.615 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -91.61 39.6 1.01 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.648 -0.705 . . . . 1.68 109.959 -176.772 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 102.31 161.7 26.3 Favored Glycine 0 N--CA 1.443 -0.892 0 N-CA-C 110.683 -0.967 . . . . 0.55 110.683 -172.692 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -46.41 -42.99 22.51 Favored 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 123.718 2.946 . . . . 0.72 113.715 -175.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -67.74 -30.38 69.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.177 -0.465 . . . . 2.6 111.743 -174.148 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -105.26 -12.23 16.17 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.307 -0.406 . . . . 2.02 110.573 -173.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.592 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 0.6 OUTLIER -45.72 108.06 0.12 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.872 -1.058 . . . . 1.86 112.522 -174.588 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -114.39 137.68 51.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.58 -0.737 . . . . 2.14 109.98 176.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -77.51 -31.74 53.7 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.163 -0.926 . . . . 2.02 112.294 -169.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.5 tp -100.28 -29.74 12.27 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 112.002 0.371 . . . . 0.54 112.002 -173.296 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -54.23 -48.66 70.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.754 0.311 . . . . 1.82 111.803 -177.359 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.415 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 39.9 m -78.52 -24.59 45.68 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.38 -0.528 . . . . 1.33 111.254 -176.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.706 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 61.6 t60 -64.33 -50.74 66.57 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.56 -0.904 . . . . 0.37 108.56 169.346 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 55.9 m-20 -57.18 -38.84 74.2 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.122 -0.945 . . . . 0.54 112.006 178.551 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.51 ' CE1' HD11 ' A' ' 22' ' ' ILE . 16.5 t60 -59.48 -47.6 84.88 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.305 -0.407 . . . . 0.46 110.936 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.573 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 31.3 m -71.71 -20.07 61.97 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.454 -0.339 . . . . 0.43 110.994 -176.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.706 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 1.9 mmmp? -65.18 -26.81 68.32 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.885 0.374 . . . . 0.98 110.695 -179.39 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.4 m -97.71 6.92 47.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.959 -0.564 . . . . 1.35 111.291 -177.09 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.676 HG22 ' HG2' ' A' ' 23' ' ' LYS . 32.7 mt -106.22 136.88 39.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 110.08 -0.341 . . . . 0.41 110.08 175.56 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.676 ' HG2' HG22 ' A' ' 22' ' ' ILE . 8.6 ptpt 9.53 -97.93 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.045 0 O-C-N 125.111 1.507 . . . . 1.92 114.556 -174.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -126.65 29.21 4.52 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.687 -0.768 . . . . 0.5 112.428 -178.344 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.573 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 13.8 m-30 -70.1 132.73 46.28 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.906 0.384 . . . . 0.72 109.998 177.032 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -83.24 -37.2 23.87 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.809 -0.632 . . . . 1.74 111.112 -175.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -163.22 -178.69 37.18 Favored Glycine 0 N--CA 1.441 -0.975 0 C-N-CA 120.404 -0.903 . . . . 0.25 112.037 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.536 ' HA3' ' SG ' ' A' ' 19' ' ' CYS . . . -151.87 151.36 23.27 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 121.054 -0.593 . . . . 0.35 111.806 -179.456 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -159.53 158.69 32.27 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.797 0.332 . . . . 0.89 110.348 -176.093 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.71 119.62 20.75 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.943 -0.762 . . . . 0.58 108.943 177.225 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.79 -43.03 11.55 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 111.786 0.291 . . . . 0.42 111.786 -174.627 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -117.01 80.62 1.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.693 -0.403 . . . . 2.82 111.849 -175.314 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.16 33.65 48.91 Favored Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 121.168 -0.539 . . . . 1.69 113.641 167.278 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.0 24.07 67.51 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.355 -0.926 . . . . 0.89 112.853 179.032 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -111.67 -83.5 0.58 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.897 0.379 . . . . 1.09 111.795 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.418 HG12 ' H ' ' A' ' 36' ' ' VAL . 1.6 p -70.56 115.55 10.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.617 0.722 . . . . 0.79 111.921 -174.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.511 ' SG ' ' HB2' ' A' ' 4' ' ' CYS . 76.6 m -83.57 89.77 7.15 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.576 -1.193 . . . . 1.27 110.618 176.039 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.536 ' HG2' ' N ' ' A' ' 39' ' ' CYS . 35.7 tttp -73.18 158.86 34.44 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.025 -0.989 . . . . 1.49 109.73 176.149 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.536 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 32.1 m -129.32 158.5 38.94 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.473 -0.936 . . . . 0.36 108.473 178.711 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 9.9 p90 . . . . . 0 C--O 1.244 0.77 0 CA-C-O 118.972 -0.537 . . . . 1.15 110.617 179.738 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 . . . . . 0 N--CA 1.454 -0.24 0 CA-C-O 121.16 0.505 . . . . 1.01 110.354 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.468 ' C ' ' HB2' ' A' ' 11' ' ' ASP . . . 151.82 -71.69 0.29 Allowed Glycine 0 N--CA 1.444 -0.776 0 CA-C-N 115.456 -0.793 . . . . 0.89 111.438 -177.23 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.4 m -67.89 106.4 2.29 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-O 120.946 0.403 . . . . 1.67 110.106 178.027 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.453 ' HB2' ' HG3' ' A' ' 9' ' ' GLN . 88.7 m-20 -107.98 42.59 1.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.969 -0.56 . . . . 1.68 110.376 178.642 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 121.16 169.81 13.85 Favored Glycine 0 N--CA 1.443 -0.872 0 C-N-CA 120.826 -0.702 . . . . 0.55 111.899 -177.326 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -49.78 -62.35 0.43 Allowed 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 123.812 3.008 . . . . 0.72 113.257 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.463 ' CD1' ' HG2' ' A' ' 9' ' ' GLN . 0.2 OUTLIER -54.11 -26.8 29.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.369 -0.832 . . . . 2.6 112.255 -178.744 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.463 ' HG2' ' CD1' ' A' ' 8' ' ' TRP . 14.7 mm-40 -82.36 -73.86 0.37 Allowed 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.047 -0.524 . . . . 2.02 109.627 178.321 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 39.28 59.13 1.79 Allowed 'General case' 0 C--O 1.235 0.305 0 O-C-N 123.868 0.73 . . . . 1.86 112.315 -177.317 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.468 ' HB2' ' C ' ' A' ' 3' ' ' GLY . 1.4 m-20 -75.04 69.78 1.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.507 -0.77 . . . . 2.14 109.646 174.34 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -53.66 -50.38 65.9 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.541 -1.209 . . . . 2.02 111.412 -176.412 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.401 ' O ' ' HB3' ' A' ' 16' ' ' HIS . 24.5 tp -66.73 -33.68 76.16 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.321 -0.854 . . . . 0.54 111.918 -175.587 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -37.56 77.75 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.681 -0.488 . . . . 1.82 109.681 179.551 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.42 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 67.6 m -71.04 -37.23 72.56 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 109.932 -0.396 . . . . 1.33 109.932 174.415 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.71 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 31.6 t60 -54.68 -57.96 9.42 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.615 -0.513 . . . . 0.37 109.615 171.059 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -59.3 -30.57 68.43 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.2 -0.909 . . . . 0.54 111.924 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.436 ' CE1' HD11 ' A' ' 22' ' ' ILE . 16.8 t60 -64.4 -49.7 70.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.713 0.292 . . . . 0.46 110.333 174.213 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.628 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 37.8 m -65.4 -30.7 71.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.366 -0.379 . . . . 0.43 110.633 -179.073 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.71 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 27.7 mmmt -55.63 -39.73 71.23 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.207 0.527 . . . . 0.98 110.7 178.044 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.5 m -82.28 -2.66 53.35 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.587 -0.733 . . . . 1.35 111.567 -176.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.551 HG22 ' HG2' ' A' ' 23' ' ' LYS . 39.0 mt -96.23 136.3 27.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.761 -0.459 . . . . 0.41 109.761 176.604 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.551 ' HG2' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER 10.88 -93.76 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.019 0 O-C-N 125.123 1.515 . . . . 1.92 114.319 -174.056 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.03 31.2 2.95 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.734 -0.746 . . . . 0.5 112.228 -178.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.628 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 13.3 m-30 -67.08 141.32 57.52 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.99 0.424 . . . . 0.72 110.528 178.809 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -87.17 -41.79 13.49 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.654 -0.703 . . . . 1.74 111.44 -174.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -160.62 -178.98 35.08 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.353 -0.927 . . . . 0.25 112.22 -178.729 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.476 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -156.83 151.65 23.03 Favored Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 111.732 -0.547 . . . . 0.35 111.732 -178.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.0 p90 -162.65 157.86 22.44 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.839 0.32 . . . . 0.89 110.675 -175.65 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.517 ' CB ' ' HA2' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -74.58 119.73 19.18 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.974 -0.75 . . . . 0.58 108.974 176.442 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.502 ' HB3' HG13 ' A' ' 36' ' ' VAL . . . -87.34 -49.74 7.04 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.131 0.419 . . . . 0.42 112.131 -172.551 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -117.73 79.45 1.36 Allowed 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.104 0.409 . . . . 2.82 112.104 -174.653 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.26 27.55 51.87 Favored Glycine 0 C--O 1.227 -0.301 0 C-N-CA 121.086 -0.578 . . . . 1.69 113.174 169.086 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.517 ' HA2' ' CB ' ' A' ' 30' ' ' CYS . . . 78.87 14.54 81.91 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.465 -0.874 . . . . 0.89 112.959 179.419 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -94.61 -74.06 0.56 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.241 0.543 . . . . 1.09 111.482 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.502 HG13 ' HB3' ' A' ' 31' ' ' ALA . 2.1 p -81.32 134.37 27.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.753 -0.658 . . . . 0.79 111.071 -178.651 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.42 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 66.5 m -106.55 101.35 10.81 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.553 0.692 . . . . 1.27 109.854 176.58 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.494 ' HG2' ' N ' ' A' ' 39' ' ' CYS . 38.9 tttp -82.62 160.5 22.46 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.775 -1.102 . . . . 1.49 109.931 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.494 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 29.9 m -131.91 152.64 50.93 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.969 -0.752 . . . . 0.36 108.969 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 31.8 p90 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 119.117 -0.468 . . . . 1.15 110.397 -179.948 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.507 ' HA2' ' HA ' ' A' ' 5' ' ' ASN . . . . . . . . 0 N--CA 1.483 1.813 0 N-CA-C 112.304 -0.318 . . . . 2.12 112.304 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 58.76 51.9 7.18 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 123.144 0.577 . . . . 1.01 112.012 176.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.481 ' HA3' ' HB3' ' A' ' 14' ' ' LYS . . . 84.48 -36.42 2.95 Favored Glycine 0 N--CA 1.452 -0.238 0 CA-C-N 115.809 -0.632 . . . . 0.89 113.595 173.35 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.85 ' SG ' ' HG2' ' A' ' 10' ' ' GLU . 13.3 t -76.69 -57.46 3.84 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.053 -0.721 . . . . 1.67 109.053 177.457 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.507 ' HA ' ' HA2' ' A' ' 1' ' ' GLY . 26.9 m120 69.78 -46.12 0.59 Allowed 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.872 1.064 . . . . 1.68 113.872 169.381 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 174.96 -177.94 46.86 Favored Glycine 0 N--CA 1.442 -0.935 0 N-CA-C 111.646 -0.581 . . . . 0.55 111.646 -176.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -61.51 -34.22 86.04 Favored 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.823 2.349 . . . . 0.72 112.818 -175.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 2.1 m95 -56.75 -42.65 79.69 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.253 -0.885 . . . . 2.6 110.955 -174.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -105.83 -75.76 0.62 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.724 -0.671 . . . . 2.02 110.281 179.553 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.85 ' HG2' ' SG ' ' A' ' 4' ' ' CYS . 1.4 tm-20 58.13 74.98 0.4 Allowed 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 123.805 0.691 . . . . 1.86 112.091 176.183 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.51 ' H ' ' HA ' ' A' ' 4' ' ' CYS . 8.5 m-20 -97.42 99.21 10.64 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.61 -0.723 . . . . 2.14 109.355 170.42 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -60.2 -40.19 89.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.778 -0.646 . . . . 2.02 111.328 -175.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.7 tp -64.87 -30.61 71.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.276 -0.42 . . . . 0.54 111.156 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.481 ' HB3' ' HA3' ' A' ' 3' ' ' GLY . 25.3 mmmt -63.04 -44.22 96.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.975 0.417 . . . . 1.82 110.058 175.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.8 t -62.71 -47.38 83.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.667 -0.697 . . . . 1.33 109.446 175.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.728 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 47.6 t60 -51.97 -55.11 22.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.418 -0.81 . . . . 0.37 110.285 175.306 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -58.06 -37.03 73.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.465 -0.789 . . . . 0.54 112.375 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -60.31 -45.96 91.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.983 0.42 . . . . 0.46 110.323 177.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.53 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 23.7 m -69.83 -25.53 63.79 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.936 -0.575 . . . . 0.43 110.821 -178.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.728 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 27.8 mmmt -63.65 -31.33 72.47 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.21 0.528 . . . . 0.98 110.547 179.091 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.1 m -82.35 -6.54 59.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.667 -0.697 . . . . 1.35 111.2 -178.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.421 HG22 ' HG2' ' A' ' 23' ' ' LYS . 27.3 mt -96.98 144.67 10.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.898 -0.408 . . . . 0.41 109.898 179.448 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.421 ' HG2' HG22 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -6.32 -92.47 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 115.196 1.554 . . . . 1.92 115.196 -174.766 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -126.4 30.68 4.21 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.706 -0.759 . . . . 0.5 112.335 -176.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.53 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 8.5 m-30 -73.14 135.07 44.65 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.078 0.466 . . . . 0.72 109.86 177.587 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -82.12 -47.33 12.68 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.65 -0.704 . . . . 1.74 111.016 -174.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -158.24 -176.13 29.95 Favored Glycine 0 N--CA 1.44 -1.056 0 C-N-CA 120.58 -0.819 . . . . 0.25 111.541 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.49 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -148.04 149.94 22.08 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.5 -0.857 . . . . 0.35 112.103 -178.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.58 ' CE2' ' HD2' ' A' ' 38' ' ' LYS . 25.9 p90 -146.44 150.17 35.1 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.087 0.47 . . . . 0.89 110.28 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.41 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 3.4 m -75.06 118.86 18.47 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 109.064 -0.717 . . . . 0.58 109.064 177.364 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.475 ' HB3' HG13 ' A' ' 36' ' ' VAL . . . -84.47 -46.74 11.34 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.036 0.384 . . . . 0.42 112.036 -172.319 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -121.89 70.47 0.96 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 111.941 0.349 . . . . 2.82 111.941 -174.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 73.49 45.68 28.54 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.77 -0.729 . . . . 1.69 112.665 171.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.834 ' HA2' ' SG ' ' A' ' 4' ' ' CYS . . . 82.41 -31.6 2.92 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.964 -0.636 . . . . 0.89 113.717 176.674 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -54.63 -67.44 0.27 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.51 0.559 . . . . 1.09 112.51 -174.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.475 HG13 ' HB3' ' A' ' 31' ' ' ALA . 2.1 p -91.85 131.52 38.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 121.321 0.581 . . . . 0.79 112.162 -173.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.5 t -97.21 97.69 9.38 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.875 -1.057 . . . . 1.27 109.943 178.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.58 ' HD2' ' CE2' ' A' ' 29' ' ' TYR . 9.3 tmtm? -90.29 143.85 26.38 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.905 -0.589 . . . . 1.49 110.106 179.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.406 ' N ' ' HD3' ' A' ' 38' ' ' LYS . 35.9 m -123.74 156.86 35.23 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.013 -0.54 . . . . 0.36 110.287 -174.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 13.5 p90 . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.341 -0.838 . . . . 1.15 110.449 179.056 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.727 0 N-CA-C 111.589 -0.605 . . . . 2.12 111.589 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -123.48 2.97 9.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.902 0.382 . . . . 1.01 111.098 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 170.59 -79.65 0.09 OUTLIER Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.618 -0.801 . . . . 0.89 112.139 -177.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.416 ' O ' ' HB2' ' A' ' 5' ' ' ASN . 39.1 m -55.91 -54.84 39.76 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 111.452 0.167 . . . . 1.67 111.452 -177.113 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' A' ' 4' ' ' CYS . 32.2 m-80 71.11 -50.31 0.68 Allowed 'General case' 0 C--N 1.342 0.249 0 C-N-CA 123.751 0.82 . . . . 1.68 112.649 176.09 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -178.24 151.67 10.83 Favored Glycine 0 N--CA 1.44 -1.098 0 N-CA-C 111.04 -0.824 . . . . 0.55 111.04 -177.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -41.21 -38.69 3.47 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 124.532 3.488 . . . . 0.72 114.169 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -53.74 -42.83 68.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.491 -0.777 . . . . 2.6 111.168 -175.713 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.448 ' HG3' ' H ' ' A' ' 10' ' ' GLU . 6.9 pt20 -108.98 -56.6 2.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.769 -0.65 . . . . 2.02 110.419 -179.254 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.448 ' H ' ' HG3' ' A' ' 9' ' ' GLN . 7.7 tt0 50.95 61.6 3.16 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.77 -0.65 . . . . 1.86 111.886 175.151 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.492 ' HB3' ' HB2' ' A' ' 14' ' ' LYS . 14.4 m-20 -72.21 90.2 1.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 2.14 110.346 178.125 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -63.91 -55.26 23.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.514 -0.767 . . . . 2.02 111.827 -174.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 45.1 tp -68.03 -30.5 69.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.407 -0.36 . . . . 0.54 111.081 -175.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.492 ' HB2' ' HB3' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -67.45 -35.2 78.74 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.771 -0.455 . . . . 1.82 109.771 177.92 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 52.7 t -65.63 -46.72 78.15 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.148 -0.686 . . . . 1.33 109.148 173.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.717 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 58.0 t60 -53.23 -52.48 58.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.197 -0.91 . . . . 0.37 110.297 175.031 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -61.83 -32.17 72.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.637 -0.71 . . . . 0.54 112.462 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.487 ' CE1' HD11 ' A' ' 22' ' ' ILE . 16.2 t60 -61.11 -47.17 87.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.045 0.45 . . . . 0.46 109.841 175.672 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.533 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 34.9 m -69.64 -27.46 65.07 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.893 -0.594 . . . . 0.43 110.797 -178.613 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.717 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 1.9 mmmp? -61.83 -30.89 71.14 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 121.391 0.615 . . . . 0.98 110.283 177.389 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.1 m -89.67 2.95 54.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.277 -0.874 . . . . 1.35 111.253 -175.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.619 HG22 ' HG2' ' A' ' 23' ' ' LYS . 31.0 mt -105.23 135.84 41.62 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 CA-C-N 116.414 -0.357 . . . . 0.41 110.091 175.52 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.619 ' HG2' HG22 ' A' ' 22' ' ' ILE . 1.6 ptpp? 7.87 -100.09 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.061 0 O-C-N 125.186 1.554 . . . . 1.92 114.624 -174.628 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.24 30.24 4.82 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.759 -0.734 . . . . 0.5 112.414 -177.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.533 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 12.1 m-30 -65.7 149.97 49.26 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.122 0.487 . . . . 0.72 110.349 177.748 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.501 ' HB3' ' OXT' ' A' ' 40' ' ' TYR . 58.5 tttp -89.53 -49.18 6.83 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.76 -0.655 . . . . 1.74 110.72 -175.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -163.89 -172.72 31.72 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.326 -0.94 . . . . 0.25 112.422 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.455 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -145.93 156.6 27.05 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 121.138 -0.554 . . . . 0.35 111.806 179.37 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.473 ' CE2' ' HD3' ' A' ' 38' ' ' LYS . 13.9 p90 -157.78 161.94 38.46 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.16 0.505 . . . . 0.89 110.884 -177.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.487 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 3.6 m -82.97 108.78 16.53 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.679 -0.691 . . . . 0.58 110.043 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.47 ' HB3' ' CG2' ' A' ' 36' ' ' VAL . . . -80.17 -62.04 1.8 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.34 0.59 . . . . 0.42 111.159 -176.536 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.674 ' HB3' HG13 ' A' ' 36' ' ' VAL . 51.3 tptt -88.27 54.21 2.99 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.907 -0.588 . . . . 2.82 111.193 -175.081 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.76 34.23 86.68 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.974 -0.631 . . . . 1.69 113.122 171.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.487 ' HA2' ' HB3' ' A' ' 30' ' ' CYS . . . 100.04 -26.97 22.46 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.481 -0.866 . . . . 0.89 113.117 177.344 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -67.67 -19.59 65.2 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.259 0.466 . . . . 1.09 112.259 -174.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.674 HG13 ' HB3' ' A' ' 32' ' ' LYS . 1.3 m -126.99 161.94 32.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.538 -0.465 . . . . 0.79 110.483 -179.048 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 40.6 t -124.47 98.8 5.9 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.932 -0.766 . . . . 1.27 108.932 175.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.598 ' HG2' ' N ' ' A' ' 39' ' ' CYS . 45.6 tttp -94.71 160.83 14.44 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.368 -0.378 . . . . 1.49 110.228 -178.289 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.598 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 62.4 m -126.15 158.93 34.27 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.89 -0.411 . . . . 0.36 109.89 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.501 ' OXT' ' HB3' ' A' ' 26' ' ' LYS . 34.0 p90 . . . . . 0 C--O 1.248 0.979 0 N-CA-C 109.138 -0.69 . . . . 1.15 109.138 176.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.755 0 N-CA-C 112.172 -0.371 . . . . 2.12 112.172 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -132.78 65.21 1.59 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.321 0.582 . . . . 1.01 110.385 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 102.33 -57.7 0.61 Allowed Glycine 0 N--CA 1.444 -0.806 0 CA-C-N 115.561 -0.745 . . . . 0.89 111.416 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.6 m -70.74 103.69 2.65 Favored 'General case' 0 N--CA 1.441 -0.906 0 N-CA-C 109.874 -0.417 . . . . 1.67 109.874 177.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.533 ' H ' ' HB2' ' A' ' 9' ' ' GLN . 79.3 m-20 -117.62 38.24 3.67 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.449 0.642 . . . . 1.68 109.888 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 120.11 162.27 11.8 Favored Glycine 0 N--CA 1.441 -0.998 0 N-CA-C 110.8 -0.92 . . . . 0.55 110.8 -174.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.56 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 2.9 Cg_endo -49.77 -34.58 36.38 Favored 'Trans proline' 0 CA--C 1.528 0.212 0 C-N-CA 123.427 2.752 . . . . 0.72 113.149 179.549 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 3.0 m95 -82.85 -15.62 50.81 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.842 -0.617 . . . . 2.6 111.329 -174.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.533 ' HB2' ' H ' ' A' ' 5' ' ' ASN . 4.4 mt-30 -108.18 -2.4 19.44 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.22 -0.445 . . . . 2.02 110.107 -176.449 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.502 ' HG2' ' SG ' ' A' ' 30' ' ' CYS . 0.3 OUTLIER -41.56 115.71 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.629 -1.168 . . . . 1.86 111.761 177.784 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -137.19 116.64 12.79 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.887 -0.597 . . . . 2.14 109.805 177.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -63.9 -44.78 91.93 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.764 -1.107 . . . . 2.02 111.627 -176.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.0 tp -72.79 -36.41 67.58 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 111.974 0.361 . . . . 0.54 111.974 -172.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -60.15 -45.92 91.42 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.799 0.333 . . . . 1.82 110.527 177.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.1 t -67.91 -40.41 83.4 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.508 -0.553 . . . . 1.33 109.508 177.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.716 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 49.6 t60 -55.34 -53.3 57.93 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 115.821 -0.627 . . . . 0.37 110.031 175.706 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 58.2 m-20 -56.48 -37.78 70.83 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.097 -0.956 . . . . 0.54 111.98 -179.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -60.53 -47.22 87.12 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.098 0.475 . . . . 0.46 110.767 176.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.44 ' SG ' ' HA3' ' A' ' 28' ' ' GLY . 30.9 m -69.98 -17.15 63.28 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.866 -0.606 . . . . 0.43 111.092 -176.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.716 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 28.1 mmmt -71.21 -24.6 62.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.102 0.477 . . . . 0.98 110.54 -179.398 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.0 t -86.32 -11.96 50.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.856 -0.611 . . . . 1.35 110.373 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.69 HG22 ' HG2' ' A' ' 23' ' ' LYS . 21.6 mt -97.44 139.49 19.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.541 -0.3 . . . . 0.41 110.402 -178.084 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.69 ' HG2' HG22 ' A' ' 22' ' ' ILE . 4.2 ptmm? -1.31 -95.73 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 115.332 1.604 . . . . 1.92 115.332 -172.267 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.11 20.27 7.14 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.565 -0.826 . . . . 0.5 112.53 -175.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.425 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 12.4 m-30 -61.82 124.66 21.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.112 0.482 . . . . 0.72 109.756 177.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -67.57 -45.76 74.66 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.519 -0.764 . . . . 1.74 110.805 -175.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -166.15 -166.36 25.05 Favored Glycine 0 N--CA 1.438 -1.211 0 CA-C-N 115.42 -0.809 . . . . 0.25 111.314 -178.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.529 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -154.0 171.77 32.66 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.376 -0.916 . . . . 0.35 112.546 -177.728 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -169.07 157.09 7.6 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.631 -0.507 . . . . 0.89 109.631 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.528 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 5.6 m -75.25 109.32 8.66 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.867 -0.79 . . . . 0.58 108.867 177.219 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.454 ' HB3' HG13 ' A' ' 36' ' ' VAL . . . -68.8 -44.18 74.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.42 111.844 -169.52 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -127.72 82.96 2.12 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.26 -0.427 . . . . 2.82 110.981 -175.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.56 ' O ' ' HA ' ' A' ' 7' ' ' PRO . . . 86.97 -53.54 4.5 Favored Glycine 0 N--CA 1.452 -0.3 0 CA-C-N 115.894 -0.593 . . . . 1.69 112.371 170.547 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.528 ' HA2' ' HB3' ' A' ' 30' ' ' CYS . . . 159.7 31.7 0.02 OUTLIER Glycine 0 C--O 1.22 -0.752 0 C-N-CA 121.035 -0.602 . . . . 0.89 112.037 179.639 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -109.48 -59.73 1.87 Allowed 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 121.32 0.581 . . . . 1.09 110.577 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.454 HG13 ' HB3' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -88.2 130.1 38.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 115.327 -0.852 . . . . 0.79 111.286 -175.85 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 47.6 t -95.1 91.66 6.44 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.36 -0.836 . . . . 1.27 108.927 177.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -82.47 142.1 32.17 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.365 -0.834 . . . . 1.49 110.494 -178.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 57.2 m -124.84 157.86 34.85 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.489 -0.778 . . . . 0.36 109.31 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.246 0.871 0 CA-C-O 119.063 -0.494 . . . . 1.15 110.857 178.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.614 0 N-CA-C 111.98 -0.448 . . . . 2.12 111.98 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -132.28 14.21 4.62 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.777 0.322 . . . . 1.01 111.205 -177.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.418 ' O ' ' HB2' ' A' ' 11' ' ' ASP . . . 157.4 -59.48 0.35 Allowed Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.06 -1.067 . . . . 0.89 112.798 179.558 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 47.9 m -57.36 -62.82 1.5 Allowed 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 122.135 0.174 . . . . 1.67 111.01 -178.081 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 57.46 44.69 20.94 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.307 0.484 . . . . 1.68 112.307 175.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 86.25 152.75 21.16 Favored Glycine 0 N--CA 1.444 -0.819 0 C-N-CA 120.727 -0.749 . . . . 0.55 112.801 175.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -47.86 -32.34 17.19 Favored 'Trans proline' 0 CA--C 1.53 0.3 0 C-N-CA 124.397 3.398 . . . . 0.72 114.028 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -48.97 -48.37 43.3 Favored 'General case' 0 CA--C 1.521 -0.172 0 C-N-CA 123.696 0.798 . . . . 2.6 110.392 -176.127 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -109.57 -54.78 2.51 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.069 -0.969 . . . . 2.02 110.384 179.25 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 48.08 58.16 5.38 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 123.748 0.655 . . . . 1.86 111.198 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.475 ' HB3' ' HB2' ' A' ' 14' ' ' LYS . 21.4 m-20 -72.7 93.02 1.59 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.88 -0.6 . . . . 2.14 110.659 -178.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -56.88 -54.23 48.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.665 -1.152 . . . . 2.02 112.165 -176.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 25.8 tp -66.39 -30.02 70.3 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.346 -0.388 . . . . 0.54 111.125 -175.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.475 ' HB2' ' HB3' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -64.02 -39.87 95.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.704 0.287 . . . . 1.82 110.357 177.647 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.2 t -63.57 -45.84 88.65 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.302 -0.629 . . . . 1.33 109.302 175.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.697 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 45.3 t60 -54.56 -53.8 49.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.403 -0.817 . . . . 0.37 110.29 175.263 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -60.86 -31.32 70.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.455 -0.793 . . . . 0.54 112.48 -178.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.452 ' CE1' HD11 ' A' ' 22' ' ' ILE . 7.5 t60 -62.67 -48.53 78.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.057 0.456 . . . . 0.46 109.986 175.548 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.49 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 36.5 m -67.55 -23.73 65.46 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.721 -0.672 . . . . 0.43 110.794 -178.273 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.697 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 2.0 mmmp? -66.15 -23.67 66.52 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.315 0.579 . . . . 0.98 110.51 178.165 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.5 m -90.61 2.38 55.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.509 -0.769 . . . . 1.35 110.726 -178.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.765 HG22 ' HG2' ' A' ' 23' ' ' LYS . 22.0 mt -108.95 137.51 40.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 116.341 -0.391 . . . . 0.41 110.586 178.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.765 ' HG2' HG22 ' A' ' 22' ' ' ILE . 9.5 ptpt 5.16 -96.65 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.571 1.548 . . . . 1.92 115.031 -175.305 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -126.43 29.59 4.48 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.838 -0.696 . . . . 0.5 112.046 -178.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.49 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 12.8 m-30 -68.54 130.32 42.5 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.236 0.541 . . . . 0.72 110.305 177.542 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.507 ' HB3' ' OXT' ' A' ' 40' ' ' TYR . 50.1 tttp -76.06 -42.04 48.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.326 -0.852 . . . . 1.74 111.169 -174.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -165.48 -173.78 34.38 Favored Glycine 0 N--CA 1.441 -0.98 0 C-N-CA 120.409 -0.9 . . . . 0.25 112.151 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.484 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -149.03 152.47 24.48 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 121.017 -0.611 . . . . 0.35 111.887 -179.183 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.521 ' CE2' ' HD2' ' A' ' 38' ' ' LYS . 15.2 p90 -151.7 154.92 37.27 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.881 0.372 . . . . 0.89 110.417 -178.153 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.463 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 4.3 m -75.17 108.82 8.18 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.821 -0.807 . . . . 0.58 108.821 176.333 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.526 ' HB3' HG13 ' A' ' 36' ' ' VAL . . . -73.25 -47.59 41.85 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.105 0.409 . . . . 0.42 112.105 -170.28 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 43.3 mmtm -134.74 82.77 1.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.006 0.432 . . . . 2.82 111.893 -175.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.98 29.97 21.66 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.589 -0.815 . . . . 1.69 113.851 165.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.463 ' HA2' ' HB3' ' A' ' 30' ' ' CYS . . . 73.29 9.8 77.73 Favored Glycine 0 C--O 1.225 -0.406 0 C-N-CA 120.519 -0.848 . . . . 0.89 113.016 178.096 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -94.47 -63.69 1.15 Allowed 'General case' 0 C--N 1.32 -0.677 0 O-C-N 122.372 -0.487 . . . . 1.09 111.342 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.526 HG13 ' HB3' ' A' ' 31' ' ' ALA . 1.4 p -87.58 130.13 37.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.219 0.533 . . . . 0.79 111.744 -174.421 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.2 t -97.14 93.68 6.7 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.161 -0.927 . . . . 1.27 109.188 178.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.521 ' HD2' ' CE2' ' A' ' 29' ' ' TYR . 9.4 tmtm? -92.08 142.77 27.15 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.715 -0.675 . . . . 1.49 110.227 -177.149 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 27.4 m -118.71 154.65 32.41 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.852 -0.613 . . . . 0.36 110.499 -176.2 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.507 ' OXT' ' HB3' ' A' ' 26' ' ' LYS . 5.4 p90 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.362 -0.828 . . . . 1.15 110.198 178.074 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.555 ' HA2' ' OD1' ' A' ' 5' ' ' ASN . . . . . . . . 0 N--CA 1.48 1.598 0 N-CA-C 112.199 -0.36 . . . . 2.12 112.199 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 62.91 38.15 11.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.266 0.555 . . . . 1.01 111.696 175.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.426 ' HA3' ' HB3' ' A' ' 14' ' ' LYS . . . 75.84 37.89 37.84 Favored Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 115.541 -0.754 . . . . 0.89 113.419 174.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.832 ' SG ' ' HA2' ' A' ' 34' ' ' GLY . 7.7 t -138.61 -70.47 0.42 Allowed 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.556 -0.458 . . . . 1.67 110.159 174.55 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.555 ' OD1' ' HA2' ' A' ' 1' ' ' GLY . 87.0 m-20 51.09 44.85 28.47 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 113.238 0.829 . . . . 1.68 113.238 173.658 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 91.91 160.51 36.18 Favored Glycine 0 N--CA 1.442 -0.923 0 C-N-CA 120.439 -0.886 . . . . 0.55 112.273 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -46.04 -33.08 10.72 Favored 'Trans proline' 0 CA--C 1.53 0.32 0 C-N-CA 124.145 3.23 . . . . 0.72 113.76 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 4.5 m95 -64.95 -37.94 89.33 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.82 -0.627 . . . . 2.6 111.728 -173.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.37 -9.01 13.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.702 -0.226 . . . . 2.02 111.158 -175.5 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.585 ' HG2' ' SG ' ' A' ' 4' ' ' CYS . 1.4 tm-20 -36.67 102.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 124.566 1.146 . . . . 1.86 112.385 177.332 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -95.75 -11.9 26.24 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.021 -0.536 . . . . 2.14 111.274 -178.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.5 t70 66.34 -74.75 0.06 Allowed 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 123.584 0.754 . . . . 2.02 112.473 -177.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.8 tp -59.45 -35.3 73.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.046 -0.525 . . . . 0.54 111.802 -174.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.426 ' HB3' ' HA3' ' A' ' 3' ' ' GLY . 2.9 mmmm -57.61 -37.22 72.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.83 0.348 . . . . 1.82 110.857 178.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 50.7 t -70.57 -41.85 71.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.242 0.544 . . . . 1.33 109.639 178.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.678 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 55.9 t60 -57.01 -49.3 76.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.602 -0.726 . . . . 0.37 109.862 174.338 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -60.61 -32.36 71.49 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.227 -0.897 . . . . 0.54 111.986 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.464 ' CE1' HD11 ' A' ' 22' ' ' ILE . 7.6 t60 -60.99 -48.38 82.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.027 0.441 . . . . 0.46 110.477 177.657 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.471 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 33.8 m -73.33 -15.86 61.38 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.011 -0.541 . . . . 0.43 111.31 -175.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.678 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 1.4 mmmp? -69.46 -26.38 64.55 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.385 0.612 . . . . 0.98 109.984 177.56 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.3 t -88.14 -3.71 58.84 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.443 -0.799 . . . . 1.35 110.397 -177.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.56 HG22 ' HG2' ' A' ' 23' ' ' LYS . 37.9 mt -98.85 143.57 13.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.104 -0.498 . . . . 0.41 110.114 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.56 ' HG2' HG22 ' A' ' 22' ' ' ILE . 1.6 ptpp? -4.76 -95.63 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 115.208 1.559 . . . . 1.92 115.208 -174.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -125.82 28.35 4.94 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.484 -0.865 . . . . 0.5 112.104 -177.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.471 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 10.6 m-30 -65.86 143.76 57.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.877 0.37 . . . . 0.72 110.381 178.172 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -82.02 -41.95 19.98 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.807 -0.633 . . . . 1.74 110.93 -176.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -172.9 -170.01 36.1 Favored Glycine 0 N--CA 1.442 -0.925 0 C-N-CA 120.807 -0.711 . . . . 0.25 111.42 -178.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.554 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -150.53 162.54 29.34 Favored Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.762 -0.732 . . . . 0.35 111.864 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -164.62 151.52 11.14 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.092 0.472 . . . . 0.89 110.162 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.507 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 38.0 m -76.23 106.19 7.71 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.16 -0.682 . . . . 0.58 109.16 177.79 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.73 -39.23 73.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.189 -0.46 . . . . 0.42 111.541 -169.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -122.55 72.5 1.07 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.292 -0.413 . . . . 2.82 111.262 -178.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.2 -38.98 2.04 Favored Glycine 0 C--O 1.228 -0.258 0 C-N-CA 121.155 -0.545 . . . . 1.69 113.159 171.511 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.832 ' HA2' ' SG ' ' A' ' 4' ' ' CYS . . . 160.57 -12.26 0.16 Allowed Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 121.024 -0.608 . . . . 0.89 112.172 -179.22 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -63.07 -38.39 91.0 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 120.948 0.404 . . . . 1.09 111.344 -178.055 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.507 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 1.2 p -122.98 127.3 74.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.151 0.501 . . . . 0.79 111.736 -175.448 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.4 t -96.46 90.37 5.36 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.2 -0.909 . . . . 1.27 108.806 174.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.6 ' HG2' ' N ' ' A' ' 39' ' ' CYS . 70.9 tttt -87.6 162.4 17.18 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.404 -0.816 . . . . 1.49 110.476 -176.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.6 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 59.7 m -125.16 156.95 37.58 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.996 -0.547 . . . . 0.36 109.607 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 29.7 p90 . . . . . 0 C--O 1.246 0.869 0 CA-C-O 118.942 -0.552 . . . . 1.15 110.098 179.16 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.789 0 N-CA-C 111.714 -0.554 . . . . 2.12 111.714 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 69.15 14.05 8.68 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.481 0.712 . . . . 1.01 111.649 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 151.51 -72.47 0.28 Allowed Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.502 -0.856 . . . . 0.89 112.434 -179.244 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.596 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 8.0 m -79.49 91.92 5.2 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-O 121.25 0.547 . . . . 1.67 109.76 177.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.413 ' HB2' ' HG3' ' A' ' 9' ' ' GLN . 5.0 m120 -88.71 32.35 0.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 1.68 110.129 179.248 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 134.99 156.0 7.57 Favored Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 111.325 -0.71 . . . . 0.55 111.325 -176.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -42.04 -46.47 7.03 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 124.043 3.162 . . . . 0.72 113.116 175.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -59.01 -35.46 73.3 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.995 -1.002 . . . . 2.6 110.876 -177.57 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.413 ' HG3' ' HB2' ' A' ' 5' ' ' ASN . 17.6 mm-40 -77.97 -68.66 0.61 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.273 -0.876 . . . . 2.02 110.035 -178.169 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.544 ' HG2' ' SG ' ' A' ' 30' ' ' CYS . 1.7 tm-20 40.65 88.75 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 O-C-N 124.588 1.18 . . . . 1.86 112.448 175.748 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -122.79 102.03 7.8 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.324 0.583 . . . . 2.14 110.366 -178.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -52.56 -47.52 66.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.682 -1.145 . . . . 2.02 111.808 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.7 tp -72.41 -35.3 68.34 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.213 0.449 . . . . 0.54 112.213 -171.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.4 mmmm -63.03 -44.68 95.25 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.737 -0.385 . . . . 1.82 110.779 177.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.596 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 62.1 m -66.91 -39.72 87.49 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 121.182 0.515 . . . . 1.33 109.692 175.745 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.715 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 58.9 t60 -55.09 -56.62 17.82 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.288 -0.869 . . . . 0.37 109.84 175.17 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -57.94 -38.64 76.33 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.112 -0.949 . . . . 0.54 112.017 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.508 ' CE1' HD11 ' A' ' 22' ' ' ILE . 7.9 t60 -55.9 -44.73 78.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.912 0.386 . . . . 0.46 110.366 176.209 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.419 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 35.2 m -75.87 -23.57 55.64 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.862 -0.608 . . . . 0.43 110.991 -178.099 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.715 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 27.9 mmmt -66.36 -32.78 74.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.37 0.605 . . . . 0.98 109.779 177.245 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.2 t -80.77 -4.37 54.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.231 -0.895 . . . . 1.35 110.534 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.69 HG22 ' HG2' ' A' ' 23' ' ' LYS . 43.2 mt -98.76 146.91 7.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 N-CA-C 109.702 -0.481 . . . . 0.41 109.702 177.394 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.69 ' HG2' HG22 ' A' ' 22' ' ' ILE . 5.5 ptmt -8.58 -93.3 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 115.407 1.632 . . . . 1.92 115.407 -173.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.26 26.7 4.12 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.382 -0.913 . . . . 0.5 112.464 -176.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.435 ' CE2' HG21 ' A' ' 22' ' ' ILE . 12.4 m-30 -61.9 153.89 27.78 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.999 0.428 . . . . 0.72 110.724 177.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.465 ' HB3' ' O ' ' A' ' 40' ' ' TYR . 54.1 tttp -89.52 -53.46 4.52 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.963 -0.562 . . . . 1.74 110.514 -177.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -160.08 -171.96 26.67 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.565 -0.826 . . . . 0.25 112.301 -179.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.585 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -154.78 162.98 31.09 Favored Glycine 0 C--O 1.227 -0.29 0 C-N-CA 120.22 -0.99 . . . . 0.35 113.147 -178.568 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.572 ' CE2' ' HD3' ' A' ' 38' ' ' LYS . 6.8 p90 -161.78 163.34 29.57 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.116 -0.327 . . . . 0.89 110.116 -178.166 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.686 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -76.68 101.14 5.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.816 0.341 . . . . 0.58 110.225 -178.472 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.498 ' HB3' ' CG2' ' A' ' 36' ' ' VAL . . . -65.98 -55.34 17.27 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 112.278 0.473 . . . . 0.42 112.278 -175.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -82.39 55.2 2.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.26 -0.427 . . . . 2.82 111.527 -176.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.57 -50.25 3.78 Favored Glycine 0 N--CA 1.45 -0.375 0 N-CA-C 111.9 -0.48 . . . . 1.69 111.9 178.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.537 ' HA2' ' CB ' ' A' ' 30' ' ' CYS . . . -177.85 23.63 0.05 OUTLIER Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 121.066 -0.588 . . . . 0.89 112.567 178.353 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -101.64 -54.85 2.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 117.532 0.666 . . . . 1.09 112.403 -176.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.686 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 1.4 m -99.85 152.18 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 C-N-CA 120.834 -0.346 . . . . 0.79 111.069 -174.075 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.3 m -99.43 88.21 3.82 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.027 -0.533 . . . . 1.27 109.808 172.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.595 ' HG2' ' N ' ' A' ' 39' ' ' CYS . 36.5 tttp -76.14 159.75 30.41 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.032 -0.729 . . . . 1.49 109.032 177.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.595 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 61.4 m -129.1 158.03 40.08 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 120.807 0.337 . . . . 0.36 110.222 -175.27 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.465 ' O ' ' HB3' ' A' ' 26' ' ' LYS . 25.1 p90 . . . . . 0 C--N 1.316 -0.876 0 CA-C-O 117.777 -1.106 . . . . 1.15 109.034 176.145 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.727 0 N-CA-C 112.085 -0.406 . . . . 2.12 112.085 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 66.74 12.69 9.0 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.53 0.732 . . . . 1.01 111.645 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 157.95 -75.67 0.21 Allowed Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 111.553 -0.619 . . . . 0.89 111.553 -176.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.3 m -67.31 95.23 0.42 Allowed 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 120.931 0.396 . . . . 1.67 110.754 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.513 ' O ' ' HG3' ' A' ' 9' ' ' GLN . 28.3 m-80 -96.28 53.18 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.214 0.531 . . . . 1.68 110.656 179.346 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 92.89 158.16 34.11 Favored Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 120.594 -0.812 . . . . 0.55 111.207 -176.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -46.43 -40.84 23.14 Favored 'Trans proline' 0 CA--C 1.528 0.2 0 C-N-CA 124.047 3.165 . . . . 0.72 113.345 178.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -56.42 -31.19 63.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.746 -0.661 . . . . 2.6 110.722 -177.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.513 ' HG3' ' O ' ' A' ' 5' ' ' ASN . 5.6 mm-40 -99.29 -63.45 1.12 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.169 -0.923 . . . . 2.02 109.592 -178.564 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 44.2 52.89 6.92 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 114.581 -1.191 . . . . 1.86 110.973 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.449 ' OD1' ' HB3' ' A' ' 9' ' ' GLN . 10.1 m-20 -71.6 87.73 0.93 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.588 -0.733 . . . . 2.14 110.652 -178.391 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -62.29 -58.63 7.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.379 -0.828 . . . . 2.02 112.381 -174.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 37.7 tp -72.49 -31.39 65.33 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.536 -0.302 . . . . 0.54 111.039 -174.08 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -42.13 97.72 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.205 -0.665 . . . . 1.82 109.205 178.158 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.5 t -62.79 -44.02 97.26 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.524 -0.762 . . . . 1.33 110.357 175.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.648 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 48.1 t60 -58.97 -49.36 78.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.466 -0.788 . . . . 0.37 110.355 175.577 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.406 ' HA ' ' CG ' ' A' ' 20' ' ' LYS . 80.4 m-20 -58.83 -30.35 67.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.745 -0.661 . . . . 0.54 112.474 179.328 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.446 ' CE1' HD11 ' A' ' 22' ' ' ILE . 3.3 t-80 -59.76 -51.2 70.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.921 0.391 . . . . 0.46 110.487 178.188 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.569 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 36.6 m -80.29 -10.78 59.76 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.127 -0.488 . . . . 0.43 111.742 -175.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.648 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 3.3 mmmp? -62.29 -33.28 74.35 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.089 0.471 . . . . 0.98 110.234 172.693 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.8 m -83.89 -15.54 47.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.829 -0.623 . . . . 1.35 111.437 -176.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.702 HG22 ' HG2' ' A' ' 23' ' ' LYS . 43.3 mt -87.37 142.8 12.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 121.121 -0.232 . . . . 0.41 110.424 -177.265 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.702 ' HG2' HG22 ' A' ' 22' ' ' ILE . 9.3 ptmt -3.76 -96.02 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 125.604 1.562 . . . . 1.92 115.159 -173.352 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -117.43 15.76 12.91 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.376 -0.916 . . . . 0.5 112.53 -175.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.569 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 9.0 m-30 -61.74 130.75 47.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.094 0.473 . . . . 0.72 110.225 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.421 ' HB3' ' O ' ' A' ' 40' ' ' TYR . 50.2 tttp -81.95 -40.08 22.76 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.723 -0.672 . . . . 1.74 110.918 -178.15 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -167.64 -177.12 38.85 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.591 -0.814 . . . . 0.25 111.957 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -155.38 143.73 10.21 Favored Glycine 0 N--CA 1.451 -0.349 0 N-CA-C 111.117 -0.793 . . . . 0.35 111.117 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -142.09 156.07 45.38 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 117.301 0.55 . . . . 0.89 111.537 -174.136 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.484 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 11.9 m -66.12 106.99 1.77 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.48 -0.782 . . . . 0.58 109.214 175.649 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.635 ' HB3' HG13 ' A' ' 36' ' ' VAL . . . -79.75 -42.01 25.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.929 0.395 . . . . 0.42 111.541 -172.119 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.9 mmtm -104.25 56.96 0.72 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.284 0.564 . . . . 2.82 110.515 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.29 -60.58 4.33 Favored Glycine 0 N--CA 1.443 -0.86 0 CA-C-N 115.489 -0.778 . . . . 1.69 112.274 175.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.484 ' HA2' ' HB3' ' A' ' 30' ' ' CYS . . . -168.77 34.46 0.19 Allowed Glycine 0 C--O 1.224 -0.49 0 C-N-CA 120.713 -0.756 . . . . 0.89 112.829 -176.643 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -122.48 -80.05 0.62 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.155 0.502 . . . . 1.09 111.036 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.635 HG13 ' HB3' ' A' ' 31' ' ' ALA . 2.0 p -73.63 136.08 26.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.594 -0.73 . . . . 0.79 111.262 -176.268 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.5 m -103.77 96.48 6.73 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.646 -0.706 . . . . 1.27 110.677 178.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.506 ' HD3' ' N ' ' A' ' 39' ' ' CYS . 1.6 tmtp? -85.28 142.07 29.64 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.846 -0.798 . . . . 1.49 108.846 175.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.506 ' N ' ' HD3' ' A' ' 38' ' ' LYS . 70.8 m -131.42 159.21 38.7 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 116.119 -0.491 . . . . 0.36 111.303 -175.117 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.421 ' O ' ' HB3' ' A' ' 26' ' ' LYS . 1.7 p90 . . . . . 0 C--O 1.243 0.729 0 CA-C-O 118.602 -0.713 . . . . 1.15 110.532 -173.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.765 0 N-CA-C 112.154 -0.378 . . . . 2.12 112.154 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 55.88 23.45 6.54 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.488 0.715 . . . . 1.01 112.844 177.161 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.479 ' HA3' ' HB3' ' A' ' 14' ' ' LYS . . . 127.09 -54.02 0.78 Allowed Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.273 -0.965 . . . . 0.89 113.366 -177.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.478 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 67.6 m -58.2 -51.93 67.7 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 117.056 0.428 . . . . 1.67 110.295 179.084 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 43.83 49.0 7.0 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.971 0.73 . . . . 1.68 112.971 176.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 78.07 174.96 43.82 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.894 -0.669 . . . . 0.55 113.325 177.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.462 ' HD3' ' O ' ' A' ' 33' ' ' GLY . 3.7 Cg_endo -52.82 -30.91 49.29 Favored 'Trans proline' 0 N--CA 1.473 0.27 0 C-N-CA 124.13 3.22 . . . . 0.72 113.706 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -46.88 -41.76 16.34 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 124.03 0.932 . . . . 2.6 110.866 -176.193 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.47 -57.86 1.81 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.353 -0.84 . . . . 2.02 110.236 -178.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 56.36 51.17 11.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.345 0.593 . . . . 1.86 110.488 178.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.426 ' H ' ' HA ' ' A' ' 4' ' ' CYS . 53.1 m-20 -87.76 90.5 8.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.594 -0.73 . . . . 2.14 110.519 179.588 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -59.85 -40.8 89.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.661 -0.7 . . . . 2.02 111.671 -177.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.4 tp -64.01 -32.03 73.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.553 -0.294 . . . . 0.54 111.621 -173.029 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.479 ' HB3' ' HA3' ' A' ' 3' ' ' GLY . 2.5 tppt? -63.11 -43.87 97.25 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.612 -0.514 . . . . 1.82 109.612 176.587 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.475 ' HA ' ' HB3' ' A' ' 18' ' ' HIS . 75.2 m -73.0 -31.58 64.58 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.978 -0.555 . . . . 1.33 110.556 178.289 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.544 ' HA ' ' N ' ' A' ' 28' ' ' GLY . 57.4 t60 -55.96 -48.1 76.41 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.784 -0.821 . . . . 0.37 108.784 169.402 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -62.54 -44.72 95.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.411 -0.813 . . . . 0.54 111.3 176.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.475 ' HB3' ' HA ' ' A' ' 15' ' ' CYS . 29.1 t60 -59.44 -49.29 78.35 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.348 -0.387 . . . . 0.46 111.511 -178.583 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.659 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 77.1 m -63.93 -39.94 95.32 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.786 0.327 . . . . 0.43 110.671 -178.023 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -71.33 -20.37 62.19 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.037 0.446 . . . . 0.98 111.311 -179.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.4 t -77.64 -9.96 59.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.663 -0.698 . . . . 1.35 109.93 173.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.555 HG22 ' HG2' ' A' ' 23' ' ' LYS . 40.7 mt -101.64 138.57 25.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.867 -0.606 . . . . 0.41 110.228 177.5 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.555 ' HG2' HG22 ' A' ' 22' ' ' ILE . 1.1 ptpp? 13.1 -96.01 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.008 0 O-C-N 124.88 1.363 . . . . 1.92 114.438 -174.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.29 27.83 3.54 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.514 -0.851 . . . . 0.5 112.795 -176.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.659 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 13.7 m-30 -66.08 138.47 57.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.114 0.483 . . . . 0.72 110.091 177.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -84.77 -39.27 18.62 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.535 -0.757 . . . . 1.74 111.137 -172.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -159.27 178.25 35.49 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.23 -0.985 . . . . 0.25 112.391 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.544 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -153.7 148.99 20.37 Favored Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 111.452 -0.659 . . . . 0.35 111.452 178.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -156.19 159.94 39.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.892 0.346 . . . . 0.89 110.536 -176.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.506 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 3.9 m -68.76 115.67 8.38 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.47 -0.937 . . . . 0.58 108.47 176.097 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.519 ' HB3' HG13 ' A' ' 36' ' ' VAL . . . -88.2 -42.41 12.32 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.435 -0.506 . . . . 0.42 111.79 -172.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -133.33 73.29 1.51 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.92 0.391 . . . . 2.82 111.531 -175.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.462 ' O ' ' HD3' ' A' ' 7' ' ' PRO . . . 77.2 36.62 34.47 Favored Glycine 0 C--O 1.224 -0.479 0 C-N-CA 120.855 -0.688 . . . . 1.69 112.99 171.325 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.506 ' HA2' ' HB3' ' A' ' 30' ' ' CYS . . . 80.13 -14.51 20.88 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.492 -0.861 . . . . 0.89 113.346 176.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -69.47 -67.67 0.46 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.934 0.397 . . . . 1.09 111.081 -178.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.519 HG13 ' HB3' ' A' ' 31' ' ' ALA . 1.2 p -90.86 135.41 26.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.06 -0.518 . . . . 0.79 111.21 -177.518 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.478 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 68.7 m -106.24 99.18 8.77 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-O 121.721 0.772 . . . . 1.27 110.38 174.341 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.43 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 24.2 tptm -71.99 143.54 49.17 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 114.345 -1.298 . . . . 1.49 110.452 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.3 m -122.15 155.1 36.46 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.762 -0.829 . . . . 0.36 108.762 178.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 26.6 p90 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.759 -0.639 . . . . 1.15 110.056 -179.438 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.759 0 N-CA-C 111.89 -0.484 . . . . 2.12 111.89 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -133.41 12.94 4.16 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.021 0.439 . . . . 1.01 110.149 178.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 160.41 -62.02 0.29 Allowed Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.631 -0.795 . . . . 0.89 112.491 -178.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -78.44 95.88 5.24 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-O 120.898 0.38 . . . . 1.67 110.723 -179.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.489 ' HB2' ' HG3' ' A' ' 9' ' ' GLN . 90.1 m-20 -101.48 40.67 1.27 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.257 0.551 . . . . 1.68 109.921 176.249 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 115.82 154.37 10.4 Favored Glycine 0 N--CA 1.443 -0.881 0 CA-C-N 115.69 -0.687 . . . . 0.55 111.464 -176.135 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.436 ' O ' ' HB2' ' A' ' 10' ' ' GLU . 2.7 Cg_exo -42.46 -45.88 7.98 Favored 'Trans proline' 0 CA--C 1.53 0.282 0 C-N-CA 124.561 3.507 . . . . 0.72 113.622 177.104 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -54.27 -34.83 61.7 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.576 0.703 . . . . 2.6 110.53 -179.05 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.489 ' HG3' ' HB2' ' A' ' 5' ' ' ASN . 28.7 mm-40 -86.28 -71.57 0.54 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.796 -1.093 . . . . 2.02 108.673 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' A' ' 7' ' ' PRO . 8.0 tt0 47.07 41.81 11.82 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.312 -0.858 . . . . 1.86 111.965 177.001 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -73.89 92.65 2.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.16 0.505 . . . . 2.14 110.308 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -66.92 -45.03 79.14 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.186 -0.916 . . . . 2.02 111.145 -173.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 27.1 tp -65.85 -34.67 78.67 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.585 -0.734 . . . . 0.54 111.252 -176.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -58.34 -45.31 88.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.868 0.366 . . . . 1.82 110.421 175.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.0 t -67.59 -45.41 75.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.945 -0.57 . . . . 1.33 109.799 178.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.705 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 62.2 t60 -55.3 -51.58 66.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.331 -0.85 . . . . 0.37 110.282 176.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -57.97 -41.0 82.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.464 -0.789 . . . . 0.54 111.971 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.451 ' CE1' HD11 ' A' ' 22' ' ' ILE . 8.1 t60 -58.11 -46.51 85.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.862 0.363 . . . . 0.46 110.81 178.502 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.487 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 55.5 m -72.6 -17.88 61.65 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.125 -0.489 . . . . 0.43 111.149 -176.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.705 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 2.0 mmmp? -66.85 -33.29 75.28 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.336 0.588 . . . . 0.98 110.052 178.577 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.4 t -84.84 -0.39 53.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.469 -0.787 . . . . 1.35 111.066 -176.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.659 HG22 ' HG2' ' A' ' 23' ' ' LYS . 38.7 mt -98.97 139.8 19.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 110.345 -0.242 . . . . 0.41 110.345 179.248 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.659 ' HG2' HG22 ' A' ' 22' ' ' ILE . 0.1 OUTLIER 3.57 -99.07 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 125.45 1.5 . . . . 1.92 114.975 -174.883 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.08 28.79 5.28 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.74 -0.743 . . . . 0.5 112.29 -177.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.487 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 13.0 m-30 -66.63 152.02 46.18 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.305 0.574 . . . . 0.72 110.73 179.206 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.414 ' HB3' ' OXT' ' A' ' 40' ' ' TYR . 79.0 tttt -89.44 -48.5 7.29 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.27 -0.877 . . . . 1.74 110.302 -177.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -166.07 -167.26 26.44 Favored Glycine 0 N--CA 1.442 -0.948 0 C-N-CA 120.784 -0.722 . . . . 0.25 112.005 -179.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.538 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -152.63 163.69 30.45 Favored Glycine 0 N--CA 1.449 -0.491 0 N-CA-C 111.104 -0.798 . . . . 0.35 111.104 178.258 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -163.9 161.37 22.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.174 0.511 . . . . 0.89 111.046 -178.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.459 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 10.8 m -78.06 102.16 7.31 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.467 -0.788 . . . . 0.58 109.528 178.698 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.556 ' HB3' HG13 ' A' ' 36' ' ' VAL . . . -70.68 -40.9 72.66 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.119 0.415 . . . . 0.42 112.119 -169.441 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -99.25 51.47 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.113 0.482 . . . . 2.82 110.49 179.146 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.23 -62.03 4.38 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.783 -0.644 . . . . 1.69 111.561 176.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.459 ' HA2' ' HB3' ' A' ' 30' ' ' CYS . . . -164.4 26.98 0.2 Allowed Glycine 0 C--O 1.226 -0.373 0 C-N-CA 120.95 -0.643 . . . . 0.89 112.597 -177.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -109.81 -70.82 0.79 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.015 0.436 . . . . 1.09 111.53 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.556 HG13 ' HB3' ' A' ' 31' ' ' ALA . 2.3 p -85.69 135.03 25.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.895 -0.593 . . . . 0.79 111.79 -174.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.4 t -97.05 97.52 9.3 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.053 -0.976 . . . . 1.27 109.696 178.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.599 ' HG2' ' N ' ' A' ' 39' ' ' CYS . 66.8 tttt -95.76 161.18 14.13 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.764 -0.653 . . . . 1.49 109.992 178.429 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.599 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 56.6 m -121.71 156.94 32.01 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.563 -0.532 . . . . 0.36 109.563 178.657 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.414 ' OXT' ' HB3' ' A' ' 26' ' ' LYS . 29.0 p90 . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.742 -0.646 . . . . 1.15 109.459 178.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.565 ' HA3' ' ND2' ' A' ' 5' ' ' ASN . . . . . . . . 0 N--CA 1.483 1.786 0 N-CA-C 112.336 -0.306 . . . . 2.12 112.336 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 59.37 26.08 14.9 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 123.06 0.544 . . . . 1.01 111.539 178.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 130.71 -40.4 1.66 Allowed Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.662 -0.78 . . . . 0.89 112.1 -178.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.708 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 91.9 m -69.27 -75.68 0.11 Allowed 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 110.505 -0.183 . . . . 1.67 110.505 177.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.565 ' ND2' ' HA3' ' A' ' 1' ' ' GLY . 9.9 m120 52.17 38.47 24.49 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 113.175 0.806 . . . . 1.68 113.175 171.482 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 100.07 171.2 29.83 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.404 -0.903 . . . . 0.55 113.234 177.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.424 ' HD3' ' CE1' ' A' ' 35' ' ' PHE . 7.6 Cg_endo -53.42 -41.78 70.5 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 124.257 3.305 . . . . 0.72 114.047 -178.228 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 6.1 m95 -62.9 -37.6 87.59 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.74 -0.664 . . . . 2.6 111.482 -172.007 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.708 ' HB2' ' O ' ' A' ' 4' ' ' CYS . 2.3 mt-30 -92.12 -72.58 0.58 Allowed 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.501 -0.555 . . . . 2.02 109.501 -175.13 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 45.57 55.6 6.53 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 123.958 0.786 . . . . 1.86 111.122 173.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -83.81 120.6 26.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.245 0.545 . . . . 2.14 110.371 -177.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -66.32 -55.39 16.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.057 -0.974 . . . . 2.02 111.621 -176.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.5 tp -73.76 -33.12 64.15 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.327 -0.397 . . . . 0.54 111.806 -171.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.29 -43.3 98.3 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.853 -0.339 . . . . 1.82 110.789 177.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.4 t -63.85 -43.04 97.34 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.203 -0.666 . . . . 1.33 109.203 176.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.658 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 43.1 t60 -56.99 -55.52 33.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.423 -0.808 . . . . 0.37 110.63 175.38 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -57.63 -34.66 69.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.549 -0.751 . . . . 0.54 112.049 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.552 ' CE1' HD11 ' A' ' 22' ' ' ILE . 14.9 t60 -60.3 -49.83 76.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.085 0.469 . . . . 0.46 110.297 177.042 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.593 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 36.8 m -67.74 -29.13 68.27 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.822 -0.626 . . . . 0.43 110.828 -178.217 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.658 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 2.4 mmmp? -54.57 -36.8 64.75 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.942 0.401 . . . . 0.98 110.799 178.34 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.7 m -86.75 -3.04 59.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.858 -0.61 . . . . 1.35 111.858 -175.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.63 HG22 ' HG2' ' A' ' 23' ' ' LYS . 39.3 mt -97.31 138.17 22.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 120.981 -0.287 . . . . 0.41 110.656 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.63 ' HG2' HG22 ' A' ' 22' ' ' ILE . 10.0 ptpt 7.73 -98.82 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.439 1.496 . . . . 1.92 114.833 -175.422 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -120.6 25.52 7.24 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.616 -0.802 . . . . 0.5 112.456 -176.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.593 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 10.4 m-30 -67.66 152.06 46.24 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.121 0.486 . . . . 0.72 110.834 179.482 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -104.43 -46.33 4.41 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.899 -0.591 . . . . 1.74 110.865 -177.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -152.66 -179.61 28.36 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.63 -0.795 . . . . 0.25 111.961 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.571 ' HA3' ' SG ' ' A' ' 19' ' ' CYS . . . -155.45 149.72 20.94 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.472 -0.87 . . . . 0.35 112.787 -177.521 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.466 ' CE2' ' HD3' ' A' ' 38' ' ' LYS . 6.6 p90 -158.11 151.16 22.88 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.052 0.453 . . . . 0.89 110.532 -177.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.527 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 23.3 m -70.57 115.14 9.4 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.887 -0.597 . . . . 0.58 109.904 179.332 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.14 -39.77 32.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.442 -0.345 . . . . 0.42 111.902 -174.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -127.38 73.17 1.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.531 -0.304 . . . . 2.82 111.45 -175.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 62.92 35.6 92.26 Favored Glycine 0 C--O 1.227 -0.306 0 C-N-CA 121.197 -0.525 . . . . 1.69 113.239 172.01 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.545 ' O ' ' HB3' ' A' ' 4' ' ' CYS . . . 80.89 -1.41 84.23 Favored Glycine 0 C--O 1.223 -0.57 0 C-N-CA 120.899 -0.667 . . . . 0.89 113.548 176.546 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.424 ' CE1' ' HD3' ' A' ' 7' ' ' PRO . 53.8 m-85 -81.76 -9.66 59.57 Favored 'General case' 0 C--N 1.317 -0.805 0 O-C-N 122.014 -0.698 . . . . 1.09 111.277 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.527 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 1.6 p -150.26 130.68 4.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 120.989 0.423 . . . . 0.79 110.995 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.1 t -99.74 93.68 5.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.365 -0.834 . . . . 1.27 109.026 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.621 ' HG2' ' N ' ' A' ' 39' ' ' CYS . 75.6 tttt -82.01 163.07 22.37 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.712 -0.676 . . . . 1.49 110.338 -177.639 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.621 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 42.2 m -141.77 155.64 45.61 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.3 -0.409 . . . . 0.36 109.929 -176.779 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 27.0 p90 . . . . . 0 C--O 1.243 0.737 0 CA-C-O 117.606 -1.187 . . . . 1.15 109.227 177.922 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.704 0 N-CA-C 112.197 -0.361 . . . . 2.12 112.197 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.56 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 68.5 m-85 -91.42 70.33 5.98 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.032 0.444 . . . . 1.01 110.229 -178.413 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 103.22 -55.08 0.66 Allowed Glycine 0 N--CA 1.445 -0.742 0 N-CA-C 111.026 -0.83 . . . . 0.89 111.026 -178.101 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.449 ' HB2' ' O ' ' A' ' 34' ' ' GLY . 5.3 p -102.78 124.54 48.5 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-O 121.459 0.647 . . . . 1.67 110.229 174.536 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.526 ' H ' ' HB2' ' A' ' 9' ' ' GLN . 35.0 m-80 -110.02 21.73 16.46 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.034 -0.985 . . . . 1.68 111.069 -177.187 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 139.72 174.13 13.54 Favored Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 111.064 -0.814 . . . . 0.55 111.064 -174.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -50.75 -48.63 19.79 Favored 'Trans proline' 0 N--CA 1.472 0.214 0 C-N-CA 123.43 2.754 . . . . 0.72 113.246 -178.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -78.21 -16.22 58.07 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.673 -0.694 . . . . 2.6 110.549 -176.271 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.526 ' HB2' ' H ' ' A' ' 5' ' ' ASN . 7.8 mm100 -99.75 -5.48 28.63 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.538 -0.755 . . . . 2.02 109.983 -177.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.44 ' HA ' ' CB ' ' A' ' 4' ' ' CYS . 1.5 tm-20 -52.83 104.2 0.09 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.862 -1.063 . . . . 1.86 112.2 -176.391 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -122.46 105.65 10.34 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.796 -0.816 . . . . 2.14 108.796 174.04 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -62.42 -46.44 88.54 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.222 -0.899 . . . . 2.02 111.863 -172.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.0 tp -67.98 -36.76 80.57 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.71 -0.396 . . . . 0.54 111.472 -176.333 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -62.35 -42.54 99.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.623 0.249 . . . . 1.82 110.714 176.424 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.6 t -64.07 -46.12 85.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.339 0.59 . . . . 1.33 109.544 175.238 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.668 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 58.5 t60 -54.73 -51.65 64.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.269 -0.878 . . . . 0.37 110.415 176.297 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -61.17 -33.75 73.93 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.531 -0.758 . . . . 0.54 112.281 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.41 ' NE2' HD11 ' A' ' 22' ' ' ILE . 16.3 t60 -59.32 -44.72 92.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.018 0.437 . . . . 0.46 109.985 177.227 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.48 ' SG ' ' HA3' ' A' ' 28' ' ' GLY . 50.3 m -75.18 -17.25 60.42 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.813 -0.631 . . . . 0.43 111.289 -177.516 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.668 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 1.7 mmmp? -71.46 -37.18 71.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.199 0.523 . . . . 0.98 109.945 178.107 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.1 m -77.59 -11.0 59.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.346 -0.843 . . . . 1.35 111.378 -178.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.619 HG22 ' HG2' ' A' ' 23' ' ' LYS . 44.4 mt -90.27 141.65 14.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 109.759 -0.46 . . . . 0.41 109.759 177.42 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.619 ' HG2' HG22 ' A' ' 22' ' ' ILE . 6.4 ptpt 13.58 -91.04 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.15 0 O-C-N 124.989 1.431 . . . . 1.92 113.406 -175.41 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -157.7 48.33 0.45 Allowed Glycine 0 N--CA 1.438 -1.229 0 C-N-CA 120.089 -1.053 . . . . 0.5 112.436 173.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.444 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 78.6 m-85 -59.56 168.62 1.55 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.476 0.655 . . . . 0.72 111.388 172.77 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -89.43 -47.24 8.14 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.431 -0.804 . . . . 1.74 109.86 178.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -169.57 -172.87 36.62 Favored Glycine 0 N--CA 1.442 -0.934 0 CA-C-N 115.516 -0.766 . . . . 0.25 111.79 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.48 ' HA3' ' SG ' ' A' ' 19' ' ' CYS . . . -144.77 155.83 26.6 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.548 -0.834 . . . . 0.35 112.039 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -152.52 150.92 30.09 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.026 0.441 . . . . 0.89 110.143 178.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.605 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 4.7 m -80.85 112.65 18.43 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 109.426 -0.583 . . . . 0.58 109.426 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.62 -41.15 63.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.128 -0.487 . . . . 0.42 111.943 -170.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -120.27 72.76 0.96 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.246 0.462 . . . . 2.82 112.246 -173.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 73.75 37.82 50.99 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.696 -0.764 . . . . 1.69 113.105 168.031 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.449 ' O ' ' HB2' ' A' ' 4' ' ' CYS . . . 77.26 10.53 86.2 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.692 -0.765 . . . . 0.89 113.184 178.065 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -90.39 -63.18 1.31 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 117.062 0.431 . . . . 1.09 111.876 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.605 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 2.5 p -99.87 127.21 52.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.17 0.51 . . . . 0.79 111.88 -175.348 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.56 ' HB3' ' HB2' ' A' ' 2' ' ' PHE . 44.5 t -91.39 98.03 11.45 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.197 -0.91 . . . . 1.27 109.773 179.088 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.1 tmtm? -91.22 146.43 23.83 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.679 -0.691 . . . . 1.49 109.512 177.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.1 m -117.92 153.05 34.24 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.288 -0.414 . . . . 0.36 110.599 -174.453 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 18.2 p90 . . . . . 0 C--O 1.251 1.172 0 CA-C-O 118.864 -0.589 . . . . 1.15 109.798 -178.888 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.509 ' HA2' ' HA ' ' A' ' 5' ' ' ASN . . . . . . . . 0 N--CA 1.486 2.0 0 N-CA-C 112.564 -0.214 . . . . 2.12 112.564 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 59.13 38.92 23.59 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.355 0.598 . . . . 1.01 111.632 178.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.403 ' HA3' ' HE3' ' A' ' 14' ' ' LYS . . . 98.45 -19.25 55.18 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.857 -0.687 . . . . 0.89 113.084 176.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.737 ' SG ' ' HG2' ' A' ' 10' ' ' GLU . 11.4 t -94.26 -57.53 2.48 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.627 -0.429 . . . . 1.67 110.212 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.509 ' HA ' ' HA2' ' A' ' 1' ' ' GLY . 15.3 m120 70.41 -42.54 0.52 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.13 0.972 . . . . 1.68 113.566 170.014 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 178.19 172.27 42.43 Favored Glycine 0 N--CA 1.441 -1.03 0 N-CA-C 110.617 -0.993 . . . . 0.55 110.617 -177.548 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -52.35 -41.02 69.17 Favored 'Trans proline' 0 CA--C 1.528 0.208 0 C-N-CA 123.043 2.495 . . . . 0.72 112.714 -177.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -72.84 -32.41 65.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.107 -0.497 . . . . 2.6 111.025 -176.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.657 ' HB2' ' O ' ' A' ' 4' ' ' CYS . 4.3 mt-30 -93.6 -13.12 28.05 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.151 -0.477 . . . . 2.02 110.64 -173.63 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.737 ' HG2' ' SG ' ' A' ' 4' ' ' CYS . 1.2 tm-20 -45.84 117.68 1.57 Allowed 'General case' 0 C--O 1.236 0.36 0 O-C-N 124.018 0.824 . . . . 1.86 111.255 -178.702 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -85.76 -93.78 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.035 -0.984 . . . . 2.14 110.791 -177.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.3 t70 177.44 -64.06 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.214 -0.662 . . . . 2.02 109.214 -179.1 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.0 tp -104.91 -18.72 14.1 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 114.98 -1.009 . . . . 0.54 111.004 -172.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.403 ' HE3' ' HA3' ' A' ' 3' ' ' GLY . 11.2 mmmt -56.14 -41.98 76.22 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 111.657 0.243 . . . . 1.82 111.657 -179.155 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 32.3 t -64.83 -43.79 91.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.232 0.539 . . . . 1.33 109.701 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.634 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 48.7 t60 -59.81 -52.74 64.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.66 -0.7 . . . . 0.37 110.249 176.508 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -57.46 -38.06 73.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.385 -0.825 . . . . 0.54 112.235 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -55.02 -42.9 73.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.309 0.576 . . . . 0.46 110.723 178.496 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.52 ' SG ' ' HA3' ' A' ' 28' ' ' GLY . 19.9 m -76.75 -16.63 59.43 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.809 -0.632 . . . . 0.43 110.862 -177.408 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.634 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 1.7 mmmp? -76.35 -26.18 55.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.934 0.397 . . . . 0.98 110.642 -178.151 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.6 p -89.47 -0.93 57.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.195 -0.457 . . . . 1.35 111.382 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.559 HG22 ' HG2' ' A' ' 23' ' ' LYS . 28.6 mt -100.04 149.13 6.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.523 -0.547 . . . . 0.41 109.523 175.194 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.559 ' HG2' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -2.29 -86.13 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.122 1.369 . . . . 1.92 114.405 -175.873 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -150.46 41.1 0.81 Allowed Glycine 0 N--CA 1.441 -1.011 0 C-N-CA 119.353 -1.404 . . . . 0.5 113.564 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.442 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 90.5 m-85 -68.27 145.95 53.77 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 120.358 -0.537 . . . . 0.72 109.917 170.554 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -84.01 -40.55 18.28 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.504 -0.771 . . . . 1.74 110.513 -175.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -164.82 -175.12 35.28 Favored Glycine 0 N--CA 1.439 -1.144 0 C-N-CA 120.469 -0.872 . . . . 0.25 111.844 -179.355 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.52 ' HA3' ' SG ' ' A' ' 19' ' ' CYS . . . -151.34 142.17 9.26 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.529 -0.843 . . . . 0.35 112.834 -178.122 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.548 ' CE2' ' HD3' ' A' ' 38' ' ' LYS . 2.5 p90 -143.57 147.36 34.31 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.183 0.516 . . . . 0.89 110.16 -179.259 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.464 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 25.3 m -72.45 112.68 8.73 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.667 -0.697 . . . . 0.58 109.852 -177.778 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.0 -42.41 60.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.916 -0.584 . . . . 0.42 111.926 -168.293 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -123.71 68.45 1.03 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.821 0.343 . . . . 2.82 110.637 -176.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.33 -47.52 3.76 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.886 -0.673 . . . . 1.69 112.784 174.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.704 ' HA2' ' SG ' ' A' ' 4' ' ' CYS . . . 172.72 -27.14 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.474 -0.87 . . . . 0.89 112.486 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -52.34 -47.12 66.25 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.157 0.503 . . . . 1.09 111.807 -176.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -110.55 128.86 66.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.851 -0.613 . . . . 0.79 111.278 -175.746 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 50.7 t -102.04 95.56 6.43 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.355 -0.838 . . . . 1.27 108.769 177.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.551 ' HG2' ' N ' ' A' ' 39' ' ' CYS . 66.8 tttt -84.44 157.75 21.28 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.664 -0.698 . . . . 1.49 110.397 -177.257 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.551 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 54.6 m -132.74 156.97 46.07 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.03 -0.532 . . . . 0.36 109.864 -176.141 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 15.2 p90 . . . . . 0 C--O 1.241 0.653 0 CA-C-O 118.317 -0.849 . . . . 1.15 110.057 -179.873 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.685 0 N-CA-C 112.241 -0.344 . . . . 2.12 112.241 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -79.79 64.14 4.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.641 0.734 . . . . 1.01 110.337 -178.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 136.0 -68.08 0.53 Allowed Glycine 0 N--CA 1.444 -0.774 0 CA-C-N 114.747 -1.115 . . . . 0.89 110.446 -176.199 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.794 ' SG ' ' HA ' ' A' ' 10' ' ' GLU . 3.2 m -70.33 102.14 2.08 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-O 121.624 0.726 . . . . 1.67 110.85 175.769 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.463 ' H ' ' HB2' ' A' ' 9' ' ' GLN . 3.5 m-20 -103.23 27.68 7.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.205 -0.907 . . . . 1.68 110.588 178.407 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 126.38 170.12 12.9 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 111.187 -0.765 . . . . 0.55 111.187 -174.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -47.32 -43.86 25.63 Favored 'Trans proline' 0 CA--C 1.532 0.413 0 C-N-CA 123.706 2.938 . . . . 0.72 113.337 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.7 m95 -75.62 -14.69 60.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.284 0.564 . . . . 2.6 111.129 -175.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.463 ' HB2' ' H ' ' A' ' 5' ' ' ASN . 17.0 mm-40 -108.97 -3.26 17.64 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.362 -0.835 . . . . 2.02 109.91 -173.798 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.794 ' HA ' ' SG ' ' A' ' 4' ' ' CYS . 4.3 tm-20 -48.51 114.8 1.04 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.673 -1.149 . . . . 1.86 112.001 -177.728 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -141.47 114.34 8.5 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.445 -0.798 . . . . 2.14 109.466 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -65.3 -42.97 92.55 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.386 -0.825 . . . . 2.02 111.522 -176.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.6 tp -70.64 -36.36 73.38 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.918 -0.583 . . . . 0.54 112.005 -170.125 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm -62.2 -46.6 88.2 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.928 -0.309 . . . . 1.82 111.007 177.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.4 m -67.21 -37.0 82.89 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.135 0.493 . . . . 1.33 109.794 176.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.656 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 61.9 t60 -59.05 -53.38 58.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.596 -0.729 . . . . 0.37 110.185 175.295 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -57.69 -37.51 73.6 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.165 -0.925 . . . . 0.54 111.829 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.537 ' CE1' HD11 ' A' ' 22' ' ' ILE . 11.9 t60 -57.61 -46.89 83.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.981 0.42 . . . . 0.46 110.455 176.276 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.487 ' SG ' ' HA3' ' A' ' 28' ' ' GLY . 37.9 m -73.41 -20.67 60.68 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.07 -0.514 . . . . 0.43 111.168 -177.232 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.656 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 1.9 mmmp? -64.63 -26.24 68.31 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.343 0.592 . . . . 0.98 110.064 176.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.2 t -87.87 -6.97 57.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.461 -0.79 . . . . 1.35 111.038 -178.119 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.699 HG22 ' HG2' ' A' ' 23' ' ' LYS . 26.0 mt -102.61 140.44 20.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 120.822 -0.351 . . . . 0.41 110.739 -178.46 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.699 ' HG2' HG22 ' A' ' 22' ' ' ILE . 1.8 ptpp? -1.05 -102.32 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 115.478 1.658 . . . . 1.92 115.478 -175.473 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -114.82 27.3 8.8 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.464 -0.874 . . . . 0.5 112.46 -176.354 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.406 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 11.9 m-30 -74.31 131.62 41.33 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.899 0.38 . . . . 0.72 110.09 178.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -80.4 -40.95 25.47 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.868 -0.605 . . . . 1.74 111.053 -175.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -162.54 -174.84 32.92 Favored Glycine 0 N--CA 1.439 -1.159 0 C-N-CA 120.611 -0.804 . . . . 0.25 111.819 -178.52 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.555 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -148.57 146.62 16.33 Favored Glycine 0 N--CA 1.444 -0.833 0 C-N-CA 120.79 -0.719 . . . . 0.35 111.964 -178.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -144.71 147.85 33.49 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.983 0.421 . . . . 0.89 109.931 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.682 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 3.3 m -78.13 105.24 9.22 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.492 -0.559 . . . . 0.58 109.492 -179.279 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.19 -57.32 4.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.892 -0.594 . . . . 0.42 111.702 -171.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -97.74 63.38 1.7 Allowed 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 112.243 0.46 . . . . 2.82 112.243 -173.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.99 45.55 8.25 Favored Glycine 0 CA--C 1.51 -0.255 0 C-N-CA 120.445 -0.883 . . . . 1.69 113.448 166.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.674 ' C ' ' HB3' ' A' ' 4' ' ' CYS . . . 65.88 45.38 88.53 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.81 -0.709 . . . . 0.89 112.812 -179.631 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -125.51 -72.17 0.67 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.75 0.309 . . . . 1.09 111.247 177.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.682 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 2.4 p -84.12 129.87 36.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.105 -0.498 . . . . 0.79 111.455 -177.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 69.4 m -87.39 81.7 7.77 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.68 -0.691 . . . . 1.27 109.98 176.012 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.472 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 21.4 tptm -68.34 138.24 55.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.01 -0.541 . . . . 1.49 110.124 178.292 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.5 m -116.34 155.09 29.06 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.822 -0.627 . . . . 0.36 110.145 -176.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 15.1 p90 . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.49 -0.767 . . . . 1.15 110.779 -178.373 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.446 ' HA2' ' OD1' ' A' ' 5' ' ' ASN . . . . . . . . 0 N--CA 1.48 1.589 0 N-CA-C 112.043 -0.423 . . . . 2.12 112.043 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 55.89 54.79 7.67 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.359 0.599 . . . . 1.01 110.637 179.167 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 95.15 -56.42 1.78 Allowed Glycine 0 N--CA 1.444 -0.823 0 CA-C-N 115.316 -0.856 . . . . 0.89 111.553 -179.104 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.507 ' SG ' ' HA ' ' A' ' 10' ' ' GLU . 30.7 m -84.1 86.48 7.21 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-O 121.713 0.768 . . . . 1.67 111.173 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.511 ' H ' ' HB2' ' A' ' 9' ' ' GLN . 56.2 m-20 -102.62 36.46 2.17 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.763 -1.108 . . . . 1.68 109.263 173.463 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 121.66 153.99 9.09 Favored Glycine 0 N--CA 1.442 -0.952 0 N-CA-C 110.509 -1.037 . . . . 0.55 110.509 -171.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -44.7 -37.9 12.0 Favored 'Trans proline' 0 N--CA 1.476 0.451 0 C-N-CA 123.948 3.099 . . . . 0.72 113.928 178.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -67.62 -30.38 69.94 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.465 0.65 . . . . 2.6 110.385 -178.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.511 ' HB2' ' H ' ' A' ' 5' ' ' ASN . 33.8 mm-40 -90.24 -17.91 26.63 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.212 -0.904 . . . . 2.02 110.028 -178.063 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.507 ' HA ' ' SG ' ' A' ' 4' ' ' CYS . 17.3 tt0 -37.77 112.24 0.2 Allowed 'General case' 0 C--O 1.235 0.323 0 O-C-N 124.717 1.261 . . . . 1.86 112.792 -171.095 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -129.41 109.94 11.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.649 -0.705 . . . . 2.14 109.573 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -59.25 -51.23 70.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.892 -1.049 . . . . 2.02 112.0 -176.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.434 ' HG ' ' ND2' ' A' ' 17' ' ' ASN . 20.1 tp -74.8 -34.41 62.39 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.936 -0.574 . . . . 0.54 111.917 -171.686 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.1 tppt? -59.91 -43.89 94.59 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 121.126 -0.23 . . . . 1.82 110.615 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.9 t -67.29 -44.98 77.92 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.616 -0.513 . . . . 1.33 109.616 178.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.696 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 55.1 t60 -54.97 -52.23 63.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.654 -0.703 . . . . 0.37 110.126 175.289 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.434 ' ND2' ' HG ' ' A' ' 13' ' ' LEU . 82.4 m-20 -59.27 -38.59 80.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.48 -0.782 . . . . 0.54 111.948 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.541 ' CE1' HD11 ' A' ' 22' ' ' ILE . 4.5 t-80 -60.22 -44.6 95.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.919 0.39 . . . . 0.46 110.754 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.596 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 44.1 m -73.43 -24.4 60.24 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.076 -0.511 . . . . 0.43 111.248 -177.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.696 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 2.5 mmmp? -57.62 -37.02 72.58 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.02 0.438 . . . . 0.98 111.037 -178.63 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 42.0 m -93.18 1.15 57.24 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.737 -0.665 . . . . 1.35 112.095 -174.142 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.742 HG22 ' HG2' ' A' ' 23' ' ' LYS . 52.3 mt -92.08 135.06 28.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.656 -0.418 . . . . 0.41 110.061 176.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.742 ' HG2' HG22 ' A' ' 22' ' ' ILE . 8.6 ptmt 11.85 -93.84 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.264 1.426 . . . . 1.92 114.473 -172.37 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -128.74 28.29 4.21 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.897 -0.668 . . . . 0.5 111.85 -179.213 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.596 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 14.3 m-30 -68.1 146.38 53.52 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.297 0.57 . . . . 0.72 110.839 178.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.5 ttpp -92.62 -49.86 5.89 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.26 -0.882 . . . . 1.74 111.03 -175.183 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -153.97 -177.84 27.81 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.635 -0.793 . . . . 0.25 111.479 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.566 ' HA3' ' SG ' ' A' ' 19' ' ' CYS . . . -150.16 144.83 12.4 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.304 -0.951 . . . . 0.35 112.634 -179.664 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.433 ' O ' ' HD2' ' A' ' 29' ' ' TYR . 0.1 OUTLIER -147.53 153.13 39.11 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.423 0.63 . . . . 0.89 111.072 178.621 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.656 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 32.3 m -84.15 101.93 12.2 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.636 -0.711 . . . . 0.58 109.906 -176.047 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.57 -52.99 58.65 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 115.261 -0.881 . . . . 0.42 111.995 -168.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -90.85 50.65 1.83 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.33 0.586 . . . . 2.82 110.345 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 85.34 -66.11 3.87 Favored Glycine 0 N--CA 1.441 -0.98 0 N-CA-C 110.976 -0.85 . . . . 1.69 110.976 176.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.476 ' HA2' ' HB3' ' A' ' 30' ' ' CYS . . . -167.45 32.14 0.2 Allowed Glycine 0 N--CA 1.444 -0.789 0 CA-C-N 114.914 -0.643 . . . . 0.89 112.075 -177.486 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -108.02 -30.12 8.62 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.73 0.3 . . . . 1.09 111.484 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.656 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 2.2 p -131.97 135.35 58.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.116 -0.493 . . . . 0.79 110.805 -175.665 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 39.9 t -97.87 94.38 6.87 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.186 -0.672 . . . . 1.27 109.186 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.4 tptt -84.49 141.0 31.07 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.49 -0.777 . . . . 1.49 110.281 -179.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 36.9 m -124.06 156.89 35.75 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.746 -0.661 . . . . 0.36 109.84 -177.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.4 p90 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.861 -0.59 . . . . 1.15 109.694 -179.37 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.889 0 N-CA-C 112.279 -0.329 . . . . 2.12 112.279 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -128.79 63.91 1.46 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.304 0.573 . . . . 1.01 110.129 178.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 86.38 -50.07 4.17 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.513 -0.767 . . . . 0.89 111.516 -177.296 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.896 ' SG ' ' HA2' ' A' ' 34' ' ' GLY . 5.9 t -81.04 109.89 16.04 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.713 -0.847 . . . . 1.67 108.713 175.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -119.2 21.86 12.08 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.868 -0.605 . . . . 1.68 111.006 -174.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 139.27 179.75 17.82 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.695 -0.764 . . . . 0.55 111.579 -175.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -48.41 -59.0 1.41 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 123.673 2.915 . . . . 0.72 113.116 -178.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -70.97 -26.05 62.99 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.471 0.653 . . . . 2.6 110.614 -176.652 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -89.18 -1.18 57.98 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.262 -0.881 . . . . 2.02 111.267 -175.242 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.821 ' HA ' ' SG ' ' A' ' 4' ' ' CYS . 9.9 mt-10 -53.22 126.36 20.7 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.449 0.642 . . . . 1.86 112.561 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.412 ' OD1' ' HG2' ' A' ' 14' ' ' LYS . 8.7 t70 -140.95 98.05 3.31 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.016 -0.993 . . . . 2.14 108.56 174.474 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -53.54 -43.12 68.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.884 -1.053 . . . . 2.02 112.01 -173.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.8 tp -72.68 -31.37 64.99 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.254 -0.43 . . . . 0.54 111.653 -174.37 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.412 ' HG2' ' OD1' ' A' ' 11' ' ' ASP . 29.9 mmmt -64.11 -45.6 87.88 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.88 -0.328 . . . . 1.82 110.458 177.284 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.413 ' SG ' ' HB2' ' A' ' 4' ' ' CYS . 74.7 m -63.39 -43.62 97.05 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.295 -0.631 . . . . 1.33 109.295 175.711 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.684 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 48.3 t60 -55.75 -55.06 36.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.988 -1.006 . . . . 0.37 110.45 177.008 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -57.8 -35.99 71.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.521 -0.763 . . . . 0.54 112.206 -178.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -62.16 -45.2 94.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.061 0.458 . . . . 0.46 110.359 178.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.605 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 35.4 m -71.27 -27.08 63.19 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.93 -0.577 . . . . 0.43 110.71 -177.579 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.684 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 2.4 mmmp? -58.91 -35.65 73.42 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.979 0.418 . . . . 0.98 111.082 -178.453 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.0 m -85.26 -4.02 59.02 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.046 -0.525 . . . . 1.35 111.507 -175.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.735 HG22 ' HG2' ' A' ' 23' ' ' LYS . 36.4 mt -99.95 136.67 30.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.575 0.226 . . . . 0.41 110.894 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.735 ' HG2' HG22 ' A' ' 22' ' ' ILE . 13.0 ptpt 13.05 -100.34 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.059 0 O-C-N 125.086 1.491 . . . . 1.92 114.597 -176.138 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.54 26.13 5.79 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 121.11 -0.566 . . . . 0.5 112.608 -176.302 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.605 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 13.6 m-30 -65.0 143.24 58.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.112 0.482 . . . . 0.72 110.459 178.551 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -90.56 -44.38 9.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.715 -0.675 . . . . 1.74 110.303 -178.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -160.58 -174.0 29.85 Favored Glycine 0 N--CA 1.437 -1.28 0 C-N-CA 120.355 -0.926 . . . . 0.25 112.177 -178.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.573 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -154.86 160.24 29.55 Favored Glycine 0 N--CA 1.443 -0.892 0 N-CA-C 111.55 -0.62 . . . . 0.35 111.55 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.9 p90 -160.67 158.37 28.69 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 110.238 -0.282 . . . . 0.89 110.238 -177.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.566 ' SG ' ' HG2' ' A' ' 10' ' ' GLU . 5.6 m -71.81 115.9 11.56 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.032 -0.729 . . . . 0.58 109.032 177.075 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.1 -39.0 14.94 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.036 0.445 . . . . 0.42 111.905 -172.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.431 ' HE3' ' HA ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -129.64 71.54 1.44 Allowed 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 120.843 -0.343 . . . . 2.82 111.87 -176.692 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 69.32 39.36 81.54 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.715 -0.755 . . . . 1.69 112.408 171.302 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.896 ' HA2' ' SG ' ' A' ' 4' ' ' CYS . . . 75.02 -4.49 38.64 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.851 -0.69 . . . . 0.89 113.9 178.096 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -80.4 -12.69 59.54 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.937 0.369 . . . . 1.09 111.654 -176.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.437 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 1.5 p -152.12 132.16 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.95 0.405 . . . . 0.79 111.659 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 99.9 m -96.78 92.38 6.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.619 -0.719 . . . . 1.27 109.781 174.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.556 ' HG2' ' N ' ' A' ' 39' ' ' CYS . 40.1 tttp -73.29 159.78 32.86 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.725 -0.472 . . . . 1.49 109.725 177.131 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.556 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 56.2 m -127.82 158.62 37.24 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.791 -0.448 . . . . 0.36 109.791 -178.396 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 18.8 p90 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.733 -0.651 . . . . 1.15 109.655 179.764 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.729 0 N-CA-C 111.967 -0.453 . . . . 2.12 111.967 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.471 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 93.4 m-85 -124.48 64.61 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.156 0.503 . . . . 1.01 110.708 178.314 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.512 ' HA3' ' HG2' ' A' ' 14' ' ' LYS . . . 108.6 -56.56 0.46 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.72 -0.752 . . . . 0.89 113.672 175.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.801 ' SG ' ' HA2' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -58.45 -61.86 2.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 119.684 -0.198 . . . . 1.67 111.145 -177.261 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 57.09 31.89 20.75 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 120.959 0.409 . . . . 1.68 111.887 175.343 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 97.5 168.91 32.77 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.542 -0.837 . . . . 0.55 112.666 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -52.31 -36.7 69.24 Favored 'Trans proline' 0 N--CA 1.475 0.392 0 C-N-CA 124.38 3.387 . . . . 0.72 114.171 -177.147 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 3.4 m95 -54.54 -41.97 70.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.682 -0.69 . . . . 2.6 111.293 -173.283 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.3 -61.47 1.48 Allowed 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.956 -0.757 . . . . 2.02 108.956 -179.129 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.673 ' HA ' ' SG ' ' A' ' 4' ' ' CYS . 13.4 tt0 50.9 57.0 7.13 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.916 -1.038 . . . . 1.86 112.129 172.798 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.551 ' H ' ' HA ' ' A' ' 4' ' ' CYS . 6.2 t70 -82.63 89.61 6.73 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.049 -0.722 . . . . 2.14 109.049 173.094 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.611 ' HA ' ' SG ' ' A' ' 30' ' ' CYS . 16.3 t70 -67.24 -36.73 82.25 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.825 -0.625 . . . . 2.02 111.053 -174.427 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 25.2 tp -65.57 -34.22 77.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.872 -0.604 . . . . 0.54 111.106 -178.55 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.512 ' HG2' ' HA3' ' A' ' 3' ' ' GLY . 4.6 tppt? -60.29 -43.21 96.46 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 110.011 -0.366 . . . . 1.82 110.011 176.503 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 71.1 m -58.67 -46.54 86.99 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 121.228 0.537 . . . . 1.33 109.795 175.519 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.692 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 70.8 t60 -57.58 -55.58 32.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.25 -0.886 . . . . 0.37 110.355 176.448 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -57.63 -36.06 71.32 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.64 -0.709 . . . . 0.54 112.069 -178.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.483 ' CE1' HD11 ' A' ' 22' ' ' ILE . 19.9 t60 -60.64 -48.15 83.08 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.694 0.283 . . . . 0.46 110.983 178.744 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.482 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 34.2 m -70.32 -23.45 62.84 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.379 -0.373 . . . . 0.43 111.072 -176.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.692 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 1.9 mmmp? -60.49 -33.46 72.64 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.98 0.419 . . . . 0.98 111.302 -178.708 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.4 m -95.05 4.53 53.64 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.005 -0.543 . . . . 1.35 111.673 -175.29 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.606 HG22 ' HG2' ' A' ' 23' ' ' LYS . 43.5 mt -95.96 135.52 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 110.223 -0.288 . . . . 0.41 110.223 176.772 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.606 ' HG2' HG22 ' A' ' 22' ' ' ILE . 1.1 ptpp? 12.75 -92.45 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.007 0 O-C-N 125.072 1.483 . . . . 1.92 114.623 -174.179 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.47 26.69 3.47 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.626 -0.797 . . . . 0.5 112.702 -177.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.482 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 13.3 m-30 -63.95 153.98 35.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.349 0.595 . . . . 0.72 110.982 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.452 ' HB3' ' O ' ' A' ' 40' ' ' TYR . 77.0 tttt -89.74 -46.34 8.67 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.38 -0.827 . . . . 1.74 110.374 -178.606 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -168.12 -167.63 29.06 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.773 -0.727 . . . . 0.25 112.137 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.408 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -152.93 166.33 31.4 Favored Glycine 0 N--CA 1.446 -0.687 0 N-CA-C 111.38 -0.688 . . . . 0.35 111.38 178.48 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.409 ' CE2' ' HD3' ' A' ' 38' ' ' LYS . 12.8 p90 -163.11 157.61 20.88 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.842 0.353 . . . . 0.89 110.4 -179.728 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.611 ' SG ' ' HA ' ' A' ' 12' ' ' ASP . 35.5 m -77.47 106.73 9.43 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.337 -0.616 . . . . 0.58 109.337 176.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.27 -45.95 18.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.291 -0.413 . . . . 0.42 111.929 -171.541 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -105.76 50.15 0.79 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.505 -0.316 . . . . 2.82 111.117 -176.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.41 38.42 93.54 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.694 -0.765 . . . . 1.69 112.815 174.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.801 ' HA2' ' SG ' ' A' ' 4' ' ' CYS . . . 99.51 -14.65 60.61 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.562 -0.827 . . . . 0.89 113.412 176.389 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -76.36 -9.66 58.81 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 112.296 0.48 . . . . 1.09 112.296 -176.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.538 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 3.5 p -159.62 135.53 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.187 0.518 . . . . 0.79 111.745 -177.585 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.471 ' SG ' ' HB2' ' A' ' 2' ' ' PHE . 66.0 m -99.56 90.77 4.61 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.129 -0.942 . . . . 1.27 109.251 175.693 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.559 ' HG2' ' N ' ' A' ' 39' ' ' CYS . 38.9 tttp -78.44 158.59 28.63 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.455 -0.572 . . . . 1.49 109.455 178.331 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.559 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 35.2 m -125.63 153.04 44.37 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.497 -0.557 . . . . 0.36 109.497 -178.536 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.452 ' O ' ' HB3' ' A' ' 26' ' ' LYS . 21.4 p90 . . . . . 0 C--O 1.246 0.899 0 CA-C-O 118.071 -0.966 . . . . 1.15 109.387 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.411 ' HA2' ' HA ' ' A' ' 5' ' ' ASN . . . . . . . . 0 N--CA 1.484 1.839 0 N-CA-C 112.083 -0.407 . . . . 2.12 112.083 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 51.71 61.88 2.99 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 123.046 0.538 . . . . 1.01 111.936 178.038 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.447 ' HA3' ' HB3' ' A' ' 14' ' ' LYS . . . 88.09 -38.36 3.19 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.73 -0.748 . . . . 0.89 112.986 175.718 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.873 ' SG ' ' HA2' ' A' ' 34' ' ' GLY . 35.9 t -81.14 -42.27 21.16 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.014 -0.365 . . . . 1.67 110.014 178.598 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.411 ' HA ' ' HA2' ' A' ' 1' ' ' GLY . 88.7 m-20 65.0 -39.31 0.26 Allowed 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 115.517 1.673 . . . . 1.68 115.517 170.214 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.439 ' C ' ' HA3' ' A' ' 34' ' ' GLY . . . 173.3 -177.06 45.88 Favored Glycine 0 N--CA 1.443 -0.837 0 N-CA-C 111.558 -0.617 . . . . 0.55 111.558 -173.347 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -61.63 -43.15 28.25 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 122.738 2.292 . . . . 0.72 112.421 -175.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -73.79 -28.09 61.47 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.32 -0.855 . . . . 2.6 110.706 -175.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.517 ' HB2' ' O ' ' A' ' 4' ' ' CYS . 10.3 mm100 -98.58 -4.09 34.86 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.261 -0.881 . . . . 2.02 110.921 -171.451 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.779 ' HG2' ' SG ' ' A' ' 4' ' ' CYS . 0.8 OUTLIER -46.87 97.52 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 O-C-N 124.289 0.993 . . . . 1.86 113.45 -174.103 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -114.25 111.16 21.08 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.837 -0.801 . . . . 2.14 108.837 170.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -61.83 -39.46 91.87 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.295 -0.866 . . . . 2.02 111.784 -173.373 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.436 ' HG ' ' ND2' ' A' ' 17' ' ' ASN . 23.8 tp -71.39 -39.61 71.06 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 120.748 -0.381 . . . . 0.54 111.192 -176.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.447 ' HB3' ' HA3' ' A' ' 3' ' ' GLY . 7.0 mmmm -58.58 -43.92 89.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.697 0.284 . . . . 1.82 110.86 176.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.4 t -64.83 -42.9 94.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.291 0.567 . . . . 1.33 109.631 177.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.688 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 63.0 t60 -58.55 -52.29 66.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.48 -0.782 . . . . 0.37 110.165 176.51 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.436 ' ND2' ' HG ' ' A' ' 13' ' ' LEU . 86.1 m-20 -61.17 -33.89 74.15 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.286 -0.87 . . . . 0.54 112.541 -178.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.483 ' CE1' HD11 ' A' ' 22' ' ' ILE . 9.8 t60 -58.24 -46.74 85.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.05 0.452 . . . . 0.46 110.178 177.168 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.517 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 34.0 m -72.54 -20.27 61.37 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.999 -0.546 . . . . 0.43 110.766 -178.559 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.688 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 28.9 mmmt -69.24 -20.53 63.95 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.11 0.481 . . . . 0.98 110.335 178.178 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.2 m -91.28 -5.63 54.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.846 -0.615 . . . . 1.35 110.897 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.722 HG22 ' HG2' ' A' ' 23' ' ' LYS . 30.2 mt -102.11 137.17 30.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.62 -0.264 . . . . 0.41 110.865 -177.711 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.722 ' HG2' HG22 ' A' ' 22' ' ' ILE . 8.2 ptpt 10.17 -92.77 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.039 0 O-C-N 125.175 1.547 . . . . 1.92 114.805 -175.163 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.11 24.32 3.8 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.671 -0.776 . . . . 0.5 112.502 -177.294 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.517 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 14.2 m-30 -62.4 146.14 52.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.207 0.527 . . . . 0.72 110.888 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -82.49 -44.7 15.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.435 -0.802 . . . . 1.74 110.614 -177.247 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -170.15 -167.11 30.14 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.649 -0.786 . . . . 0.25 112.226 -178.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.614 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -153.75 156.72 26.97 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 121.125 -0.559 . . . . 0.35 112.29 -178.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.535 ' CE2' ' HD2' ' A' ' 38' ' ' LYS . 2.7 p90 -157.45 151.85 25.0 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.69 -0.485 . . . . 0.89 109.69 179.1 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.497 ' SG ' ' HG2' ' A' ' 10' ' ' GLU . 3.5 m -77.55 120.96 23.24 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.055 -0.52 . . . . 0.58 109.667 -177.203 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.44 -47.9 10.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.417 -0.356 . . . . 0.42 111.921 -171.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -131.54 77.13 1.75 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.948 0.404 . . . . 2.82 111.157 -175.057 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 73.77 44.08 32.97 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.82 -0.705 . . . . 1.69 112.871 170.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.873 ' HA2' ' SG ' ' A' ' 4' ' ' CYS . . . 77.7 -36.66 1.63 Allowed Glycine 0 CA--C 1.517 0.173 0 N-CA-C 114.478 0.551 . . . . 0.89 114.478 173.455 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -51.73 -48.47 63.61 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.327 0.491 . . . . 1.09 112.327 -175.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.5 p -104.5 123.67 58.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.519 0.676 . . . . 0.79 111.517 -177.028 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.3 t -97.96 90.34 4.88 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.642 -1.163 . . . . 1.27 109.124 179.124 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.535 ' HD2' ' CE2' ' A' ' 29' ' ' TYR . 8.9 tmtm? -81.85 144.74 30.81 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.703 -0.68 . . . . 1.49 109.998 -176.723 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.3 m -115.02 151.92 33.36 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.937 0.398 . . . . 0.36 110.603 -176.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 23.7 p90 . . . . . 0 C--O 1.246 0.91 0 N-CA-C 109.375 -0.602 . . . . 1.15 109.375 -179.571 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.722 0 N-CA-C 112.132 -0.387 . . . . 2.12 112.132 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -131.84 61.13 1.66 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.25 0.548 . . . . 1.01 110.112 -178.625 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 88.33 -57.52 4.22 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.631 -0.713 . . . . 0.89 111.807 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.702 ' SG ' ' HG3' ' A' ' 10' ' ' GLU . 10.8 m -87.72 93.18 9.37 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 122.184 0.992 . . . . 1.67 111.297 -178.137 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -115.92 46.42 1.54 Allowed 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 113.606 -1.634 . . . . 1.68 109.022 176.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 100.12 160.43 28.39 Favored Glycine 0 N--CA 1.441 -0.983 0 N-CA-C 110.82 -0.912 . . . . 0.55 110.82 -171.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -45.45 -37.98 15.31 Favored 'Trans proline' 0 CA--C 1.53 0.321 0 C-N-CA 124.078 3.185 . . . . 0.72 113.773 -178.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -64.33 -32.64 74.32 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.952 -0.567 . . . . 2.6 111.614 -174.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.59 -16.57 14.32 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.408 -0.36 . . . . 2.02 110.502 -176.712 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.702 ' HG3' ' SG ' ' A' ' 4' ' ' CYS . 50.4 tt0 -36.54 117.44 0.49 Allowed 'General case' 0 C--O 1.236 0.363 0 O-C-N 124.444 1.09 . . . . 1.86 113.669 -175.359 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -135.63 106.16 6.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.975 -1.012 . . . . 2.14 108.744 174.017 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -60.25 -41.78 93.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.421 -0.809 . . . . 2.02 111.485 -173.207 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 22.9 tp -72.59 -34.63 67.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.263 -0.426 . . . . 0.54 111.564 -175.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.7 tppt? -58.1 -44.01 87.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.82 0.343 . . . . 1.82 110.163 177.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.1 t -66.39 -44.02 84.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.941 -0.572 . . . . 1.33 109.763 177.625 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.516 ' NE2' ' HD2' ' A' ' 20' ' ' LYS . 75.1 t60 -56.07 -46.26 79.04 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.558 -0.746 . . . . 0.37 109.919 176.513 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -66.42 -35.17 79.64 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.558 -0.746 . . . . 0.54 111.783 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -62.87 -50.91 69.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.775 0.321 . . . . 0.46 111.117 179.424 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.556 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 60.9 m -66.89 -31.42 72.0 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.282 -0.417 . . . . 0.43 111.616 -174.633 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.516 ' HD2' ' NE2' ' A' ' 16' ' ' HIS . 29.4 mtpp -74.38 -12.18 60.45 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.991 0.424 . . . . 0.98 111.522 -177.351 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.3 t -87.98 -4.78 58.77 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.314 0.578 . . . . 1.35 109.442 174.258 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.652 HG22 ' HG2' ' A' ' 23' ' ' LYS . 36.3 mt -102.16 154.33 5.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-N 115.614 -0.721 . . . . 0.41 109.554 178.184 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.652 ' HG2' HG22 ' A' ' 22' ' ' ILE . 2.2 ptmm? -24.36 -98.44 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 116.084 1.883 . . . . 1.92 116.084 -172.377 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -102.74 10.89 56.13 Favored Glycine 0 CA--C 1.509 -0.337 0 C-N-CA 120.511 -0.852 . . . . 0.5 112.76 -171.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.556 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 4.5 m-30 -64.43 128.85 37.56 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.727 -0.471 . . . . 0.72 109.727 179.203 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -80.6 -42.04 22.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.358 0.599 . . . . 1.74 110.346 -177.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -163.13 -172.04 30.13 Favored Glycine 0 N--CA 1.439 -1.152 0 CA-C-N 115.369 -0.832 . . . . 0.25 111.5 -179.17 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.513 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -146.17 153.95 25.64 Favored Glycine 0 N--CA 1.444 -0.81 0 N-CA-C 111.212 -0.755 . . . . 0.35 111.212 178.563 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.589 ' CE2' ' HD2' ' A' ' 38' ' ' LYS . 12.7 p90 -152.82 154.67 35.62 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.231 0.539 . . . . 0.89 110.267 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.644 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 9.7 m -90.89 90.52 7.94 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 121.657 0.742 . . . . 0.58 109.631 -177.771 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.478 ' HB3' ' CG2' ' A' ' 36' ' ' VAL . . . -59.44 -57.01 14.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.205 -1.361 . . . . 0.42 112.719 -167.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -88.87 40.39 0.97 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.574 -0.284 . . . . 2.82 111.444 -173.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 70.45 47.59 41.85 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.47 -0.871 . . . . 1.69 112.331 175.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.93 -13.31 67.96 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.617 -0.802 . . . . 0.89 113.376 176.138 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -79.29 -22.43 44.63 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 117.155 0.477 . . . . 1.09 112.2 -176.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.644 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 1.7 m -132.5 152.06 35.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.267 -0.573 . . . . 0.79 110.767 178.729 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 48.5 t -111.51 93.15 4.32 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.669 -0.696 . . . . 1.27 109.19 171.352 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.589 ' HD2' ' CE2' ' A' ' 29' ' ' TYR . 8.5 tmtm? -97.86 148.36 23.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.328 -0.396 . . . . 1.49 110.261 -177.201 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 22.2 m -117.42 153.76 32.53 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.349 -0.387 . . . . 0.36 110.53 -177.36 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 10.3 p90 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.369 -0.824 . . . . 1.15 109.928 -179.723 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.531 ' HA3' ' OD1' ' A' ' 5' ' ' ASN . . . . . . . . 0 N--CA 1.48 1.597 0 N-CA-C 112.054 -0.419 . . . . 2.12 112.054 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -124.07 8.57 8.62 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.075 0.464 . . . . 1.01 110.311 -179.235 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 143.4 -58.39 0.54 Allowed Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.288 -0.725 . . . . 0.89 111.288 -172.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.592 ' HA ' ' HA ' ' A' ' 10' ' ' GLU . 33.8 m -81.24 71.91 8.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.651 0.739 . . . . 1.67 109.274 174.615 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.531 ' OD1' ' HA3' ' A' ' 1' ' ' GLY . 15.7 m-20 -91.61 39.6 1.01 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.648 -0.705 . . . . 1.68 109.959 -176.772 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 102.31 161.7 26.3 Favored Glycine 0 N--CA 1.443 -0.892 0 N-CA-C 110.683 -0.967 . . . . 0.55 110.683 -172.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -46.41 -42.99 22.51 Favored 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 123.718 2.946 . . . . 0.72 113.715 -175.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -67.74 -30.38 69.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.177 -0.465 . . . . 2.6 111.743 -174.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -105.26 -12.23 16.17 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.307 -0.406 . . . . 2.02 110.573 -173.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.592 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 0.6 OUTLIER -45.72 108.06 0.12 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.872 -1.058 . . . . 1.86 112.522 -174.588 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -114.39 137.68 51.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.58 -0.737 . . . . 2.14 109.98 176.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -77.51 -31.74 53.7 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.163 -0.926 . . . . 2.02 112.294 -169.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.5 tp -100.28 -29.74 12.27 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 112.002 0.371 . . . . 0.54 112.002 -173.296 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -54.23 -48.66 70.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.754 0.311 . . . . 1.82 111.803 -177.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.415 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 39.9 m -78.52 -24.59 45.68 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.38 -0.528 . . . . 1.33 111.254 -176.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.706 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 61.6 t60 -64.33 -50.74 66.57 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.56 -0.904 . . . . 0.37 108.56 169.346 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 55.9 m-20 -57.18 -38.84 74.2 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.122 -0.945 . . . . 0.54 112.006 178.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.51 ' CE1' HD11 ' A' ' 22' ' ' ILE . 16.5 t60 -59.48 -47.6 84.88 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.305 -0.407 . . . . 0.46 110.936 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.573 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 31.3 m -71.71 -20.07 61.97 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.454 -0.339 . . . . 0.43 110.994 -176.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.706 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 1.9 mmmp? -65.18 -26.81 68.32 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.885 0.374 . . . . 0.98 110.695 -179.39 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.4 m -97.71 6.92 47.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.959 -0.564 . . . . 1.35 111.291 -177.09 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.676 HG22 ' HG2' ' A' ' 23' ' ' LYS . 32.7 mt -106.22 136.88 39.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 110.08 -0.341 . . . . 0.41 110.08 175.56 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.676 ' HG2' HG22 ' A' ' 22' ' ' ILE . 8.6 ptpt 9.53 -97.93 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.045 0 O-C-N 125.111 1.507 . . . . 1.92 114.556 -174.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -126.65 29.21 4.52 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.687 -0.768 . . . . 0.5 112.428 -178.344 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.573 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 13.8 m-30 -70.1 132.73 46.28 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.906 0.384 . . . . 0.72 109.998 177.032 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -83.24 -37.2 23.87 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.809 -0.632 . . . . 1.74 111.112 -175.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -163.22 -178.69 37.18 Favored Glycine 0 N--CA 1.441 -0.975 0 C-N-CA 120.404 -0.903 . . . . 0.25 112.037 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.536 ' HA3' ' SG ' ' A' ' 19' ' ' CYS . . . -151.87 151.36 23.27 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 121.054 -0.593 . . . . 0.35 111.806 -179.456 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -159.53 158.69 32.27 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.797 0.332 . . . . 0.89 110.348 -176.093 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.71 119.62 20.75 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.943 -0.762 . . . . 0.58 108.943 177.225 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.79 -43.03 11.55 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 111.786 0.291 . . . . 0.42 111.786 -174.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -117.01 80.62 1.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.693 -0.403 . . . . 2.82 111.849 -175.314 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.16 33.65 48.91 Favored Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 121.168 -0.539 . . . . 1.69 113.641 167.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.0 24.07 67.51 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.355 -0.926 . . . . 0.89 112.853 179.032 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -111.67 -83.5 0.58 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.897 0.379 . . . . 1.09 111.795 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.418 HG12 ' H ' ' A' ' 36' ' ' VAL . 1.6 p -70.56 115.55 10.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.617 0.722 . . . . 0.79 111.921 -174.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.511 ' SG ' ' HB2' ' A' ' 4' ' ' CYS . 76.6 m -83.57 89.77 7.15 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.576 -1.193 . . . . 1.27 110.618 176.039 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.536 ' HG2' ' N ' ' A' ' 39' ' ' CYS . 35.7 tttp -73.18 158.86 34.44 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.025 -0.989 . . . . 1.49 109.73 176.149 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.536 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 32.1 m -129.32 158.5 38.94 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.473 -0.936 . . . . 0.36 108.473 178.711 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 9.9 p90 . . . . . 0 C--O 1.244 0.77 0 CA-C-O 118.972 -0.537 . . . . 1.15 110.617 179.738 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.593 0 N-CA-C 112.074 -0.41 . . . . 2.12 112.074 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -121.87 15.73 10.91 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.16 0.505 . . . . 1.01 110.354 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.468 ' C ' ' HB2' ' A' ' 11' ' ' ASP . . . 151.82 -71.69 0.29 Allowed Glycine 0 N--CA 1.444 -0.776 0 CA-C-N 115.456 -0.793 . . . . 0.89 111.438 -177.23 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.4 m -67.89 106.4 2.29 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-O 120.946 0.403 . . . . 1.67 110.106 178.027 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.453 ' HB2' ' HG3' ' A' ' 9' ' ' GLN . 88.7 m-20 -107.98 42.59 1.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.969 -0.56 . . . . 1.68 110.376 178.642 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 121.16 169.81 13.85 Favored Glycine 0 N--CA 1.443 -0.872 0 C-N-CA 120.826 -0.702 . . . . 0.55 111.899 -177.326 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -49.78 -62.35 0.43 Allowed 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 123.812 3.008 . . . . 0.72 113.257 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.463 ' CD1' ' HG2' ' A' ' 9' ' ' GLN . 0.2 OUTLIER -54.11 -26.8 29.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.369 -0.832 . . . . 2.6 112.255 -178.744 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.463 ' HG2' ' CD1' ' A' ' 8' ' ' TRP . 14.7 mm-40 -82.36 -73.86 0.37 Allowed 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.047 -0.524 . . . . 2.02 109.627 178.321 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 39.28 59.13 1.79 Allowed 'General case' 0 C--O 1.235 0.305 0 O-C-N 123.868 0.73 . . . . 1.86 112.315 -177.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.468 ' HB2' ' C ' ' A' ' 3' ' ' GLY . 1.4 m-20 -75.04 69.78 1.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.507 -0.77 . . . . 2.14 109.646 174.34 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -53.66 -50.38 65.9 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.541 -1.209 . . . . 2.02 111.412 -176.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.401 ' O ' ' HB3' ' A' ' 16' ' ' HIS . 24.5 tp -66.73 -33.68 76.16 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.321 -0.854 . . . . 0.54 111.918 -175.587 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -37.56 77.75 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.681 -0.488 . . . . 1.82 109.681 179.551 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.42 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 67.6 m -71.04 -37.23 72.56 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 109.932 -0.396 . . . . 1.33 109.932 174.415 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.71 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 31.6 t60 -54.68 -57.96 9.42 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.615 -0.513 . . . . 0.37 109.615 171.059 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -59.3 -30.57 68.43 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.2 -0.909 . . . . 0.54 111.924 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.436 ' CE1' HD11 ' A' ' 22' ' ' ILE . 16.8 t60 -64.4 -49.7 70.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.713 0.292 . . . . 0.46 110.333 174.213 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.628 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 37.8 m -65.4 -30.7 71.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.366 -0.379 . . . . 0.43 110.633 -179.073 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.71 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 27.7 mmmt -55.63 -39.73 71.23 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.207 0.527 . . . . 0.98 110.7 178.044 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.5 m -82.28 -2.66 53.35 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.587 -0.733 . . . . 1.35 111.567 -176.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.551 HG22 ' HG2' ' A' ' 23' ' ' LYS . 39.0 mt -96.23 136.3 27.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.761 -0.459 . . . . 0.41 109.761 176.604 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.551 ' HG2' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER 10.88 -93.76 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.019 0 O-C-N 125.123 1.515 . . . . 1.92 114.319 -174.056 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.03 31.2 2.95 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.734 -0.746 . . . . 0.5 112.228 -178.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.628 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 13.3 m-30 -67.08 141.32 57.52 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.99 0.424 . . . . 0.72 110.528 178.809 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -87.17 -41.79 13.49 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.654 -0.703 . . . . 1.74 111.44 -174.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -160.62 -178.98 35.08 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.353 -0.927 . . . . 0.25 112.22 -178.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.476 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -156.83 151.65 23.03 Favored Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 111.732 -0.547 . . . . 0.35 111.732 -178.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.0 p90 -162.65 157.86 22.44 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.839 0.32 . . . . 0.89 110.675 -175.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.517 ' CB ' ' HA2' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -74.58 119.73 19.18 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.974 -0.75 . . . . 0.58 108.974 176.442 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.502 ' HB3' HG13 ' A' ' 36' ' ' VAL . . . -87.34 -49.74 7.04 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.131 0.419 . . . . 0.42 112.131 -172.551 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -117.73 79.45 1.36 Allowed 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.104 0.409 . . . . 2.82 112.104 -174.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.26 27.55 51.87 Favored Glycine 0 C--O 1.227 -0.301 0 C-N-CA 121.086 -0.578 . . . . 1.69 113.174 169.086 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.517 ' HA2' ' CB ' ' A' ' 30' ' ' CYS . . . 78.87 14.54 81.91 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.465 -0.874 . . . . 0.89 112.959 179.419 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -94.61 -74.06 0.56 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.241 0.543 . . . . 1.09 111.482 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.502 HG13 ' HB3' ' A' ' 31' ' ' ALA . 2.1 p -81.32 134.37 27.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.753 -0.658 . . . . 0.79 111.071 -178.651 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.42 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 66.5 m -106.55 101.35 10.81 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.553 0.692 . . . . 1.27 109.854 176.58 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.494 ' HG2' ' N ' ' A' ' 39' ' ' CYS . 38.9 tttp -82.62 160.5 22.46 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.775 -1.102 . . . . 1.49 109.931 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.494 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 29.9 m -131.91 152.64 50.93 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.969 -0.752 . . . . 0.36 108.969 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 31.8 p90 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 119.117 -0.468 . . . . 1.15 110.397 -179.948 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 . . . . . 0 N--CA 1.464 0.267 0 CA-C-O 121.143 0.497 . . . . 1.01 112.012 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.481 ' HA3' ' HB3' ' A' ' 14' ' ' LYS . . . 84.48 -36.42 2.95 Favored Glycine 0 N--CA 1.452 -0.238 0 CA-C-N 115.809 -0.632 . . . . 0.89 113.595 173.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.85 ' SG ' ' HG2' ' A' ' 10' ' ' GLU . 13.3 t -76.69 -57.46 3.84 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.053 -0.721 . . . . 1.67 109.053 177.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 26.9 m120 69.78 -46.12 0.59 Allowed 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.872 1.064 . . . . 1.68 113.872 169.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 174.96 -177.94 46.86 Favored Glycine 0 N--CA 1.442 -0.935 0 N-CA-C 111.646 -0.581 . . . . 0.55 111.646 -176.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -61.51 -34.22 86.04 Favored 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.823 2.349 . . . . 0.72 112.818 -175.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 2.1 m95 -56.75 -42.65 79.69 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.253 -0.885 . . . . 2.6 110.955 -174.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -105.83 -75.76 0.62 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.724 -0.671 . . . . 2.02 110.281 179.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.85 ' HG2' ' SG ' ' A' ' 4' ' ' CYS . 1.4 tm-20 58.13 74.98 0.4 Allowed 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 123.805 0.691 . . . . 1.86 112.091 176.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.51 ' H ' ' HA ' ' A' ' 4' ' ' CYS . 8.5 m-20 -97.42 99.21 10.64 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.61 -0.723 . . . . 2.14 109.355 170.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -60.2 -40.19 89.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.778 -0.646 . . . . 2.02 111.328 -175.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.7 tp -64.87 -30.61 71.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.276 -0.42 . . . . 0.54 111.156 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.481 ' HB3' ' HA3' ' A' ' 3' ' ' GLY . 25.3 mmmt -63.04 -44.22 96.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.975 0.417 . . . . 1.82 110.058 175.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.8 t -62.71 -47.38 83.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.667 -0.697 . . . . 1.33 109.446 175.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.728 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 47.6 t60 -51.97 -55.11 22.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.418 -0.81 . . . . 0.37 110.285 175.306 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -58.06 -37.03 73.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.465 -0.789 . . . . 0.54 112.375 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -60.31 -45.96 91.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.983 0.42 . . . . 0.46 110.323 177.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.53 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 23.7 m -69.83 -25.53 63.79 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.936 -0.575 . . . . 0.43 110.821 -178.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.728 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 27.8 mmmt -63.65 -31.33 72.47 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.21 0.528 . . . . 0.98 110.547 179.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.1 m -82.35 -6.54 59.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.667 -0.697 . . . . 1.35 111.2 -178.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.421 HG22 ' HG2' ' A' ' 23' ' ' LYS . 27.3 mt -96.98 144.67 10.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.898 -0.408 . . . . 0.41 109.898 179.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.421 ' HG2' HG22 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -6.32 -92.47 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 115.196 1.554 . . . . 1.92 115.196 -174.766 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -126.4 30.68 4.21 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.706 -0.759 . . . . 0.5 112.335 -176.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.53 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 8.5 m-30 -73.14 135.07 44.65 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.078 0.466 . . . . 0.72 109.86 177.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -82.12 -47.33 12.68 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.65 -0.704 . . . . 1.74 111.016 -174.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -158.24 -176.13 29.95 Favored Glycine 0 N--CA 1.44 -1.056 0 C-N-CA 120.58 -0.819 . . . . 0.25 111.541 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.49 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -148.04 149.94 22.08 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.5 -0.857 . . . . 0.35 112.103 -178.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.58 ' CE2' ' HD2' ' A' ' 38' ' ' LYS . 25.9 p90 -146.44 150.17 35.1 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.087 0.47 . . . . 0.89 110.28 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.41 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 3.4 m -75.06 118.86 18.47 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 109.064 -0.717 . . . . 0.58 109.064 177.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.475 ' HB3' HG13 ' A' ' 36' ' ' VAL . . . -84.47 -46.74 11.34 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.036 0.384 . . . . 0.42 112.036 -172.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -121.89 70.47 0.96 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 111.941 0.349 . . . . 2.82 111.941 -174.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 73.49 45.68 28.54 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.77 -0.729 . . . . 1.69 112.665 171.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.834 ' HA2' ' SG ' ' A' ' 4' ' ' CYS . . . 82.41 -31.6 2.92 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.964 -0.636 . . . . 0.89 113.717 176.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -54.63 -67.44 0.27 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.51 0.559 . . . . 1.09 112.51 -174.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.475 HG13 ' HB3' ' A' ' 31' ' ' ALA . 2.1 p -91.85 131.52 38.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 121.321 0.581 . . . . 0.79 112.162 -173.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.5 t -97.21 97.69 9.38 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.875 -1.057 . . . . 1.27 109.943 178.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.58 ' HD2' ' CE2' ' A' ' 29' ' ' TYR . 9.3 tmtm? -90.29 143.85 26.38 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.905 -0.589 . . . . 1.49 110.106 179.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.406 ' N ' ' HD3' ' A' ' 38' ' ' LYS . 35.9 m -123.74 156.86 35.23 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.013 -0.54 . . . . 0.36 110.287 -174.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 13.5 p90 . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.341 -0.838 . . . . 1.15 110.449 179.056 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 . . . . . 0 CA--C 1.522 -0.133 0 CA-C-O 120.902 0.382 . . . . 1.01 111.098 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 170.59 -79.65 0.09 OUTLIER Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.618 -0.801 . . . . 0.89 112.139 -177.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.416 ' O ' ' HB2' ' A' ' 5' ' ' ASN . 39.1 m -55.91 -54.84 39.76 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 111.452 0.167 . . . . 1.67 111.452 -177.113 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' A' ' 4' ' ' CYS . 32.2 m-80 71.11 -50.31 0.68 Allowed 'General case' 0 C--N 1.342 0.249 0 C-N-CA 123.751 0.82 . . . . 1.68 112.649 176.09 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -178.24 151.67 10.83 Favored Glycine 0 N--CA 1.44 -1.098 0 N-CA-C 111.04 -0.824 . . . . 0.55 111.04 -177.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -41.21 -38.69 3.47 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 124.532 3.488 . . . . 0.72 114.169 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -53.74 -42.83 68.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.491 -0.777 . . . . 2.6 111.168 -175.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.448 ' HG3' ' H ' ' A' ' 10' ' ' GLU . 6.9 pt20 -108.98 -56.6 2.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.769 -0.65 . . . . 2.02 110.419 -179.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.448 ' H ' ' HG3' ' A' ' 9' ' ' GLN . 7.7 tt0 50.95 61.6 3.16 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.77 -0.65 . . . . 1.86 111.886 175.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.492 ' HB3' ' HB2' ' A' ' 14' ' ' LYS . 14.4 m-20 -72.21 90.2 1.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 2.14 110.346 178.125 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -63.91 -55.26 23.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.514 -0.767 . . . . 2.02 111.827 -174.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 45.1 tp -68.03 -30.5 69.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.407 -0.36 . . . . 0.54 111.081 -175.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.492 ' HB2' ' HB3' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -67.45 -35.2 78.74 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.771 -0.455 . . . . 1.82 109.771 177.92 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 52.7 t -65.63 -46.72 78.15 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.148 -0.686 . . . . 1.33 109.148 173.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.717 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 58.0 t60 -53.23 -52.48 58.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.197 -0.91 . . . . 0.37 110.297 175.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -61.83 -32.17 72.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.637 -0.71 . . . . 0.54 112.462 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.487 ' CE1' HD11 ' A' ' 22' ' ' ILE . 16.2 t60 -61.11 -47.17 87.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.045 0.45 . . . . 0.46 109.841 175.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.533 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 34.9 m -69.64 -27.46 65.07 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.893 -0.594 . . . . 0.43 110.797 -178.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.717 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 1.9 mmmp? -61.83 -30.89 71.14 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 121.391 0.615 . . . . 0.98 110.283 177.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.1 m -89.67 2.95 54.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.277 -0.874 . . . . 1.35 111.253 -175.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.619 HG22 ' HG2' ' A' ' 23' ' ' LYS . 31.0 mt -105.23 135.84 41.62 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 CA-C-N 116.414 -0.357 . . . . 0.41 110.091 175.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.619 ' HG2' HG22 ' A' ' 22' ' ' ILE . 1.6 ptpp? 7.87 -100.09 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.061 0 O-C-N 125.186 1.554 . . . . 1.92 114.624 -174.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.24 30.24 4.82 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.759 -0.734 . . . . 0.5 112.414 -177.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.533 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 12.1 m-30 -65.7 149.97 49.26 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.122 0.487 . . . . 0.72 110.349 177.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.501 ' HB3' ' OXT' ' A' ' 40' ' ' TYR . 58.5 tttp -89.53 -49.18 6.83 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.76 -0.655 . . . . 1.74 110.72 -175.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -163.89 -172.72 31.72 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.326 -0.94 . . . . 0.25 112.422 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.455 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -145.93 156.6 27.05 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 121.138 -0.554 . . . . 0.35 111.806 179.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.473 ' CE2' ' HD3' ' A' ' 38' ' ' LYS . 13.9 p90 -157.78 161.94 38.46 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.16 0.505 . . . . 0.89 110.884 -177.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.487 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 3.6 m -82.97 108.78 16.53 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.679 -0.691 . . . . 0.58 110.043 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.47 ' HB3' ' CG2' ' A' ' 36' ' ' VAL . . . -80.17 -62.04 1.8 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.34 0.59 . . . . 0.42 111.159 -176.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.674 ' HB3' HG13 ' A' ' 36' ' ' VAL . 51.3 tptt -88.27 54.21 2.99 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.907 -0.588 . . . . 2.82 111.193 -175.081 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.76 34.23 86.68 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.974 -0.631 . . . . 1.69 113.122 171.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.487 ' HA2' ' HB3' ' A' ' 30' ' ' CYS . . . 100.04 -26.97 22.46 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.481 -0.866 . . . . 0.89 113.117 177.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -67.67 -19.59 65.2 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.259 0.466 . . . . 1.09 112.259 -174.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.674 HG13 ' HB3' ' A' ' 32' ' ' LYS . 1.3 m -126.99 161.94 32.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.538 -0.465 . . . . 0.79 110.483 -179.048 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 40.6 t -124.47 98.8 5.9 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.932 -0.766 . . . . 1.27 108.932 175.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.598 ' HG2' ' N ' ' A' ' 39' ' ' CYS . 45.6 tttp -94.71 160.83 14.44 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.368 -0.378 . . . . 1.49 110.228 -178.289 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.598 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 62.4 m -126.15 158.93 34.27 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.89 -0.411 . . . . 0.36 109.89 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.501 ' OXT' ' HB3' ' A' ' 26' ' ' LYS . 34.0 p90 . . . . . 0 C--O 1.248 0.979 0 N-CA-C 109.138 -0.69 . . . . 1.15 109.138 176.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 . . . . . 0 N--CA 1.454 -0.232 0 CA-C-O 121.321 0.582 . . . . 1.01 110.385 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 102.33 -57.7 0.61 Allowed Glycine 0 N--CA 1.444 -0.806 0 CA-C-N 115.561 -0.745 . . . . 0.89 111.416 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.6 m -70.74 103.69 2.65 Favored 'General case' 0 N--CA 1.441 -0.906 0 N-CA-C 109.874 -0.417 . . . . 1.67 109.874 177.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.533 ' H ' ' HB2' ' A' ' 9' ' ' GLN . 15.8 m120 -117.62 38.24 3.67 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.449 0.642 . . . . 1.68 109.888 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 120.11 162.27 11.8 Favored Glycine 0 N--CA 1.441 -0.998 0 N-CA-C 110.8 -0.92 . . . . 0.55 110.8 -174.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.56 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 2.9 Cg_endo -49.77 -34.58 36.38 Favored 'Trans proline' 0 CA--C 1.528 0.212 0 C-N-CA 123.427 2.752 . . . . 0.72 113.149 179.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 3.0 m95 -82.85 -15.62 50.81 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.842 -0.617 . . . . 2.6 111.329 -174.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.533 ' HB2' ' H ' ' A' ' 5' ' ' ASN . 0.0 OUTLIER -108.18 -2.4 19.44 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.22 -0.445 . . . . 2.02 110.107 -176.449 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.502 ' HG2' ' SG ' ' A' ' 30' ' ' CYS . 0.3 OUTLIER -41.56 115.71 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.629 -1.168 . . . . 1.86 111.761 177.784 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -137.19 116.64 12.79 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.887 -0.597 . . . . 2.14 109.805 177.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -63.9 -44.78 91.93 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.764 -1.107 . . . . 2.02 111.627 -176.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.0 tp -72.79 -36.41 67.58 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 111.974 0.361 . . . . 0.54 111.974 -172.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -60.15 -45.92 91.42 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.799 0.333 . . . . 1.82 110.527 177.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.1 t -67.91 -40.41 83.4 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.508 -0.553 . . . . 1.33 109.508 177.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.716 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 49.6 t60 -55.34 -53.3 57.93 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 115.821 -0.627 . . . . 0.37 110.031 175.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 58.2 m-20 -56.48 -37.78 70.83 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.097 -0.956 . . . . 0.54 111.98 -179.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.509 ' CE1' HD11 ' A' ' 22' ' ' ILE . 9.4 t60 -60.53 -47.22 87.12 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.098 0.475 . . . . 0.46 110.767 176.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.44 ' SG ' ' HA3' ' A' ' 28' ' ' GLY . 30.9 m -69.98 -17.15 63.28 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.866 -0.606 . . . . 0.43 111.092 -176.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.716 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 28.1 mmmt -71.21 -24.6 62.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.102 0.477 . . . . 0.98 110.54 -179.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.0 t -86.32 -11.96 50.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.856 -0.611 . . . . 1.35 110.373 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.69 HG22 ' HG2' ' A' ' 23' ' ' LYS . 21.6 mt -97.44 139.49 19.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.541 -0.3 . . . . 0.41 110.402 -178.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.69 ' HG2' HG22 ' A' ' 22' ' ' ILE . 4.2 ptmm? -1.31 -95.73 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 115.332 1.604 . . . . 1.92 115.332 -172.267 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.11 20.27 7.14 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.565 -0.826 . . . . 0.5 112.53 -175.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.425 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 12.4 m-30 -61.82 124.66 21.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.112 0.482 . . . . 0.72 109.756 177.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -67.57 -45.76 74.66 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.519 -0.764 . . . . 1.74 110.805 -175.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -166.15 -166.36 25.05 Favored Glycine 0 N--CA 1.438 -1.211 0 CA-C-N 115.42 -0.809 . . . . 0.25 111.314 -178.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.529 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -154.0 171.77 32.66 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.376 -0.916 . . . . 0.35 112.546 -177.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -169.07 157.09 7.6 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.631 -0.507 . . . . 0.89 109.631 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.528 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 5.6 m -75.25 109.32 8.66 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.867 -0.79 . . . . 0.58 108.867 177.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.454 ' HB3' HG13 ' A' ' 36' ' ' VAL . . . -68.8 -44.18 74.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.42 111.844 -169.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -127.72 82.96 2.12 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.26 -0.427 . . . . 2.82 110.981 -175.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.56 ' O ' ' HA ' ' A' ' 7' ' ' PRO . . . 86.97 -53.54 4.5 Favored Glycine 0 N--CA 1.452 -0.3 0 CA-C-N 115.894 -0.593 . . . . 1.69 112.371 170.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.528 ' HA2' ' HB3' ' A' ' 30' ' ' CYS . . . 159.7 31.7 0.02 OUTLIER Glycine 0 C--O 1.22 -0.752 0 C-N-CA 121.035 -0.602 . . . . 0.89 112.037 179.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -109.48 -59.73 1.87 Allowed 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 121.32 0.581 . . . . 1.09 110.577 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.454 HG13 ' HB3' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -88.2 130.1 38.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 115.327 -0.852 . . . . 0.79 111.286 -175.85 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 47.6 t -95.1 91.66 6.44 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.36 -0.836 . . . . 1.27 108.927 177.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -82.47 142.1 32.17 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.365 -0.834 . . . . 1.49 110.494 -178.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 57.2 m -124.84 157.86 34.85 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.489 -0.778 . . . . 0.36 109.31 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.246 0.871 0 CA-C-O 119.063 -0.494 . . . . 1.15 110.857 178.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 . . . . . 0 N--CA 1.456 -0.153 0 CA-C-O 120.777 0.322 . . . . 1.01 111.205 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.418 ' O ' ' HB2' ' A' ' 11' ' ' ASP . . . 157.4 -59.48 0.35 Allowed Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.06 -1.067 . . . . 0.89 112.798 179.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 47.9 m -57.36 -62.82 1.5 Allowed 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 122.135 0.174 . . . . 1.67 111.01 -178.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.431 HD22 ' HA ' ' A' ' 5' ' ' ASN . 5.0 m120 57.46 44.69 20.94 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.307 0.484 . . . . 1.68 112.307 175.335 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 86.25 152.75 21.16 Favored Glycine 0 N--CA 1.444 -0.819 0 C-N-CA 120.727 -0.749 . . . . 0.55 112.801 175.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -47.86 -32.34 17.19 Favored 'Trans proline' 0 CA--C 1.53 0.3 0 C-N-CA 124.397 3.398 . . . . 0.72 114.028 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -48.97 -48.37 43.3 Favored 'General case' 0 CA--C 1.521 -0.172 0 C-N-CA 123.696 0.798 . . . . 2.6 110.392 -176.127 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -109.57 -54.78 2.51 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.069 -0.969 . . . . 2.02 110.384 179.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 48.08 58.16 5.38 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 123.748 0.655 . . . . 1.86 111.198 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.475 ' HB3' ' HB2' ' A' ' 14' ' ' LYS . 21.4 m-20 -72.7 93.02 1.59 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.88 -0.6 . . . . 2.14 110.659 -178.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -56.88 -54.23 48.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.665 -1.152 . . . . 2.02 112.165 -176.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 25.8 tp -66.39 -30.02 70.3 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.346 -0.388 . . . . 0.54 111.125 -175.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.475 ' HB2' ' HB3' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -64.02 -39.87 95.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.704 0.287 . . . . 1.82 110.357 177.647 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.2 t -63.57 -45.84 88.65 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.302 -0.629 . . . . 1.33 109.302 175.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.697 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 45.3 t60 -54.56 -53.8 49.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.403 -0.817 . . . . 0.37 110.29 175.263 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -60.86 -31.32 70.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.455 -0.793 . . . . 0.54 112.48 -178.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.452 ' CE1' HD11 ' A' ' 22' ' ' ILE . 7.5 t60 -62.67 -48.53 78.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.057 0.456 . . . . 0.46 109.986 175.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.49 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 36.5 m -67.55 -23.73 65.46 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.721 -0.672 . . . . 0.43 110.794 -178.273 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.697 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 2.0 mmmp? -66.15 -23.67 66.52 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.315 0.579 . . . . 0.98 110.51 178.165 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.5 m -90.61 2.38 55.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.509 -0.769 . . . . 1.35 110.726 -178.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.765 HG22 ' HG2' ' A' ' 23' ' ' LYS . 22.0 mt -108.95 137.51 40.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 116.341 -0.391 . . . . 0.41 110.586 178.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.765 ' HG2' HG22 ' A' ' 22' ' ' ILE . 9.5 ptpt 5.16 -96.65 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.571 1.548 . . . . 1.92 115.031 -175.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -126.43 29.59 4.48 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.838 -0.696 . . . . 0.5 112.046 -178.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.49 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 12.8 m-30 -68.54 130.32 42.5 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.236 0.541 . . . . 0.72 110.305 177.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.507 ' HB3' ' OXT' ' A' ' 40' ' ' TYR . 50.1 tttp -76.06 -42.04 48.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.326 -0.852 . . . . 1.74 111.169 -174.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -165.48 -173.78 34.38 Favored Glycine 0 N--CA 1.441 -0.98 0 C-N-CA 120.409 -0.9 . . . . 0.25 112.151 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.484 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -149.03 152.47 24.48 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 121.017 -0.611 . . . . 0.35 111.887 -179.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.521 ' CE2' ' HD2' ' A' ' 38' ' ' LYS . 15.2 p90 -151.7 154.92 37.27 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.881 0.372 . . . . 0.89 110.417 -178.153 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.463 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 4.3 m -75.17 108.82 8.18 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.821 -0.807 . . . . 0.58 108.821 176.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.526 ' HB3' HG13 ' A' ' 36' ' ' VAL . . . -73.25 -47.59 41.85 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.105 0.409 . . . . 0.42 112.105 -170.28 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 43.3 mmtm -134.74 82.77 1.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.006 0.432 . . . . 2.82 111.893 -175.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.98 29.97 21.66 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.589 -0.815 . . . . 1.69 113.851 165.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.463 ' HA2' ' HB3' ' A' ' 30' ' ' CYS . . . 73.29 9.8 77.73 Favored Glycine 0 C--O 1.225 -0.406 0 C-N-CA 120.519 -0.848 . . . . 0.89 113.016 178.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -94.47 -63.69 1.15 Allowed 'General case' 0 C--N 1.32 -0.677 0 O-C-N 122.372 -0.487 . . . . 1.09 111.342 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.526 HG13 ' HB3' ' A' ' 31' ' ' ALA . 1.4 p -87.58 130.13 37.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.219 0.533 . . . . 0.79 111.744 -174.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.2 t -97.14 93.68 6.7 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.161 -0.927 . . . . 1.27 109.188 178.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.521 ' HD2' ' CE2' ' A' ' 29' ' ' TYR . 9.4 tmtm? -92.08 142.77 27.15 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.715 -0.675 . . . . 1.49 110.227 -177.149 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 27.4 m -118.71 154.65 32.41 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.852 -0.613 . . . . 0.36 110.499 -176.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.507 ' OXT' ' HB3' ' A' ' 26' ' ' LYS . 5.4 p90 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.362 -0.828 . . . . 1.15 110.198 178.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 . . . . . 0 N--CA 1.462 0.174 0 CA-C-O 121.266 0.555 . . . . 1.01 111.696 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.426 ' HA3' ' HB3' ' A' ' 14' ' ' LYS . . . 75.84 37.89 37.84 Favored Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 115.541 -0.754 . . . . 0.89 113.419 174.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.832 ' SG ' ' HA2' ' A' ' 34' ' ' GLY . 7.7 t -138.61 -70.47 0.42 Allowed 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.556 -0.458 . . . . 1.67 110.159 174.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 51.09 44.85 28.47 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 113.238 0.829 . . . . 1.68 113.238 173.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 91.91 160.51 36.18 Favored Glycine 0 N--CA 1.442 -0.923 0 C-N-CA 120.439 -0.886 . . . . 0.55 112.273 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -46.04 -33.08 10.72 Favored 'Trans proline' 0 CA--C 1.53 0.32 0 C-N-CA 124.145 3.23 . . . . 0.72 113.76 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 4.5 m95 -64.95 -37.94 89.33 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.82 -0.627 . . . . 2.6 111.728 -173.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.37 -9.01 13.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.702 -0.226 . . . . 2.02 111.158 -175.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.585 ' HG2' ' SG ' ' A' ' 4' ' ' CYS . 1.4 tm-20 -36.67 102.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 124.566 1.146 . . . . 1.86 112.385 177.332 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -95.75 -11.9 26.24 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.021 -0.536 . . . . 2.14 111.274 -178.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.5 t70 66.34 -74.75 0.06 Allowed 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 123.584 0.754 . . . . 2.02 112.473 -177.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.8 tp -59.45 -35.3 73.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.046 -0.525 . . . . 0.54 111.802 -174.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.426 ' HB3' ' HA3' ' A' ' 3' ' ' GLY . 2.9 mmmm -57.61 -37.22 72.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.83 0.348 . . . . 1.82 110.857 178.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 50.7 t -70.57 -41.85 71.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.242 0.544 . . . . 1.33 109.639 178.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.678 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 55.9 t60 -57.01 -49.3 76.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.602 -0.726 . . . . 0.37 109.862 174.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -60.61 -32.36 71.49 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.227 -0.897 . . . . 0.54 111.986 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.464 ' CE1' HD11 ' A' ' 22' ' ' ILE . 7.6 t60 -60.99 -48.38 82.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.027 0.441 . . . . 0.46 110.477 177.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.471 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 33.8 m -73.33 -15.86 61.38 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.011 -0.541 . . . . 0.43 111.31 -175.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.678 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 1.4 mmmp? -69.46 -26.38 64.55 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.385 0.612 . . . . 0.98 109.984 177.56 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.3 t -88.14 -3.71 58.84 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.443 -0.799 . . . . 1.35 110.397 -177.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.56 HG22 ' HG2' ' A' ' 23' ' ' LYS . 37.9 mt -98.85 143.57 13.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.104 -0.498 . . . . 0.41 110.114 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.56 ' HG2' HG22 ' A' ' 22' ' ' ILE . 1.6 ptpp? -4.76 -95.63 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 115.208 1.559 . . . . 1.92 115.208 -174.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -125.82 28.35 4.94 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.484 -0.865 . . . . 0.5 112.104 -177.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.471 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 10.6 m-30 -65.86 143.76 57.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.877 0.37 . . . . 0.72 110.381 178.172 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -82.02 -41.95 19.98 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.807 -0.633 . . . . 1.74 110.93 -176.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -172.9 -170.01 36.1 Favored Glycine 0 N--CA 1.442 -0.925 0 C-N-CA 120.807 -0.711 . . . . 0.25 111.42 -178.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.554 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -150.53 162.54 29.34 Favored Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.762 -0.732 . . . . 0.35 111.864 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -164.62 151.52 11.14 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.092 0.472 . . . . 0.89 110.162 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.507 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 38.0 m -76.23 106.19 7.71 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.16 -0.682 . . . . 0.58 109.16 177.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.73 -39.23 73.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.189 -0.46 . . . . 0.42 111.541 -169.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -122.55 72.5 1.07 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.292 -0.413 . . . . 2.82 111.262 -178.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.2 -38.98 2.04 Favored Glycine 0 C--O 1.228 -0.258 0 C-N-CA 121.155 -0.545 . . . . 1.69 113.159 171.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.832 ' HA2' ' SG ' ' A' ' 4' ' ' CYS . . . 160.57 -12.26 0.16 Allowed Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 121.024 -0.608 . . . . 0.89 112.172 -179.22 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -63.07 -38.39 91.0 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 120.948 0.404 . . . . 1.09 111.344 -178.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.507 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 1.2 p -122.98 127.3 74.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.151 0.501 . . . . 0.79 111.736 -175.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.4 t -96.46 90.37 5.36 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.2 -0.909 . . . . 1.27 108.806 174.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.6 ' HG2' ' N ' ' A' ' 39' ' ' CYS . 70.9 tttt -87.6 162.4 17.18 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.404 -0.816 . . . . 1.49 110.476 -176.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.6 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 59.7 m -125.16 156.95 37.58 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.996 -0.547 . . . . 0.36 109.607 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 29.7 p90 . . . . . 0 C--O 1.246 0.869 0 CA-C-O 118.942 -0.552 . . . . 1.15 110.098 179.16 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 . . . . . 0 N--CA 1.471 0.583 0 CA-C-O 120.628 0.251 . . . . 1.01 111.649 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 151.51 -72.47 0.28 Allowed Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.502 -0.856 . . . . 0.89 112.434 -179.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.596 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 8.0 m -79.49 91.92 5.2 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-O 121.25 0.547 . . . . 1.67 109.76 177.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.413 ' HB2' ' HG3' ' A' ' 9' ' ' GLN . 5.0 m120 -88.71 32.35 0.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 1.68 110.129 179.248 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 134.99 156.0 7.57 Favored Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 111.325 -0.71 . . . . 0.55 111.325 -176.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -42.04 -46.47 7.03 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 124.043 3.162 . . . . 0.72 113.116 175.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -59.01 -35.46 73.3 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.995 -1.002 . . . . 2.6 110.876 -177.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.413 ' HG3' ' HB2' ' A' ' 5' ' ' ASN . 17.6 mm-40 -77.97 -68.66 0.61 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.273 -0.876 . . . . 2.02 110.035 -178.169 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.544 ' HG2' ' SG ' ' A' ' 30' ' ' CYS . 1.7 tm-20 40.65 88.75 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 O-C-N 124.588 1.18 . . . . 1.86 112.448 175.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -122.79 102.03 7.8 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.324 0.583 . . . . 2.14 110.366 -178.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -52.56 -47.52 66.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.682 -1.145 . . . . 2.02 111.808 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.7 tp -72.41 -35.3 68.34 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.213 0.449 . . . . 0.54 112.213 -171.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.4 mmmm -63.03 -44.68 95.25 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.737 -0.385 . . . . 1.82 110.779 177.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.596 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 62.1 m -66.91 -39.72 87.49 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 121.182 0.515 . . . . 1.33 109.692 175.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.715 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 58.9 t60 -55.09 -56.62 17.82 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.288 -0.869 . . . . 0.37 109.84 175.17 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -57.94 -38.64 76.33 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.112 -0.949 . . . . 0.54 112.017 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.508 ' CE1' HD11 ' A' ' 22' ' ' ILE . 7.9 t60 -55.9 -44.73 78.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.912 0.386 . . . . 0.46 110.366 176.209 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.419 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 35.2 m -75.87 -23.57 55.64 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.862 -0.608 . . . . 0.43 110.991 -178.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.715 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 27.9 mmmt -66.36 -32.78 74.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.37 0.605 . . . . 0.98 109.779 177.245 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.2 t -80.77 -4.37 54.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.231 -0.895 . . . . 1.35 110.534 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.69 HG22 ' HG2' ' A' ' 23' ' ' LYS . 43.2 mt -98.76 146.91 7.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 N-CA-C 109.702 -0.481 . . . . 0.41 109.702 177.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.69 ' HG2' HG22 ' A' ' 22' ' ' ILE . 5.5 ptmt -8.58 -93.3 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 115.407 1.632 . . . . 1.92 115.407 -173.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.26 26.7 4.12 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.382 -0.913 . . . . 0.5 112.464 -176.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.435 ' CE2' HG21 ' A' ' 22' ' ' ILE . 12.4 m-30 -61.9 153.89 27.78 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.999 0.428 . . . . 0.72 110.724 177.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.465 ' HB3' ' O ' ' A' ' 40' ' ' TYR . 54.1 tttp -89.52 -53.46 4.52 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.963 -0.562 . . . . 1.74 110.514 -177.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -160.08 -171.96 26.67 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.565 -0.826 . . . . 0.25 112.301 -179.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.585 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -154.78 162.98 31.09 Favored Glycine 0 C--O 1.227 -0.29 0 C-N-CA 120.22 -0.99 . . . . 0.35 113.147 -178.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.572 ' CE2' ' HD3' ' A' ' 38' ' ' LYS . 6.8 p90 -161.78 163.34 29.57 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.116 -0.327 . . . . 0.89 110.116 -178.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.686 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -76.68 101.14 5.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.816 0.341 . . . . 0.58 110.225 -178.472 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.498 ' HB3' ' CG2' ' A' ' 36' ' ' VAL . . . -65.98 -55.34 17.27 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 112.278 0.473 . . . . 0.42 112.278 -175.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -82.39 55.2 2.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.26 -0.427 . . . . 2.82 111.527 -176.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.57 -50.25 3.78 Favored Glycine 0 N--CA 1.45 -0.375 0 N-CA-C 111.9 -0.48 . . . . 1.69 111.9 178.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.537 ' HA2' ' CB ' ' A' ' 30' ' ' CYS . . . -177.85 23.63 0.05 OUTLIER Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 121.066 -0.588 . . . . 0.89 112.567 178.353 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -101.64 -54.85 2.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 117.532 0.666 . . . . 1.09 112.403 -176.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.686 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 1.4 m -99.85 152.18 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 C-N-CA 120.834 -0.346 . . . . 0.79 111.069 -174.075 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.3 m -99.43 88.21 3.82 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.027 -0.533 . . . . 1.27 109.808 172.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.595 ' HG2' ' N ' ' A' ' 39' ' ' CYS . 36.5 tttp -76.14 159.75 30.41 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.032 -0.729 . . . . 1.49 109.032 177.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.595 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 61.4 m -129.1 158.03 40.08 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 120.807 0.337 . . . . 0.36 110.222 -175.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.465 ' O ' ' HB3' ' A' ' 26' ' ' LYS . 25.1 p90 . . . . . 0 C--N 1.316 -0.876 0 CA-C-O 117.777 -1.106 . . . . 1.15 109.034 176.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 . . . . . 0 N--CA 1.47 0.557 0 CA-C-O 120.997 0.427 . . . . 1.01 111.645 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 157.95 -75.67 0.21 Allowed Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 111.553 -0.619 . . . . 0.89 111.553 -176.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.3 m -67.31 95.23 0.42 Allowed 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 120.931 0.396 . . . . 1.67 110.754 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.513 ' O ' ' HG3' ' A' ' 9' ' ' GLN . 28.3 m-80 -96.28 53.18 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.214 0.531 . . . . 1.68 110.656 179.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 92.89 158.16 34.11 Favored Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 120.594 -0.812 . . . . 0.55 111.207 -176.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -46.43 -40.84 23.14 Favored 'Trans proline' 0 CA--C 1.528 0.2 0 C-N-CA 124.047 3.165 . . . . 0.72 113.345 178.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -56.42 -31.19 63.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.746 -0.661 . . . . 2.6 110.722 -177.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.513 ' HG3' ' O ' ' A' ' 5' ' ' ASN . 0.3 OUTLIER -99.29 -63.45 1.12 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.169 -0.923 . . . . 2.02 109.592 -178.564 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 44.2 52.89 6.92 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 114.581 -1.191 . . . . 1.86 110.973 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.449 ' OD1' ' HB3' ' A' ' 9' ' ' GLN . 10.1 m-20 -71.6 87.73 0.93 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.588 -0.733 . . . . 2.14 110.652 -178.391 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -62.29 -58.63 7.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.379 -0.828 . . . . 2.02 112.381 -174.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 37.7 tp -72.49 -31.39 65.33 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.536 -0.302 . . . . 0.54 111.039 -174.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -42.13 97.72 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.205 -0.665 . . . . 1.82 109.205 178.158 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.5 t -62.79 -44.02 97.26 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.524 -0.762 . . . . 1.33 110.357 175.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.648 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 48.1 t60 -58.97 -49.36 78.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.466 -0.788 . . . . 0.37 110.355 175.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.406 ' HA ' ' CG ' ' A' ' 20' ' ' LYS . 80.4 m-20 -58.83 -30.35 67.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.745 -0.661 . . . . 0.54 112.474 179.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.525 ' CE1' HD11 ' A' ' 22' ' ' ILE . 9.9 t60 -59.76 -51.2 70.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.921 0.391 . . . . 0.46 110.487 178.188 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.569 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 36.6 m -80.29 -10.78 59.76 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.127 -0.488 . . . . 0.43 111.742 -175.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.648 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 3.3 mmmp? -62.29 -33.28 74.35 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.089 0.471 . . . . 0.98 110.234 172.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.8 m -83.89 -15.54 47.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.829 -0.623 . . . . 1.35 111.437 -176.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.702 HG22 ' HG2' ' A' ' 23' ' ' LYS . 43.3 mt -87.37 142.8 12.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 121.121 -0.232 . . . . 0.41 110.424 -177.265 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.702 ' HG2' HG22 ' A' ' 22' ' ' ILE . 9.3 ptmt -3.76 -96.02 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 125.604 1.562 . . . . 1.92 115.159 -173.352 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -117.43 15.76 12.91 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.376 -0.916 . . . . 0.5 112.53 -175.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.569 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 9.0 m-30 -61.74 130.75 47.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.094 0.473 . . . . 0.72 110.225 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.421 ' HB3' ' O ' ' A' ' 40' ' ' TYR . 50.2 tttp -81.95 -40.08 22.76 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.723 -0.672 . . . . 1.74 110.918 -178.15 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -167.64 -177.12 38.85 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.591 -0.814 . . . . 0.25 111.957 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -155.38 143.73 10.21 Favored Glycine 0 N--CA 1.451 -0.349 0 N-CA-C 111.117 -0.793 . . . . 0.35 111.117 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -142.09 156.07 45.38 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 117.301 0.55 . . . . 0.89 111.537 -174.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.484 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 11.9 m -66.12 106.99 1.77 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.48 -0.782 . . . . 0.58 109.214 175.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.635 ' HB3' HG13 ' A' ' 36' ' ' VAL . . . -79.75 -42.01 25.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.929 0.395 . . . . 0.42 111.541 -172.119 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.9 mmtm -104.25 56.96 0.72 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.284 0.564 . . . . 2.82 110.515 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.29 -60.58 4.33 Favored Glycine 0 N--CA 1.443 -0.86 0 CA-C-N 115.489 -0.778 . . . . 1.69 112.274 175.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.484 ' HA2' ' HB3' ' A' ' 30' ' ' CYS . . . -168.77 34.46 0.19 Allowed Glycine 0 C--O 1.224 -0.49 0 C-N-CA 120.713 -0.756 . . . . 0.89 112.829 -176.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -122.48 -80.05 0.62 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.155 0.502 . . . . 1.09 111.036 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.635 HG13 ' HB3' ' A' ' 31' ' ' ALA . 2.0 p -73.63 136.08 26.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.594 -0.73 . . . . 0.79 111.262 -176.268 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.5 m -103.77 96.48 6.73 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.646 -0.706 . . . . 1.27 110.677 178.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.506 ' HD3' ' N ' ' A' ' 39' ' ' CYS . 1.6 tmtp? -85.28 142.07 29.64 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.846 -0.798 . . . . 1.49 108.846 175.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.506 ' N ' ' HD3' ' A' ' 38' ' ' LYS . 70.8 m -131.42 159.21 38.7 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 116.119 -0.491 . . . . 0.36 111.303 -175.117 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.421 ' O ' ' HB3' ' A' ' 26' ' ' LYS . 1.7 p90 . . . . . 0 C--O 1.243 0.729 0 CA-C-O 118.602 -0.713 . . . . 1.15 110.532 -173.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 . . . . . 0 N--CA 1.471 0.598 0 N-CA-C 112.844 0.683 . . . . 1.01 112.844 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.479 ' HA3' ' HB3' ' A' ' 14' ' ' LYS . . . 127.09 -54.02 0.78 Allowed Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.273 -0.965 . . . . 0.89 113.366 -177.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.478 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 67.6 m -58.2 -51.93 67.7 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 117.056 0.428 . . . . 1.67 110.295 179.084 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 43.83 49.0 7.0 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.971 0.73 . . . . 1.68 112.971 176.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 78.07 174.96 43.82 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.894 -0.669 . . . . 0.55 113.325 177.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.462 ' HD3' ' O ' ' A' ' 33' ' ' GLY . 3.7 Cg_endo -52.82 -30.91 49.29 Favored 'Trans proline' 0 N--CA 1.473 0.27 0 C-N-CA 124.13 3.22 . . . . 0.72 113.706 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -46.88 -41.76 16.34 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 124.03 0.932 . . . . 2.6 110.866 -176.193 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.47 -57.86 1.81 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.353 -0.84 . . . . 2.02 110.236 -178.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 56.36 51.17 11.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.345 0.593 . . . . 1.86 110.488 178.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.426 ' H ' ' HA ' ' A' ' 4' ' ' CYS . 53.1 m-20 -87.76 90.5 8.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.594 -0.73 . . . . 2.14 110.519 179.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -59.85 -40.8 89.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.661 -0.7 . . . . 2.02 111.671 -177.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.4 tp -64.01 -32.03 73.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.553 -0.294 . . . . 0.54 111.621 -173.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.479 ' HB3' ' HA3' ' A' ' 3' ' ' GLY . 2.5 tppt? -63.11 -43.87 97.25 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.612 -0.514 . . . . 1.82 109.612 176.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.475 ' HA ' ' HB3' ' A' ' 18' ' ' HIS . 75.2 m -73.0 -31.58 64.58 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.978 -0.555 . . . . 1.33 110.556 178.289 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.544 ' HA ' ' N ' ' A' ' 28' ' ' GLY . 57.4 t60 -55.96 -48.1 76.41 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.784 -0.821 . . . . 0.37 108.784 169.402 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -62.54 -44.72 95.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.411 -0.813 . . . . 0.54 111.3 176.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.475 ' HB3' ' HA ' ' A' ' 15' ' ' CYS . 29.1 t60 -59.44 -49.29 78.35 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.348 -0.387 . . . . 0.46 111.511 -178.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.659 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 77.1 m -63.93 -39.94 95.32 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.786 0.327 . . . . 0.43 110.671 -178.023 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -71.33 -20.37 62.19 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.037 0.446 . . . . 0.98 111.311 -179.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.4 t -77.64 -9.96 59.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.663 -0.698 . . . . 1.35 109.93 173.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.555 HG22 ' HG2' ' A' ' 23' ' ' LYS . 40.7 mt -101.64 138.57 25.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.867 -0.606 . . . . 0.41 110.228 177.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.555 ' HG2' HG22 ' A' ' 22' ' ' ILE . 1.1 ptpp? 13.1 -96.01 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.008 0 O-C-N 124.88 1.363 . . . . 1.92 114.438 -174.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.29 27.83 3.54 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.514 -0.851 . . . . 0.5 112.795 -176.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.659 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 13.7 m-30 -66.08 138.47 57.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.114 0.483 . . . . 0.72 110.091 177.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -84.77 -39.27 18.62 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.535 -0.757 . . . . 1.74 111.137 -172.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -159.27 178.25 35.49 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.23 -0.985 . . . . 0.25 112.391 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.544 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -153.7 148.99 20.37 Favored Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 111.452 -0.659 . . . . 0.35 111.452 178.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -156.19 159.94 39.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.892 0.346 . . . . 0.89 110.536 -176.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.506 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 3.9 m -68.76 115.67 8.38 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.47 -0.937 . . . . 0.58 108.47 176.097 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.519 ' HB3' HG13 ' A' ' 36' ' ' VAL . . . -88.2 -42.41 12.32 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.435 -0.506 . . . . 0.42 111.79 -172.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -133.33 73.29 1.51 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.92 0.391 . . . . 2.82 111.531 -175.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.462 ' O ' ' HD3' ' A' ' 7' ' ' PRO . . . 77.2 36.62 34.47 Favored Glycine 0 C--O 1.224 -0.479 0 C-N-CA 120.855 -0.688 . . . . 1.69 112.99 171.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.506 ' HA2' ' HB3' ' A' ' 30' ' ' CYS . . . 80.13 -14.51 20.88 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.492 -0.861 . . . . 0.89 113.346 176.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -69.47 -67.67 0.46 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.934 0.397 . . . . 1.09 111.081 -178.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.519 HG13 ' HB3' ' A' ' 31' ' ' ALA . 1.2 p -90.86 135.41 26.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.06 -0.518 . . . . 0.79 111.21 -177.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.478 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 68.7 m -106.24 99.18 8.77 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-O 121.721 0.772 . . . . 1.27 110.38 174.341 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.43 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 24.2 tptm -71.99 143.54 49.17 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 114.345 -1.298 . . . . 1.49 110.452 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.3 m -122.15 155.1 36.46 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.762 -0.829 . . . . 0.36 108.762 178.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 26.6 p90 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.759 -0.639 . . . . 1.15 110.056 -179.438 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 . . . . . 0 N--CA 1.456 -0.166 0 CA-C-O 121.021 0.439 . . . . 1.01 110.149 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 160.41 -62.02 0.29 Allowed Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.631 -0.795 . . . . 0.89 112.491 -178.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -78.44 95.88 5.24 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-O 120.898 0.38 . . . . 1.67 110.723 -179.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.489 ' HB2' ' HG3' ' A' ' 9' ' ' GLN . 17.6 m120 -101.48 40.67 1.27 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.257 0.551 . . . . 1.68 109.921 176.249 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 115.82 154.37 10.4 Favored Glycine 0 N--CA 1.443 -0.881 0 CA-C-N 115.69 -0.687 . . . . 0.55 111.464 -176.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.436 ' O ' ' HB2' ' A' ' 10' ' ' GLU . 2.7 Cg_exo -42.46 -45.88 7.98 Favored 'Trans proline' 0 CA--C 1.53 0.282 0 C-N-CA 124.561 3.507 . . . . 0.72 113.622 177.104 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -54.27 -34.83 61.7 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.576 0.703 . . . . 2.6 110.53 -179.05 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.489 ' HG3' ' HB2' ' A' ' 5' ' ' ASN . 28.7 mm-40 -86.28 -71.57 0.54 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.796 -1.093 . . . . 2.02 108.673 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' A' ' 7' ' ' PRO . 8.0 tt0 47.07 41.81 11.82 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.312 -0.858 . . . . 1.86 111.965 177.001 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -73.89 92.65 2.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.16 0.505 . . . . 2.14 110.308 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -66.92 -45.03 79.14 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.186 -0.916 . . . . 2.02 111.145 -173.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 27.1 tp -65.85 -34.67 78.67 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.585 -0.734 . . . . 0.54 111.252 -176.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -58.34 -45.31 88.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.868 0.366 . . . . 1.82 110.421 175.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.0 t -67.59 -45.41 75.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.945 -0.57 . . . . 1.33 109.799 178.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.705 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 62.2 t60 -55.3 -51.58 66.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.331 -0.85 . . . . 0.37 110.282 176.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -57.97 -41.0 82.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.464 -0.789 . . . . 0.54 111.971 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.451 ' CE1' HD11 ' A' ' 22' ' ' ILE . 8.1 t60 -58.11 -46.51 85.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.862 0.363 . . . . 0.46 110.81 178.502 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.487 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 55.5 m -72.6 -17.88 61.65 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.125 -0.489 . . . . 0.43 111.149 -176.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.705 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 2.0 mmmp? -66.85 -33.29 75.28 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.336 0.588 . . . . 0.98 110.052 178.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.4 t -84.84 -0.39 53.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.469 -0.787 . . . . 1.35 111.066 -176.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.659 HG22 ' HG2' ' A' ' 23' ' ' LYS . 38.7 mt -98.97 139.8 19.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 110.345 -0.242 . . . . 0.41 110.345 179.248 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.659 ' HG2' HG22 ' A' ' 22' ' ' ILE . 0.1 OUTLIER 3.57 -99.07 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 125.45 1.5 . . . . 1.92 114.975 -174.883 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.08 28.79 5.28 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.74 -0.743 . . . . 0.5 112.29 -177.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.487 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 13.0 m-30 -66.63 152.02 46.18 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.305 0.574 . . . . 0.72 110.73 179.206 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.414 ' HB3' ' OXT' ' A' ' 40' ' ' TYR . 79.0 tttt -89.44 -48.5 7.29 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.27 -0.877 . . . . 1.74 110.302 -177.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -166.07 -167.26 26.44 Favored Glycine 0 N--CA 1.442 -0.948 0 C-N-CA 120.784 -0.722 . . . . 0.25 112.005 -179.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.538 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -152.63 163.69 30.45 Favored Glycine 0 N--CA 1.449 -0.491 0 N-CA-C 111.104 -0.798 . . . . 0.35 111.104 178.258 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -163.9 161.37 22.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.174 0.511 . . . . 0.89 111.046 -178.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.459 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 10.8 m -78.06 102.16 7.31 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.467 -0.788 . . . . 0.58 109.528 178.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.556 ' HB3' HG13 ' A' ' 36' ' ' VAL . . . -70.68 -40.9 72.66 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.119 0.415 . . . . 0.42 112.119 -169.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -99.25 51.47 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.113 0.482 . . . . 2.82 110.49 179.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.23 -62.03 4.38 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.783 -0.644 . . . . 1.69 111.561 176.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.459 ' HA2' ' HB3' ' A' ' 30' ' ' CYS . . . -164.4 26.98 0.2 Allowed Glycine 0 C--O 1.226 -0.373 0 C-N-CA 120.95 -0.643 . . . . 0.89 112.597 -177.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -109.81 -70.82 0.79 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.015 0.436 . . . . 1.09 111.53 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.556 HG13 ' HB3' ' A' ' 31' ' ' ALA . 2.3 p -85.69 135.03 25.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.895 -0.593 . . . . 0.79 111.79 -174.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.4 t -97.05 97.52 9.3 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.053 -0.976 . . . . 1.27 109.696 178.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.599 ' HG2' ' N ' ' A' ' 39' ' ' CYS . 66.8 tttt -95.76 161.18 14.13 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.764 -0.653 . . . . 1.49 109.992 178.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.599 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 56.6 m -121.71 156.94 32.01 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.563 -0.532 . . . . 0.36 109.563 178.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.414 ' OXT' ' HB3' ' A' ' 26' ' ' LYS . 29.0 p90 . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.742 -0.646 . . . . 1.15 109.459 178.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 . . . . . 0 N--CA 1.465 0.324 0 CA-C-O 121.07 0.462 . . . . 1.01 111.539 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 130.71 -40.4 1.66 Allowed Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.662 -0.78 . . . . 0.89 112.1 -178.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.708 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 91.9 m -69.27 -75.68 0.11 Allowed 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 110.505 -0.183 . . . . 1.67 110.505 177.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.9 m120 52.17 38.47 24.49 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 113.175 0.806 . . . . 1.68 113.175 171.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 100.07 171.2 29.83 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.404 -0.903 . . . . 0.55 113.234 177.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.424 ' HD3' ' CE1' ' A' ' 35' ' ' PHE . 7.6 Cg_endo -53.42 -41.78 70.5 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 124.257 3.305 . . . . 0.72 114.047 -178.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 6.1 m95 -62.9 -37.6 87.59 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.74 -0.664 . . . . 2.6 111.482 -172.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.708 ' HB2' ' O ' ' A' ' 4' ' ' CYS . 2.3 mt-30 -92.12 -72.58 0.58 Allowed 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.501 -0.555 . . . . 2.02 109.501 -175.13 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 45.57 55.6 6.53 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 123.958 0.786 . . . . 1.86 111.122 173.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -83.81 120.6 26.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.245 0.545 . . . . 2.14 110.371 -177.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -66.32 -55.39 16.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.057 -0.974 . . . . 2.02 111.621 -176.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.5 tp -73.76 -33.12 64.15 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.327 -0.397 . . . . 0.54 111.806 -171.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.29 -43.3 98.3 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.853 -0.339 . . . . 1.82 110.789 177.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.4 t -63.85 -43.04 97.34 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.203 -0.666 . . . . 1.33 109.203 176.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.658 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 43.1 t60 -56.99 -55.52 33.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.423 -0.808 . . . . 0.37 110.63 175.38 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -57.63 -34.66 69.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.549 -0.751 . . . . 0.54 112.049 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.552 ' CE1' HD11 ' A' ' 22' ' ' ILE . 14.9 t60 -60.3 -49.83 76.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.085 0.469 . . . . 0.46 110.297 177.042 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.593 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 36.8 m -67.74 -29.13 68.27 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.822 -0.626 . . . . 0.43 110.828 -178.217 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.658 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 2.4 mmmp? -54.57 -36.8 64.75 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.942 0.401 . . . . 0.98 110.799 178.34 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.7 m -86.75 -3.04 59.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.858 -0.61 . . . . 1.35 111.858 -175.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.63 HG22 ' HG2' ' A' ' 23' ' ' LYS . 39.3 mt -97.31 138.17 22.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 120.981 -0.287 . . . . 0.41 110.656 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.63 ' HG2' HG22 ' A' ' 22' ' ' ILE . 10.0 ptpt 7.73 -98.82 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.439 1.496 . . . . 1.92 114.833 -175.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -120.6 25.52 7.24 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.616 -0.802 . . . . 0.5 112.456 -176.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.593 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 10.4 m-30 -67.66 152.06 46.24 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.121 0.486 . . . . 0.72 110.834 179.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -104.43 -46.33 4.41 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.899 -0.591 . . . . 1.74 110.865 -177.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -152.66 -179.61 28.36 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.63 -0.795 . . . . 0.25 111.961 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.571 ' HA3' ' SG ' ' A' ' 19' ' ' CYS . . . -155.45 149.72 20.94 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.472 -0.87 . . . . 0.35 112.787 -177.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.466 ' CE2' ' HD3' ' A' ' 38' ' ' LYS . 6.6 p90 -158.11 151.16 22.88 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.052 0.453 . . . . 0.89 110.532 -177.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.527 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 23.3 m -70.57 115.14 9.4 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.887 -0.597 . . . . 0.58 109.904 179.332 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.14 -39.77 32.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.442 -0.345 . . . . 0.42 111.902 -174.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -127.38 73.17 1.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.531 -0.304 . . . . 2.82 111.45 -175.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 62.92 35.6 92.26 Favored Glycine 0 C--O 1.227 -0.306 0 C-N-CA 121.197 -0.525 . . . . 1.69 113.239 172.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.545 ' O ' ' HB3' ' A' ' 4' ' ' CYS . . . 80.89 -1.41 84.23 Favored Glycine 0 C--O 1.223 -0.57 0 C-N-CA 120.899 -0.667 . . . . 0.89 113.548 176.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.424 ' CE1' ' HD3' ' A' ' 7' ' ' PRO . 53.8 m-85 -81.76 -9.66 59.57 Favored 'General case' 0 C--N 1.317 -0.805 0 O-C-N 122.014 -0.698 . . . . 1.09 111.277 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.527 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 1.6 p -150.26 130.68 4.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 120.989 0.423 . . . . 0.79 110.995 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.1 t -99.74 93.68 5.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.365 -0.834 . . . . 1.27 109.026 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.621 ' HG2' ' N ' ' A' ' 39' ' ' CYS . 75.6 tttt -82.01 163.07 22.37 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.712 -0.676 . . . . 1.49 110.338 -177.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.621 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 42.2 m -141.77 155.64 45.61 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.3 -0.409 . . . . 0.36 109.929 -176.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 27.0 p90 . . . . . 0 C--O 1.243 0.737 0 CA-C-O 117.606 -1.187 . . . . 1.15 109.227 177.922 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.56 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 68.5 m-85 . . . . . 0 N--CA 1.449 -0.49 0 CA-C-O 121.032 0.444 . . . . 1.01 110.229 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 103.22 -55.08 0.66 Allowed Glycine 0 N--CA 1.445 -0.742 0 N-CA-C 111.026 -0.83 . . . . 0.89 111.026 -178.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.449 ' HB2' ' O ' ' A' ' 34' ' ' GLY . 5.3 p -102.78 124.54 48.5 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-O 121.459 0.647 . . . . 1.67 110.229 174.536 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.526 ' H ' ' HB2' ' A' ' 9' ' ' GLN . 35.0 m-80 -110.02 21.73 16.46 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.034 -0.985 . . . . 1.68 111.069 -177.187 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 139.72 174.13 13.54 Favored Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 111.064 -0.814 . . . . 0.55 111.064 -174.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -50.75 -48.63 19.79 Favored 'Trans proline' 0 N--CA 1.472 0.214 0 C-N-CA 123.43 2.754 . . . . 0.72 113.246 -178.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -78.21 -16.22 58.07 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.673 -0.694 . . . . 2.6 110.549 -176.271 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.526 ' HB2' ' H ' ' A' ' 5' ' ' ASN . 7.8 mm100 -99.75 -5.48 28.63 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.538 -0.755 . . . . 2.02 109.983 -177.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.44 ' HA ' ' CB ' ' A' ' 4' ' ' CYS . 1.5 tm-20 -52.83 104.2 0.09 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.862 -1.063 . . . . 1.86 112.2 -176.391 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -122.46 105.65 10.34 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.796 -0.816 . . . . 2.14 108.796 174.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -62.42 -46.44 88.54 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.222 -0.899 . . . . 2.02 111.863 -172.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.0 tp -67.98 -36.76 80.57 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.71 -0.396 . . . . 0.54 111.472 -176.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -62.35 -42.54 99.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.623 0.249 . . . . 1.82 110.714 176.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.6 t -64.07 -46.12 85.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.339 0.59 . . . . 1.33 109.544 175.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.668 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 58.5 t60 -54.73 -51.65 64.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.269 -0.878 . . . . 0.37 110.415 176.297 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -61.17 -33.75 73.93 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.531 -0.758 . . . . 0.54 112.281 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.41 ' NE2' HD11 ' A' ' 22' ' ' ILE . 16.3 t60 -59.32 -44.72 92.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.018 0.437 . . . . 0.46 109.985 177.227 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.48 ' SG ' ' HA3' ' A' ' 28' ' ' GLY . 50.3 m -75.18 -17.25 60.42 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.813 -0.631 . . . . 0.43 111.289 -177.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.668 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 1.7 mmmp? -71.46 -37.18 71.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.199 0.523 . . . . 0.98 109.945 178.107 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.1 m -77.59 -11.0 59.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.346 -0.843 . . . . 1.35 111.378 -178.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.619 HG22 ' HG2' ' A' ' 23' ' ' LYS . 44.4 mt -90.27 141.65 14.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 109.759 -0.46 . . . . 0.41 109.759 177.42 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.619 ' HG2' HG22 ' A' ' 22' ' ' ILE . 6.4 ptpt 13.58 -91.04 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.15 0 O-C-N 124.989 1.431 . . . . 1.92 113.406 -175.41 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -157.7 48.33 0.45 Allowed Glycine 0 N--CA 1.438 -1.229 0 C-N-CA 120.089 -1.053 . . . . 0.5 112.436 173.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.444 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 78.6 m-85 -59.56 168.62 1.55 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.476 0.655 . . . . 0.72 111.388 172.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -89.43 -47.24 8.14 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.431 -0.804 . . . . 1.74 109.86 178.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -169.57 -172.87 36.62 Favored Glycine 0 N--CA 1.442 -0.934 0 CA-C-N 115.516 -0.766 . . . . 0.25 111.79 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.48 ' HA3' ' SG ' ' A' ' 19' ' ' CYS . . . -144.77 155.83 26.6 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.548 -0.834 . . . . 0.35 112.039 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -152.52 150.92 30.09 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.026 0.441 . . . . 0.89 110.143 178.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.605 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 4.7 m -80.85 112.65 18.43 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 109.426 -0.583 . . . . 0.58 109.426 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.62 -41.15 63.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.128 -0.487 . . . . 0.42 111.943 -170.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -120.27 72.76 0.96 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.246 0.462 . . . . 2.82 112.246 -173.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 73.75 37.82 50.99 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.696 -0.764 . . . . 1.69 113.105 168.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.449 ' O ' ' HB2' ' A' ' 4' ' ' CYS . . . 77.26 10.53 86.2 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.692 -0.765 . . . . 0.89 113.184 178.065 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -90.39 -63.18 1.31 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 117.062 0.431 . . . . 1.09 111.876 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.605 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 2.5 p -99.87 127.21 52.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.17 0.51 . . . . 0.79 111.88 -175.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.56 ' HB3' ' HB2' ' A' ' 2' ' ' PHE . 44.5 t -91.39 98.03 11.45 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.197 -0.91 . . . . 1.27 109.773 179.088 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.1 tmtm? -91.22 146.43 23.83 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.679 -0.691 . . . . 1.49 109.512 177.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.1 m -117.92 153.05 34.24 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.288 -0.414 . . . . 0.36 110.599 -174.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 18.2 p90 . . . . . 0 C--O 1.251 1.172 0 CA-C-O 118.864 -0.589 . . . . 1.15 109.798 -178.888 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 . . . . . 0 N--CA 1.463 0.19 0 CA-C-O 121.355 0.598 . . . . 1.01 111.632 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.403 ' HA3' ' HE3' ' A' ' 14' ' ' LYS . . . 98.45 -19.25 55.18 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.857 -0.687 . . . . 0.89 113.084 176.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.737 ' SG ' ' HG2' ' A' ' 10' ' ' GLU . 11.4 t -94.26 -57.53 2.48 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.627 -0.429 . . . . 1.67 110.212 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.3 m120 70.41 -42.54 0.52 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.13 0.972 . . . . 1.68 113.566 170.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 178.19 172.27 42.43 Favored Glycine 0 N--CA 1.441 -1.03 0 N-CA-C 110.617 -0.993 . . . . 0.55 110.617 -177.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -52.35 -41.02 69.17 Favored 'Trans proline' 0 CA--C 1.528 0.208 0 C-N-CA 123.043 2.495 . . . . 0.72 112.714 -177.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -72.84 -32.41 65.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.107 -0.497 . . . . 2.6 111.025 -176.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.657 ' HB2' ' O ' ' A' ' 4' ' ' CYS . 4.3 mt-30 -93.6 -13.12 28.05 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.151 -0.477 . . . . 2.02 110.64 -173.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.737 ' HG2' ' SG ' ' A' ' 4' ' ' CYS . 1.2 tm-20 -45.84 117.68 1.57 Allowed 'General case' 0 C--O 1.236 0.36 0 O-C-N 124.018 0.824 . . . . 1.86 111.255 -178.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -85.76 -93.78 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.035 -0.984 . . . . 2.14 110.791 -177.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.3 t70 177.44 -64.06 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.214 -0.662 . . . . 2.02 109.214 -179.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.0 tp -104.91 -18.72 14.1 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 114.98 -1.009 . . . . 0.54 111.004 -172.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.403 ' HE3' ' HA3' ' A' ' 3' ' ' GLY . 11.2 mmmt -56.14 -41.98 76.22 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 111.657 0.243 . . . . 1.82 111.657 -179.155 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 32.3 t -64.83 -43.79 91.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.232 0.539 . . . . 1.33 109.701 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.634 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 48.7 t60 -59.81 -52.74 64.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.66 -0.7 . . . . 0.37 110.249 176.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -57.46 -38.06 73.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.385 -0.825 . . . . 0.54 112.235 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.505 ' CE1' HD11 ' A' ' 22' ' ' ILE . 8.3 t60 -55.02 -42.9 73.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.309 0.576 . . . . 0.46 110.723 178.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.52 ' SG ' ' HA3' ' A' ' 28' ' ' GLY . 19.9 m -76.75 -16.63 59.43 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.809 -0.632 . . . . 0.43 110.862 -177.408 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.634 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 1.7 mmmp? -76.35 -26.18 55.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.934 0.397 . . . . 0.98 110.642 -178.151 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.6 p -89.47 -0.93 57.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.195 -0.457 . . . . 1.35 111.382 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.559 HG22 ' HG2' ' A' ' 23' ' ' LYS . 28.6 mt -100.04 149.13 6.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.523 -0.547 . . . . 0.41 109.523 175.194 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.559 ' HG2' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -2.29 -86.13 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.122 1.369 . . . . 1.92 114.405 -175.873 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -150.46 41.1 0.81 Allowed Glycine 0 N--CA 1.441 -1.011 0 C-N-CA 119.353 -1.404 . . . . 0.5 113.564 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.442 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 90.5 m-85 -68.27 145.95 53.77 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 120.358 -0.537 . . . . 0.72 109.917 170.554 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -84.01 -40.55 18.28 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.504 -0.771 . . . . 1.74 110.513 -175.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -164.82 -175.12 35.28 Favored Glycine 0 N--CA 1.439 -1.144 0 C-N-CA 120.469 -0.872 . . . . 0.25 111.844 -179.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.52 ' HA3' ' SG ' ' A' ' 19' ' ' CYS . . . -151.34 142.17 9.26 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.529 -0.843 . . . . 0.35 112.834 -178.122 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.548 ' CE2' ' HD3' ' A' ' 38' ' ' LYS . 2.5 p90 -143.57 147.36 34.31 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.183 0.516 . . . . 0.89 110.16 -179.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.464 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 25.3 m -72.45 112.68 8.73 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.667 -0.697 . . . . 0.58 109.852 -177.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.0 -42.41 60.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.916 -0.584 . . . . 0.42 111.926 -168.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -123.71 68.45 1.03 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.821 0.343 . . . . 2.82 110.637 -176.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.33 -47.52 3.76 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.886 -0.673 . . . . 1.69 112.784 174.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.704 ' HA2' ' SG ' ' A' ' 4' ' ' CYS . . . 172.72 -27.14 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.474 -0.87 . . . . 0.89 112.486 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -52.34 -47.12 66.25 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.157 0.503 . . . . 1.09 111.807 -176.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -110.55 128.86 66.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.851 -0.613 . . . . 0.79 111.278 -175.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 50.7 t -102.04 95.56 6.43 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.355 -0.838 . . . . 1.27 108.769 177.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.551 ' HG2' ' N ' ' A' ' 39' ' ' CYS . 66.8 tttt -84.44 157.75 21.28 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.664 -0.698 . . . . 1.49 110.397 -177.257 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.551 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 54.6 m -132.74 156.97 46.07 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.03 -0.532 . . . . 0.36 109.864 -176.141 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 15.2 p90 . . . . . 0 C--O 1.241 0.653 0 CA-C-O 118.317 -0.849 . . . . 1.15 110.057 -179.873 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 . . . . . 0 CA--C 1.522 -0.102 0 CA-C-O 121.641 0.734 . . . . 1.01 110.337 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 136.0 -68.08 0.53 Allowed Glycine 0 N--CA 1.444 -0.774 0 CA-C-N 114.747 -1.115 . . . . 0.89 110.446 -176.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.794 ' SG ' ' HA ' ' A' ' 10' ' ' GLU . 3.2 m -70.33 102.14 2.08 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-O 121.624 0.726 . . . . 1.67 110.85 175.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.463 ' H ' ' HB2' ' A' ' 9' ' ' GLN . 1.0 OUTLIER -103.23 27.68 7.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.205 -0.907 . . . . 1.68 110.588 178.407 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 126.38 170.12 12.9 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 111.187 -0.765 . . . . 0.55 111.187 -174.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -47.32 -43.86 25.63 Favored 'Trans proline' 0 CA--C 1.532 0.413 0 C-N-CA 123.706 2.938 . . . . 0.72 113.337 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.7 m95 -75.62 -14.69 60.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.284 0.564 . . . . 2.6 111.129 -175.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.463 ' HB2' ' H ' ' A' ' 5' ' ' ASN . 17.0 mm-40 -108.97 -3.26 17.64 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.362 -0.835 . . . . 2.02 109.91 -173.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.794 ' HA ' ' SG ' ' A' ' 4' ' ' CYS . 4.3 tm-20 -48.51 114.8 1.04 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.673 -1.149 . . . . 1.86 112.001 -177.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -141.47 114.34 8.5 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.445 -0.798 . . . . 2.14 109.466 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -65.3 -42.97 92.55 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.386 -0.825 . . . . 2.02 111.522 -176.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.6 tp -70.64 -36.36 73.38 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.918 -0.583 . . . . 0.54 112.005 -170.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm -62.2 -46.6 88.2 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.928 -0.309 . . . . 1.82 111.007 177.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.4 m -67.21 -37.0 82.89 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.135 0.493 . . . . 1.33 109.794 176.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.656 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 61.9 t60 -59.05 -53.38 58.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.596 -0.729 . . . . 0.37 110.185 175.295 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -57.69 -37.51 73.6 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.165 -0.925 . . . . 0.54 111.829 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.537 ' CE1' HD11 ' A' ' 22' ' ' ILE . 11.9 t60 -57.61 -46.89 83.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.981 0.42 . . . . 0.46 110.455 176.276 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.487 ' SG ' ' HA3' ' A' ' 28' ' ' GLY . 37.9 m -73.41 -20.67 60.68 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.07 -0.514 . . . . 0.43 111.168 -177.232 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.656 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 1.9 mmmp? -64.63 -26.24 68.31 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.343 0.592 . . . . 0.98 110.064 176.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.2 t -87.87 -6.97 57.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.461 -0.79 . . . . 1.35 111.038 -178.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.699 HG22 ' HG2' ' A' ' 23' ' ' LYS . 26.0 mt -102.61 140.44 20.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 120.822 -0.351 . . . . 0.41 110.739 -178.46 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.699 ' HG2' HG22 ' A' ' 22' ' ' ILE . 1.8 ptpp? -1.05 -102.32 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 115.478 1.658 . . . . 1.92 115.478 -175.473 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -114.82 27.3 8.8 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.464 -0.874 . . . . 0.5 112.46 -176.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.406 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 11.9 m-30 -74.31 131.62 41.33 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.899 0.38 . . . . 0.72 110.09 178.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -80.4 -40.95 25.47 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.868 -0.605 . . . . 1.74 111.053 -175.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -162.54 -174.84 32.92 Favored Glycine 0 N--CA 1.439 -1.159 0 C-N-CA 120.611 -0.804 . . . . 0.25 111.819 -178.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.555 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -148.57 146.62 16.33 Favored Glycine 0 N--CA 1.444 -0.833 0 C-N-CA 120.79 -0.719 . . . . 0.35 111.964 -178.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -144.71 147.85 33.49 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.983 0.421 . . . . 0.89 109.931 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.682 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 3.3 m -78.13 105.24 9.22 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.492 -0.559 . . . . 0.58 109.492 -179.279 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.19 -57.32 4.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.892 -0.594 . . . . 0.42 111.702 -171.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -97.74 63.38 1.7 Allowed 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 112.243 0.46 . . . . 2.82 112.243 -173.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.99 45.55 8.25 Favored Glycine 0 CA--C 1.51 -0.255 0 C-N-CA 120.445 -0.883 . . . . 1.69 113.448 166.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.674 ' C ' ' HB3' ' A' ' 4' ' ' CYS . . . 65.88 45.38 88.53 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.81 -0.709 . . . . 0.89 112.812 -179.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -125.51 -72.17 0.67 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.75 0.309 . . . . 1.09 111.247 177.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.682 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 2.4 p -84.12 129.87 36.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.105 -0.498 . . . . 0.79 111.455 -177.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 69.4 m -87.39 81.7 7.77 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.68 -0.691 . . . . 1.27 109.98 176.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.472 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 21.4 tptm -68.34 138.24 55.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.01 -0.541 . . . . 1.49 110.124 178.292 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.5 m -116.34 155.09 29.06 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.822 -0.627 . . . . 0.36 110.145 -176.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 15.1 p90 . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.49 -0.767 . . . . 1.15 110.779 -178.373 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 . . . . . 0 CA--C 1.523 -0.085 0 CA-C-O 121.359 0.599 . . . . 1.01 110.637 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 95.15 -56.42 1.78 Allowed Glycine 0 N--CA 1.444 -0.823 0 CA-C-N 115.316 -0.856 . . . . 0.89 111.553 -179.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.507 ' SG ' ' HA ' ' A' ' 10' ' ' GLU . 30.7 m -84.1 86.48 7.21 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-O 121.713 0.768 . . . . 1.67 111.173 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.511 ' H ' ' HB2' ' A' ' 9' ' ' GLN . 56.2 m-20 -102.62 36.46 2.17 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.763 -1.108 . . . . 1.68 109.263 173.463 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 121.66 153.99 9.09 Favored Glycine 0 N--CA 1.442 -0.952 0 N-CA-C 110.509 -1.037 . . . . 0.55 110.509 -171.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -44.7 -37.9 12.0 Favored 'Trans proline' 0 N--CA 1.476 0.451 0 C-N-CA 123.948 3.099 . . . . 0.72 113.928 178.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -67.62 -30.38 69.94 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.465 0.65 . . . . 2.6 110.385 -178.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.511 ' HB2' ' H ' ' A' ' 5' ' ' ASN . 33.8 mm-40 -90.24 -17.91 26.63 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.212 -0.904 . . . . 2.02 110.028 -178.063 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.507 ' HA ' ' SG ' ' A' ' 4' ' ' CYS . 17.3 tt0 -37.77 112.24 0.2 Allowed 'General case' 0 C--O 1.235 0.323 0 O-C-N 124.717 1.261 . . . . 1.86 112.792 -171.095 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -129.41 109.94 11.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.649 -0.705 . . . . 2.14 109.573 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -59.25 -51.23 70.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.892 -1.049 . . . . 2.02 112.0 -176.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.434 ' HG ' ' ND2' ' A' ' 17' ' ' ASN . 20.1 tp -74.8 -34.41 62.39 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.936 -0.574 . . . . 0.54 111.917 -171.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.1 tppt? -59.91 -43.89 94.59 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 121.126 -0.23 . . . . 1.82 110.615 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.9 t -67.29 -44.98 77.92 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.616 -0.513 . . . . 1.33 109.616 178.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.696 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 55.1 t60 -54.97 -52.23 63.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.654 -0.703 . . . . 0.37 110.126 175.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.434 ' ND2' ' HG ' ' A' ' 13' ' ' LEU . 82.4 m-20 -59.27 -38.59 80.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.48 -0.782 . . . . 0.54 111.948 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.538 ' CE1' HD11 ' A' ' 22' ' ' ILE . 12.9 t60 -60.22 -44.6 95.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.919 0.39 . . . . 0.46 110.754 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.596 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 44.1 m -73.43 -24.4 60.24 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.076 -0.511 . . . . 0.43 111.248 -177.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.696 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 2.5 mmmp? -57.62 -37.02 72.58 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.02 0.438 . . . . 0.98 111.037 -178.63 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 42.0 m -93.18 1.15 57.24 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.737 -0.665 . . . . 1.35 112.095 -174.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.742 HG22 ' HG2' ' A' ' 23' ' ' LYS . 52.3 mt -92.08 135.06 28.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.656 -0.418 . . . . 0.41 110.061 176.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.742 ' HG2' HG22 ' A' ' 22' ' ' ILE . 8.6 ptmt 11.85 -93.84 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.264 1.426 . . . . 1.92 114.473 -172.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -128.74 28.29 4.21 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.897 -0.668 . . . . 0.5 111.85 -179.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.596 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 14.3 m-30 -68.1 146.38 53.52 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.297 0.57 . . . . 0.72 110.839 178.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.5 ttpp -92.62 -49.86 5.89 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.26 -0.882 . . . . 1.74 111.03 -175.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -153.97 -177.84 27.81 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.635 -0.793 . . . . 0.25 111.479 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.566 ' HA3' ' SG ' ' A' ' 19' ' ' CYS . . . -150.16 144.83 12.4 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.304 -0.951 . . . . 0.35 112.634 -179.664 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.433 ' O ' ' HD2' ' A' ' 29' ' ' TYR . 0.1 OUTLIER -147.53 153.13 39.11 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.423 0.63 . . . . 0.89 111.072 178.621 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.656 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 32.3 m -84.15 101.93 12.2 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.636 -0.711 . . . . 0.58 109.906 -176.047 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.57 -52.99 58.65 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 115.261 -0.881 . . . . 0.42 111.995 -168.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -90.85 50.65 1.83 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.33 0.586 . . . . 2.82 110.345 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 85.34 -66.11 3.87 Favored Glycine 0 N--CA 1.441 -0.98 0 N-CA-C 110.976 -0.85 . . . . 1.69 110.976 176.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.476 ' HA2' ' HB3' ' A' ' 30' ' ' CYS . . . -167.45 32.14 0.2 Allowed Glycine 0 N--CA 1.444 -0.789 0 CA-C-N 114.914 -0.643 . . . . 0.89 112.075 -177.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -108.02 -30.12 8.62 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.73 0.3 . . . . 1.09 111.484 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.656 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 2.2 p -131.97 135.35 58.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.116 -0.493 . . . . 0.79 110.805 -175.665 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 39.9 t -97.87 94.38 6.87 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.186 -0.672 . . . . 1.27 109.186 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.4 tptt -84.49 141.0 31.07 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.49 -0.777 . . . . 1.49 110.281 -179.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 36.9 m -124.06 156.89 35.75 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.746 -0.661 . . . . 0.36 109.84 -177.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.4 p90 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.861 -0.59 . . . . 1.15 109.694 -179.37 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 . . . . . 0 CA--C 1.519 -0.222 0 CA-C-O 121.304 0.573 . . . . 1.01 110.129 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 86.38 -50.07 4.17 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.513 -0.767 . . . . 0.89 111.516 -177.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.896 ' SG ' ' HA2' ' A' ' 34' ' ' GLY . 5.9 t -81.04 109.89 16.04 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.713 -0.847 . . . . 1.67 108.713 175.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -119.2 21.86 12.08 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.868 -0.605 . . . . 1.68 111.006 -174.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 139.27 179.75 17.82 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.695 -0.764 . . . . 0.55 111.579 -175.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -48.41 -59.0 1.41 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 123.673 2.915 . . . . 0.72 113.116 -178.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -70.97 -26.05 62.99 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.471 0.653 . . . . 2.6 110.614 -176.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -89.18 -1.18 57.98 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.262 -0.881 . . . . 2.02 111.267 -175.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.821 ' HA ' ' SG ' ' A' ' 4' ' ' CYS . 9.9 mt-10 -53.22 126.36 20.7 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.449 0.642 . . . . 1.86 112.561 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.412 ' OD1' ' HG2' ' A' ' 14' ' ' LYS . 8.7 t70 -140.95 98.05 3.31 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.016 -0.993 . . . . 2.14 108.56 174.474 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -53.54 -43.12 68.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.884 -1.053 . . . . 2.02 112.01 -173.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.8 tp -72.68 -31.37 64.99 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.254 -0.43 . . . . 0.54 111.653 -174.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.412 ' HG2' ' OD1' ' A' ' 11' ' ' ASP . 29.9 mmmt -64.11 -45.6 87.88 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.88 -0.328 . . . . 1.82 110.458 177.284 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.413 ' SG ' ' HB2' ' A' ' 4' ' ' CYS . 74.7 m -63.39 -43.62 97.05 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.295 -0.631 . . . . 1.33 109.295 175.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.684 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 48.3 t60 -55.75 -55.06 36.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.988 -1.006 . . . . 0.37 110.45 177.008 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -57.8 -35.99 71.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.521 -0.763 . . . . 0.54 112.206 -178.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.539 ' CE1' HD11 ' A' ' 22' ' ' ILE . 14.8 t60 -62.16 -45.2 94.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.061 0.458 . . . . 0.46 110.359 178.394 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.605 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 35.4 m -71.27 -27.08 63.19 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.93 -0.577 . . . . 0.43 110.71 -177.579 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.684 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 2.4 mmmp? -58.91 -35.65 73.42 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.979 0.418 . . . . 0.98 111.082 -178.453 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.0 m -85.26 -4.02 59.02 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.046 -0.525 . . . . 1.35 111.507 -175.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.735 HG22 ' HG2' ' A' ' 23' ' ' LYS . 36.4 mt -99.95 136.67 30.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.575 0.226 . . . . 0.41 110.894 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.735 ' HG2' HG22 ' A' ' 22' ' ' ILE . 13.0 ptpt 13.05 -100.34 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.059 0 O-C-N 125.086 1.491 . . . . 1.92 114.597 -176.138 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.54 26.13 5.79 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 121.11 -0.566 . . . . 0.5 112.608 -176.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.605 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 13.6 m-30 -65.0 143.24 58.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.112 0.482 . . . . 0.72 110.459 178.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -90.56 -44.38 9.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.715 -0.675 . . . . 1.74 110.303 -178.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -160.58 -174.0 29.85 Favored Glycine 0 N--CA 1.437 -1.28 0 C-N-CA 120.355 -0.926 . . . . 0.25 112.177 -178.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.573 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -154.86 160.24 29.55 Favored Glycine 0 N--CA 1.443 -0.892 0 N-CA-C 111.55 -0.62 . . . . 0.35 111.55 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.9 p90 -160.67 158.37 28.69 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 110.238 -0.282 . . . . 0.89 110.238 -177.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.566 ' SG ' ' HG2' ' A' ' 10' ' ' GLU . 5.6 m -71.81 115.9 11.56 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.032 -0.729 . . . . 0.58 109.032 177.075 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.1 -39.0 14.94 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.036 0.445 . . . . 0.42 111.905 -172.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.431 ' HA ' ' HE3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -129.64 71.54 1.44 Allowed 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 120.843 -0.343 . . . . 2.82 111.87 -176.692 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 69.32 39.36 81.54 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.715 -0.755 . . . . 1.69 112.408 171.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.896 ' HA2' ' SG ' ' A' ' 4' ' ' CYS . . . 75.02 -4.49 38.64 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.851 -0.69 . . . . 0.89 113.9 178.096 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -80.4 -12.69 59.54 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.937 0.369 . . . . 1.09 111.654 -176.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.437 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 1.5 p -152.12 132.16 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.95 0.405 . . . . 0.79 111.659 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 99.9 m -96.78 92.38 6.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.619 -0.719 . . . . 1.27 109.781 174.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.556 ' HG2' ' N ' ' A' ' 39' ' ' CYS . 40.1 tttp -73.29 159.78 32.86 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.725 -0.472 . . . . 1.49 109.725 177.131 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.556 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 56.2 m -127.82 158.62 37.24 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.791 -0.448 . . . . 0.36 109.791 -178.396 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 18.8 p90 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.733 -0.651 . . . . 1.15 109.655 179.764 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.471 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 93.4 m-85 . . . . . 0 N--CA 1.452 -0.349 0 CA-C-O 121.156 0.503 . . . . 1.01 110.708 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.512 ' HA3' ' HG2' ' A' ' 14' ' ' LYS . . . 108.6 -56.56 0.46 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.72 -0.752 . . . . 0.89 113.672 175.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.801 ' SG ' ' HA2' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -58.45 -61.86 2.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 119.684 -0.198 . . . . 1.67 111.145 -177.261 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 17.2 m120 57.09 31.89 20.75 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 120.959 0.409 . . . . 1.68 111.887 175.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 97.5 168.91 32.77 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.542 -0.837 . . . . 0.55 112.666 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -52.31 -36.7 69.24 Favored 'Trans proline' 0 N--CA 1.475 0.392 0 C-N-CA 124.38 3.387 . . . . 0.72 114.171 -177.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 3.4 m95 -54.54 -41.97 70.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.682 -0.69 . . . . 2.6 111.293 -173.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.3 -61.47 1.48 Allowed 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.956 -0.757 . . . . 2.02 108.956 -179.129 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.673 ' HA ' ' SG ' ' A' ' 4' ' ' CYS . 13.4 tt0 50.9 57.0 7.13 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.916 -1.038 . . . . 1.86 112.129 172.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.551 ' H ' ' HA ' ' A' ' 4' ' ' CYS . 6.2 t70 -82.63 89.61 6.73 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.049 -0.722 . . . . 2.14 109.049 173.094 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.611 ' HA ' ' SG ' ' A' ' 30' ' ' CYS . 16.3 t70 -67.24 -36.73 82.25 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.825 -0.625 . . . . 2.02 111.053 -174.427 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 25.2 tp -65.57 -34.22 77.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.872 -0.604 . . . . 0.54 111.106 -178.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.512 ' HG2' ' HA3' ' A' ' 3' ' ' GLY . 4.6 tppt? -60.29 -43.21 96.46 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 110.011 -0.366 . . . . 1.82 110.011 176.503 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 71.1 m -58.67 -46.54 86.99 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 121.228 0.537 . . . . 1.33 109.795 175.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.692 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 70.8 t60 -57.58 -55.58 32.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.25 -0.886 . . . . 0.37 110.355 176.448 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -57.63 -36.06 71.32 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.64 -0.709 . . . . 0.54 112.069 -178.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.483 ' CE1' HD11 ' A' ' 22' ' ' ILE . 19.9 t60 -60.64 -48.15 83.08 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.694 0.283 . . . . 0.46 110.983 178.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.482 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 34.2 m -70.32 -23.45 62.84 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.379 -0.373 . . . . 0.43 111.072 -176.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.692 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 1.9 mmmp? -60.49 -33.46 72.64 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.98 0.419 . . . . 0.98 111.302 -178.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.4 m -95.05 4.53 53.64 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.005 -0.543 . . . . 1.35 111.673 -175.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.606 HG22 ' HG2' ' A' ' 23' ' ' LYS . 43.5 mt -95.96 135.52 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 110.223 -0.288 . . . . 0.41 110.223 176.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.606 ' HG2' HG22 ' A' ' 22' ' ' ILE . 1.1 ptpp? 12.75 -92.45 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.007 0 O-C-N 125.072 1.483 . . . . 1.92 114.623 -174.179 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.47 26.69 3.47 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.626 -0.797 . . . . 0.5 112.702 -177.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.482 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 13.3 m-30 -63.95 153.98 35.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.349 0.595 . . . . 0.72 110.982 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.452 ' HB3' ' O ' ' A' ' 40' ' ' TYR . 77.0 tttt -89.74 -46.34 8.67 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.38 -0.827 . . . . 1.74 110.374 -178.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -168.12 -167.63 29.06 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.773 -0.727 . . . . 0.25 112.137 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.408 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -152.93 166.33 31.4 Favored Glycine 0 N--CA 1.446 -0.687 0 N-CA-C 111.38 -0.688 . . . . 0.35 111.38 178.48 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.409 ' CE2' ' HD3' ' A' ' 38' ' ' LYS . 12.8 p90 -163.11 157.61 20.88 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.842 0.353 . . . . 0.89 110.4 -179.728 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.611 ' SG ' ' HA ' ' A' ' 12' ' ' ASP . 35.5 m -77.47 106.73 9.43 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.337 -0.616 . . . . 0.58 109.337 176.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.27 -45.95 18.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.291 -0.413 . . . . 0.42 111.929 -171.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -105.76 50.15 0.79 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.505 -0.316 . . . . 2.82 111.117 -176.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.41 38.42 93.54 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.694 -0.765 . . . . 1.69 112.815 174.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.801 ' HA2' ' SG ' ' A' ' 4' ' ' CYS . . . 99.51 -14.65 60.61 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.562 -0.827 . . . . 0.89 113.412 176.389 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -76.36 -9.66 58.81 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 112.296 0.48 . . . . 1.09 112.296 -176.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.538 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 3.5 p -159.62 135.53 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.187 0.518 . . . . 0.79 111.745 -177.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.471 ' SG ' ' HB2' ' A' ' 2' ' ' PHE . 66.0 m -99.56 90.77 4.61 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.129 -0.942 . . . . 1.27 109.251 175.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.559 ' HG2' ' N ' ' A' ' 39' ' ' CYS . 38.9 tttp -78.44 158.59 28.63 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.455 -0.572 . . . . 1.49 109.455 178.331 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.559 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 35.2 m -125.63 153.04 44.37 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.497 -0.557 . . . . 0.36 109.497 -178.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.452 ' O ' ' HB3' ' A' ' 26' ' ' LYS . 21.4 p90 . . . . . 0 C--O 1.246 0.899 0 CA-C-O 118.071 -0.966 . . . . 1.15 109.387 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 . . . . . 0 N--CA 1.465 0.296 0 CA-C-O 120.965 0.412 . . . . 1.01 111.936 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.447 ' HA3' ' HB3' ' A' ' 14' ' ' LYS . . . 88.09 -38.36 3.19 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.73 -0.748 . . . . 0.89 112.986 175.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.873 ' SG ' ' HA2' ' A' ' 34' ' ' GLY . 35.9 t -81.14 -42.27 21.16 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.014 -0.365 . . . . 1.67 110.014 178.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 65.0 -39.31 0.26 Allowed 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 115.517 1.673 . . . . 1.68 115.517 170.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.439 ' C ' ' HA3' ' A' ' 34' ' ' GLY . . . 173.3 -177.06 45.88 Favored Glycine 0 N--CA 1.443 -0.837 0 N-CA-C 111.558 -0.617 . . . . 0.55 111.558 -173.347 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -61.63 -43.15 28.25 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 122.738 2.292 . . . . 0.72 112.421 -175.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -73.79 -28.09 61.47 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.32 -0.855 . . . . 2.6 110.706 -175.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.517 ' HB2' ' O ' ' A' ' 4' ' ' CYS . 10.3 mm100 -98.58 -4.09 34.86 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.261 -0.881 . . . . 2.02 110.921 -171.451 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.779 ' HG2' ' SG ' ' A' ' 4' ' ' CYS . 0.8 OUTLIER -46.87 97.52 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 O-C-N 124.289 0.993 . . . . 1.86 113.45 -174.103 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -114.25 111.16 21.08 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.837 -0.801 . . . . 2.14 108.837 170.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -61.83 -39.46 91.87 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.295 -0.866 . . . . 2.02 111.784 -173.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.436 ' HG ' ' ND2' ' A' ' 17' ' ' ASN . 23.8 tp -71.39 -39.61 71.06 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 120.748 -0.381 . . . . 0.54 111.192 -176.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.447 ' HB3' ' HA3' ' A' ' 3' ' ' GLY . 7.0 mmmm -58.58 -43.92 89.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.697 0.284 . . . . 1.82 110.86 176.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.4 t -64.83 -42.9 94.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.291 0.567 . . . . 1.33 109.631 177.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.688 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 63.0 t60 -58.55 -52.29 66.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.48 -0.782 . . . . 0.37 110.165 176.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.436 ' ND2' ' HG ' ' A' ' 13' ' ' LEU . 86.1 m-20 -61.17 -33.89 74.15 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.286 -0.87 . . . . 0.54 112.541 -178.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.483 ' CE1' HD11 ' A' ' 22' ' ' ILE . 9.8 t60 -58.24 -46.74 85.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.05 0.452 . . . . 0.46 110.178 177.168 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.517 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 34.0 m -72.54 -20.27 61.37 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.999 -0.546 . . . . 0.43 110.766 -178.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.688 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 28.9 mmmt -69.24 -20.53 63.95 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.11 0.481 . . . . 0.98 110.335 178.178 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.2 m -91.28 -5.63 54.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.846 -0.615 . . . . 1.35 110.897 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.722 HG22 ' HG2' ' A' ' 23' ' ' LYS . 30.2 mt -102.11 137.17 30.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.62 -0.264 . . . . 0.41 110.865 -177.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.722 ' HG2' HG22 ' A' ' 22' ' ' ILE . 8.2 ptpt 10.17 -92.77 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.039 0 O-C-N 125.175 1.547 . . . . 1.92 114.805 -175.163 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.11 24.32 3.8 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.671 -0.776 . . . . 0.5 112.502 -177.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.517 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 14.2 m-30 -62.4 146.14 52.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.207 0.527 . . . . 0.72 110.888 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -82.49 -44.7 15.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.435 -0.802 . . . . 1.74 110.614 -177.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -170.15 -167.11 30.14 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.649 -0.786 . . . . 0.25 112.226 -178.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.614 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -153.75 156.72 26.97 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 121.125 -0.559 . . . . 0.35 112.29 -178.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.535 ' CE2' ' HD2' ' A' ' 38' ' ' LYS . 2.7 p90 -157.45 151.85 25.0 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.69 -0.485 . . . . 0.89 109.69 179.1 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.497 ' SG ' ' HG2' ' A' ' 10' ' ' GLU . 3.5 m -77.55 120.96 23.24 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.055 -0.52 . . . . 0.58 109.667 -177.203 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.44 -47.9 10.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.417 -0.356 . . . . 0.42 111.921 -171.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -131.54 77.13 1.75 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.948 0.404 . . . . 2.82 111.157 -175.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 73.77 44.08 32.97 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.82 -0.705 . . . . 1.69 112.871 170.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.873 ' HA2' ' SG ' ' A' ' 4' ' ' CYS . . . 77.7 -36.66 1.63 Allowed Glycine 0 CA--C 1.517 0.173 0 N-CA-C 114.478 0.551 . . . . 0.89 114.478 173.455 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -51.73 -48.47 63.61 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.327 0.491 . . . . 1.09 112.327 -175.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.5 p -104.5 123.67 58.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.519 0.676 . . . . 0.79 111.517 -177.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.3 t -97.96 90.34 4.88 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.642 -1.163 . . . . 1.27 109.124 179.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.535 ' HD2' ' CE2' ' A' ' 29' ' ' TYR . 8.9 tmtm? -81.85 144.74 30.81 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.703 -0.68 . . . . 1.49 109.998 -176.723 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.3 m -115.02 151.92 33.36 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.937 0.398 . . . . 0.36 110.603 -176.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 23.7 p90 . . . . . 0 C--O 1.246 0.91 0 N-CA-C 109.375 -0.602 . . . . 1.15 109.375 -179.571 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 121.25 0.548 . . . . 1.01 110.112 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 88.33 -57.52 4.22 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.631 -0.713 . . . . 0.89 111.807 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.702 ' SG ' ' HG3' ' A' ' 10' ' ' GLU . 10.8 m -87.72 93.18 9.37 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 122.184 0.992 . . . . 1.67 111.297 -178.137 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -115.92 46.42 1.54 Allowed 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 113.606 -1.634 . . . . 1.68 109.022 176.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 100.12 160.43 28.39 Favored Glycine 0 N--CA 1.441 -0.983 0 N-CA-C 110.82 -0.912 . . . . 0.55 110.82 -171.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -45.45 -37.98 15.31 Favored 'Trans proline' 0 CA--C 1.53 0.321 0 C-N-CA 124.078 3.185 . . . . 0.72 113.773 -178.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -64.33 -32.64 74.32 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.952 -0.567 . . . . 2.6 111.614 -174.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.59 -16.57 14.32 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.408 -0.36 . . . . 2.02 110.502 -176.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.702 ' HG3' ' SG ' ' A' ' 4' ' ' CYS . 50.4 tt0 -36.54 117.44 0.49 Allowed 'General case' 0 C--O 1.236 0.363 0 O-C-N 124.444 1.09 . . . . 1.86 113.669 -175.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -135.63 106.16 6.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.975 -1.012 . . . . 2.14 108.744 174.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -60.25 -41.78 93.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.421 -0.809 . . . . 2.02 111.485 -173.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 22.9 tp -72.59 -34.63 67.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.263 -0.426 . . . . 0.54 111.564 -175.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.7 tppt? -58.1 -44.01 87.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.82 0.343 . . . . 1.82 110.163 177.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.1 t -66.39 -44.02 84.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.941 -0.572 . . . . 1.33 109.763 177.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.516 ' NE2' ' HD2' ' A' ' 20' ' ' LYS . 75.1 t60 -56.07 -46.26 79.04 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.558 -0.746 . . . . 0.37 109.919 176.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -66.42 -35.17 79.64 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.558 -0.746 . . . . 0.54 111.783 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.524 ' CE1' HD11 ' A' ' 22' ' ' ILE . 7.4 t60 -62.87 -50.91 69.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.775 0.321 . . . . 0.46 111.117 179.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.556 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 60.9 m -66.89 -31.42 72.0 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.282 -0.417 . . . . 0.43 111.616 -174.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.516 ' HD2' ' NE2' ' A' ' 16' ' ' HIS . 29.4 mtpp -74.38 -12.18 60.45 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.991 0.424 . . . . 0.98 111.522 -177.351 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.3 t -87.98 -4.78 58.77 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.314 0.578 . . . . 1.35 109.442 174.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.652 HG22 ' HG2' ' A' ' 23' ' ' LYS . 36.3 mt -102.16 154.33 5.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-N 115.614 -0.721 . . . . 0.41 109.554 178.184 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.652 ' HG2' HG22 ' A' ' 22' ' ' ILE . 2.2 ptmm? -24.36 -98.44 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 116.084 1.883 . . . . 1.92 116.084 -172.377 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -102.74 10.89 56.13 Favored Glycine 0 CA--C 1.509 -0.337 0 C-N-CA 120.511 -0.852 . . . . 0.5 112.76 -171.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.556 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 4.5 m-30 -64.43 128.85 37.56 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.727 -0.471 . . . . 0.72 109.727 179.203 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -80.6 -42.04 22.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.358 0.599 . . . . 1.74 110.346 -177.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -163.13 -172.04 30.13 Favored Glycine 0 N--CA 1.439 -1.152 0 CA-C-N 115.369 -0.832 . . . . 0.25 111.5 -179.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.513 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -146.17 153.95 25.64 Favored Glycine 0 N--CA 1.444 -0.81 0 N-CA-C 111.212 -0.755 . . . . 0.35 111.212 178.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.589 ' CE2' ' HD2' ' A' ' 38' ' ' LYS . 12.7 p90 -152.82 154.67 35.62 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.231 0.539 . . . . 0.89 110.267 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.644 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 9.7 m -90.89 90.52 7.94 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 121.657 0.742 . . . . 0.58 109.631 -177.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.478 ' HB3' ' CG2' ' A' ' 36' ' ' VAL . . . -59.44 -57.01 14.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.205 -1.361 . . . . 0.42 112.719 -167.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -88.87 40.39 0.97 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.574 -0.284 . . . . 2.82 111.444 -173.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 70.45 47.59 41.85 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.47 -0.871 . . . . 1.69 112.331 175.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.93 -13.31 67.96 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.617 -0.802 . . . . 0.89 113.376 176.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -79.29 -22.43 44.63 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 117.155 0.477 . . . . 1.09 112.2 -176.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.644 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 1.7 m -132.5 152.06 35.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.267 -0.573 . . . . 0.79 110.767 178.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 48.5 t -111.51 93.15 4.32 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.669 -0.696 . . . . 1.27 109.19 171.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.589 ' HD2' ' CE2' ' A' ' 29' ' ' TYR . 8.5 tmtm? -97.86 148.36 23.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.328 -0.396 . . . . 1.49 110.261 -177.201 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 22.2 m -117.42 153.76 32.53 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.349 -0.387 . . . . 0.36 110.53 -177.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 10.3 p90 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.369 -0.824 . . . . 1.15 109.928 -179.723 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 . . . . . 0 C--O 1.233 0.218 0 CA-C-O 121.075 0.464 . . . . 1.01 110.311 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 143.4 -58.39 0.54 Allowed Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.288 -0.725 . . . . 0.89 111.288 -172.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.592 ' HA ' ' HA ' ' A' ' 10' ' ' GLU . 33.8 m -81.24 71.91 8.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.651 0.739 . . . . 1.67 109.274 174.615 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -91.61 39.6 1.01 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.648 -0.705 . . . . 1.68 109.959 -176.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 102.31 161.7 26.3 Favored Glycine 0 N--CA 1.443 -0.892 0 N-CA-C 110.683 -0.967 . . . . 0.55 110.683 -172.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -46.41 -42.99 22.51 Favored 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 123.718 2.946 . . . . 0.72 113.715 -175.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -67.74 -30.38 69.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.177 -0.465 . . . . 2.6 111.743 -174.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.419 HE21 ' HB3' ' A' ' 9' ' ' GLN . 0.1 OUTLIER -105.26 -12.23 16.17 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.307 -0.406 . . . . 2.02 110.573 -173.853 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.592 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 0.6 OUTLIER -45.72 108.06 0.12 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.872 -1.058 . . . . 1.86 112.522 -174.588 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -114.39 137.68 51.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.58 -0.737 . . . . 2.14 109.98 176.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -77.51 -31.74 53.7 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.163 -0.926 . . . . 2.02 112.294 -169.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.5 tp -100.28 -29.74 12.27 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 112.002 0.371 . . . . 0.54 112.002 -173.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -54.23 -48.66 70.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.754 0.311 . . . . 1.82 111.803 -177.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.415 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 39.9 m -78.52 -24.59 45.68 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.38 -0.528 . . . . 1.33 111.254 -176.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.706 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 61.6 t60 -64.33 -50.74 66.57 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.56 -0.904 . . . . 0.37 108.56 169.346 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 55.9 m-20 -57.18 -38.84 74.2 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.122 -0.945 . . . . 0.54 112.006 178.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.51 ' CE1' HD11 ' A' ' 22' ' ' ILE . 16.5 t60 -59.48 -47.6 84.88 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.305 -0.407 . . . . 0.46 110.936 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.573 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 31.3 m -71.71 -20.07 61.97 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.454 -0.339 . . . . 0.43 110.994 -176.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.706 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 1.9 mmmp? -65.18 -26.81 68.32 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.885 0.374 . . . . 0.98 110.695 -179.39 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.4 m -97.71 6.92 47.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.959 -0.564 . . . . 1.35 111.291 -177.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.676 HG22 ' HG2' ' A' ' 23' ' ' LYS . 32.7 mt -106.22 136.88 39.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 110.08 -0.341 . . . . 0.41 110.08 175.56 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.676 ' HG2' HG22 ' A' ' 22' ' ' ILE . 8.6 ptpt 9.53 -97.93 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.045 0 O-C-N 125.111 1.507 . . . . 1.92 114.556 -174.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -126.65 29.21 4.52 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.687 -0.768 . . . . 0.5 112.428 -178.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.573 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 13.8 m-30 -70.1 132.73 46.28 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.906 0.384 . . . . 0.72 109.998 177.032 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -83.24 -37.2 23.87 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.809 -0.632 . . . . 1.74 111.112 -175.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -163.22 -178.69 37.18 Favored Glycine 0 N--CA 1.441 -0.975 0 C-N-CA 120.404 -0.903 . . . . 0.25 112.037 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.536 ' HA3' ' SG ' ' A' ' 19' ' ' CYS . . . -151.87 151.36 23.27 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 121.054 -0.593 . . . . 0.35 111.806 -179.456 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -159.53 158.69 32.27 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.797 0.332 . . . . 0.89 110.348 -176.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.71 119.62 20.75 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.943 -0.762 . . . . 0.58 108.943 177.225 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.79 -43.03 11.55 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 111.786 0.291 . . . . 0.42 111.786 -174.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -117.01 80.62 1.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.693 -0.403 . . . . 2.82 111.849 -175.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.16 33.65 48.91 Favored Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 121.168 -0.539 . . . . 1.69 113.641 167.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.0 24.07 67.51 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.355 -0.926 . . . . 0.89 112.853 179.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -111.67 -83.5 0.58 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.897 0.379 . . . . 1.09 111.795 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.418 HG12 ' H ' ' A' ' 36' ' ' VAL . 1.6 p -70.56 115.55 10.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.617 0.722 . . . . 0.79 111.921 -174.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.511 ' SG ' ' HB2' ' A' ' 4' ' ' CYS . 76.6 m -83.57 89.77 7.15 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.576 -1.193 . . . . 1.27 110.618 176.039 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.536 ' HG2' ' N ' ' A' ' 39' ' ' CYS . 35.7 tttp -73.18 158.86 34.44 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.025 -0.989 . . . . 1.49 109.73 176.149 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.536 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 32.1 m -129.32 158.5 38.94 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.473 -0.936 . . . . 0.36 108.473 178.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 9.9 p90 . . . . . 0 C--O 1.244 0.77 0 CA-C-O 118.972 -0.537 . . . . 1.15 110.617 179.738 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 . . . . . 0 N--CA 1.454 -0.24 0 CA-C-O 121.16 0.505 . . . . 1.01 110.354 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.468 ' C ' ' HB2' ' A' ' 11' ' ' ASP . . . 151.82 -71.69 0.29 Allowed Glycine 0 N--CA 1.444 -0.776 0 CA-C-N 115.456 -0.793 . . . . 0.89 111.438 -177.23 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.4 m -67.89 106.4 2.29 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-O 120.946 0.403 . . . . 1.67 110.106 178.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.453 ' HB2' ' HG3' ' A' ' 9' ' ' GLN . 15.6 m120 -107.98 42.59 1.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.969 -0.56 . . . . 1.68 110.376 178.642 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 121.16 169.81 13.85 Favored Glycine 0 N--CA 1.443 -0.872 0 C-N-CA 120.826 -0.702 . . . . 0.55 111.899 -177.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -49.78 -62.35 0.43 Allowed 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 123.812 3.008 . . . . 0.72 113.257 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.463 ' CD1' ' HG2' ' A' ' 9' ' ' GLN . 0.2 OUTLIER -54.11 -26.8 29.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.369 -0.832 . . . . 2.6 112.255 -178.744 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.463 ' HG2' ' CD1' ' A' ' 8' ' ' TRP . 14.7 mm-40 -82.36 -73.86 0.37 Allowed 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.047 -0.524 . . . . 2.02 109.627 178.321 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 39.28 59.13 1.79 Allowed 'General case' 0 C--O 1.235 0.305 0 O-C-N 123.868 0.73 . . . . 1.86 112.315 -177.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.468 ' HB2' ' C ' ' A' ' 3' ' ' GLY . 1.4 m-20 -75.04 69.78 1.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.507 -0.77 . . . . 2.14 109.646 174.34 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -53.66 -50.38 65.9 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.541 -1.209 . . . . 2.02 111.412 -176.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.401 ' O ' ' HB3' ' A' ' 16' ' ' HIS . 24.5 tp -66.73 -33.68 76.16 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.321 -0.854 . . . . 0.54 111.918 -175.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -37.56 77.75 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.681 -0.488 . . . . 1.82 109.681 179.551 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.42 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 67.6 m -71.04 -37.23 72.56 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 109.932 -0.396 . . . . 1.33 109.932 174.415 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.71 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 31.6 t60 -54.68 -57.96 9.42 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.615 -0.513 . . . . 0.37 109.615 171.059 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -59.3 -30.57 68.43 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.2 -0.909 . . . . 0.54 111.924 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.436 ' CE1' HD11 ' A' ' 22' ' ' ILE . 16.8 t60 -64.4 -49.7 70.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.713 0.292 . . . . 0.46 110.333 174.213 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.628 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 37.8 m -65.4 -30.7 71.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.366 -0.379 . . . . 0.43 110.633 -179.073 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.71 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 27.7 mmmt -55.63 -39.73 71.23 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.207 0.527 . . . . 0.98 110.7 178.044 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.5 m -82.28 -2.66 53.35 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.587 -0.733 . . . . 1.35 111.567 -176.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.551 HG22 ' HG2' ' A' ' 23' ' ' LYS . 39.0 mt -96.23 136.3 27.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.761 -0.459 . . . . 0.41 109.761 176.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.551 ' HG2' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER 10.88 -93.76 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.019 0 O-C-N 125.123 1.515 . . . . 1.92 114.319 -174.056 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.03 31.2 2.95 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.734 -0.746 . . . . 0.5 112.228 -178.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.628 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 13.3 m-30 -67.08 141.32 57.52 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.99 0.424 . . . . 0.72 110.528 178.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -87.17 -41.79 13.49 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.654 -0.703 . . . . 1.74 111.44 -174.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -160.62 -178.98 35.08 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.353 -0.927 . . . . 0.25 112.22 -178.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.476 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -156.83 151.65 23.03 Favored Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 111.732 -0.547 . . . . 0.35 111.732 -178.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.0 p90 -162.65 157.86 22.44 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.839 0.32 . . . . 0.89 110.675 -175.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.517 ' CB ' ' HA2' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -74.58 119.73 19.18 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.974 -0.75 . . . . 0.58 108.974 176.442 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.502 ' HB3' HG13 ' A' ' 36' ' ' VAL . . . -87.34 -49.74 7.04 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.131 0.419 . . . . 0.42 112.131 -172.551 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -117.73 79.45 1.36 Allowed 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.104 0.409 . . . . 2.82 112.104 -174.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.26 27.55 51.87 Favored Glycine 0 C--O 1.227 -0.301 0 C-N-CA 121.086 -0.578 . . . . 1.69 113.174 169.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.517 ' HA2' ' CB ' ' A' ' 30' ' ' CYS . . . 78.87 14.54 81.91 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.465 -0.874 . . . . 0.89 112.959 179.419 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -94.61 -74.06 0.56 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.241 0.543 . . . . 1.09 111.482 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.502 HG13 ' HB3' ' A' ' 31' ' ' ALA . 2.1 p -81.32 134.37 27.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.753 -0.658 . . . . 0.79 111.071 -178.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.42 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 66.5 m -106.55 101.35 10.81 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.553 0.692 . . . . 1.27 109.854 176.58 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.494 ' HG2' ' N ' ' A' ' 39' ' ' CYS . 38.9 tttp -82.62 160.5 22.46 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.775 -1.102 . . . . 1.49 109.931 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.494 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 29.9 m -131.91 152.64 50.93 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.969 -0.752 . . . . 0.36 108.969 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 31.8 p90 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 119.117 -0.468 . . . . 1.15 110.397 -179.948 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.507 ' HA2' ' HA ' ' A' ' 5' ' ' ASN . . . . . . . . 0 N--CA 1.483 1.813 0 N-CA-C 112.304 -0.318 . . . . 2.12 112.304 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 58.76 51.9 7.18 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 123.144 0.577 . . . . 1.01 112.012 176.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.481 ' HA3' ' HB3' ' A' ' 14' ' ' LYS . . . 84.48 -36.42 2.95 Favored Glycine 0 N--CA 1.452 -0.238 0 CA-C-N 115.809 -0.632 . . . . 0.89 113.595 173.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.85 ' SG ' ' HG2' ' A' ' 10' ' ' GLU . 13.3 t -76.69 -57.46 3.84 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.053 -0.721 . . . . 1.67 109.053 177.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.507 ' HA ' ' HA2' ' A' ' 1' ' ' GLY . 26.9 m120 69.78 -46.12 0.59 Allowed 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.872 1.064 . . . . 1.68 113.872 169.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 174.96 -177.94 46.86 Favored Glycine 0 N--CA 1.442 -0.935 0 N-CA-C 111.646 -0.581 . . . . 0.55 111.646 -176.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -61.51 -34.22 86.04 Favored 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.823 2.349 . . . . 0.72 112.818 -175.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 2.1 m95 -56.75 -42.65 79.69 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.253 -0.885 . . . . 2.6 110.955 -174.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -105.83 -75.76 0.62 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.724 -0.671 . . . . 2.02 110.281 179.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.85 ' HG2' ' SG ' ' A' ' 4' ' ' CYS . 1.4 tm-20 58.13 74.98 0.4 Allowed 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 123.805 0.691 . . . . 1.86 112.091 176.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.51 ' H ' ' HA ' ' A' ' 4' ' ' CYS . 8.5 m-20 -97.42 99.21 10.64 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.61 -0.723 . . . . 2.14 109.355 170.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -60.2 -40.19 89.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.778 -0.646 . . . . 2.02 111.328 -175.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.7 tp -64.87 -30.61 71.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.276 -0.42 . . . . 0.54 111.156 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.481 ' HB3' ' HA3' ' A' ' 3' ' ' GLY . 25.3 mmmt -63.04 -44.22 96.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.975 0.417 . . . . 1.82 110.058 175.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.8 t -62.71 -47.38 83.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.667 -0.697 . . . . 1.33 109.446 175.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.728 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 47.6 t60 -51.97 -55.11 22.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.418 -0.81 . . . . 0.37 110.285 175.306 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -58.06 -37.03 73.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.465 -0.789 . . . . 0.54 112.375 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -60.31 -45.96 91.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.983 0.42 . . . . 0.46 110.323 177.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.53 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 23.7 m -69.83 -25.53 63.79 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.936 -0.575 . . . . 0.43 110.821 -178.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.728 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 27.8 mmmt -63.65 -31.33 72.47 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.21 0.528 . . . . 0.98 110.547 179.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.1 m -82.35 -6.54 59.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.667 -0.697 . . . . 1.35 111.2 -178.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.421 HG22 ' HG2' ' A' ' 23' ' ' LYS . 27.3 mt -96.98 144.67 10.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.898 -0.408 . . . . 0.41 109.898 179.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.421 ' HG2' HG22 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -6.32 -92.47 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 115.196 1.554 . . . . 1.92 115.196 -174.766 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -126.4 30.68 4.21 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.706 -0.759 . . . . 0.5 112.335 -176.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.53 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 8.5 m-30 -73.14 135.07 44.65 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.078 0.466 . . . . 0.72 109.86 177.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -82.12 -47.33 12.68 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.65 -0.704 . . . . 1.74 111.016 -174.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -158.24 -176.13 29.95 Favored Glycine 0 N--CA 1.44 -1.056 0 C-N-CA 120.58 -0.819 . . . . 0.25 111.541 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.49 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -148.04 149.94 22.08 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.5 -0.857 . . . . 0.35 112.103 -178.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.58 ' CE2' ' HD2' ' A' ' 38' ' ' LYS . 25.9 p90 -146.44 150.17 35.1 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.087 0.47 . . . . 0.89 110.28 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.41 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 3.4 m -75.06 118.86 18.47 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 109.064 -0.717 . . . . 0.58 109.064 177.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.475 ' HB3' HG13 ' A' ' 36' ' ' VAL . . . -84.47 -46.74 11.34 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.036 0.384 . . . . 0.42 112.036 -172.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -121.89 70.47 0.96 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 111.941 0.349 . . . . 2.82 111.941 -174.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 73.49 45.68 28.54 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.77 -0.729 . . . . 1.69 112.665 171.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.834 ' HA2' ' SG ' ' A' ' 4' ' ' CYS . . . 82.41 -31.6 2.92 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.964 -0.636 . . . . 0.89 113.717 176.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -54.63 -67.44 0.27 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.51 0.559 . . . . 1.09 112.51 -174.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.475 HG13 ' HB3' ' A' ' 31' ' ' ALA . 2.1 p -91.85 131.52 38.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 121.321 0.581 . . . . 0.79 112.162 -173.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.5 t -97.21 97.69 9.38 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.875 -1.057 . . . . 1.27 109.943 178.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.58 ' HD2' ' CE2' ' A' ' 29' ' ' TYR . 9.3 tmtm? -90.29 143.85 26.38 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.905 -0.589 . . . . 1.49 110.106 179.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.406 ' N ' ' HD3' ' A' ' 38' ' ' LYS . 35.9 m -123.74 156.86 35.23 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.013 -0.54 . . . . 0.36 110.287 -174.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 13.5 p90 . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.341 -0.838 . . . . 1.15 110.449 179.056 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.727 0 N-CA-C 111.589 -0.605 . . . . 2.12 111.589 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -123.48 2.97 9.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.902 0.382 . . . . 1.01 111.098 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 170.59 -79.65 0.09 OUTLIER Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 120.618 -0.801 . . . . 0.89 112.139 -177.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.416 ' O ' ' HB2' ' A' ' 5' ' ' ASN . 39.1 m -55.91 -54.84 39.76 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 111.452 0.167 . . . . 1.67 111.452 -177.113 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' A' ' 4' ' ' CYS . 32.2 m-80 71.11 -50.31 0.68 Allowed 'General case' 0 C--N 1.342 0.249 0 C-N-CA 123.751 0.82 . . . . 1.68 112.649 176.09 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -178.24 151.67 10.83 Favored Glycine 0 N--CA 1.44 -1.098 0 N-CA-C 111.04 -0.824 . . . . 0.55 111.04 -177.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -41.21 -38.69 3.47 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 124.532 3.488 . . . . 0.72 114.169 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -53.74 -42.83 68.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.491 -0.777 . . . . 2.6 111.168 -175.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.448 ' HG3' ' H ' ' A' ' 10' ' ' GLU . 6.9 pt20 -108.98 -56.6 2.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.769 -0.65 . . . . 2.02 110.419 -179.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.448 ' H ' ' HG3' ' A' ' 9' ' ' GLN . 7.7 tt0 50.95 61.6 3.16 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.77 -0.65 . . . . 1.86 111.886 175.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.492 ' HB3' ' HB2' ' A' ' 14' ' ' LYS . 14.4 m-20 -72.21 90.2 1.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 2.14 110.346 178.125 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -63.91 -55.26 23.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.514 -0.767 . . . . 2.02 111.827 -174.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 45.1 tp -68.03 -30.5 69.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.407 -0.36 . . . . 0.54 111.081 -175.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.492 ' HB2' ' HB3' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -67.45 -35.2 78.74 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.771 -0.455 . . . . 1.82 109.771 177.92 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 52.7 t -65.63 -46.72 78.15 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.148 -0.686 . . . . 1.33 109.148 173.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.717 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 58.0 t60 -53.23 -52.48 58.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.197 -0.91 . . . . 0.37 110.297 175.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -61.83 -32.17 72.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.637 -0.71 . . . . 0.54 112.462 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.487 ' CE1' HD11 ' A' ' 22' ' ' ILE . 16.2 t60 -61.11 -47.17 87.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.045 0.45 . . . . 0.46 109.841 175.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.533 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 34.9 m -69.64 -27.46 65.07 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.893 -0.594 . . . . 0.43 110.797 -178.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.717 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 1.9 mmmp? -61.83 -30.89 71.14 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 121.391 0.615 . . . . 0.98 110.283 177.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.1 m -89.67 2.95 54.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.277 -0.874 . . . . 1.35 111.253 -175.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.619 HG22 ' HG2' ' A' ' 23' ' ' LYS . 31.0 mt -105.23 135.84 41.62 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 CA-C-N 116.414 -0.357 . . . . 0.41 110.091 175.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.619 ' HG2' HG22 ' A' ' 22' ' ' ILE . 1.6 ptpp? 7.87 -100.09 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.061 0 O-C-N 125.186 1.554 . . . . 1.92 114.624 -174.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.24 30.24 4.82 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.759 -0.734 . . . . 0.5 112.414 -177.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.533 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 12.1 m-30 -65.7 149.97 49.26 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.122 0.487 . . . . 0.72 110.349 177.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.501 ' HB3' ' OXT' ' A' ' 40' ' ' TYR . 58.5 tttp -89.53 -49.18 6.83 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.76 -0.655 . . . . 1.74 110.72 -175.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -163.89 -172.72 31.72 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.326 -0.94 . . . . 0.25 112.422 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.455 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -145.93 156.6 27.05 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 121.138 -0.554 . . . . 0.35 111.806 179.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.473 ' CE2' ' HD3' ' A' ' 38' ' ' LYS . 13.9 p90 -157.78 161.94 38.46 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.16 0.505 . . . . 0.89 110.884 -177.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.487 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 3.6 m -82.97 108.78 16.53 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.679 -0.691 . . . . 0.58 110.043 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.47 ' HB3' ' CG2' ' A' ' 36' ' ' VAL . . . -80.17 -62.04 1.8 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.34 0.59 . . . . 0.42 111.159 -176.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.674 ' HB3' HG13 ' A' ' 36' ' ' VAL . 51.3 tptt -88.27 54.21 2.99 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.907 -0.588 . . . . 2.82 111.193 -175.081 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.76 34.23 86.68 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.974 -0.631 . . . . 1.69 113.122 171.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.487 ' HA2' ' HB3' ' A' ' 30' ' ' CYS . . . 100.04 -26.97 22.46 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.481 -0.866 . . . . 0.89 113.117 177.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -67.67 -19.59 65.2 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.259 0.466 . . . . 1.09 112.259 -174.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.674 HG13 ' HB3' ' A' ' 32' ' ' LYS . 1.3 m -126.99 161.94 32.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.538 -0.465 . . . . 0.79 110.483 -179.048 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 40.6 t -124.47 98.8 5.9 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.932 -0.766 . . . . 1.27 108.932 175.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.598 ' HG2' ' N ' ' A' ' 39' ' ' CYS . 45.6 tttp -94.71 160.83 14.44 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.368 -0.378 . . . . 1.49 110.228 -178.289 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.598 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 62.4 m -126.15 158.93 34.27 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.89 -0.411 . . . . 0.36 109.89 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.501 ' OXT' ' HB3' ' A' ' 26' ' ' LYS . 34.0 p90 . . . . . 0 C--O 1.248 0.979 0 N-CA-C 109.138 -0.69 . . . . 1.15 109.138 176.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.755 0 N-CA-C 112.172 -0.371 . . . . 2.12 112.172 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -132.78 65.21 1.59 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.321 0.582 . . . . 1.01 110.385 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 102.33 -57.7 0.61 Allowed Glycine 0 N--CA 1.444 -0.806 0 CA-C-N 115.561 -0.745 . . . . 0.89 111.416 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.6 m -70.74 103.69 2.65 Favored 'General case' 0 N--CA 1.441 -0.906 0 N-CA-C 109.874 -0.417 . . . . 1.67 109.874 177.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.533 ' H ' ' HB2' ' A' ' 9' ' ' GLN . 15.8 m120 -117.62 38.24 3.67 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.449 0.642 . . . . 1.68 109.888 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 120.11 162.27 11.8 Favored Glycine 0 N--CA 1.441 -0.998 0 N-CA-C 110.8 -0.92 . . . . 0.55 110.8 -174.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.56 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 2.9 Cg_endo -49.77 -34.58 36.38 Favored 'Trans proline' 0 CA--C 1.528 0.212 0 C-N-CA 123.427 2.752 . . . . 0.72 113.149 179.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 3.0 m95 -82.85 -15.62 50.81 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.842 -0.617 . . . . 2.6 111.329 -174.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.533 ' HB2' ' H ' ' A' ' 5' ' ' ASN . 0.0 OUTLIER -108.18 -2.4 19.44 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.22 -0.445 . . . . 2.02 110.107 -176.449 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.502 ' HG2' ' SG ' ' A' ' 30' ' ' CYS . 0.3 OUTLIER -41.56 115.71 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.629 -1.168 . . . . 1.86 111.761 177.784 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -137.19 116.64 12.79 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.887 -0.597 . . . . 2.14 109.805 177.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -63.9 -44.78 91.93 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.764 -1.107 . . . . 2.02 111.627 -176.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.0 tp -72.79 -36.41 67.58 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 111.974 0.361 . . . . 0.54 111.974 -172.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -60.15 -45.92 91.42 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.799 0.333 . . . . 1.82 110.527 177.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.1 t -67.91 -40.41 83.4 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.508 -0.553 . . . . 1.33 109.508 177.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.716 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 49.6 t60 -55.34 -53.3 57.93 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 115.821 -0.627 . . . . 0.37 110.031 175.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 58.2 m-20 -56.48 -37.78 70.83 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.097 -0.956 . . . . 0.54 111.98 -179.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.509 ' CE1' HD11 ' A' ' 22' ' ' ILE . 9.4 t60 -60.53 -47.22 87.12 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.098 0.475 . . . . 0.46 110.767 176.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.44 ' SG ' ' HA3' ' A' ' 28' ' ' GLY . 30.9 m -69.98 -17.15 63.28 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.866 -0.606 . . . . 0.43 111.092 -176.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.716 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 28.1 mmmt -71.21 -24.6 62.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.102 0.477 . . . . 0.98 110.54 -179.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.0 t -86.32 -11.96 50.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.856 -0.611 . . . . 1.35 110.373 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.69 HG22 ' HG2' ' A' ' 23' ' ' LYS . 21.6 mt -97.44 139.49 19.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.541 -0.3 . . . . 0.41 110.402 -178.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.69 ' HG2' HG22 ' A' ' 22' ' ' ILE . 4.2 ptmm? -1.31 -95.73 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 115.332 1.604 . . . . 1.92 115.332 -172.267 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.11 20.27 7.14 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.565 -0.826 . . . . 0.5 112.53 -175.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.425 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 12.4 m-30 -61.82 124.66 21.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.112 0.482 . . . . 0.72 109.756 177.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -67.57 -45.76 74.66 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.519 -0.764 . . . . 1.74 110.805 -175.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -166.15 -166.36 25.05 Favored Glycine 0 N--CA 1.438 -1.211 0 CA-C-N 115.42 -0.809 . . . . 0.25 111.314 -178.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.529 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -154.0 171.77 32.66 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.376 -0.916 . . . . 0.35 112.546 -177.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -169.07 157.09 7.6 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.631 -0.507 . . . . 0.89 109.631 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.528 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 5.6 m -75.25 109.32 8.66 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.867 -0.79 . . . . 0.58 108.867 177.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.454 ' HB3' HG13 ' A' ' 36' ' ' VAL . . . -68.8 -44.18 74.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.42 111.844 -169.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -127.72 82.96 2.12 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.26 -0.427 . . . . 2.82 110.981 -175.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.56 ' O ' ' HA ' ' A' ' 7' ' ' PRO . . . 86.97 -53.54 4.5 Favored Glycine 0 N--CA 1.452 -0.3 0 CA-C-N 115.894 -0.593 . . . . 1.69 112.371 170.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.528 ' HA2' ' HB3' ' A' ' 30' ' ' CYS . . . 159.7 31.7 0.02 OUTLIER Glycine 0 C--O 1.22 -0.752 0 C-N-CA 121.035 -0.602 . . . . 0.89 112.037 179.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -109.48 -59.73 1.87 Allowed 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 121.32 0.581 . . . . 1.09 110.577 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.454 HG13 ' HB3' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -88.2 130.1 38.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 115.327 -0.852 . . . . 0.79 111.286 -175.85 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 47.6 t -95.1 91.66 6.44 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.36 -0.836 . . . . 1.27 108.927 177.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -82.47 142.1 32.17 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.365 -0.834 . . . . 1.49 110.494 -178.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 57.2 m -124.84 157.86 34.85 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.489 -0.778 . . . . 0.36 109.31 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.246 0.871 0 CA-C-O 119.063 -0.494 . . . . 1.15 110.857 178.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.479 ' HA3' ' ND2' ' A' ' 5' ' ' ASN . . . . . . . . 0 N--CA 1.48 1.614 0 N-CA-C 111.98 -0.448 . . . . 2.12 111.98 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -132.28 14.21 4.62 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.777 0.322 . . . . 1.01 111.205 -177.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.418 ' O ' ' HB2' ' A' ' 11' ' ' ASP . . . 157.4 -59.48 0.35 Allowed Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.06 -1.067 . . . . 0.89 112.798 179.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 47.9 m -57.36 -62.82 1.5 Allowed 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 122.135 0.174 . . . . 1.67 111.01 -178.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.479 ' ND2' ' HA3' ' A' ' 1' ' ' GLY . 5.0 m120 57.46 44.69 20.94 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.307 0.484 . . . . 1.68 112.307 175.335 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 86.25 152.75 21.16 Favored Glycine 0 N--CA 1.444 -0.819 0 C-N-CA 120.727 -0.749 . . . . 0.55 112.801 175.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -47.86 -32.34 17.19 Favored 'Trans proline' 0 CA--C 1.53 0.3 0 C-N-CA 124.397 3.398 . . . . 0.72 114.028 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -48.97 -48.37 43.3 Favored 'General case' 0 CA--C 1.521 -0.172 0 C-N-CA 123.696 0.798 . . . . 2.6 110.392 -176.127 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -109.57 -54.78 2.51 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.069 -0.969 . . . . 2.02 110.384 179.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 48.08 58.16 5.38 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 123.748 0.655 . . . . 1.86 111.198 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.475 ' HB3' ' HB2' ' A' ' 14' ' ' LYS . 21.4 m-20 -72.7 93.02 1.59 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.88 -0.6 . . . . 2.14 110.659 -178.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -56.88 -54.23 48.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.665 -1.152 . . . . 2.02 112.165 -176.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 25.8 tp -66.39 -30.02 70.3 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.346 -0.388 . . . . 0.54 111.125 -175.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.475 ' HB2' ' HB3' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -64.02 -39.87 95.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.704 0.287 . . . . 1.82 110.357 177.647 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.2 t -63.57 -45.84 88.65 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.302 -0.629 . . . . 1.33 109.302 175.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.697 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 45.3 t60 -54.56 -53.8 49.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.403 -0.817 . . . . 0.37 110.29 175.263 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -60.86 -31.32 70.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.455 -0.793 . . . . 0.54 112.48 -178.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.452 ' CE1' HD11 ' A' ' 22' ' ' ILE . 7.5 t60 -62.67 -48.53 78.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.057 0.456 . . . . 0.46 109.986 175.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.49 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 36.5 m -67.55 -23.73 65.46 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.721 -0.672 . . . . 0.43 110.794 -178.273 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.697 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 2.0 mmmp? -66.15 -23.67 66.52 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.315 0.579 . . . . 0.98 110.51 178.165 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.5 m -90.61 2.38 55.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.509 -0.769 . . . . 1.35 110.726 -178.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.765 HG22 ' HG2' ' A' ' 23' ' ' LYS . 22.0 mt -108.95 137.51 40.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 116.341 -0.391 . . . . 0.41 110.586 178.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.765 ' HG2' HG22 ' A' ' 22' ' ' ILE . 9.5 ptpt 5.16 -96.65 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.571 1.548 . . . . 1.92 115.031 -175.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -126.43 29.59 4.48 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.838 -0.696 . . . . 0.5 112.046 -178.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.49 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 12.8 m-30 -68.54 130.32 42.5 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.236 0.541 . . . . 0.72 110.305 177.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.507 ' HB3' ' OXT' ' A' ' 40' ' ' TYR . 50.1 tttp -76.06 -42.04 48.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.326 -0.852 . . . . 1.74 111.169 -174.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -165.48 -173.78 34.38 Favored Glycine 0 N--CA 1.441 -0.98 0 C-N-CA 120.409 -0.9 . . . . 0.25 112.151 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.484 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -149.03 152.47 24.48 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 121.017 -0.611 . . . . 0.35 111.887 -179.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.521 ' CE2' ' HD2' ' A' ' 38' ' ' LYS . 15.2 p90 -151.7 154.92 37.27 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.881 0.372 . . . . 0.89 110.417 -178.153 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.463 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 4.3 m -75.17 108.82 8.18 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.821 -0.807 . . . . 0.58 108.821 176.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.526 ' HB3' HG13 ' A' ' 36' ' ' VAL . . . -73.25 -47.59 41.85 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.105 0.409 . . . . 0.42 112.105 -170.28 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 43.3 mmtm -134.74 82.77 1.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.006 0.432 . . . . 2.82 111.893 -175.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.98 29.97 21.66 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.589 -0.815 . . . . 1.69 113.851 165.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.463 ' HA2' ' HB3' ' A' ' 30' ' ' CYS . . . 73.29 9.8 77.73 Favored Glycine 0 C--O 1.225 -0.406 0 C-N-CA 120.519 -0.848 . . . . 0.89 113.016 178.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -94.47 -63.69 1.15 Allowed 'General case' 0 C--N 1.32 -0.677 0 O-C-N 122.372 -0.487 . . . . 1.09 111.342 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.526 HG13 ' HB3' ' A' ' 31' ' ' ALA . 1.4 p -87.58 130.13 37.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.219 0.533 . . . . 0.79 111.744 -174.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.2 t -97.14 93.68 6.7 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.161 -0.927 . . . . 1.27 109.188 178.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.521 ' HD2' ' CE2' ' A' ' 29' ' ' TYR . 9.4 tmtm? -92.08 142.77 27.15 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.715 -0.675 . . . . 1.49 110.227 -177.149 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 27.4 m -118.71 154.65 32.41 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.852 -0.613 . . . . 0.36 110.499 -176.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.507 ' OXT' ' HB3' ' A' ' 26' ' ' LYS . 5.4 p90 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.362 -0.828 . . . . 1.15 110.198 178.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.555 ' HA2' ' OD1' ' A' ' 5' ' ' ASN . . . . . . . . 0 N--CA 1.48 1.598 0 N-CA-C 112.199 -0.36 . . . . 2.12 112.199 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 62.91 38.15 11.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.266 0.555 . . . . 1.01 111.696 175.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.426 ' HA3' ' HB3' ' A' ' 14' ' ' LYS . . . 75.84 37.89 37.84 Favored Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 115.541 -0.754 . . . . 0.89 113.419 174.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.832 ' SG ' ' HA2' ' A' ' 34' ' ' GLY . 7.7 t -138.61 -70.47 0.42 Allowed 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.556 -0.458 . . . . 1.67 110.159 174.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.555 ' OD1' ' HA2' ' A' ' 1' ' ' GLY . 87.0 m-20 51.09 44.85 28.47 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 113.238 0.829 . . . . 1.68 113.238 173.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 91.91 160.51 36.18 Favored Glycine 0 N--CA 1.442 -0.923 0 C-N-CA 120.439 -0.886 . . . . 0.55 112.273 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -46.04 -33.08 10.72 Favored 'Trans proline' 0 CA--C 1.53 0.32 0 C-N-CA 124.145 3.23 . . . . 0.72 113.76 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 4.5 m95 -64.95 -37.94 89.33 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.82 -0.627 . . . . 2.6 111.728 -173.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.37 -9.01 13.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.702 -0.226 . . . . 2.02 111.158 -175.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.585 ' HG2' ' SG ' ' A' ' 4' ' ' CYS . 1.4 tm-20 -36.67 102.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 124.566 1.146 . . . . 1.86 112.385 177.332 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -95.75 -11.9 26.24 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.021 -0.536 . . . . 2.14 111.274 -178.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.5 t70 66.34 -74.75 0.06 Allowed 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 123.584 0.754 . . . . 2.02 112.473 -177.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.8 tp -59.45 -35.3 73.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.046 -0.525 . . . . 0.54 111.802 -174.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.426 ' HB3' ' HA3' ' A' ' 3' ' ' GLY . 2.9 mmmm -57.61 -37.22 72.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.83 0.348 . . . . 1.82 110.857 178.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 50.7 t -70.57 -41.85 71.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.242 0.544 . . . . 1.33 109.639 178.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.678 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 55.9 t60 -57.01 -49.3 76.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.602 -0.726 . . . . 0.37 109.862 174.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -60.61 -32.36 71.49 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.227 -0.897 . . . . 0.54 111.986 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.464 ' CE1' HD11 ' A' ' 22' ' ' ILE . 7.6 t60 -60.99 -48.38 82.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.027 0.441 . . . . 0.46 110.477 177.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.471 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 33.8 m -73.33 -15.86 61.38 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.011 -0.541 . . . . 0.43 111.31 -175.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.678 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 1.4 mmmp? -69.46 -26.38 64.55 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.385 0.612 . . . . 0.98 109.984 177.56 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.3 t -88.14 -3.71 58.84 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.443 -0.799 . . . . 1.35 110.397 -177.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.56 HG22 ' HG2' ' A' ' 23' ' ' LYS . 37.9 mt -98.85 143.57 13.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.104 -0.498 . . . . 0.41 110.114 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.56 ' HG2' HG22 ' A' ' 22' ' ' ILE . 1.6 ptpp? -4.76 -95.63 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 115.208 1.559 . . . . 1.92 115.208 -174.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -125.82 28.35 4.94 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.484 -0.865 . . . . 0.5 112.104 -177.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.471 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 10.6 m-30 -65.86 143.76 57.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.877 0.37 . . . . 0.72 110.381 178.172 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -82.02 -41.95 19.98 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.807 -0.633 . . . . 1.74 110.93 -176.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -172.9 -170.01 36.1 Favored Glycine 0 N--CA 1.442 -0.925 0 C-N-CA 120.807 -0.711 . . . . 0.25 111.42 -178.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.554 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -150.53 162.54 29.34 Favored Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.762 -0.732 . . . . 0.35 111.864 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -164.62 151.52 11.14 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.092 0.472 . . . . 0.89 110.162 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.507 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 38.0 m -76.23 106.19 7.71 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.16 -0.682 . . . . 0.58 109.16 177.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.73 -39.23 73.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.189 -0.46 . . . . 0.42 111.541 -169.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -122.55 72.5 1.07 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.292 -0.413 . . . . 2.82 111.262 -178.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.2 -38.98 2.04 Favored Glycine 0 C--O 1.228 -0.258 0 C-N-CA 121.155 -0.545 . . . . 1.69 113.159 171.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.832 ' HA2' ' SG ' ' A' ' 4' ' ' CYS . . . 160.57 -12.26 0.16 Allowed Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 121.024 -0.608 . . . . 0.89 112.172 -179.22 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -63.07 -38.39 91.0 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 120.948 0.404 . . . . 1.09 111.344 -178.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.507 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 1.2 p -122.98 127.3 74.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.151 0.501 . . . . 0.79 111.736 -175.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.4 t -96.46 90.37 5.36 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.2 -0.909 . . . . 1.27 108.806 174.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.6 ' HG2' ' N ' ' A' ' 39' ' ' CYS . 70.9 tttt -87.6 162.4 17.18 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.404 -0.816 . . . . 1.49 110.476 -176.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.6 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 59.7 m -125.16 156.95 37.58 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.996 -0.547 . . . . 0.36 109.607 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 29.7 p90 . . . . . 0 C--O 1.246 0.869 0 CA-C-O 118.942 -0.552 . . . . 1.15 110.098 179.16 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.789 0 N-CA-C 111.714 -0.554 . . . . 2.12 111.714 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 69.15 14.05 8.68 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.481 0.712 . . . . 1.01 111.649 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 151.51 -72.47 0.28 Allowed Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.502 -0.856 . . . . 0.89 112.434 -179.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.596 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 8.0 m -79.49 91.92 5.2 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-O 121.25 0.547 . . . . 1.67 109.76 177.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.413 ' HB2' ' HG3' ' A' ' 9' ' ' GLN . 5.0 m120 -88.71 32.35 0.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 1.68 110.129 179.248 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 134.99 156.0 7.57 Favored Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 111.325 -0.71 . . . . 0.55 111.325 -176.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -42.04 -46.47 7.03 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 124.043 3.162 . . . . 0.72 113.116 175.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -59.01 -35.46 73.3 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.995 -1.002 . . . . 2.6 110.876 -177.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.413 ' HG3' ' HB2' ' A' ' 5' ' ' ASN . 17.6 mm-40 -77.97 -68.66 0.61 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.273 -0.876 . . . . 2.02 110.035 -178.169 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.544 ' HG2' ' SG ' ' A' ' 30' ' ' CYS . 1.7 tm-20 40.65 88.75 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 O-C-N 124.588 1.18 . . . . 1.86 112.448 175.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -122.79 102.03 7.8 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.324 0.583 . . . . 2.14 110.366 -178.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -52.56 -47.52 66.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.682 -1.145 . . . . 2.02 111.808 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.7 tp -72.41 -35.3 68.34 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.213 0.449 . . . . 0.54 112.213 -171.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.4 mmmm -63.03 -44.68 95.25 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.737 -0.385 . . . . 1.82 110.779 177.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.596 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 62.1 m -66.91 -39.72 87.49 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 121.182 0.515 . . . . 1.33 109.692 175.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.715 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 58.9 t60 -55.09 -56.62 17.82 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.288 -0.869 . . . . 0.37 109.84 175.17 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -57.94 -38.64 76.33 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.112 -0.949 . . . . 0.54 112.017 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.508 ' CE1' HD11 ' A' ' 22' ' ' ILE . 7.9 t60 -55.9 -44.73 78.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.912 0.386 . . . . 0.46 110.366 176.209 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.419 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 35.2 m -75.87 -23.57 55.64 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.862 -0.608 . . . . 0.43 110.991 -178.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.715 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 27.9 mmmt -66.36 -32.78 74.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.37 0.605 . . . . 0.98 109.779 177.245 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.2 t -80.77 -4.37 54.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.231 -0.895 . . . . 1.35 110.534 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.69 HG22 ' HG2' ' A' ' 23' ' ' LYS . 43.2 mt -98.76 146.91 7.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 N-CA-C 109.702 -0.481 . . . . 0.41 109.702 177.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.69 ' HG2' HG22 ' A' ' 22' ' ' ILE . 5.5 ptmt -8.58 -93.3 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 115.407 1.632 . . . . 1.92 115.407 -173.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.26 26.7 4.12 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.382 -0.913 . . . . 0.5 112.464 -176.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.435 ' CE2' HG21 ' A' ' 22' ' ' ILE . 12.4 m-30 -61.9 153.89 27.78 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.999 0.428 . . . . 0.72 110.724 177.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.465 ' HB3' ' O ' ' A' ' 40' ' ' TYR . 54.1 tttp -89.52 -53.46 4.52 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.963 -0.562 . . . . 1.74 110.514 -177.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -160.08 -171.96 26.67 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.565 -0.826 . . . . 0.25 112.301 -179.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.585 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -154.78 162.98 31.09 Favored Glycine 0 C--O 1.227 -0.29 0 C-N-CA 120.22 -0.99 . . . . 0.35 113.147 -178.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.572 ' CE2' ' HD3' ' A' ' 38' ' ' LYS . 6.8 p90 -161.78 163.34 29.57 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.116 -0.327 . . . . 0.89 110.116 -178.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.686 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -76.68 101.14 5.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.816 0.341 . . . . 0.58 110.225 -178.472 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.498 ' HB3' ' CG2' ' A' ' 36' ' ' VAL . . . -65.98 -55.34 17.27 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 112.278 0.473 . . . . 0.42 112.278 -175.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -82.39 55.2 2.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.26 -0.427 . . . . 2.82 111.527 -176.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.57 -50.25 3.78 Favored Glycine 0 N--CA 1.45 -0.375 0 N-CA-C 111.9 -0.48 . . . . 1.69 111.9 178.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.537 ' HA2' ' CB ' ' A' ' 30' ' ' CYS . . . -177.85 23.63 0.05 OUTLIER Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 121.066 -0.588 . . . . 0.89 112.567 178.353 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -101.64 -54.85 2.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 117.532 0.666 . . . . 1.09 112.403 -176.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.686 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 1.4 m -99.85 152.18 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 C-N-CA 120.834 -0.346 . . . . 0.79 111.069 -174.075 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.3 m -99.43 88.21 3.82 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.027 -0.533 . . . . 1.27 109.808 172.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.595 ' HG2' ' N ' ' A' ' 39' ' ' CYS . 36.5 tttp -76.14 159.75 30.41 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.032 -0.729 . . . . 1.49 109.032 177.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.595 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 61.4 m -129.1 158.03 40.08 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 120.807 0.337 . . . . 0.36 110.222 -175.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.465 ' O ' ' HB3' ' A' ' 26' ' ' LYS . 25.1 p90 . . . . . 0 C--N 1.316 -0.876 0 CA-C-O 117.777 -1.106 . . . . 1.15 109.034 176.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.727 0 N-CA-C 112.085 -0.406 . . . . 2.12 112.085 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 66.74 12.69 9.0 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.53 0.732 . . . . 1.01 111.645 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 157.95 -75.67 0.21 Allowed Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 111.553 -0.619 . . . . 0.89 111.553 -176.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.3 m -67.31 95.23 0.42 Allowed 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 120.931 0.396 . . . . 1.67 110.754 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.513 ' O ' ' HG3' ' A' ' 9' ' ' GLN . 28.3 m-80 -96.28 53.18 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.214 0.531 . . . . 1.68 110.656 179.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 92.89 158.16 34.11 Favored Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 120.594 -0.812 . . . . 0.55 111.207 -176.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -46.43 -40.84 23.14 Favored 'Trans proline' 0 CA--C 1.528 0.2 0 C-N-CA 124.047 3.165 . . . . 0.72 113.345 178.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -56.42 -31.19 63.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.746 -0.661 . . . . 2.6 110.722 -177.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.513 ' HG3' ' O ' ' A' ' 5' ' ' ASN . 0.3 OUTLIER -99.29 -63.45 1.12 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.169 -0.923 . . . . 2.02 109.592 -178.564 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 44.2 52.89 6.92 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 114.581 -1.191 . . . . 1.86 110.973 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.449 ' OD1' ' HB3' ' A' ' 9' ' ' GLN . 10.1 m-20 -71.6 87.73 0.93 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.588 -0.733 . . . . 2.14 110.652 -178.391 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -62.29 -58.63 7.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.379 -0.828 . . . . 2.02 112.381 -174.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 37.7 tp -72.49 -31.39 65.33 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.536 -0.302 . . . . 0.54 111.039 -174.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -42.13 97.72 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.205 -0.665 . . . . 1.82 109.205 178.158 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.5 t -62.79 -44.02 97.26 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.524 -0.762 . . . . 1.33 110.357 175.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.648 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 48.1 t60 -58.97 -49.36 78.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.466 -0.788 . . . . 0.37 110.355 175.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.406 ' HA ' ' CG ' ' A' ' 20' ' ' LYS . 80.4 m-20 -58.83 -30.35 67.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.745 -0.661 . . . . 0.54 112.474 179.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.525 ' CE1' HD11 ' A' ' 22' ' ' ILE . 9.9 t60 -59.76 -51.2 70.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.921 0.391 . . . . 0.46 110.487 178.188 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.569 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 36.6 m -80.29 -10.78 59.76 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.127 -0.488 . . . . 0.43 111.742 -175.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.648 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 3.3 mmmp? -62.29 -33.28 74.35 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.089 0.471 . . . . 0.98 110.234 172.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.8 m -83.89 -15.54 47.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.829 -0.623 . . . . 1.35 111.437 -176.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.702 HG22 ' HG2' ' A' ' 23' ' ' LYS . 43.3 mt -87.37 142.8 12.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 121.121 -0.232 . . . . 0.41 110.424 -177.265 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.702 ' HG2' HG22 ' A' ' 22' ' ' ILE . 9.3 ptmt -3.76 -96.02 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 125.604 1.562 . . . . 1.92 115.159 -173.352 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -117.43 15.76 12.91 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.376 -0.916 . . . . 0.5 112.53 -175.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.569 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 9.0 m-30 -61.74 130.75 47.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.094 0.473 . . . . 0.72 110.225 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.421 ' HB3' ' O ' ' A' ' 40' ' ' TYR . 50.2 tttp -81.95 -40.08 22.76 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.723 -0.672 . . . . 1.74 110.918 -178.15 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -167.64 -177.12 38.85 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.591 -0.814 . . . . 0.25 111.957 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -155.38 143.73 10.21 Favored Glycine 0 N--CA 1.451 -0.349 0 N-CA-C 111.117 -0.793 . . . . 0.35 111.117 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -142.09 156.07 45.38 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 117.301 0.55 . . . . 0.89 111.537 -174.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.484 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 11.9 m -66.12 106.99 1.77 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.48 -0.782 . . . . 0.58 109.214 175.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.635 ' HB3' HG13 ' A' ' 36' ' ' VAL . . . -79.75 -42.01 25.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.929 0.395 . . . . 0.42 111.541 -172.119 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.9 mmtm -104.25 56.96 0.72 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.284 0.564 . . . . 2.82 110.515 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.29 -60.58 4.33 Favored Glycine 0 N--CA 1.443 -0.86 0 CA-C-N 115.489 -0.778 . . . . 1.69 112.274 175.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.484 ' HA2' ' HB3' ' A' ' 30' ' ' CYS . . . -168.77 34.46 0.19 Allowed Glycine 0 C--O 1.224 -0.49 0 C-N-CA 120.713 -0.756 . . . . 0.89 112.829 -176.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -122.48 -80.05 0.62 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.155 0.502 . . . . 1.09 111.036 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.635 HG13 ' HB3' ' A' ' 31' ' ' ALA . 2.0 p -73.63 136.08 26.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.594 -0.73 . . . . 0.79 111.262 -176.268 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.5 m -103.77 96.48 6.73 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.646 -0.706 . . . . 1.27 110.677 178.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.506 ' HD3' ' N ' ' A' ' 39' ' ' CYS . 1.6 tmtp? -85.28 142.07 29.64 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.846 -0.798 . . . . 1.49 108.846 175.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.506 ' N ' ' HD3' ' A' ' 38' ' ' LYS . 70.8 m -131.42 159.21 38.7 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 116.119 -0.491 . . . . 0.36 111.303 -175.117 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.421 ' O ' ' HB3' ' A' ' 26' ' ' LYS . 1.7 p90 . . . . . 0 C--O 1.243 0.729 0 CA-C-O 118.602 -0.713 . . . . 1.15 110.532 -173.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.765 0 N-CA-C 112.154 -0.378 . . . . 2.12 112.154 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 55.88 23.45 6.54 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.488 0.715 . . . . 1.01 112.844 177.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.479 ' HA3' ' HB3' ' A' ' 14' ' ' LYS . . . 127.09 -54.02 0.78 Allowed Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.273 -0.965 . . . . 0.89 113.366 -177.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.478 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 67.6 m -58.2 -51.93 67.7 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 117.056 0.428 . . . . 1.67 110.295 179.084 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 43.83 49.0 7.0 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.971 0.73 . . . . 1.68 112.971 176.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 78.07 174.96 43.82 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.894 -0.669 . . . . 0.55 113.325 177.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.462 ' HD3' ' O ' ' A' ' 33' ' ' GLY . 3.7 Cg_endo -52.82 -30.91 49.29 Favored 'Trans proline' 0 N--CA 1.473 0.27 0 C-N-CA 124.13 3.22 . . . . 0.72 113.706 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -46.88 -41.76 16.34 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 124.03 0.932 . . . . 2.6 110.866 -176.193 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.47 -57.86 1.81 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.353 -0.84 . . . . 2.02 110.236 -178.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 56.36 51.17 11.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.345 0.593 . . . . 1.86 110.488 178.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.426 ' H ' ' HA ' ' A' ' 4' ' ' CYS . 53.1 m-20 -87.76 90.5 8.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.594 -0.73 . . . . 2.14 110.519 179.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -59.85 -40.8 89.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.661 -0.7 . . . . 2.02 111.671 -177.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.4 tp -64.01 -32.03 73.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.553 -0.294 . . . . 0.54 111.621 -173.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.479 ' HB3' ' HA3' ' A' ' 3' ' ' GLY . 2.5 tppt? -63.11 -43.87 97.25 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.612 -0.514 . . . . 1.82 109.612 176.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.475 ' HA ' ' HB3' ' A' ' 18' ' ' HIS . 75.2 m -73.0 -31.58 64.58 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.978 -0.555 . . . . 1.33 110.556 178.289 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.544 ' HA ' ' N ' ' A' ' 28' ' ' GLY . 57.4 t60 -55.96 -48.1 76.41 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.784 -0.821 . . . . 0.37 108.784 169.402 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -62.54 -44.72 95.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.411 -0.813 . . . . 0.54 111.3 176.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.475 ' HB3' ' HA ' ' A' ' 15' ' ' CYS . 29.1 t60 -59.44 -49.29 78.35 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.348 -0.387 . . . . 0.46 111.511 -178.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.659 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 77.1 m -63.93 -39.94 95.32 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.786 0.327 . . . . 0.43 110.671 -178.023 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -71.33 -20.37 62.19 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.037 0.446 . . . . 0.98 111.311 -179.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.4 t -77.64 -9.96 59.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.663 -0.698 . . . . 1.35 109.93 173.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.555 HG22 ' HG2' ' A' ' 23' ' ' LYS . 40.7 mt -101.64 138.57 25.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.867 -0.606 . . . . 0.41 110.228 177.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.555 ' HG2' HG22 ' A' ' 22' ' ' ILE . 1.1 ptpp? 13.1 -96.01 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.008 0 O-C-N 124.88 1.363 . . . . 1.92 114.438 -174.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.29 27.83 3.54 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.514 -0.851 . . . . 0.5 112.795 -176.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.659 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 13.7 m-30 -66.08 138.47 57.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.114 0.483 . . . . 0.72 110.091 177.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -84.77 -39.27 18.62 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.535 -0.757 . . . . 1.74 111.137 -172.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -159.27 178.25 35.49 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.23 -0.985 . . . . 0.25 112.391 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.544 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -153.7 148.99 20.37 Favored Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 111.452 -0.659 . . . . 0.35 111.452 178.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -156.19 159.94 39.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.892 0.346 . . . . 0.89 110.536 -176.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.506 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 3.9 m -68.76 115.67 8.38 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.47 -0.937 . . . . 0.58 108.47 176.097 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.519 ' HB3' HG13 ' A' ' 36' ' ' VAL . . . -88.2 -42.41 12.32 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.435 -0.506 . . . . 0.42 111.79 -172.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -133.33 73.29 1.51 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.92 0.391 . . . . 2.82 111.531 -175.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.462 ' O ' ' HD3' ' A' ' 7' ' ' PRO . . . 77.2 36.62 34.47 Favored Glycine 0 C--O 1.224 -0.479 0 C-N-CA 120.855 -0.688 . . . . 1.69 112.99 171.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.506 ' HA2' ' HB3' ' A' ' 30' ' ' CYS . . . 80.13 -14.51 20.88 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.492 -0.861 . . . . 0.89 113.346 176.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -69.47 -67.67 0.46 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.934 0.397 . . . . 1.09 111.081 -178.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.519 HG13 ' HB3' ' A' ' 31' ' ' ALA . 1.2 p -90.86 135.41 26.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.06 -0.518 . . . . 0.79 111.21 -177.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.478 ' SG ' ' SG ' ' A' ' 4' ' ' CYS . 68.7 m -106.24 99.18 8.77 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-O 121.721 0.772 . . . . 1.27 110.38 174.341 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.43 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 24.2 tptm -71.99 143.54 49.17 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 114.345 -1.298 . . . . 1.49 110.452 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.3 m -122.15 155.1 36.46 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.762 -0.829 . . . . 0.36 108.762 178.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 26.6 p90 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.759 -0.639 . . . . 1.15 110.056 -179.438 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.759 0 N-CA-C 111.89 -0.484 . . . . 2.12 111.89 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -133.41 12.94 4.16 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.021 0.439 . . . . 1.01 110.149 178.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 160.41 -62.02 0.29 Allowed Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.631 -0.795 . . . . 0.89 112.491 -178.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -78.44 95.88 5.24 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-O 120.898 0.38 . . . . 1.67 110.723 -179.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.489 ' HB2' ' HG3' ' A' ' 9' ' ' GLN . 17.6 m120 -101.48 40.67 1.27 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.257 0.551 . . . . 1.68 109.921 176.249 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 115.82 154.37 10.4 Favored Glycine 0 N--CA 1.443 -0.881 0 CA-C-N 115.69 -0.687 . . . . 0.55 111.464 -176.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.436 ' O ' ' HB2' ' A' ' 10' ' ' GLU . 2.7 Cg_exo -42.46 -45.88 7.98 Favored 'Trans proline' 0 CA--C 1.53 0.282 0 C-N-CA 124.561 3.507 . . . . 0.72 113.622 177.104 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -54.27 -34.83 61.7 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.576 0.703 . . . . 2.6 110.53 -179.05 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.489 ' HG3' ' HB2' ' A' ' 5' ' ' ASN . 28.7 mm-40 -86.28 -71.57 0.54 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.796 -1.093 . . . . 2.02 108.673 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' A' ' 7' ' ' PRO . 8.0 tt0 47.07 41.81 11.82 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.312 -0.858 . . . . 1.86 111.965 177.001 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -73.89 92.65 2.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.16 0.505 . . . . 2.14 110.308 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -66.92 -45.03 79.14 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.186 -0.916 . . . . 2.02 111.145 -173.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 27.1 tp -65.85 -34.67 78.67 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.585 -0.734 . . . . 0.54 111.252 -176.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -58.34 -45.31 88.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.868 0.366 . . . . 1.82 110.421 175.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.0 t -67.59 -45.41 75.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.945 -0.57 . . . . 1.33 109.799 178.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.705 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 62.2 t60 -55.3 -51.58 66.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.331 -0.85 . . . . 0.37 110.282 176.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -57.97 -41.0 82.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.464 -0.789 . . . . 0.54 111.971 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.451 ' CE1' HD11 ' A' ' 22' ' ' ILE . 8.1 t60 -58.11 -46.51 85.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.862 0.363 . . . . 0.46 110.81 178.502 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.487 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 55.5 m -72.6 -17.88 61.65 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.125 -0.489 . . . . 0.43 111.149 -176.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.705 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 2.0 mmmp? -66.85 -33.29 75.28 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.336 0.588 . . . . 0.98 110.052 178.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.4 t -84.84 -0.39 53.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.469 -0.787 . . . . 1.35 111.066 -176.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.659 HG22 ' HG2' ' A' ' 23' ' ' LYS . 38.7 mt -98.97 139.8 19.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 110.345 -0.242 . . . . 0.41 110.345 179.248 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.659 ' HG2' HG22 ' A' ' 22' ' ' ILE . 0.1 OUTLIER 3.57 -99.07 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 125.45 1.5 . . . . 1.92 114.975 -174.883 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.08 28.79 5.28 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.74 -0.743 . . . . 0.5 112.29 -177.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.487 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 13.0 m-30 -66.63 152.02 46.18 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.305 0.574 . . . . 0.72 110.73 179.206 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.414 ' HB3' ' OXT' ' A' ' 40' ' ' TYR . 79.0 tttt -89.44 -48.5 7.29 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.27 -0.877 . . . . 1.74 110.302 -177.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -166.07 -167.26 26.44 Favored Glycine 0 N--CA 1.442 -0.948 0 C-N-CA 120.784 -0.722 . . . . 0.25 112.005 -179.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.538 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -152.63 163.69 30.45 Favored Glycine 0 N--CA 1.449 -0.491 0 N-CA-C 111.104 -0.798 . . . . 0.35 111.104 178.258 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -163.9 161.37 22.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.174 0.511 . . . . 0.89 111.046 -178.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.459 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 10.8 m -78.06 102.16 7.31 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.467 -0.788 . . . . 0.58 109.528 178.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.556 ' HB3' HG13 ' A' ' 36' ' ' VAL . . . -70.68 -40.9 72.66 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.119 0.415 . . . . 0.42 112.119 -169.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -99.25 51.47 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.113 0.482 . . . . 2.82 110.49 179.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.23 -62.03 4.38 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.783 -0.644 . . . . 1.69 111.561 176.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.459 ' HA2' ' HB3' ' A' ' 30' ' ' CYS . . . -164.4 26.98 0.2 Allowed Glycine 0 C--O 1.226 -0.373 0 C-N-CA 120.95 -0.643 . . . . 0.89 112.597 -177.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -109.81 -70.82 0.79 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.015 0.436 . . . . 1.09 111.53 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.556 HG13 ' HB3' ' A' ' 31' ' ' ALA . 2.3 p -85.69 135.03 25.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.895 -0.593 . . . . 0.79 111.79 -174.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.4 t -97.05 97.52 9.3 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.053 -0.976 . . . . 1.27 109.696 178.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.599 ' HG2' ' N ' ' A' ' 39' ' ' CYS . 66.8 tttt -95.76 161.18 14.13 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.764 -0.653 . . . . 1.49 109.992 178.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.599 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 56.6 m -121.71 156.94 32.01 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.563 -0.532 . . . . 0.36 109.563 178.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.414 ' OXT' ' HB3' ' A' ' 26' ' ' LYS . 29.0 p90 . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.742 -0.646 . . . . 1.15 109.459 178.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.565 ' HA3' ' ND2' ' A' ' 5' ' ' ASN . . . . . . . . 0 N--CA 1.483 1.786 0 N-CA-C 112.336 -0.306 . . . . 2.12 112.336 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 59.37 26.08 14.9 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 123.06 0.544 . . . . 1.01 111.539 178.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 130.71 -40.4 1.66 Allowed Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.662 -0.78 . . . . 0.89 112.1 -178.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.708 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 91.9 m -69.27 -75.68 0.11 Allowed 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 110.505 -0.183 . . . . 1.67 110.505 177.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.565 ' ND2' ' HA3' ' A' ' 1' ' ' GLY . 9.9 m120 52.17 38.47 24.49 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 113.175 0.806 . . . . 1.68 113.175 171.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 100.07 171.2 29.83 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.404 -0.903 . . . . 0.55 113.234 177.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.424 ' HD3' ' CE1' ' A' ' 35' ' ' PHE . 7.6 Cg_endo -53.42 -41.78 70.5 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 124.257 3.305 . . . . 0.72 114.047 -178.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 6.1 m95 -62.9 -37.6 87.59 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.74 -0.664 . . . . 2.6 111.482 -172.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.708 ' HB2' ' O ' ' A' ' 4' ' ' CYS . 2.3 mt-30 -92.12 -72.58 0.58 Allowed 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.501 -0.555 . . . . 2.02 109.501 -175.13 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 45.57 55.6 6.53 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 123.958 0.786 . . . . 1.86 111.122 173.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -83.81 120.6 26.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.245 0.545 . . . . 2.14 110.371 -177.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -66.32 -55.39 16.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.057 -0.974 . . . . 2.02 111.621 -176.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.5 tp -73.76 -33.12 64.15 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.327 -0.397 . . . . 0.54 111.806 -171.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.29 -43.3 98.3 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.853 -0.339 . . . . 1.82 110.789 177.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.4 t -63.85 -43.04 97.34 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.203 -0.666 . . . . 1.33 109.203 176.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.658 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 43.1 t60 -56.99 -55.52 33.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.423 -0.808 . . . . 0.37 110.63 175.38 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -57.63 -34.66 69.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.549 -0.751 . . . . 0.54 112.049 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.552 ' CE1' HD11 ' A' ' 22' ' ' ILE . 14.9 t60 -60.3 -49.83 76.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.085 0.469 . . . . 0.46 110.297 177.042 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.593 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 36.8 m -67.74 -29.13 68.27 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.822 -0.626 . . . . 0.43 110.828 -178.217 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.658 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 2.4 mmmp? -54.57 -36.8 64.75 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.942 0.401 . . . . 0.98 110.799 178.34 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.7 m -86.75 -3.04 59.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.858 -0.61 . . . . 1.35 111.858 -175.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.63 HG22 ' HG2' ' A' ' 23' ' ' LYS . 39.3 mt -97.31 138.17 22.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 120.981 -0.287 . . . . 0.41 110.656 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.63 ' HG2' HG22 ' A' ' 22' ' ' ILE . 10.0 ptpt 7.73 -98.82 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.439 1.496 . . . . 1.92 114.833 -175.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -120.6 25.52 7.24 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.616 -0.802 . . . . 0.5 112.456 -176.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.593 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 10.4 m-30 -67.66 152.06 46.24 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.121 0.486 . . . . 0.72 110.834 179.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -104.43 -46.33 4.41 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.899 -0.591 . . . . 1.74 110.865 -177.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -152.66 -179.61 28.36 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.63 -0.795 . . . . 0.25 111.961 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.571 ' HA3' ' SG ' ' A' ' 19' ' ' CYS . . . -155.45 149.72 20.94 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.472 -0.87 . . . . 0.35 112.787 -177.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.466 ' CE2' ' HD3' ' A' ' 38' ' ' LYS . 6.6 p90 -158.11 151.16 22.88 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.052 0.453 . . . . 0.89 110.532 -177.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.527 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 23.3 m -70.57 115.14 9.4 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.887 -0.597 . . . . 0.58 109.904 179.332 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.14 -39.77 32.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.442 -0.345 . . . . 0.42 111.902 -174.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -127.38 73.17 1.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.531 -0.304 . . . . 2.82 111.45 -175.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 62.92 35.6 92.26 Favored Glycine 0 C--O 1.227 -0.306 0 C-N-CA 121.197 -0.525 . . . . 1.69 113.239 172.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.545 ' O ' ' HB3' ' A' ' 4' ' ' CYS . . . 80.89 -1.41 84.23 Favored Glycine 0 C--O 1.223 -0.57 0 C-N-CA 120.899 -0.667 . . . . 0.89 113.548 176.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.424 ' CE1' ' HD3' ' A' ' 7' ' ' PRO . 53.8 m-85 -81.76 -9.66 59.57 Favored 'General case' 0 C--N 1.317 -0.805 0 O-C-N 122.014 -0.698 . . . . 1.09 111.277 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.527 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 1.6 p -150.26 130.68 4.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 120.989 0.423 . . . . 0.79 110.995 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.1 t -99.74 93.68 5.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.365 -0.834 . . . . 1.27 109.026 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.621 ' HG2' ' N ' ' A' ' 39' ' ' CYS . 75.6 tttt -82.01 163.07 22.37 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.712 -0.676 . . . . 1.49 110.338 -177.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.621 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 42.2 m -141.77 155.64 45.61 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.3 -0.409 . . . . 0.36 109.929 -176.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 27.0 p90 . . . . . 0 C--O 1.243 0.737 0 CA-C-O 117.606 -1.187 . . . . 1.15 109.227 177.922 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.704 0 N-CA-C 112.197 -0.361 . . . . 2.12 112.197 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.56 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 68.5 m-85 -91.42 70.33 5.98 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.032 0.444 . . . . 1.01 110.229 -178.413 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 103.22 -55.08 0.66 Allowed Glycine 0 N--CA 1.445 -0.742 0 N-CA-C 111.026 -0.83 . . . . 0.89 111.026 -178.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.449 ' HB2' ' O ' ' A' ' 34' ' ' GLY . 5.3 p -102.78 124.54 48.5 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-O 121.459 0.647 . . . . 1.67 110.229 174.536 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.526 ' H ' ' HB2' ' A' ' 9' ' ' GLN . 35.0 m-80 -110.02 21.73 16.46 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.034 -0.985 . . . . 1.68 111.069 -177.187 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 139.72 174.13 13.54 Favored Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 111.064 -0.814 . . . . 0.55 111.064 -174.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -50.75 -48.63 19.79 Favored 'Trans proline' 0 N--CA 1.472 0.214 0 C-N-CA 123.43 2.754 . . . . 0.72 113.246 -178.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -78.21 -16.22 58.07 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.673 -0.694 . . . . 2.6 110.549 -176.271 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.526 ' HB2' ' H ' ' A' ' 5' ' ' ASN . 7.8 mm100 -99.75 -5.48 28.63 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.538 -0.755 . . . . 2.02 109.983 -177.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.44 ' HA ' ' CB ' ' A' ' 4' ' ' CYS . 1.5 tm-20 -52.83 104.2 0.09 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.862 -1.063 . . . . 1.86 112.2 -176.391 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -122.46 105.65 10.34 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.796 -0.816 . . . . 2.14 108.796 174.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -62.42 -46.44 88.54 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.222 -0.899 . . . . 2.02 111.863 -172.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.0 tp -67.98 -36.76 80.57 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.71 -0.396 . . . . 0.54 111.472 -176.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -62.35 -42.54 99.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.623 0.249 . . . . 1.82 110.714 176.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.6 t -64.07 -46.12 85.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.339 0.59 . . . . 1.33 109.544 175.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.668 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 58.5 t60 -54.73 -51.65 64.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.269 -0.878 . . . . 0.37 110.415 176.297 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -61.17 -33.75 73.93 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.531 -0.758 . . . . 0.54 112.281 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.41 ' NE2' HD11 ' A' ' 22' ' ' ILE . 16.3 t60 -59.32 -44.72 92.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.018 0.437 . . . . 0.46 109.985 177.227 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.48 ' SG ' ' HA3' ' A' ' 28' ' ' GLY . 50.3 m -75.18 -17.25 60.42 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.813 -0.631 . . . . 0.43 111.289 -177.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.668 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 1.7 mmmp? -71.46 -37.18 71.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.199 0.523 . . . . 0.98 109.945 178.107 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.1 m -77.59 -11.0 59.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.346 -0.843 . . . . 1.35 111.378 -178.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.619 HG22 ' HG2' ' A' ' 23' ' ' LYS . 44.4 mt -90.27 141.65 14.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 109.759 -0.46 . . . . 0.41 109.759 177.42 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.619 ' HG2' HG22 ' A' ' 22' ' ' ILE . 6.4 ptpt 13.58 -91.04 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.15 0 O-C-N 124.989 1.431 . . . . 1.92 113.406 -175.41 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -157.7 48.33 0.45 Allowed Glycine 0 N--CA 1.438 -1.229 0 C-N-CA 120.089 -1.053 . . . . 0.5 112.436 173.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.444 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 78.6 m-85 -59.56 168.62 1.55 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.476 0.655 . . . . 0.72 111.388 172.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -89.43 -47.24 8.14 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.431 -0.804 . . . . 1.74 109.86 178.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -169.57 -172.87 36.62 Favored Glycine 0 N--CA 1.442 -0.934 0 CA-C-N 115.516 -0.766 . . . . 0.25 111.79 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.48 ' HA3' ' SG ' ' A' ' 19' ' ' CYS . . . -144.77 155.83 26.6 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.548 -0.834 . . . . 0.35 112.039 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -152.52 150.92 30.09 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.026 0.441 . . . . 0.89 110.143 178.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.605 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 4.7 m -80.85 112.65 18.43 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 109.426 -0.583 . . . . 0.58 109.426 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.62 -41.15 63.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.128 -0.487 . . . . 0.42 111.943 -170.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -120.27 72.76 0.96 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.246 0.462 . . . . 2.82 112.246 -173.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 73.75 37.82 50.99 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.696 -0.764 . . . . 1.69 113.105 168.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.449 ' O ' ' HB2' ' A' ' 4' ' ' CYS . . . 77.26 10.53 86.2 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.692 -0.765 . . . . 0.89 113.184 178.065 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -90.39 -63.18 1.31 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 117.062 0.431 . . . . 1.09 111.876 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.605 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 2.5 p -99.87 127.21 52.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.17 0.51 . . . . 0.79 111.88 -175.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.56 ' HB3' ' HB2' ' A' ' 2' ' ' PHE . 44.5 t -91.39 98.03 11.45 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.197 -0.91 . . . . 1.27 109.773 179.088 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.1 tmtm? -91.22 146.43 23.83 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.679 -0.691 . . . . 1.49 109.512 177.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.1 m -117.92 153.05 34.24 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.288 -0.414 . . . . 0.36 110.599 -174.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 18.2 p90 . . . . . 0 C--O 1.251 1.172 0 CA-C-O 118.864 -0.589 . . . . 1.15 109.798 -178.888 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.509 ' HA2' ' HA ' ' A' ' 5' ' ' ASN . . . . . . . . 0 N--CA 1.486 2.0 0 N-CA-C 112.564 -0.214 . . . . 2.12 112.564 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 59.13 38.92 23.59 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.355 0.598 . . . . 1.01 111.632 178.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.403 ' HA3' ' HE3' ' A' ' 14' ' ' LYS . . . 98.45 -19.25 55.18 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.857 -0.687 . . . . 0.89 113.084 176.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.737 ' SG ' ' HG2' ' A' ' 10' ' ' GLU . 11.4 t -94.26 -57.53 2.48 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.627 -0.429 . . . . 1.67 110.212 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.509 ' HA ' ' HA2' ' A' ' 1' ' ' GLY . 15.3 m120 70.41 -42.54 0.52 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.13 0.972 . . . . 1.68 113.566 170.014 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 178.19 172.27 42.43 Favored Glycine 0 N--CA 1.441 -1.03 0 N-CA-C 110.617 -0.993 . . . . 0.55 110.617 -177.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -52.35 -41.02 69.17 Favored 'Trans proline' 0 CA--C 1.528 0.208 0 C-N-CA 123.043 2.495 . . . . 0.72 112.714 -177.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -72.84 -32.41 65.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.107 -0.497 . . . . 2.6 111.025 -176.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.657 ' HB2' ' O ' ' A' ' 4' ' ' CYS . 4.3 mt-30 -93.6 -13.12 28.05 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.151 -0.477 . . . . 2.02 110.64 -173.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.737 ' HG2' ' SG ' ' A' ' 4' ' ' CYS . 1.2 tm-20 -45.84 117.68 1.57 Allowed 'General case' 0 C--O 1.236 0.36 0 O-C-N 124.018 0.824 . . . . 1.86 111.255 -178.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -85.76 -93.78 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.035 -0.984 . . . . 2.14 110.791 -177.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.3 t70 177.44 -64.06 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.214 -0.662 . . . . 2.02 109.214 -179.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.0 tp -104.91 -18.72 14.1 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 114.98 -1.009 . . . . 0.54 111.004 -172.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.403 ' HE3' ' HA3' ' A' ' 3' ' ' GLY . 11.2 mmmt -56.14 -41.98 76.22 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 111.657 0.243 . . . . 1.82 111.657 -179.155 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 32.3 t -64.83 -43.79 91.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.232 0.539 . . . . 1.33 109.701 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.634 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 48.7 t60 -59.81 -52.74 64.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.66 -0.7 . . . . 0.37 110.249 176.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -57.46 -38.06 73.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.385 -0.825 . . . . 0.54 112.235 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.505 ' CE1' HD11 ' A' ' 22' ' ' ILE . 8.3 t60 -55.02 -42.9 73.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.309 0.576 . . . . 0.46 110.723 178.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.52 ' SG ' ' HA3' ' A' ' 28' ' ' GLY . 19.9 m -76.75 -16.63 59.43 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.809 -0.632 . . . . 0.43 110.862 -177.408 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.634 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 1.7 mmmp? -76.35 -26.18 55.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.934 0.397 . . . . 0.98 110.642 -178.151 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.6 p -89.47 -0.93 57.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.195 -0.457 . . . . 1.35 111.382 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.559 HG22 ' HG2' ' A' ' 23' ' ' LYS . 28.6 mt -100.04 149.13 6.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.523 -0.547 . . . . 0.41 109.523 175.194 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.559 ' HG2' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -2.29 -86.13 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.122 1.369 . . . . 1.92 114.405 -175.873 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -150.46 41.1 0.81 Allowed Glycine 0 N--CA 1.441 -1.011 0 C-N-CA 119.353 -1.404 . . . . 0.5 113.564 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.442 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 90.5 m-85 -68.27 145.95 53.77 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 120.358 -0.537 . . . . 0.72 109.917 170.554 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -84.01 -40.55 18.28 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.504 -0.771 . . . . 1.74 110.513 -175.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -164.82 -175.12 35.28 Favored Glycine 0 N--CA 1.439 -1.144 0 C-N-CA 120.469 -0.872 . . . . 0.25 111.844 -179.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.52 ' HA3' ' SG ' ' A' ' 19' ' ' CYS . . . -151.34 142.17 9.26 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.529 -0.843 . . . . 0.35 112.834 -178.122 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.548 ' CE2' ' HD3' ' A' ' 38' ' ' LYS . 2.5 p90 -143.57 147.36 34.31 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.183 0.516 . . . . 0.89 110.16 -179.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.464 ' HB3' ' HA2' ' A' ' 34' ' ' GLY . 25.3 m -72.45 112.68 8.73 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.667 -0.697 . . . . 0.58 109.852 -177.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.0 -42.41 60.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.916 -0.584 . . . . 0.42 111.926 -168.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -123.71 68.45 1.03 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.821 0.343 . . . . 2.82 110.637 -176.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.33 -47.52 3.76 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.886 -0.673 . . . . 1.69 112.784 174.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.704 ' HA2' ' SG ' ' A' ' 4' ' ' CYS . . . 172.72 -27.14 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.474 -0.87 . . . . 0.89 112.486 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -52.34 -47.12 66.25 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.157 0.503 . . . . 1.09 111.807 -176.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -110.55 128.86 66.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.851 -0.613 . . . . 0.79 111.278 -175.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 50.7 t -102.04 95.56 6.43 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.355 -0.838 . . . . 1.27 108.769 177.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.551 ' HG2' ' N ' ' A' ' 39' ' ' CYS . 66.8 tttt -84.44 157.75 21.28 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.664 -0.698 . . . . 1.49 110.397 -177.257 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.551 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 54.6 m -132.74 156.97 46.07 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.03 -0.532 . . . . 0.36 109.864 -176.141 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 15.2 p90 . . . . . 0 C--O 1.241 0.653 0 CA-C-O 118.317 -0.849 . . . . 1.15 110.057 -179.873 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.685 0 N-CA-C 112.241 -0.344 . . . . 2.12 112.241 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -79.79 64.14 4.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.641 0.734 . . . . 1.01 110.337 -178.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 136.0 -68.08 0.53 Allowed Glycine 0 N--CA 1.444 -0.774 0 CA-C-N 114.747 -1.115 . . . . 0.89 110.446 -176.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.794 ' SG ' ' HA ' ' A' ' 10' ' ' GLU . 3.2 m -70.33 102.14 2.08 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-O 121.624 0.726 . . . . 1.67 110.85 175.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.463 ' H ' ' HB2' ' A' ' 9' ' ' GLN . 1.0 OUTLIER -103.23 27.68 7.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.205 -0.907 . . . . 1.68 110.588 178.407 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 126.38 170.12 12.9 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 111.187 -0.765 . . . . 0.55 111.187 -174.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -47.32 -43.86 25.63 Favored 'Trans proline' 0 CA--C 1.532 0.413 0 C-N-CA 123.706 2.938 . . . . 0.72 113.337 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.7 m95 -75.62 -14.69 60.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.284 0.564 . . . . 2.6 111.129 -175.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.463 ' HB2' ' H ' ' A' ' 5' ' ' ASN . 17.0 mm-40 -108.97 -3.26 17.64 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.362 -0.835 . . . . 2.02 109.91 -173.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.794 ' HA ' ' SG ' ' A' ' 4' ' ' CYS . 4.3 tm-20 -48.51 114.8 1.04 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.673 -1.149 . . . . 1.86 112.001 -177.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -141.47 114.34 8.5 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.445 -0.798 . . . . 2.14 109.466 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -65.3 -42.97 92.55 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.386 -0.825 . . . . 2.02 111.522 -176.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.6 tp -70.64 -36.36 73.38 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.918 -0.583 . . . . 0.54 112.005 -170.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm -62.2 -46.6 88.2 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.928 -0.309 . . . . 1.82 111.007 177.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.4 m -67.21 -37.0 82.89 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.135 0.493 . . . . 1.33 109.794 176.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.656 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 61.9 t60 -59.05 -53.38 58.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.596 -0.729 . . . . 0.37 110.185 175.295 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -57.69 -37.51 73.6 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.165 -0.925 . . . . 0.54 111.829 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.537 ' CE1' HD11 ' A' ' 22' ' ' ILE . 11.9 t60 -57.61 -46.89 83.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.981 0.42 . . . . 0.46 110.455 176.276 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.487 ' SG ' ' HA3' ' A' ' 28' ' ' GLY . 37.9 m -73.41 -20.67 60.68 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.07 -0.514 . . . . 0.43 111.168 -177.232 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.656 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 1.9 mmmp? -64.63 -26.24 68.31 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.343 0.592 . . . . 0.98 110.064 176.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.2 t -87.87 -6.97 57.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.461 -0.79 . . . . 1.35 111.038 -178.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.699 HG22 ' HG2' ' A' ' 23' ' ' LYS . 26.0 mt -102.61 140.44 20.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 120.822 -0.351 . . . . 0.41 110.739 -178.46 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.699 ' HG2' HG22 ' A' ' 22' ' ' ILE . 1.8 ptpp? -1.05 -102.32 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 115.478 1.658 . . . . 1.92 115.478 -175.473 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -114.82 27.3 8.8 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.464 -0.874 . . . . 0.5 112.46 -176.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.406 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 11.9 m-30 -74.31 131.62 41.33 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.899 0.38 . . . . 0.72 110.09 178.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -80.4 -40.95 25.47 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.868 -0.605 . . . . 1.74 111.053 -175.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -162.54 -174.84 32.92 Favored Glycine 0 N--CA 1.439 -1.159 0 C-N-CA 120.611 -0.804 . . . . 0.25 111.819 -178.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.555 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -148.57 146.62 16.33 Favored Glycine 0 N--CA 1.444 -0.833 0 C-N-CA 120.79 -0.719 . . . . 0.35 111.964 -178.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -144.71 147.85 33.49 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.983 0.421 . . . . 0.89 109.931 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.682 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 3.3 m -78.13 105.24 9.22 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.492 -0.559 . . . . 0.58 109.492 -179.279 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.19 -57.32 4.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.892 -0.594 . . . . 0.42 111.702 -171.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -97.74 63.38 1.7 Allowed 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 112.243 0.46 . . . . 2.82 112.243 -173.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.99 45.55 8.25 Favored Glycine 0 CA--C 1.51 -0.255 0 C-N-CA 120.445 -0.883 . . . . 1.69 113.448 166.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.674 ' C ' ' HB3' ' A' ' 4' ' ' CYS . . . 65.88 45.38 88.53 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.81 -0.709 . . . . 0.89 112.812 -179.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -125.51 -72.17 0.67 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.75 0.309 . . . . 1.09 111.247 177.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.682 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 2.4 p -84.12 129.87 36.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.105 -0.498 . . . . 0.79 111.455 -177.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 69.4 m -87.39 81.7 7.77 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.68 -0.691 . . . . 1.27 109.98 176.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.472 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 21.4 tptm -68.34 138.24 55.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.01 -0.541 . . . . 1.49 110.124 178.292 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.5 m -116.34 155.09 29.06 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.822 -0.627 . . . . 0.36 110.145 -176.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 15.1 p90 . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.49 -0.767 . . . . 1.15 110.779 -178.373 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.446 ' HA2' ' OD1' ' A' ' 5' ' ' ASN . . . . . . . . 0 N--CA 1.48 1.589 0 N-CA-C 112.043 -0.423 . . . . 2.12 112.043 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 55.89 54.79 7.67 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.359 0.599 . . . . 1.01 110.637 179.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 95.15 -56.42 1.78 Allowed Glycine 0 N--CA 1.444 -0.823 0 CA-C-N 115.316 -0.856 . . . . 0.89 111.553 -179.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.507 ' SG ' ' HA ' ' A' ' 10' ' ' GLU . 30.7 m -84.1 86.48 7.21 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-O 121.713 0.768 . . . . 1.67 111.173 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.511 ' H ' ' HB2' ' A' ' 9' ' ' GLN . 56.2 m-20 -102.62 36.46 2.17 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.763 -1.108 . . . . 1.68 109.263 173.463 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 121.66 153.99 9.09 Favored Glycine 0 N--CA 1.442 -0.952 0 N-CA-C 110.509 -1.037 . . . . 0.55 110.509 -171.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -44.7 -37.9 12.0 Favored 'Trans proline' 0 N--CA 1.476 0.451 0 C-N-CA 123.948 3.099 . . . . 0.72 113.928 178.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -67.62 -30.38 69.94 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.465 0.65 . . . . 2.6 110.385 -178.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.511 ' HB2' ' H ' ' A' ' 5' ' ' ASN . 33.8 mm-40 -90.24 -17.91 26.63 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.212 -0.904 . . . . 2.02 110.028 -178.063 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.507 ' HA ' ' SG ' ' A' ' 4' ' ' CYS . 17.3 tt0 -37.77 112.24 0.2 Allowed 'General case' 0 C--O 1.235 0.323 0 O-C-N 124.717 1.261 . . . . 1.86 112.792 -171.095 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -129.41 109.94 11.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.649 -0.705 . . . . 2.14 109.573 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -59.25 -51.23 70.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.892 -1.049 . . . . 2.02 112.0 -176.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.434 ' HG ' ' ND2' ' A' ' 17' ' ' ASN . 20.1 tp -74.8 -34.41 62.39 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.936 -0.574 . . . . 0.54 111.917 -171.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.1 tppt? -59.91 -43.89 94.59 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 121.126 -0.23 . . . . 1.82 110.615 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.9 t -67.29 -44.98 77.92 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.616 -0.513 . . . . 1.33 109.616 178.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.696 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 55.1 t60 -54.97 -52.23 63.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.654 -0.703 . . . . 0.37 110.126 175.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.434 ' ND2' ' HG ' ' A' ' 13' ' ' LEU . 82.4 m-20 -59.27 -38.59 80.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.48 -0.782 . . . . 0.54 111.948 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.538 ' CE1' HD11 ' A' ' 22' ' ' ILE . 12.9 t60 -60.22 -44.6 95.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.919 0.39 . . . . 0.46 110.754 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.596 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 44.1 m -73.43 -24.4 60.24 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.076 -0.511 . . . . 0.43 111.248 -177.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.696 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 2.5 mmmp? -57.62 -37.02 72.58 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.02 0.438 . . . . 0.98 111.037 -178.63 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 42.0 m -93.18 1.15 57.24 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.737 -0.665 . . . . 1.35 112.095 -174.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.742 HG22 ' HG2' ' A' ' 23' ' ' LYS . 52.3 mt -92.08 135.06 28.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.656 -0.418 . . . . 0.41 110.061 176.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.742 ' HG2' HG22 ' A' ' 22' ' ' ILE . 8.6 ptmt 11.85 -93.84 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.264 1.426 . . . . 1.92 114.473 -172.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -128.74 28.29 4.21 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.897 -0.668 . . . . 0.5 111.85 -179.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.596 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 14.3 m-30 -68.1 146.38 53.52 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.297 0.57 . . . . 0.72 110.839 178.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.5 ttpp -92.62 -49.86 5.89 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.26 -0.882 . . . . 1.74 111.03 -175.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -153.97 -177.84 27.81 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.635 -0.793 . . . . 0.25 111.479 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.566 ' HA3' ' SG ' ' A' ' 19' ' ' CYS . . . -150.16 144.83 12.4 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.304 -0.951 . . . . 0.35 112.634 -179.664 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.433 ' O ' ' HD2' ' A' ' 29' ' ' TYR . 0.1 OUTLIER -147.53 153.13 39.11 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.423 0.63 . . . . 0.89 111.072 178.621 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.656 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 32.3 m -84.15 101.93 12.2 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.636 -0.711 . . . . 0.58 109.906 -176.047 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.57 -52.99 58.65 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 115.261 -0.881 . . . . 0.42 111.995 -168.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -90.85 50.65 1.83 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.33 0.586 . . . . 2.82 110.345 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 85.34 -66.11 3.87 Favored Glycine 0 N--CA 1.441 -0.98 0 N-CA-C 110.976 -0.85 . . . . 1.69 110.976 176.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.476 ' HA2' ' HB3' ' A' ' 30' ' ' CYS . . . -167.45 32.14 0.2 Allowed Glycine 0 N--CA 1.444 -0.789 0 CA-C-N 114.914 -0.643 . . . . 0.89 112.075 -177.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -108.02 -30.12 8.62 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.73 0.3 . . . . 1.09 111.484 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.656 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 2.2 p -131.97 135.35 58.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.116 -0.493 . . . . 0.79 110.805 -175.665 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 39.9 t -97.87 94.38 6.87 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.186 -0.672 . . . . 1.27 109.186 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.4 tptt -84.49 141.0 31.07 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.49 -0.777 . . . . 1.49 110.281 -179.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 36.9 m -124.06 156.89 35.75 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.746 -0.661 . . . . 0.36 109.84 -177.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.4 p90 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.861 -0.59 . . . . 1.15 109.694 -179.37 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.889 0 N-CA-C 112.279 -0.329 . . . . 2.12 112.279 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -128.79 63.91 1.46 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.304 0.573 . . . . 1.01 110.129 178.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 86.38 -50.07 4.17 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.513 -0.767 . . . . 0.89 111.516 -177.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.896 ' SG ' ' HA2' ' A' ' 34' ' ' GLY . 5.9 t -81.04 109.89 16.04 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.713 -0.847 . . . . 1.67 108.713 175.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -119.2 21.86 12.08 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.868 -0.605 . . . . 1.68 111.006 -174.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 139.27 179.75 17.82 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.695 -0.764 . . . . 0.55 111.579 -175.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -48.41 -59.0 1.41 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 123.673 2.915 . . . . 0.72 113.116 -178.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -70.97 -26.05 62.99 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.471 0.653 . . . . 2.6 110.614 -176.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -89.18 -1.18 57.98 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.262 -0.881 . . . . 2.02 111.267 -175.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.821 ' HA ' ' SG ' ' A' ' 4' ' ' CYS . 9.9 mt-10 -53.22 126.36 20.7 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.449 0.642 . . . . 1.86 112.561 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.412 ' OD1' ' HG2' ' A' ' 14' ' ' LYS . 8.7 t70 -140.95 98.05 3.31 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.016 -0.993 . . . . 2.14 108.56 174.474 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -53.54 -43.12 68.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.884 -1.053 . . . . 2.02 112.01 -173.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.8 tp -72.68 -31.37 64.99 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.254 -0.43 . . . . 0.54 111.653 -174.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.412 ' HG2' ' OD1' ' A' ' 11' ' ' ASP . 29.9 mmmt -64.11 -45.6 87.88 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.88 -0.328 . . . . 1.82 110.458 177.284 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.413 ' SG ' ' HB2' ' A' ' 4' ' ' CYS . 74.7 m -63.39 -43.62 97.05 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.295 -0.631 . . . . 1.33 109.295 175.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.684 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 48.3 t60 -55.75 -55.06 36.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.988 -1.006 . . . . 0.37 110.45 177.008 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -57.8 -35.99 71.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.521 -0.763 . . . . 0.54 112.206 -178.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.539 ' CE1' HD11 ' A' ' 22' ' ' ILE . 14.8 t60 -62.16 -45.2 94.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.061 0.458 . . . . 0.46 110.359 178.394 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.605 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 35.4 m -71.27 -27.08 63.19 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.93 -0.577 . . . . 0.43 110.71 -177.579 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.684 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 2.4 mmmp? -58.91 -35.65 73.42 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.979 0.418 . . . . 0.98 111.082 -178.453 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.0 m -85.26 -4.02 59.02 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.046 -0.525 . . . . 1.35 111.507 -175.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.735 HG22 ' HG2' ' A' ' 23' ' ' LYS . 36.4 mt -99.95 136.67 30.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.575 0.226 . . . . 0.41 110.894 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.735 ' HG2' HG22 ' A' ' 22' ' ' ILE . 13.0 ptpt 13.05 -100.34 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.059 0 O-C-N 125.086 1.491 . . . . 1.92 114.597 -176.138 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.54 26.13 5.79 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 121.11 -0.566 . . . . 0.5 112.608 -176.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.605 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 13.6 m-30 -65.0 143.24 58.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.112 0.482 . . . . 0.72 110.459 178.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -90.56 -44.38 9.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.715 -0.675 . . . . 1.74 110.303 -178.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -160.58 -174.0 29.85 Favored Glycine 0 N--CA 1.437 -1.28 0 C-N-CA 120.355 -0.926 . . . . 0.25 112.177 -178.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.573 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -154.86 160.24 29.55 Favored Glycine 0 N--CA 1.443 -0.892 0 N-CA-C 111.55 -0.62 . . . . 0.35 111.55 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.9 p90 -160.67 158.37 28.69 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 110.238 -0.282 . . . . 0.89 110.238 -177.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.566 ' SG ' ' HG2' ' A' ' 10' ' ' GLU . 5.6 m -71.81 115.9 11.56 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.032 -0.729 . . . . 0.58 109.032 177.075 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.1 -39.0 14.94 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.036 0.445 . . . . 0.42 111.905 -172.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.431 ' HA ' ' HE3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -129.64 71.54 1.44 Allowed 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 120.843 -0.343 . . . . 2.82 111.87 -176.692 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 69.32 39.36 81.54 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.715 -0.755 . . . . 1.69 112.408 171.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.896 ' HA2' ' SG ' ' A' ' 4' ' ' CYS . . . 75.02 -4.49 38.64 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.851 -0.69 . . . . 0.89 113.9 178.096 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -80.4 -12.69 59.54 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.937 0.369 . . . . 1.09 111.654 -176.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.437 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 1.5 p -152.12 132.16 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.95 0.405 . . . . 0.79 111.659 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 99.9 m -96.78 92.38 6.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.619 -0.719 . . . . 1.27 109.781 174.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.556 ' HG2' ' N ' ' A' ' 39' ' ' CYS . 40.1 tttp -73.29 159.78 32.86 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.725 -0.472 . . . . 1.49 109.725 177.131 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.556 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 56.2 m -127.82 158.62 37.24 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.791 -0.448 . . . . 0.36 109.791 -178.396 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 18.8 p90 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.733 -0.651 . . . . 1.15 109.655 179.764 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.729 0 N-CA-C 111.967 -0.453 . . . . 2.12 111.967 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.471 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 93.4 m-85 -124.48 64.61 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.156 0.503 . . . . 1.01 110.708 178.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.512 ' HA3' ' HG2' ' A' ' 14' ' ' LYS . . . 108.6 -56.56 0.46 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.72 -0.752 . . . . 0.89 113.672 175.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.801 ' SG ' ' HA2' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -58.45 -61.86 2.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 119.684 -0.198 . . . . 1.67 111.145 -177.261 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 17.2 m120 57.09 31.89 20.75 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 120.959 0.409 . . . . 1.68 111.887 175.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 97.5 168.91 32.77 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.542 -0.837 . . . . 0.55 112.666 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -52.31 -36.7 69.24 Favored 'Trans proline' 0 N--CA 1.475 0.392 0 C-N-CA 124.38 3.387 . . . . 0.72 114.171 -177.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 3.4 m95 -54.54 -41.97 70.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.682 -0.69 . . . . 2.6 111.293 -173.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.3 -61.47 1.48 Allowed 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.956 -0.757 . . . . 2.02 108.956 -179.129 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.673 ' HA ' ' SG ' ' A' ' 4' ' ' CYS . 13.4 tt0 50.9 57.0 7.13 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.916 -1.038 . . . . 1.86 112.129 172.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.551 ' H ' ' HA ' ' A' ' 4' ' ' CYS . 6.2 t70 -82.63 89.61 6.73 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.049 -0.722 . . . . 2.14 109.049 173.094 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.611 ' HA ' ' SG ' ' A' ' 30' ' ' CYS . 16.3 t70 -67.24 -36.73 82.25 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.825 -0.625 . . . . 2.02 111.053 -174.427 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 25.2 tp -65.57 -34.22 77.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.872 -0.604 . . . . 0.54 111.106 -178.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.512 ' HG2' ' HA3' ' A' ' 3' ' ' GLY . 4.6 tppt? -60.29 -43.21 96.46 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 110.011 -0.366 . . . . 1.82 110.011 176.503 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 71.1 m -58.67 -46.54 86.99 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 121.228 0.537 . . . . 1.33 109.795 175.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.692 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 70.8 t60 -57.58 -55.58 32.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.25 -0.886 . . . . 0.37 110.355 176.448 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -57.63 -36.06 71.32 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.64 -0.709 . . . . 0.54 112.069 -178.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.483 ' CE1' HD11 ' A' ' 22' ' ' ILE . 19.9 t60 -60.64 -48.15 83.08 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.694 0.283 . . . . 0.46 110.983 178.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.482 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 34.2 m -70.32 -23.45 62.84 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.379 -0.373 . . . . 0.43 111.072 -176.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.692 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 1.9 mmmp? -60.49 -33.46 72.64 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.98 0.419 . . . . 0.98 111.302 -178.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.4 m -95.05 4.53 53.64 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.005 -0.543 . . . . 1.35 111.673 -175.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.606 HG22 ' HG2' ' A' ' 23' ' ' LYS . 43.5 mt -95.96 135.52 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 110.223 -0.288 . . . . 0.41 110.223 176.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.606 ' HG2' HG22 ' A' ' 22' ' ' ILE . 1.1 ptpp? 12.75 -92.45 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.007 0 O-C-N 125.072 1.483 . . . . 1.92 114.623 -174.179 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.47 26.69 3.47 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.626 -0.797 . . . . 0.5 112.702 -177.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.482 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 13.3 m-30 -63.95 153.98 35.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.349 0.595 . . . . 0.72 110.982 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.452 ' HB3' ' O ' ' A' ' 40' ' ' TYR . 77.0 tttt -89.74 -46.34 8.67 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.38 -0.827 . . . . 1.74 110.374 -178.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -168.12 -167.63 29.06 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.773 -0.727 . . . . 0.25 112.137 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.408 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -152.93 166.33 31.4 Favored Glycine 0 N--CA 1.446 -0.687 0 N-CA-C 111.38 -0.688 . . . . 0.35 111.38 178.48 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.409 ' CE2' ' HD3' ' A' ' 38' ' ' LYS . 12.8 p90 -163.11 157.61 20.88 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.842 0.353 . . . . 0.89 110.4 -179.728 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.611 ' SG ' ' HA ' ' A' ' 12' ' ' ASP . 35.5 m -77.47 106.73 9.43 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.337 -0.616 . . . . 0.58 109.337 176.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.27 -45.95 18.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.291 -0.413 . . . . 0.42 111.929 -171.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -105.76 50.15 0.79 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.505 -0.316 . . . . 2.82 111.117 -176.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.41 38.42 93.54 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.694 -0.765 . . . . 1.69 112.815 174.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.801 ' HA2' ' SG ' ' A' ' 4' ' ' CYS . . . 99.51 -14.65 60.61 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.562 -0.827 . . . . 0.89 113.412 176.389 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -76.36 -9.66 58.81 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 112.296 0.48 . . . . 1.09 112.296 -176.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.538 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 3.5 p -159.62 135.53 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.187 0.518 . . . . 0.79 111.745 -177.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.471 ' SG ' ' HB2' ' A' ' 2' ' ' PHE . 66.0 m -99.56 90.77 4.61 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.129 -0.942 . . . . 1.27 109.251 175.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.559 ' HG2' ' N ' ' A' ' 39' ' ' CYS . 38.9 tttp -78.44 158.59 28.63 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.455 -0.572 . . . . 1.49 109.455 178.331 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.559 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 35.2 m -125.63 153.04 44.37 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.497 -0.557 . . . . 0.36 109.497 -178.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.452 ' O ' ' HB3' ' A' ' 26' ' ' LYS . 21.4 p90 . . . . . 0 C--O 1.246 0.899 0 CA-C-O 118.071 -0.966 . . . . 1.15 109.387 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.411 ' HA2' ' HA ' ' A' ' 5' ' ' ASN . . . . . . . . 0 N--CA 1.484 1.839 0 N-CA-C 112.083 -0.407 . . . . 2.12 112.083 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 51.71 61.88 2.99 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 123.046 0.538 . . . . 1.01 111.936 178.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.447 ' HA3' ' HB3' ' A' ' 14' ' ' LYS . . . 88.09 -38.36 3.19 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.73 -0.748 . . . . 0.89 112.986 175.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.873 ' SG ' ' HA2' ' A' ' 34' ' ' GLY . 35.9 t -81.14 -42.27 21.16 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.014 -0.365 . . . . 1.67 110.014 178.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.411 ' HA ' ' HA2' ' A' ' 1' ' ' GLY . 88.7 m-20 65.0 -39.31 0.26 Allowed 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 115.517 1.673 . . . . 1.68 115.517 170.214 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.439 ' C ' ' HA3' ' A' ' 34' ' ' GLY . . . 173.3 -177.06 45.88 Favored Glycine 0 N--CA 1.443 -0.837 0 N-CA-C 111.558 -0.617 . . . . 0.55 111.558 -173.347 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -61.63 -43.15 28.25 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 122.738 2.292 . . . . 0.72 112.421 -175.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -73.79 -28.09 61.47 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.32 -0.855 . . . . 2.6 110.706 -175.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.517 ' HB2' ' O ' ' A' ' 4' ' ' CYS . 10.3 mm100 -98.58 -4.09 34.86 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.261 -0.881 . . . . 2.02 110.921 -171.451 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.779 ' HG2' ' SG ' ' A' ' 4' ' ' CYS . 0.8 OUTLIER -46.87 97.52 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 O-C-N 124.289 0.993 . . . . 1.86 113.45 -174.103 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -114.25 111.16 21.08 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.837 -0.801 . . . . 2.14 108.837 170.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -61.83 -39.46 91.87 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.295 -0.866 . . . . 2.02 111.784 -173.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.436 ' HG ' ' ND2' ' A' ' 17' ' ' ASN . 23.8 tp -71.39 -39.61 71.06 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 120.748 -0.381 . . . . 0.54 111.192 -176.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.447 ' HB3' ' HA3' ' A' ' 3' ' ' GLY . 7.0 mmmm -58.58 -43.92 89.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.697 0.284 . . . . 1.82 110.86 176.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.4 t -64.83 -42.9 94.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.291 0.567 . . . . 1.33 109.631 177.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.688 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 63.0 t60 -58.55 -52.29 66.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.48 -0.782 . . . . 0.37 110.165 176.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.436 ' ND2' ' HG ' ' A' ' 13' ' ' LEU . 86.1 m-20 -61.17 -33.89 74.15 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.286 -0.87 . . . . 0.54 112.541 -178.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.483 ' CE1' HD11 ' A' ' 22' ' ' ILE . 9.8 t60 -58.24 -46.74 85.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.05 0.452 . . . . 0.46 110.178 177.168 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.517 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 34.0 m -72.54 -20.27 61.37 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.999 -0.546 . . . . 0.43 110.766 -178.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.688 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 28.9 mmmt -69.24 -20.53 63.95 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.11 0.481 . . . . 0.98 110.335 178.178 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.2 m -91.28 -5.63 54.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.846 -0.615 . . . . 1.35 110.897 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.722 HG22 ' HG2' ' A' ' 23' ' ' LYS . 30.2 mt -102.11 137.17 30.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.62 -0.264 . . . . 0.41 110.865 -177.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.722 ' HG2' HG22 ' A' ' 22' ' ' ILE . 8.2 ptpt 10.17 -92.77 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.039 0 O-C-N 125.175 1.547 . . . . 1.92 114.805 -175.163 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.11 24.32 3.8 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.671 -0.776 . . . . 0.5 112.502 -177.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.517 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 14.2 m-30 -62.4 146.14 52.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.207 0.527 . . . . 0.72 110.888 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -82.49 -44.7 15.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.435 -0.802 . . . . 1.74 110.614 -177.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -170.15 -167.11 30.14 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.649 -0.786 . . . . 0.25 112.226 -178.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.614 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -153.75 156.72 26.97 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 121.125 -0.559 . . . . 0.35 112.29 -178.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.535 ' CE2' ' HD2' ' A' ' 38' ' ' LYS . 2.7 p90 -157.45 151.85 25.0 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.69 -0.485 . . . . 0.89 109.69 179.1 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.497 ' SG ' ' HG2' ' A' ' 10' ' ' GLU . 3.5 m -77.55 120.96 23.24 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.055 -0.52 . . . . 0.58 109.667 -177.203 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.44 -47.9 10.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.417 -0.356 . . . . 0.42 111.921 -171.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -131.54 77.13 1.75 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.948 0.404 . . . . 2.82 111.157 -175.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 73.77 44.08 32.97 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.82 -0.705 . . . . 1.69 112.871 170.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.873 ' HA2' ' SG ' ' A' ' 4' ' ' CYS . . . 77.7 -36.66 1.63 Allowed Glycine 0 CA--C 1.517 0.173 0 N-CA-C 114.478 0.551 . . . . 0.89 114.478 173.455 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -51.73 -48.47 63.61 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.327 0.491 . . . . 1.09 112.327 -175.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.5 p -104.5 123.67 58.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.519 0.676 . . . . 0.79 111.517 -177.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.3 t -97.96 90.34 4.88 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.642 -1.163 . . . . 1.27 109.124 179.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.535 ' HD2' ' CE2' ' A' ' 29' ' ' TYR . 8.9 tmtm? -81.85 144.74 30.81 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.703 -0.68 . . . . 1.49 109.998 -176.723 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.3 m -115.02 151.92 33.36 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.937 0.398 . . . . 0.36 110.603 -176.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 23.7 p90 . . . . . 0 C--O 1.246 0.91 0 N-CA-C 109.375 -0.602 . . . . 1.15 109.375 -179.571 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.722 0 N-CA-C 112.132 -0.387 . . . . 2.12 112.132 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -131.84 61.13 1.66 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.25 0.548 . . . . 1.01 110.112 -178.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 88.33 -57.52 4.22 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.631 -0.713 . . . . 0.89 111.807 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.702 ' SG ' ' HG3' ' A' ' 10' ' ' GLU . 10.8 m -87.72 93.18 9.37 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 122.184 0.992 . . . . 1.67 111.297 -178.137 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -115.92 46.42 1.54 Allowed 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 113.606 -1.634 . . . . 1.68 109.022 176.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 100.12 160.43 28.39 Favored Glycine 0 N--CA 1.441 -0.983 0 N-CA-C 110.82 -0.912 . . . . 0.55 110.82 -171.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -45.45 -37.98 15.31 Favored 'Trans proline' 0 CA--C 1.53 0.321 0 C-N-CA 124.078 3.185 . . . . 0.72 113.773 -178.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -64.33 -32.64 74.32 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.952 -0.567 . . . . 2.6 111.614 -174.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.59 -16.57 14.32 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.408 -0.36 . . . . 2.02 110.502 -176.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.702 ' HG3' ' SG ' ' A' ' 4' ' ' CYS . 50.4 tt0 -36.54 117.44 0.49 Allowed 'General case' 0 C--O 1.236 0.363 0 O-C-N 124.444 1.09 . . . . 1.86 113.669 -175.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -135.63 106.16 6.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.975 -1.012 . . . . 2.14 108.744 174.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -60.25 -41.78 93.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.421 -0.809 . . . . 2.02 111.485 -173.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 22.9 tp -72.59 -34.63 67.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.263 -0.426 . . . . 0.54 111.564 -175.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.7 tppt? -58.1 -44.01 87.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.82 0.343 . . . . 1.82 110.163 177.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.1 t -66.39 -44.02 84.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.941 -0.572 . . . . 1.33 109.763 177.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.516 ' NE2' ' HD2' ' A' ' 20' ' ' LYS . 75.1 t60 -56.07 -46.26 79.04 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.558 -0.746 . . . . 0.37 109.919 176.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -66.42 -35.17 79.64 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.558 -0.746 . . . . 0.54 111.783 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.524 ' CE1' HD11 ' A' ' 22' ' ' ILE . 7.4 t60 -62.87 -50.91 69.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.775 0.321 . . . . 0.46 111.117 179.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.556 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 60.9 m -66.89 -31.42 72.0 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.282 -0.417 . . . . 0.43 111.616 -174.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.516 ' HD2' ' NE2' ' A' ' 16' ' ' HIS . 29.4 mtpp -74.38 -12.18 60.45 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.991 0.424 . . . . 0.98 111.522 -177.351 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.3 t -87.98 -4.78 58.77 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.314 0.578 . . . . 1.35 109.442 174.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.652 HG22 ' HG2' ' A' ' 23' ' ' LYS . 36.3 mt -102.16 154.33 5.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-N 115.614 -0.721 . . . . 0.41 109.554 178.184 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.652 ' HG2' HG22 ' A' ' 22' ' ' ILE . 2.2 ptmm? -24.36 -98.44 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 116.084 1.883 . . . . 1.92 116.084 -172.377 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -102.74 10.89 56.13 Favored Glycine 0 CA--C 1.509 -0.337 0 C-N-CA 120.511 -0.852 . . . . 0.5 112.76 -171.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.556 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 4.5 m-30 -64.43 128.85 37.56 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.727 -0.471 . . . . 0.72 109.727 179.203 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -80.6 -42.04 22.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.358 0.599 . . . . 1.74 110.346 -177.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -163.13 -172.04 30.13 Favored Glycine 0 N--CA 1.439 -1.152 0 CA-C-N 115.369 -0.832 . . . . 0.25 111.5 -179.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.513 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -146.17 153.95 25.64 Favored Glycine 0 N--CA 1.444 -0.81 0 N-CA-C 111.212 -0.755 . . . . 0.35 111.212 178.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.589 ' CE2' ' HD2' ' A' ' 38' ' ' LYS . 12.7 p90 -152.82 154.67 35.62 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.231 0.539 . . . . 0.89 110.267 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.644 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 9.7 m -90.89 90.52 7.94 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 121.657 0.742 . . . . 0.58 109.631 -177.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.478 ' HB3' ' CG2' ' A' ' 36' ' ' VAL . . . -59.44 -57.01 14.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.205 -1.361 . . . . 0.42 112.719 -167.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -88.87 40.39 0.97 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.574 -0.284 . . . . 2.82 111.444 -173.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 70.45 47.59 41.85 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.47 -0.871 . . . . 1.69 112.331 175.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.93 -13.31 67.96 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.617 -0.802 . . . . 0.89 113.376 176.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -79.29 -22.43 44.63 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 117.155 0.477 . . . . 1.09 112.2 -176.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.644 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 1.7 m -132.5 152.06 35.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.267 -0.573 . . . . 0.79 110.767 178.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 48.5 t -111.51 93.15 4.32 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.669 -0.696 . . . . 1.27 109.19 171.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.589 ' HD2' ' CE2' ' A' ' 29' ' ' TYR . 8.5 tmtm? -97.86 148.36 23.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.328 -0.396 . . . . 1.49 110.261 -177.201 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 22.2 m -117.42 153.76 32.53 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.349 -0.387 . . . . 0.36 110.53 -177.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 10.3 p90 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.369 -0.824 . . . . 1.15 109.928 -179.723 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.531 ' HA3' ' OD1' ' A' ' 5' ' ' ASN . . . . . . . . 0 N--CA 1.48 1.597 0 N-CA-C 112.054 -0.419 . . . . 2.12 112.054 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -124.07 8.57 8.62 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.075 0.464 . . . . 1.01 110.311 -179.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 143.4 -58.39 0.54 Allowed Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.288 -0.725 . . . . 0.89 111.288 -172.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.592 ' HA ' ' HA ' ' A' ' 10' ' ' GLU . 33.8 m -81.24 71.91 8.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.651 0.739 . . . . 1.67 109.274 174.615 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.531 ' OD1' ' HA3' ' A' ' 1' ' ' GLY . 15.7 m-20 -91.61 39.6 1.01 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.648 -0.705 . . . . 1.68 109.959 -176.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 102.31 161.7 26.3 Favored Glycine 0 N--CA 1.443 -0.892 0 N-CA-C 110.683 -0.967 . . . . 0.55 110.683 -172.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -46.41 -42.99 22.51 Favored 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 123.718 2.946 . . . . 0.72 113.715 -175.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -67.74 -30.38 69.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.177 -0.465 . . . . 2.6 111.743 -174.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.419 HE21 ' HB3' ' A' ' 9' ' ' GLN . 0.1 OUTLIER -105.26 -12.23 16.17 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.307 -0.406 . . . . 2.02 110.573 -173.853 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.592 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 0.6 OUTLIER -45.72 108.06 0.12 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.872 -1.058 . . . . 1.86 112.522 -174.588 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -114.39 137.68 51.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.58 -0.737 . . . . 2.14 109.98 176.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -77.51 -31.74 53.7 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.163 -0.926 . . . . 2.02 112.294 -169.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.5 tp -100.28 -29.74 12.27 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 112.002 0.371 . . . . 0.54 112.002 -173.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -54.23 -48.66 70.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.754 0.311 . . . . 1.82 111.803 -177.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.415 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 39.9 m -78.52 -24.59 45.68 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.38 -0.528 . . . . 1.33 111.254 -176.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.706 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 61.6 t60 -64.33 -50.74 66.57 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.56 -0.904 . . . . 0.37 108.56 169.346 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 55.9 m-20 -57.18 -38.84 74.2 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.122 -0.945 . . . . 0.54 112.006 178.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.51 ' CE1' HD11 ' A' ' 22' ' ' ILE . 16.5 t60 -59.48 -47.6 84.88 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.305 -0.407 . . . . 0.46 110.936 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.573 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 31.3 m -71.71 -20.07 61.97 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.454 -0.339 . . . . 0.43 110.994 -176.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.706 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 1.9 mmmp? -65.18 -26.81 68.32 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.885 0.374 . . . . 0.98 110.695 -179.39 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.4 m -97.71 6.92 47.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.959 -0.564 . . . . 1.35 111.291 -177.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.676 HG22 ' HG2' ' A' ' 23' ' ' LYS . 32.7 mt -106.22 136.88 39.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 110.08 -0.341 . . . . 0.41 110.08 175.56 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.676 ' HG2' HG22 ' A' ' 22' ' ' ILE . 8.6 ptpt 9.53 -97.93 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.045 0 O-C-N 125.111 1.507 . . . . 1.92 114.556 -174.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -126.65 29.21 4.52 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.687 -0.768 . . . . 0.5 112.428 -178.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.573 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 13.8 m-30 -70.1 132.73 46.28 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.906 0.384 . . . . 0.72 109.998 177.032 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -83.24 -37.2 23.87 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.809 -0.632 . . . . 1.74 111.112 -175.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -163.22 -178.69 37.18 Favored Glycine 0 N--CA 1.441 -0.975 0 C-N-CA 120.404 -0.903 . . . . 0.25 112.037 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.536 ' HA3' ' SG ' ' A' ' 19' ' ' CYS . . . -151.87 151.36 23.27 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 121.054 -0.593 . . . . 0.35 111.806 -179.456 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -159.53 158.69 32.27 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.797 0.332 . . . . 0.89 110.348 -176.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.71 119.62 20.75 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.943 -0.762 . . . . 0.58 108.943 177.225 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.79 -43.03 11.55 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 111.786 0.291 . . . . 0.42 111.786 -174.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -117.01 80.62 1.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.693 -0.403 . . . . 2.82 111.849 -175.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.16 33.65 48.91 Favored Glycine 0 N--CA 1.453 -0.188 0 C-N-CA 121.168 -0.539 . . . . 1.69 113.641 167.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.0 24.07 67.51 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.355 -0.926 . . . . 0.89 112.853 179.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -111.67 -83.5 0.58 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.897 0.379 . . . . 1.09 111.795 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.418 HG12 ' H ' ' A' ' 36' ' ' VAL . 1.6 p -70.56 115.55 10.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.617 0.722 . . . . 0.79 111.921 -174.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.511 ' SG ' ' HB2' ' A' ' 4' ' ' CYS . 76.6 m -83.57 89.77 7.15 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.576 -1.193 . . . . 1.27 110.618 176.039 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.536 ' HG2' ' N ' ' A' ' 39' ' ' CYS . 35.7 tttp -73.18 158.86 34.44 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.025 -0.989 . . . . 1.49 109.73 176.149 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.536 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 32.1 m -129.32 158.5 38.94 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.473 -0.936 . . . . 0.36 108.473 178.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 9.9 p90 . . . . . 0 C--O 1.244 0.77 0 CA-C-O 118.972 -0.537 . . . . 1.15 110.617 179.738 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.593 0 N-CA-C 112.074 -0.41 . . . . 2.12 112.074 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -121.87 15.73 10.91 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.16 0.505 . . . . 1.01 110.354 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.468 ' C ' ' HB2' ' A' ' 11' ' ' ASP . . . 151.82 -71.69 0.29 Allowed Glycine 0 N--CA 1.444 -0.776 0 CA-C-N 115.456 -0.793 . . . . 0.89 111.438 -177.23 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.4 m -67.89 106.4 2.29 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-O 120.946 0.403 . . . . 1.67 110.106 178.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.453 ' HB2' ' HG3' ' A' ' 9' ' ' GLN . 15.6 m120 -107.98 42.59 1.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.969 -0.56 . . . . 1.68 110.376 178.642 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 121.16 169.81 13.85 Favored Glycine 0 N--CA 1.443 -0.872 0 C-N-CA 120.826 -0.702 . . . . 0.55 111.899 -177.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -49.78 -62.35 0.43 Allowed 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 123.812 3.008 . . . . 0.72 113.257 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.463 ' CD1' ' HG2' ' A' ' 9' ' ' GLN . 0.2 OUTLIER -54.11 -26.8 29.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.369 -0.832 . . . . 2.6 112.255 -178.744 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.463 ' HG2' ' CD1' ' A' ' 8' ' ' TRP . 14.7 mm-40 -82.36 -73.86 0.37 Allowed 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.047 -0.524 . . . . 2.02 109.627 178.321 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 39.28 59.13 1.79 Allowed 'General case' 0 C--O 1.235 0.305 0 O-C-N 123.868 0.73 . . . . 1.86 112.315 -177.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.468 ' HB2' ' C ' ' A' ' 3' ' ' GLY . 1.4 m-20 -75.04 69.78 1.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.507 -0.77 . . . . 2.14 109.646 174.34 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -53.66 -50.38 65.9 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.541 -1.209 . . . . 2.02 111.412 -176.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.401 ' O ' ' HB3' ' A' ' 16' ' ' HIS . 24.5 tp -66.73 -33.68 76.16 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.321 -0.854 . . . . 0.54 111.918 -175.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -37.56 77.75 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.681 -0.488 . . . . 1.82 109.681 179.551 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.42 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 67.6 m -71.04 -37.23 72.56 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 109.932 -0.396 . . . . 1.33 109.932 174.415 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.71 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 31.6 t60 -54.68 -57.96 9.42 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.615 -0.513 . . . . 0.37 109.615 171.059 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -59.3 -30.57 68.43 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.2 -0.909 . . . . 0.54 111.924 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.436 ' CE1' HD11 ' A' ' 22' ' ' ILE . 16.8 t60 -64.4 -49.7 70.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.713 0.292 . . . . 0.46 110.333 174.213 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.628 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 37.8 m -65.4 -30.7 71.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.366 -0.379 . . . . 0.43 110.633 -179.073 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.71 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 27.7 mmmt -55.63 -39.73 71.23 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.207 0.527 . . . . 0.98 110.7 178.044 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.5 m -82.28 -2.66 53.35 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.587 -0.733 . . . . 1.35 111.567 -176.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.551 HG22 ' HG2' ' A' ' 23' ' ' LYS . 39.0 mt -96.23 136.3 27.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.761 -0.459 . . . . 0.41 109.761 176.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.551 ' HG2' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER 10.88 -93.76 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.019 0 O-C-N 125.123 1.515 . . . . 1.92 114.319 -174.056 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -133.03 31.2 2.95 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.734 -0.746 . . . . 0.5 112.228 -178.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.628 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 13.3 m-30 -67.08 141.32 57.52 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.99 0.424 . . . . 0.72 110.528 178.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -87.17 -41.79 13.49 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.654 -0.703 . . . . 1.74 111.44 -174.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -160.62 -178.98 35.08 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.353 -0.927 . . . . 0.25 112.22 -178.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.476 ' N ' ' HA ' ' A' ' 16' ' ' HIS . . . -156.83 151.65 23.03 Favored Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 111.732 -0.547 . . . . 0.35 111.732 -178.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.0 p90 -162.65 157.86 22.44 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.839 0.32 . . . . 0.89 110.675 -175.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.517 ' CB ' ' HA2' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -74.58 119.73 19.18 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.974 -0.75 . . . . 0.58 108.974 176.442 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.502 ' HB3' HG13 ' A' ' 36' ' ' VAL . . . -87.34 -49.74 7.04 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.131 0.419 . . . . 0.42 112.131 -172.551 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -117.73 79.45 1.36 Allowed 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.104 0.409 . . . . 2.82 112.104 -174.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.26 27.55 51.87 Favored Glycine 0 C--O 1.227 -0.301 0 C-N-CA 121.086 -0.578 . . . . 1.69 113.174 169.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.517 ' HA2' ' CB ' ' A' ' 30' ' ' CYS . . . 78.87 14.54 81.91 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.465 -0.874 . . . . 0.89 112.959 179.419 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -94.61 -74.06 0.56 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.241 0.543 . . . . 1.09 111.482 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.502 HG13 ' HB3' ' A' ' 31' ' ' ALA . 2.1 p -81.32 134.37 27.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.753 -0.658 . . . . 0.79 111.071 -178.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.42 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 66.5 m -106.55 101.35 10.81 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.553 0.692 . . . . 1.27 109.854 176.58 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.494 ' HG2' ' N ' ' A' ' 39' ' ' CYS . 38.9 tttp -82.62 160.5 22.46 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.775 -1.102 . . . . 1.49 109.931 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.494 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 29.9 m -131.91 152.64 50.93 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.969 -0.752 . . . . 0.36 108.969 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 31.8 p90 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 119.117 -0.468 . . . . 1.15 110.397 -179.948 . . . . . . . . 0 0 . 1 stop_ save_