data_1jbn_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1jbn _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 3' ' ' CYS . . . . . 0.568 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 59.1 m . . . . . 0 N--CA 1.464 0.273 0 CA-C-O 120.676 0.274 . . . . 0.0 111.27 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.517 ' CG2' ' HB ' ' A' ' 10' ' ' ILE . 67.7 p -67.83 161.26 26.64 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.132 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.04 27.66 0.39 Allowed 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 116.119 -0.492 . . . . 0.0 112.044 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.1 p -109.69 -177.35 3.25 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.756 0.312 . . . . 0.0 110.998 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.7 mp -141.38 115.9 7.03 Favored Pre-proline 0 CA--C 1.531 0.215 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.551 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_exo -70.91 138.93 54.95 Favored 'Cis proline' 0 C--N 1.349 0.587 0 C-N-CA 123.517 -1.451 . . . . 0.0 112.271 -0.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.568 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 26.7 Cg_endo -62.68 133.93 44.74 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.799 2.333 . . . . 0.0 112.336 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.517 ' HB ' ' CG2' ' A' ' 4' ' ' THR . 28.1 mm -78.8 98.13 2.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 179.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.9 m . . . . . 0 C--N 1.331 -0.216 0 CA-C-O 121.222 0.534 . . . . 0.0 112.113 -178.757 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.581 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 57.6 m . . . . . 0 N--CA 1.467 0.377 0 CA-C-O 120.693 0.282 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.476 ' CG2' ' HB ' ' A' ' 10' ' ' ILE . 47.8 p -66.64 160.91 24.45 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.78 26.2 0.51 Allowed 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.7 p -105.65 -176.96 3.23 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.77 0.319 . . . . 0.0 110.939 179.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.7 mp -141.57 115.25 6.81 Favored Pre-proline 0 CA--C 1.53 0.195 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.698 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_exo -70.66 139.96 60.42 Favored 'Cis proline' 0 C--N 1.349 0.604 0 C-N-CA 123.647 -1.397 . . . . 0.0 112.209 -0.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.581 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 25.0 Cg_endo -62.88 132.17 36.03 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.767 2.311 . . . . 0.0 112.495 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.476 ' HB ' ' CG2' ' A' ' 4' ' ' THR . 17.1 mm -79.52 102.99 5.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.475 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 74.1 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.104 0.478 . . . . 0.0 112.146 -178.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.537 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 59.5 m . . . . . 0 N--CA 1.464 0.255 0 CA-C-O 120.672 0.273 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.55 ' CG2' ' HB ' ' A' ' 10' ' ' ILE . 70.4 p -67.47 -165.34 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.226 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.467 ' H ' ' HD3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -117.14 45.43 1.88 Allowed 'General case' 0 C--O 1.233 0.237 0 CA-C-O 121.246 0.546 . . . . 0.0 110.419 179.184 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.5 p -133.41 176.31 8.64 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.184 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.3 mm -129.28 114.46 18.44 Favored Pre-proline 0 CA--C 1.53 0.197 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.037 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -76.49 142.54 73.43 Favored 'Cis proline' 0 C--N 1.349 0.56 0 C-N-CA 123.569 -1.43 . . . . 0.0 111.972 -0.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.537 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 27.1 Cg_endo -63.82 135.17 47.0 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.639 2.226 . . . . 0.0 112.483 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.55 ' HB ' ' CG2' ' A' ' 4' ' ' THR . 32.2 mm -79.19 100.96 4.16 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 85.9 m . . . . . 0 C--O 1.233 0.214 0 CA-C-O 121.097 0.475 . . . . 0.0 111.716 -178.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.506 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 61.6 m . . . . . 0 N--CA 1.466 0.336 0 CA-C-O 120.672 0.272 . . . . 0.0 110.667 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.615 ' CG2' ' HB ' ' A' ' 10' ' ' ILE . 55.9 p -67.19 -160.61 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.704 -179.431 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.645 ' N ' ' HD2' ' A' ' 5' ' ' LYS . 5.5 mptt -116.94 44.77 1.99 Allowed 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 121.003 0.43 . . . . 0.0 110.607 -179.348 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.0 p -133.17 -177.89 4.72 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.0 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.6 mp -140.43 115.44 7.59 Favored Pre-proline 0 CA--C 1.531 0.227 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.678 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo -71.06 137.96 49.81 Favored 'Cis proline' 0 C--N 1.349 0.593 0 C-N-CA 123.447 -1.48 . . . . 0.0 112.198 -0.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.506 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 26.3 Cg_endo -62.39 136.99 62.53 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.833 2.356 . . . . 0.0 112.261 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.615 ' HB ' ' CG2' ' A' ' 4' ' ' THR . 33.8 mm -78.34 96.84 2.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.108 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 82.6 m . . . . . 0 N--CA 1.455 -0.201 0 CA-C-O 121.029 0.443 . . . . 0.0 111.905 -178.816 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.526 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 64.5 m . . . . . 0 N--CA 1.468 0.465 0 CA-C-O 120.513 0.196 . . . . 0.0 110.499 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.578 ' CG2' ' HB ' ' A' ' 10' ' ' ILE . 69.3 p -67.89 -169.21 0.12 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.849 0.357 . . . . 0.0 111.502 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.621 ' N ' ' HD2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -109.55 45.7 1.06 Allowed 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.713 -179.767 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.3 p -134.47 -178.73 5.19 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.037 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.6 mp -140.46 116.06 7.68 Favored Pre-proline 0 CA--C 1.531 0.224 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.641 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -70.76 136.78 42.65 Favored 'Cis proline' 0 C--N 1.349 0.568 0 C-N-CA 123.477 -1.468 . . . . 0.0 112.196 -0.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.526 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 26.5 Cg_endo -63.11 136.29 55.45 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.751 2.301 . . . . 0.0 112.208 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.578 ' HB ' ' CG2' ' A' ' 4' ' ' THR . 25.8 mm -78.42 96.56 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.479 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 73.5 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.305 -178.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.511 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 61.8 m . . . . . 0 N--CA 1.466 0.346 0 CA-C-O 120.563 0.221 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.5 ' CG2' ' HB ' ' A' ' 10' ' ' ILE . 55.5 p -67.82 162.84 23.12 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.112 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.94 11.82 3.1 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 179.183 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.4 p -91.5 -178.45 5.1 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.91 0.386 . . . . 0.0 111.109 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.6 mp -143.29 116.7 6.05 Favored Pre-proline 0 CA--C 1.531 0.228 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.429 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -68.66 138.04 44.05 Favored 'Cis proline' 0 C--N 1.349 0.58 0 C-N-CA 123.528 -1.447 . . . . 0.0 112.208 -0.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.511 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 20.9 Cg_endo -61.46 132.6 41.57 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.813 2.342 . . . . 0.0 112.521 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.5 ' HB ' ' CG2' ' A' ' 4' ' ' THR . 18.7 mm -79.24 100.1 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 178.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.479 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 72.3 m . . . . . 0 C--N 1.329 -0.306 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -178.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.622 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 54.3 m . . . . . 0 C--O 1.233 0.206 0 CA-C-O 120.617 0.246 . . . . 0.0 110.718 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.534 ' CG2' ' HB ' ' A' ' 10' ' ' ILE . 49.0 p -65.44 179.05 0.83 Allowed 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.991 0.424 . . . . 0.0 111.545 -179.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp -99.83 40.23 1.25 Allowed 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.485 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.6 p -123.85 -176.2 3.41 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.804 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.3 mp -139.72 114.16 7.9 Favored Pre-proline 0 CA--C 1.53 0.208 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.698 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -73.65 141.14 70.87 Favored 'Cis proline' 0 C--N 1.348 0.52 0 C-N-CA 123.683 -1.382 . . . . 0.0 112.299 -0.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.622 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 25.9 Cg_endo -62.77 134.26 46.1 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.846 2.364 . . . . 0.0 112.454 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.534 ' HB ' ' CG2' ' A' ' 4' ' ' THR . 27.7 mm -81.57 99.24 4.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.225 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 64.0 m . . . . . 0 C--N 1.331 -0.229 0 CA-C-O 120.998 0.428 . . . . 0.0 111.286 -179.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.56 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 58.8 m . . . . . 0 N--CA 1.467 0.377 0 CA-C-O 120.57 0.224 . . . . 0.0 110.69 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.564 ' CG2' ' HB ' ' A' ' 10' ' ' ILE . 59.8 p -67.84 -160.51 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.596 -179.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.65 ' N ' ' HD2' ' A' ' 5' ' ' LYS . 5.5 mptt -117.39 45.92 1.81 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.973 0.416 . . . . 0.0 110.633 -179.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.1 p -135.84 -178.26 5.05 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.044 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.6 mp -140.43 116.01 7.69 Favored Pre-proline 0 C--O 1.233 0.192 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.685 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -70.71 136.57 41.46 Favored 'Cis proline' 0 C--N 1.349 0.555 0 C-N-CA 123.469 -1.471 . . . . 0.0 112.244 -0.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.56 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 26.7 Cg_endo -63.21 136.9 58.26 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.751 2.3 . . . . 0.0 112.227 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.564 ' HB ' ' CG2' ' A' ' 4' ' ' THR . 23.0 mm -78.68 97.8 2.44 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 178.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.489 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 76.6 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 121.128 0.49 . . . . 0.0 112.268 -178.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.644 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 41.9 m . . . . . 0 N--CA 1.464 0.227 0 CA-C-O 120.645 0.26 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.565 ' CG2' ' HB ' ' A' ' 10' ' ' ILE . 56.9 p -63.18 162.09 12.46 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.982 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.493 ' H ' ' HD3' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -87.12 38.83 0.83 Allowed 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 179.266 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.9 p -124.94 -174.24 2.99 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.848 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.7 mp -140.27 116.92 7.97 Favored Pre-proline 0 CA--C 1.531 0.236 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.627 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -73.91 137.16 48.33 Favored 'Cis proline' 0 C--N 1.35 0.619 0 C-N-CA 123.612 -1.412 . . . . 0.0 112.262 -0.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.644 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 23.5 Cg_endo -62.87 129.92 27.62 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.673 2.249 . . . . 0.0 112.38 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.565 ' HB ' ' CG2' ' A' ' 4' ' ' THR . 35.1 mm -80.16 103.28 6.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 179.211 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.533 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 69.1 m . . . . . 0 C--N 1.331 -0.235 0 CA-C-O 120.969 0.414 . . . . 0.0 111.388 -179.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.61 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 58.2 m . . . . . 0 N--CA 1.463 0.189 0 CA-C-O 120.624 0.249 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.488 ' CG2' ' HB ' ' A' ' 10' ' ' ILE . 65.6 p -68.39 166.09 17.42 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.985 0.421 . . . . 0.0 111.372 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.22 -5.44 51.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.081 179.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.3 p -77.54 -179.24 5.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.011 0.434 . . . . 0.0 111.717 -179.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.5 mp -139.87 116.19 8.14 Favored Pre-proline 0 CA--C 1.53 0.209 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.628 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_exo -71.39 139.85 61.32 Favored 'Cis proline' 0 C--N 1.349 0.577 0 C-N-CA 123.45 -1.479 . . . . 0.0 112.284 -0.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.61 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 21.9 Cg_endo -61.55 133.56 46.33 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.974 2.449 . . . . 0.0 111.85 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.488 ' HB ' ' CG2' ' A' ' 4' ' ' THR . 29.7 mm -79.17 100.62 3.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 179.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 86.1 m . . . . . 0 C--N 1.33 -0.247 0 CA-C-O 120.959 0.409 . . . . 0.0 111.208 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.476 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 67.6 m . . . . . 0 N--CA 1.466 0.345 0 CA-C-O 120.676 0.274 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.3 p -66.39 162.11 21.14 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.357 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.459 ' H ' ' HD2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -82.88 26.95 0.56 Allowed 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.044 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.0 p -104.69 -178.64 3.71 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.775 0.322 . . . . 0.0 110.832 179.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.6 mp -140.49 114.72 7.43 Favored Pre-proline 0 CA--C 1.53 0.204 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.734 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -72.16 140.35 65.43 Favored 'Cis proline' 0 C--N 1.349 0.572 0 C-N-CA 123.693 -1.378 . . . . 0.0 112.222 -0.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.476 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 22.0 Cg_endo -62.87 131.06 31.44 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 122.611 2.208 . . . . 0.0 112.761 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.48 ' N ' ' CD1' ' A' ' 10' ' ' ILE . 1.2 mp -81.08 105.75 11.39 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.367 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 178.334 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 70.5 m . . . . . 0 C--N 1.323 -0.576 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.092 -178.533 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.516 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 60.9 m . . . . . 0 N--CA 1.465 0.297 0 CA-C-O 120.66 0.267 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.515 ' CG2' ' HB ' ' A' ' 10' ' ' ILE . 60.6 p -66.53 159.38 27.45 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.804 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.48 30.84 0.41 Allowed 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.8 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.2 p -112.76 -175.75 2.75 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.822 0.344 . . . . 0.0 110.877 179.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.7 mp -141.5 116.4 7.04 Favored Pre-proline 0 CA--C 1.53 0.198 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.548 179.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -72.22 138.09 52.28 Favored 'Cis proline' 0 C--N 1.35 0.612 0 C-N-CA 123.531 -1.446 . . . . 0.0 112.224 -0.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.516 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 25.1 Cg_endo -62.7 132.87 39.47 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.881 2.388 . . . . 0.0 112.362 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.515 ' HB ' ' CG2' ' A' ' 4' ' ' THR . 30.5 mm -79.17 99.56 3.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 178.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.8 m . . . . . 0 C--N 1.33 -0.252 0 CA-C-O 121.179 0.514 . . . . 0.0 112.071 -178.716 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.556 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 62.8 m . . . . . 0 N--CA 1.465 0.281 0 CA-C-O 120.542 0.21 . . . . 0.0 110.609 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.514 ' CG2' ' HB ' ' A' ' 10' ' ' ILE . 66.5 p -62.75 162.12 11.38 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.418 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.556 ' C ' ' HD2' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -84.98 32.01 0.54 Allowed 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.52 178.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.6 p -115.28 -172.69 2.18 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.761 0.315 . . . . 0.0 110.863 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.9 mp -143.04 116.33 6.11 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.446 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -72.95 138.92 58.29 Favored 'Cis proline' 0 C--N 1.349 0.57 0 C-N-CA 123.548 -1.438 . . . . 0.0 112.058 -0.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.556 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 22.9 Cg_endo -61.88 130.58 31.59 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.688 2.258 . . . . 0.0 112.181 179.756 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.514 ' HB ' ' CG2' ' A' ' 4' ' ' THR . 29.3 mm -79.44 100.23 3.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.494 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 79.7 m . . . . . 0 CA--C 1.531 0.213 0 CA-C-O 121.011 0.434 . . . . 0.0 111.596 -179.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.593 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 59.4 m . . . . . 0 N--CA 1.465 0.293 0 CA-C-O 120.531 0.205 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.568 ' CG2' ' HB ' ' A' ' 10' ' ' ILE . 72.7 p -67.35 -175.69 0.51 Allowed 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.924 0.392 . . . . 0.0 111.426 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.706 ' HD3' ' N ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -103.29 43.32 1.09 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.15 0.5 . . . . 0.0 110.656 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.3 p -130.82 -179.09 5.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.975 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.6 mp -140.63 116.28 7.59 Favored Pre-proline 0 C--O 1.233 0.212 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.649 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -70.82 136.98 43.78 Favored 'Cis proline' 0 C--N 1.349 0.573 0 C-N-CA 123.398 -1.501 . . . . 0.0 112.229 -0.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.593 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 28.1 Cg_endo -63.41 136.15 53.49 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.802 2.335 . . . . 0.0 112.126 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.568 ' HB ' ' CG2' ' A' ' 4' ' ' THR . 33.9 mm -78.43 97.63 2.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.154 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 76.8 m . . . . . 0 C--N 1.331 -0.218 0 CA-C-O 121.141 0.496 . . . . 0.0 111.813 -178.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.571 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 60.4 m . . . . . 0 N--CA 1.465 0.305 0 CA-C-O 120.579 0.228 . . . . 0.0 110.808 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.574 ' CG2' ' HB ' ' A' ' 10' ' ' ILE . 72.7 p -67.14 -175.78 0.48 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.931 0.396 . . . . 0.0 111.483 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.71 ' HD3' ' N ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -103.29 43.27 1.09 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.669 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.6 p -130.38 -179.48 5.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.003 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.6 mp -140.8 116.32 7.47 Favored Pre-proline 0 C--O 1.233 0.218 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.613 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -70.28 137.01 42.75 Favored 'Cis proline' 0 C--N 1.349 0.565 0 C-N-CA 123.461 -1.475 . . . . 0.0 112.213 -0.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.571 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 27.7 Cg_endo -63.1 136.1 54.47 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.769 2.313 . . . . 0.0 112.211 179.726 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.574 ' HB ' ' CG2' ' A' ' 4' ' ' THR . 32.7 mm -78.36 96.64 1.99 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.049 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 74.0 m . . . . . 0 C--N 1.331 -0.228 0 CA-C-O 121.085 0.469 . . . . 0.0 111.916 -178.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.628 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 46.3 m . . . . . 0 C--O 1.233 0.215 0 CA-C-O 120.577 0.227 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.579 ' CG2' ' HB ' ' A' ' 10' ' ' ILE . 43.0 p -71.11 -167.43 0.22 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.913 0.387 . . . . 0.0 111.535 -179.628 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.594 ' N ' ' HD2' ' A' ' 5' ' ' LYS . 1.2 mptp? -107.15 38.96 1.98 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.683 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.0 p -123.54 -178.46 4.02 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.812 0.339 . . . . 0.0 111.159 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.6 mp -140.69 114.58 7.27 Favored Pre-proline 0 C--O 1.233 0.2 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.758 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -70.19 140.26 60.81 Favored 'Cis proline' 0 C--N 1.348 0.518 0 C-N-CA 123.469 -1.471 . . . . 0.0 112.223 -0.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.628 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 25.6 Cg_endo -61.89 135.26 54.61 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.766 2.311 . . . . 0.0 112.366 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.579 ' HB ' ' CG2' ' A' ' 4' ' ' THR . 25.1 mm -78.9 97.31 2.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.085 179.427 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 63.0 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.16 -179.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.49 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 78.3 m . . . . . 0 N--CA 1.467 0.392 0 N-CA-C 110.353 -0.239 . . . . 0.0 110.353 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.532 ' CG2' ' HB ' ' A' ' 10' ' ' ILE . 48.6 p -65.47 165.78 11.47 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.866 179.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.482 ' H ' ' HD3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -89.62 29.87 1.09 Allowed 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.425 179.445 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.2 p -111.47 -175.41 2.69 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.885 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.6 mp -140.86 116.26 7.42 Favored Pre-proline 0 CA--C 1.531 0.23 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.952 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -72.63 139.25 59.7 Favored 'Cis proline' 0 C--N 1.349 0.592 0 C-N-CA 123.487 -1.464 . . . . 0.0 112.079 -0.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.463 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 20.5 Cg_endo -61.73 131.23 34.48 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.649 2.233 . . . . 0.0 112.46 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.532 ' HB ' ' CG2' ' A' ' 4' ' ' THR . 30.1 mm -79.23 98.94 3.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 178.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.49 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 75.3 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 121.027 0.441 . . . . 0.0 112.082 -178.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.719 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 31.8 m . . . . . 0 N--CA 1.463 0.213 0 CA-C-O 120.63 0.252 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.567 ' CG2' ' HB ' ' A' ' 10' ' ' ILE . 52.1 p -68.41 -164.17 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.881 0.372 . . . . 0.0 111.57 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.633 ' N ' ' HD2' ' A' ' 5' ' ' LYS . 1.9 mptp? -111.7 46.84 1.08 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.618 -179.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.6 p -137.65 -177.89 5.0 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.979 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.6 mp -140.47 116.27 7.71 Favored Pre-proline 0 CA--C 1.53 0.2 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.709 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo -71.01 136.52 41.87 Favored 'Cis proline' 0 C--N 1.35 0.609 0 C-N-CA 123.43 -1.488 . . . . 0.0 112.238 -0.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.719 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 30.7 Cg_endo -64.53 136.56 50.87 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.738 2.292 . . . . 0.0 112.215 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.567 ' HB ' ' CG2' ' A' ' 4' ' ' THR . 29.0 mm -78.73 98.66 2.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 179.44 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.523 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 64.1 m . . . . . 0 C--N 1.332 -0.188 0 CA-C-O 121.057 0.455 . . . . 0.0 111.511 -179.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.555 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 58.0 m . . . . . 0 N--CA 1.466 0.346 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.533 ' CG2' ' HB ' ' A' ' 10' ' ' ILE . 32.2 p -64.96 -174.39 0.14 Allowed 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.964 0.411 . . . . 0.0 111.855 -179.084 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.647 ' N ' ' HD2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -105.69 43.43 1.13 Allowed 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.606 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.9 p -128.69 -178.63 4.67 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.782 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.5 mp -139.5 115.13 8.21 Favored Pre-proline 0 CA--C 1.53 0.189 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.731 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -72.35 137.62 49.73 Favored 'Cis proline' 0 C--N 1.349 0.553 0 C-N-CA 123.638 -1.401 . . . . 0.0 112.335 -0.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.555 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 18.2 Cg_endo -61.58 134.29 50.25 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 122.835 2.357 . . . . 0.0 112.604 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.533 ' HB ' ' CG2' ' A' ' 4' ' ' THR . 27.8 mm -80.21 107.35 12.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 178.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.484 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 86.4 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 121.125 0.488 . . . . 0.0 112.194 -178.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.599 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 56.3 m . . . . . 0 N--CA 1.466 0.347 0 CA-C-O 120.727 0.298 . . . . 0.0 111.123 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.486 ' CG2' ' HB ' ' A' ' 10' ' ' ILE . 53.8 p -62.03 161.14 11.26 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.963 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.91 32.97 0.52 Allowed 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 179.551 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.7 p -115.59 -176.44 2.93 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.762 0.315 . . . . 0.0 110.858 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.7 mp -141.68 116.74 6.98 Favored Pre-proline 0 CA--C 1.53 0.197 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.625 179.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_exo -71.5 137.06 45.29 Favored 'Cis proline' 0 C--N 1.349 0.599 0 C-N-CA 123.549 -1.438 . . . . 0.0 112.267 -0.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.599 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 22.2 Cg_endo -62.71 131.86 35.12 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.754 2.303 . . . . 0.0 112.476 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.486 ' HB ' ' CG2' ' A' ' 4' ' ' THR . 21.1 mm -79.79 105.01 8.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 73.4 m . . . . . 0 C--N 1.328 -0.343 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -178.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.284 0 N-CA-C 112.606 -0.198 . . . . 0.0 112.606 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.522 ' HG2' ' HB2' ' A' ' 12' ' ' PHE . 38.4 ptt180 -76.66 131.3 38.75 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.464 0.173 . . . . 0.0 110.692 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.568 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 59.1 m -117.22 136.12 53.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.676 0.274 . . . . 0.0 111.27 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.517 ' CG2' ' HB ' ' A' ' 10' ' ' ILE . 67.7 p -67.83 161.26 26.64 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.132 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.04 27.66 0.39 Allowed 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 116.119 -0.492 . . . . 0.0 112.044 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.1 p -109.69 -177.35 3.25 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.756 0.312 . . . . 0.0 110.998 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.7 mp -141.38 115.9 7.03 Favored Pre-proline 0 CA--C 1.531 0.215 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.551 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_exo -70.91 138.93 54.95 Favored 'Cis proline' 0 C--N 1.349 0.587 0 C-N-CA 123.517 -1.451 . . . . 0.0 112.271 -0.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.568 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 26.7 Cg_endo -62.68 133.93 44.74 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.799 2.333 . . . . 0.0 112.336 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.517 ' HB ' ' CG2' ' A' ' 4' ' ' THR . 28.1 mm -78.8 98.13 2.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 179.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 2' ' ' ARG . 73.9 m -88.76 116.67 27.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.222 0.534 . . . . 0.0 112.113 -178.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.522 ' HB2' ' HG2' ' A' ' 2' ' ' ARG . 5.6 m-85 -94.44 145.15 29.17 Favored Pre-proline 0 C--O 1.235 0.333 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.162 179.016 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -50.93 -34.14 44.69 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 123.256 2.637 . . . . 0.0 113.057 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 37.0 t70 . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.108 -0.949 . . . . 0.0 110.82 -179.991 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.317 0 CA-C-O 120.317 -0.157 . . . . 0.0 112.846 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.51 ' CG ' ' HB2' ' A' ' 12' ' ' PHE . 17.0 ptm180 -76.28 159.44 30.59 Favored 'General case' 0 N--CA 1.462 0.143 0 N-CA-C 110.37 -0.233 . . . . 0.0 110.37 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.581 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 57.6 m -154.61 138.58 16.36 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.159 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.476 ' CG2' ' HB ' ' A' ' 10' ' ' ILE . 47.8 p -66.64 160.91 24.45 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.78 26.2 0.51 Allowed 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.7 p -105.65 -176.96 3.23 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.77 0.319 . . . . 0.0 110.939 179.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.7 mp -141.57 115.25 6.81 Favored Pre-proline 0 CA--C 1.53 0.195 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.698 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_exo -70.66 139.96 60.42 Favored 'Cis proline' 0 C--N 1.349 0.604 0 C-N-CA 123.647 -1.397 . . . . 0.0 112.209 -0.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.581 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 25.0 Cg_endo -62.88 132.17 36.03 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.767 2.311 . . . . 0.0 112.495 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.476 ' HB ' ' CG2' ' A' ' 4' ' ' THR . 17.1 mm -79.52 102.99 5.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.495 ' HA ' ' O ' ' A' ' 2' ' ' ARG . 74.1 m -89.12 134.67 33.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.104 0.478 . . . . 0.0 112.146 -178.515 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.51 ' HB2' ' CG ' ' A' ' 2' ' ' ARG . 17.0 m-85 -121.78 155.88 59.71 Favored Pre-proline 0 C--O 1.236 0.362 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.056 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.438 ' HD2' ' HB3' ' A' ' 12' ' ' PHE . 11.3 Cg_endo -55.34 -28.26 62.01 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 123.377 2.718 . . . . 0.0 112.806 179.163 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.483 ' HB2' ' CD ' ' A' ' 2' ' ' ARG . 50.7 m-20 . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.36 -0.829 . . . . 0.0 111.851 -179.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 CA-C-O 120.31 -0.161 . . . . 0.0 112.951 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.473 ' HG2' ' HB2' ' A' ' 12' ' ' PHE . 38.1 ptt180 -77.65 130.1 36.42 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.769 0.285 . . . . 0.0 110.519 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.537 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 59.5 m -116.62 142.36 46.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.672 0.273 . . . . 0.0 111.14 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.55 ' CG2' ' HB ' ' A' ' 10' ' ' ILE . 70.4 p -67.47 -165.34 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.226 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.467 ' H ' ' HD3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -117.14 45.43 1.88 Allowed 'General case' 0 C--O 1.233 0.237 0 CA-C-O 121.246 0.546 . . . . 0.0 110.419 179.184 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.5 p -133.41 176.31 8.64 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.184 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.3 mm -129.28 114.46 18.44 Favored Pre-proline 0 CA--C 1.53 0.197 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.037 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -76.49 142.54 73.43 Favored 'Cis proline' 0 C--N 1.349 0.56 0 C-N-CA 123.569 -1.43 . . . . 0.0 111.972 -0.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.537 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 27.1 Cg_endo -63.82 135.17 47.0 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.639 2.226 . . . . 0.0 112.483 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.55 ' HB ' ' CG2' ' A' ' 4' ' ' THR . 32.2 mm -79.19 100.96 4.16 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 2' ' ' ARG . 85.9 m -91.82 120.11 32.23 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.097 0.475 . . . . 0.0 111.716 -178.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.473 ' HB2' ' HG2' ' A' ' 2' ' ' ARG . 5.0 m-85 -96.63 145.03 28.86 Favored Pre-proline 0 C--O 1.236 0.363 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.68 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -56.14 -26.63 61.27 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 123.206 2.604 . . . . 0.0 112.915 179.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.0 t70 . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.122 -0.942 . . . . 0.0 111.007 -179.892 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.215 0 N-CA-C 112.546 -0.222 . . . . 0.0 112.546 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.591 ' HG2' ' HB2' ' A' ' 12' ' ' PHE . 8.9 ptp180 -74.69 132.91 42.06 Favored 'General case' 0 C--O 1.222 -0.382 0 N-CA-C 110.453 -0.202 . . . . 0.0 110.453 179.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.506 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 61.6 m -118.26 137.9 52.72 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.672 0.272 . . . . 0.0 110.667 179.508 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.615 ' CG2' ' HB ' ' A' ' 10' ' ' ILE . 55.9 p -67.19 -160.61 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.704 -179.431 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.645 ' N ' ' HD2' ' A' ' 5' ' ' LYS . 5.5 mptt -116.94 44.77 1.99 Allowed 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 121.003 0.43 . . . . 0.0 110.607 -179.348 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.0 p -133.17 -177.89 4.72 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.0 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.6 mp -140.43 115.44 7.59 Favored Pre-proline 0 CA--C 1.531 0.227 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.678 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo -71.06 137.96 49.81 Favored 'Cis proline' 0 C--N 1.349 0.593 0 C-N-CA 123.447 -1.48 . . . . 0.0 112.198 -0.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.506 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 26.3 Cg_endo -62.39 136.99 62.53 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.833 2.356 . . . . 0.0 112.261 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.615 ' HB ' ' CG2' ' A' ' 4' ' ' THR . 33.8 mm -78.34 96.84 2.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.108 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.553 ' HA ' ' O ' ' A' ' 2' ' ' ARG . 82.6 m -91.41 115.57 28.14 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 121.029 0.443 . . . . 0.0 111.905 -178.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.591 ' HB2' ' HG2' ' A' ' 2' ' ' ARG . 4.8 m-85 -89.84 143.19 29.79 Favored Pre-proline 0 C--O 1.237 0.402 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.095 179.211 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -49.04 -34.28 29.12 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 123.259 2.64 . . . . 0.0 113.022 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.9 t70 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.469 -0.777 . . . . 0.0 110.586 179.924 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 CA-C-O 120.362 -0.132 . . . . 0.0 112.874 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.559 ' CD ' ' HB3' ' A' ' 14' ' ' ASP . 17.4 ptm180 -83.41 159.21 21.84 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.715 0.293 . . . . 0.0 111.088 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.526 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 64.5 m -153.57 141.47 20.18 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.499 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.578 ' CG2' ' HB ' ' A' ' 10' ' ' ILE . 69.3 p -67.89 -169.21 0.12 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.849 0.357 . . . . 0.0 111.502 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.621 ' N ' ' HD2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -109.55 45.7 1.06 Allowed 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.713 -179.767 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.3 p -134.47 -178.73 5.19 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.037 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.6 mp -140.46 116.06 7.68 Favored Pre-proline 0 CA--C 1.531 0.224 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.641 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -70.76 136.78 42.65 Favored 'Cis proline' 0 C--N 1.349 0.568 0 C-N-CA 123.477 -1.468 . . . . 0.0 112.196 -0.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.526 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 26.5 Cg_endo -63.11 136.29 55.45 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.751 2.301 . . . . 0.0 112.208 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.578 ' HB ' ' CG2' ' A' ' 4' ' ' THR . 25.8 mm -78.42 96.56 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.479 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 73.5 m -88.98 129.51 35.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.305 -178.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.555 ' HB2' ' CG ' ' A' ' 2' ' ' ARG . 12.7 m-85 -112.43 153.59 44.81 Favored Pre-proline 0 C--O 1.235 0.33 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.894 179.018 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -73.02 32.31 0.3 Allowed 'Trans proline' 0 N--CA 1.478 0.591 0 C-N-CA 123.133 2.555 . . . . 0.0 114.076 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.559 ' HB3' ' CD ' ' A' ' 2' ' ' ARG . 36.1 t70 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.14 -0.934 . . . . 0.0 111.122 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.237 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.476 ' CG ' ' HB2' ' A' ' 12' ' ' PHE . 7.0 ptm180 -82.37 158.83 23.2 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 110.37 -0.233 . . . . 0.0 110.37 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.511 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 61.8 m -153.59 138.31 17.01 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.978 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.5 ' CG2' ' HB ' ' A' ' 10' ' ' ILE . 55.5 p -67.82 162.84 23.12 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.112 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.94 11.82 3.1 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 179.183 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.4 p -91.5 -178.45 5.1 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.91 0.386 . . . . 0.0 111.109 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.6 mp -143.29 116.7 6.05 Favored Pre-proline 0 CA--C 1.531 0.228 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.429 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -68.66 138.04 44.05 Favored 'Cis proline' 0 C--N 1.349 0.58 0 C-N-CA 123.528 -1.447 . . . . 0.0 112.208 -0.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.511 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 20.9 Cg_endo -61.46 132.6 41.57 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.813 2.342 . . . . 0.0 112.521 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.5 ' HB ' ' CG2' ' A' ' 4' ' ' THR . 18.7 mm -79.24 100.1 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 178.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.479 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 72.3 m -88.76 132.36 34.65 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -178.506 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.476 ' HB2' ' CG ' ' A' ' 2' ' ' ARG . 16.4 m-85 -118.52 153.96 52.18 Favored Pre-proline 0 C--O 1.237 0.397 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.513 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_endo -56.95 -27.69 74.34 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 123.081 2.521 . . . . 0.0 112.789 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.414 ' HB3' ' HD2' ' A' ' 2' ' ' ARG . 31.0 t70 . . . . . 0 C--O 1.251 1.132 0 CA-C-O 118.831 -0.604 . . . . 0.0 110.95 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.29 0 N-CA-C 112.682 -0.167 . . . . 0.0 112.682 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.434 ' HG3' ' O ' ' A' ' 2' ' ' ARG . 22.8 ptt180 -68.7 121.22 16.02 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.84 0.352 . . . . 0.0 111.172 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.622 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 54.3 m -104.18 135.05 46.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.718 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.534 ' CG2' ' HB ' ' A' ' 10' ' ' ILE . 49.0 p -65.44 179.05 0.83 Allowed 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.991 0.424 . . . . 0.0 111.545 -179.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp -99.83 40.23 1.25 Allowed 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.485 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.6 p -123.85 -176.2 3.41 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.804 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.3 mp -139.72 114.16 7.9 Favored Pre-proline 0 CA--C 1.53 0.208 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.698 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -73.65 141.14 70.87 Favored 'Cis proline' 0 C--N 1.348 0.52 0 C-N-CA 123.683 -1.382 . . . . 0.0 112.299 -0.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.622 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 25.9 Cg_endo -62.77 134.26 46.1 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.846 2.364 . . . . 0.0 112.454 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.534 ' HB ' ' CG2' ' A' ' 4' ' ' THR . 27.7 mm -81.57 99.24 4.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.225 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 64.0 m -86.67 105.11 16.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.998 0.428 . . . . 0.0 111.286 -179.337 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -87.88 147.35 40.84 Favored Pre-proline 0 C--O 1.232 0.171 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.664 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -54.1 -30.65 61.3 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.929 2.419 . . . . 0.0 112.311 178.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.4 t70 . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.371 -0.823 . . . . 0.0 110.867 179.769 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.3 0 N-CA-C 112.579 -0.208 . . . . 0.0 112.579 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.523 ' CG ' ' HB2' ' A' ' 12' ' ' PHE . 7.5 ptm180 -78.07 161.23 27.58 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-O 120.495 0.188 . . . . 0.0 110.516 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.56 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 58.8 m -153.26 144.04 22.76 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.69 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.564 ' CG2' ' HB ' ' A' ' 10' ' ' ILE . 59.8 p -67.84 -160.51 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.596 -179.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.65 ' N ' ' HD2' ' A' ' 5' ' ' LYS . 5.5 mptt -117.39 45.92 1.81 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.973 0.416 . . . . 0.0 110.633 -179.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.1 p -135.84 -178.26 5.05 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.044 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.6 mp -140.43 116.01 7.69 Favored Pre-proline 0 C--O 1.233 0.192 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.685 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -70.71 136.57 41.46 Favored 'Cis proline' 0 C--N 1.349 0.555 0 C-N-CA 123.469 -1.471 . . . . 0.0 112.244 -0.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.56 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 26.7 Cg_endo -63.21 136.9 58.26 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.751 2.3 . . . . 0.0 112.227 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.564 ' HB ' ' CG2' ' A' ' 4' ' ' THR . 23.0 mm -78.68 97.8 2.44 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 178.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.491 ' HA ' ' O ' ' A' ' 2' ' ' ARG . 76.6 m -89.18 131.22 35.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.128 0.49 . . . . 0.0 112.268 -178.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.523 ' HB2' ' CG ' ' A' ' 2' ' ' ARG . 5.3 m-85 -113.69 153.78 45.84 Favored Pre-proline 0 C--O 1.236 0.39 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.71 179.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -53.82 -29.01 50.72 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 123.367 2.711 . . . . 0.0 113.294 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.504 ' HB3' ' HD2' ' A' ' 2' ' ' ARG . 42.0 t0 . . . . . 0 C--O 1.252 1.188 0 CA-C-O 118.986 -0.53 . . . . 0.0 110.912 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.241 0 N-CA-C 112.556 -0.218 . . . . 0.0 112.556 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.517 ' HG3' ' HB2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -77.02 116.86 18.05 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.857 0.36 . . . . 0.0 110.852 179.869 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.644 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 41.9 m -100.92 138.48 37.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.565 ' CG2' ' HB ' ' A' ' 10' ' ' ILE . 56.9 p -63.18 162.09 12.46 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.982 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.493 ' H ' ' HD3' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -87.12 38.83 0.83 Allowed 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 179.266 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.9 p -124.94 -174.24 2.99 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.848 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.7 mp -140.27 116.92 7.97 Favored Pre-proline 0 CA--C 1.531 0.236 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.627 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -73.91 137.16 48.33 Favored 'Cis proline' 0 C--N 1.35 0.619 0 C-N-CA 123.612 -1.412 . . . . 0.0 112.262 -0.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.644 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 23.5 Cg_endo -62.87 129.92 27.62 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.673 2.249 . . . . 0.0 112.38 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.565 ' HB ' ' CG2' ' A' ' 4' ' ' THR . 35.1 mm -80.16 103.28 6.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 179.211 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.533 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 69.1 m -87.01 115.16 24.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.969 0.414 . . . . 0.0 111.388 -179.292 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.517 ' HB2' ' HG3' ' A' ' 2' ' ' ARG . 19.5 m-85 -96.4 148.28 34.24 Favored Pre-proline 0 C--O 1.234 0.258 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.9 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -54.69 -31.63 72.12 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 123.072 2.515 . . . . 0.0 112.375 179.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.414 ' HB3' ' NH1' ' A' ' 2' ' ' ARG . 37.8 t0 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.336 -0.84 . . . . 0.0 110.747 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.233 0 CA-C-O 120.226 -0.208 . . . . 0.0 112.902 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.501 ' O ' ' HA ' ' A' ' 11' ' ' CYS . 31.4 ptt180 -78.96 125.88 29.96 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 116.839 0.319 . . . . 0.0 110.616 179.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.61 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 58.2 m -109.53 134.77 51.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.624 0.249 . . . . 0.0 111.038 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.488 ' CG2' ' HB ' ' A' ' 10' ' ' ILE . 65.6 p -68.39 166.09 17.42 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.985 0.421 . . . . 0.0 111.372 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.22 -5.44 51.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.081 179.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.3 p -77.54 -179.24 5.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.011 0.434 . . . . 0.0 111.717 -179.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.5 mp -139.87 116.19 8.14 Favored Pre-proline 0 CA--C 1.53 0.209 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.628 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_exo -71.39 139.85 61.32 Favored 'Cis proline' 0 C--N 1.349 0.577 0 C-N-CA 123.45 -1.479 . . . . 0.0 112.284 -0.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.61 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 21.9 Cg_endo -61.55 133.56 46.33 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.974 2.449 . . . . 0.0 111.85 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.488 ' HB ' ' CG2' ' A' ' 4' ' ' THR . 29.7 mm -79.17 100.62 3.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 179.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.501 ' HA ' ' O ' ' A' ' 2' ' ' ARG . 86.1 m -87.67 103.21 15.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.959 0.409 . . . . 0.0 111.208 -179.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.402 ' HB2' ' CG ' ' A' ' 2' ' ' ARG . 31.8 m-85 -83.38 145.05 47.52 Favored Pre-proline 0 C--O 1.233 0.223 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.775 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -57.48 -23.29 55.14 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 123.067 2.511 . . . . 0.0 113.101 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.6 t70 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.082 -0.961 . . . . 0.0 110.874 -179.86 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.264 0 N-CA-C 112.797 -0.121 . . . . 0.0 112.797 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.603 ' HG2' ' HB2' ' A' ' 12' ' ' PHE . 11.6 ptp180 -74.88 135.76 41.51 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 110.305 -0.258 . . . . 0.0 110.305 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.476 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 67.6 m -122.73 132.51 54.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.676 0.274 . . . . 0.0 110.873 179.494 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.3 p -66.39 162.11 21.14 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.357 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.459 ' H ' ' HD2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -82.88 26.95 0.56 Allowed 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.044 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.0 p -104.69 -178.64 3.71 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.775 0.322 . . . . 0.0 110.832 179.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.6 mp -140.49 114.72 7.43 Favored Pre-proline 0 CA--C 1.53 0.204 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.734 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -72.16 140.35 65.43 Favored 'Cis proline' 0 C--N 1.349 0.572 0 C-N-CA 123.693 -1.378 . . . . 0.0 112.222 -0.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.476 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 22.0 Cg_endo -62.87 131.06 31.44 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 122.611 2.208 . . . . 0.0 112.761 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.48 ' N ' ' CD1' ' A' ' 10' ' ' ILE . 1.2 mp -81.08 105.75 11.39 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.367 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 178.334 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.545 ' HA ' ' O ' ' A' ' 2' ' ' ARG . 70.5 m -93.14 125.56 37.8 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.092 -178.533 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.603 ' HB2' ' HG2' ' A' ' 2' ' ' ARG . 2.0 m-85 -98.52 143.48 26.39 Favored Pre-proline 0 C--O 1.238 0.449 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.873 179.019 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -51.04 -32.42 38.81 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 123.191 2.594 . . . . 0.0 112.829 179.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.3 t70 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.381 -0.819 . . . . 0.0 110.946 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.258 0 N-CA-C 112.615 -0.194 . . . . 0.0 112.615 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.508 ' HG2' ' HB2' ' A' ' 12' ' ' PHE . 38.0 ptt180 -76.05 131.6 39.6 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.502 0.191 . . . . 0.0 110.772 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.516 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 60.9 m -117.79 135.64 53.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.66 0.267 . . . . 0.0 111.122 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.515 ' CG2' ' HB ' ' A' ' 10' ' ' ILE . 60.6 p -66.53 159.38 27.45 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.804 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.48 30.84 0.41 Allowed 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.8 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.2 p -112.76 -175.75 2.75 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.822 0.344 . . . . 0.0 110.877 179.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.7 mp -141.5 116.4 7.04 Favored Pre-proline 0 CA--C 1.53 0.198 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.548 179.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -72.22 138.09 52.28 Favored 'Cis proline' 0 C--N 1.35 0.612 0 C-N-CA 123.531 -1.446 . . . . 0.0 112.224 -0.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.516 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 25.1 Cg_endo -62.7 132.87 39.47 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.881 2.388 . . . . 0.0 112.362 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.515 ' HB ' ' CG2' ' A' ' 4' ' ' THR . 30.5 mm -79.17 99.56 3.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 178.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 2' ' ' ARG . 73.8 m -89.79 117.13 28.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.179 0.514 . . . . 0.0 112.071 -178.716 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.508 ' HB2' ' HG2' ' A' ' 2' ' ' ARG . 7.7 m-85 -95.93 144.94 28.68 Favored Pre-proline 0 C--O 1.235 0.328 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.226 179.208 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -51.32 -33.39 45.5 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 123.294 2.663 . . . . 0.0 113.03 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.6 t70 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.519 -0.753 . . . . 0.0 110.837 -179.895 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.218 0 N-CA-C 112.375 -0.29 . . . . 0.0 112.375 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.6 ' O ' ' HA ' ' A' ' 11' ' ' CYS . 8.3 ptp180 -68.26 128.37 36.31 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 179.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.556 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 62.8 m -114.98 130.36 56.91 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.542 0.21 . . . . 0.0 110.609 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.514 ' CG2' ' HB ' ' A' ' 10' ' ' ILE . 66.5 p -62.75 162.12 11.38 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.418 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.556 ' C ' ' HD2' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -84.98 32.01 0.54 Allowed 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.52 178.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.6 p -115.28 -172.69 2.18 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.761 0.315 . . . . 0.0 110.863 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.9 mp -143.04 116.33 6.11 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.446 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -72.95 138.92 58.29 Favored 'Cis proline' 0 C--N 1.349 0.57 0 C-N-CA 123.548 -1.438 . . . . 0.0 112.058 -0.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.556 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 22.9 Cg_endo -61.88 130.58 31.59 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.688 2.258 . . . . 0.0 112.181 179.756 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.514 ' HB ' ' CG2' ' A' ' 4' ' ' THR . 29.3 mm -79.44 100.23 3.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.494 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.6 ' HA ' ' O ' ' A' ' 2' ' ' ARG . 79.7 m -88.37 104.7 17.01 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 121.011 0.434 . . . . 0.0 111.596 -179.096 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.539 ' HB2' ' CG ' ' A' ' 2' ' ' ARG . 28.6 m-85 -85.94 146.03 42.35 Favored Pre-proline 0 C--O 1.234 0.258 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.899 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -59.39 -25.17 77.56 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 123.095 2.53 . . . . 0.0 113.146 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.6 t70 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.105 -0.95 . . . . 0.0 110.701 179.911 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.222 0 N-CA-C 112.646 -0.182 . . . . 0.0 112.646 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.481 ' HG2' ' HB2' ' A' ' 12' ' ' PHE . 37.2 ptt180 -77.96 130.32 36.4 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-O 120.543 0.211 . . . . 0.0 110.799 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.593 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 59.4 m -113.5 138.65 49.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.712 -0.222 . . . . 0.0 110.928 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.568 ' CG2' ' HB ' ' A' ' 10' ' ' ILE . 72.7 p -67.35 -175.69 0.51 Allowed 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.924 0.392 . . . . 0.0 111.426 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.706 ' HD3' ' N ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -103.29 43.32 1.09 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.15 0.5 . . . . 0.0 110.656 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.3 p -130.82 -179.09 5.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.975 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.6 mp -140.63 116.28 7.59 Favored Pre-proline 0 C--O 1.233 0.212 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.649 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -70.82 136.98 43.78 Favored 'Cis proline' 0 C--N 1.349 0.573 0 C-N-CA 123.398 -1.501 . . . . 0.0 112.229 -0.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.593 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 28.1 Cg_endo -63.41 136.15 53.49 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.802 2.335 . . . . 0.0 112.126 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.568 ' HB ' ' CG2' ' A' ' 4' ' ' THR . 33.9 mm -78.43 97.63 2.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.154 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 2' ' ' ARG . 76.8 m -89.58 113.52 24.96 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.141 0.496 . . . . 0.0 111.813 -178.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.481 ' HB2' ' HG2' ' A' ' 2' ' ' ARG . 11.5 m-85 -89.8 145.94 34.38 Favored Pre-proline 0 C--O 1.235 0.311 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.259 179.247 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -50.71 -34.28 43.4 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 123.325 2.683 . . . . 0.0 113.064 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.6 t70 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.141 -0.933 . . . . 0.0 110.874 -179.885 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 N-CA-C 112.612 -0.195 . . . . 0.0 112.612 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.481 ' CG ' ' HB2' ' A' ' 12' ' ' PHE . 38.1 ptt180 -81.04 132.05 35.34 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-O 120.472 0.177 . . . . 0.0 111.038 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.571 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 60.4 m -117.52 139.2 51.26 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.691 -0.231 . . . . 0.0 110.808 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.574 ' CG2' ' HB ' ' A' ' 10' ' ' ILE . 72.7 p -67.14 -175.78 0.48 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.931 0.396 . . . . 0.0 111.483 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.71 ' HD3' ' N ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -103.29 43.27 1.09 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.669 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.6 p -130.38 -179.48 5.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.003 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.6 mp -140.8 116.32 7.47 Favored Pre-proline 0 C--O 1.233 0.218 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.613 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -70.28 137.01 42.75 Favored 'Cis proline' 0 C--N 1.349 0.565 0 C-N-CA 123.461 -1.475 . . . . 0.0 112.213 -0.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.571 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 27.7 Cg_endo -63.1 136.1 54.47 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.769 2.313 . . . . 0.0 112.211 179.726 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.574 ' HB ' ' CG2' ' A' ' 4' ' ' THR . 32.7 mm -78.36 96.64 1.99 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.049 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 2' ' ' ARG . 74.0 m -89.18 116.62 27.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.085 0.469 . . . . 0.0 111.916 -178.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.481 ' HB2' ' CG ' ' A' ' 2' ' ' ARG . 8.5 m-85 -92.27 142.81 26.54 Favored Pre-proline 0 C--O 1.235 0.292 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.047 179.121 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -50.56 -38.48 54.76 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 123.364 2.709 . . . . 0.0 113.055 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.139 -0.934 . . . . 0.0 110.906 -179.796 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.271 0 CA-C-O 120.205 -0.22 . . . . 0.0 112.83 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.497 ' O ' ' HA ' ' A' ' 11' ' ' CYS . 30.0 ptt180 -70.83 124.27 23.93 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.804 0.302 . . . . 0.0 110.684 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.628 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 46.3 m -108.57 139.52 43.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.082 -179.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.579 ' CG2' ' HB ' ' A' ' 10' ' ' ILE . 43.0 p -71.11 -167.43 0.22 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.913 0.387 . . . . 0.0 111.535 -179.628 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.594 ' N ' ' HD2' ' A' ' 5' ' ' LYS . 1.2 mptp? -107.15 38.96 1.98 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.683 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.0 p -123.54 -178.46 4.02 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.812 0.339 . . . . 0.0 111.159 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.6 mp -140.69 114.58 7.27 Favored Pre-proline 0 C--O 1.233 0.2 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.758 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -70.19 140.26 60.81 Favored 'Cis proline' 0 C--N 1.348 0.518 0 C-N-CA 123.469 -1.471 . . . . 0.0 112.223 -0.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.628 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 25.6 Cg_endo -61.89 135.26 54.61 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.766 2.311 . . . . 0.0 112.366 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.579 ' HB ' ' CG2' ' A' ' 4' ' ' THR . 25.1 mm -78.9 97.31 2.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.085 179.427 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.497 ' HA ' ' O ' ' A' ' 2' ' ' ARG . 63.0 m -89.38 113.62 24.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.16 -179.331 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.42 ' HB2' ' CG ' ' A' ' 2' ' ' ARG . 29.0 m-85 -93.98 147.5 33.59 Favored Pre-proline 0 C--O 1.234 0.238 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.94 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -55.3 -36.14 92.97 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.912 2.408 . . . . 0.0 111.998 178.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 C--O 1.251 1.15 0 CA-C-O 118.417 -0.802 . . . . 0.0 111.514 179.88 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.213 0 CA-C-O 120.305 -0.164 . . . . 0.0 113.071 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.568 ' CG ' ' HB2' ' A' ' 12' ' ' PHE . 9.3 ptp180 -84.62 162.98 19.56 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.874 0.369 . . . . 0.0 111.59 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.49 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 78.3 m -154.98 135.69 13.56 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.353 179.156 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.532 ' CG2' ' HB ' ' A' ' 10' ' ' ILE . 48.6 p -65.47 165.78 11.47 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.866 179.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.482 ' H ' ' HD3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -89.62 29.87 1.09 Allowed 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.425 179.445 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.2 p -111.47 -175.41 2.69 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.885 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.6 mp -140.86 116.26 7.42 Favored Pre-proline 0 CA--C 1.531 0.23 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.952 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -72.63 139.25 59.7 Favored 'Cis proline' 0 C--N 1.349 0.592 0 C-N-CA 123.487 -1.464 . . . . 0.0 112.079 -0.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.463 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 20.5 Cg_endo -61.73 131.23 34.48 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.649 2.233 . . . . 0.0 112.46 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.532 ' HB ' ' CG2' ' A' ' 4' ' ' THR . 30.1 mm -79.23 98.94 3.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 178.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.49 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 75.3 m -87.82 126.35 34.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.027 0.441 . . . . 0.0 112.082 -178.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.568 ' HB2' ' CG ' ' A' ' 2' ' ' ARG . 8.7 m-85 -108.01 143.74 27.96 Favored Pre-proline 0 C--O 1.235 0.308 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.727 179.027 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -51.52 -38.38 64.35 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.994 2.463 . . . . 0.0 112.729 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.1 -0.952 . . . . 0.0 110.744 179.894 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 CA-C-O 120.303 -0.165 . . . . 0.0 112.831 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.558 ' HG3' ' HB2' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -73.96 116.93 15.16 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.941 0.4 . . . . 0.0 111.14 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.719 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 31.8 m -100.32 143.91 29.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.032 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.567 ' CG2' ' HB ' ' A' ' 10' ' ' ILE . 52.1 p -68.41 -164.17 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.881 0.372 . . . . 0.0 111.57 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.633 ' N ' ' HD2' ' A' ' 5' ' ' LYS . 1.9 mptp? -111.7 46.84 1.08 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.618 -179.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.6 p -137.65 -177.89 5.0 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.979 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.6 mp -140.47 116.27 7.71 Favored Pre-proline 0 CA--C 1.53 0.2 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.709 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo -71.01 136.52 41.87 Favored 'Cis proline' 0 C--N 1.35 0.609 0 C-N-CA 123.43 -1.488 . . . . 0.0 112.238 -0.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.719 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 30.7 Cg_endo -64.53 136.56 50.87 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.738 2.292 . . . . 0.0 112.215 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.567 ' HB ' ' CG2' ' A' ' 4' ' ' THR . 29.0 mm -78.73 98.66 2.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 179.44 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.523 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 64.1 m -87.61 117.81 26.67 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.057 0.455 . . . . 0.0 111.511 -179.122 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.558 ' HB2' ' HG3' ' A' ' 2' ' ' ARG . 14.2 m-85 -97.19 144.82 28.56 Favored Pre-proline 0 C--O 1.233 0.218 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.847 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -57.99 -23.21 58.97 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 123.288 2.659 . . . . 0.0 113.098 179.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.7 t70 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.56 -0.733 . . . . 0.0 111.213 -179.623 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.233 0 N-CA-C 112.576 -0.209 . . . . 0.0 112.576 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.509 ' O ' ' HA ' ' A' ' 11' ' ' CYS . 8.2 ptm180 -75.18 160.66 30.15 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 110.465 -0.198 . . . . 0.0 110.465 179.632 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.555 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 58.0 m -151.35 140.05 20.76 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.336 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.533 ' CG2' ' HB ' ' A' ' 10' ' ' ILE . 32.2 p -64.96 -174.39 0.14 Allowed 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.964 0.411 . . . . 0.0 111.855 -179.084 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.647 ' N ' ' HD2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -105.69 43.43 1.13 Allowed 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.606 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.9 p -128.69 -178.63 4.67 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.782 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.5 mp -139.5 115.13 8.21 Favored Pre-proline 0 CA--C 1.53 0.189 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.731 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -72.35 137.62 49.73 Favored 'Cis proline' 0 C--N 1.349 0.553 0 C-N-CA 123.638 -1.401 . . . . 0.0 112.335 -0.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.555 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 18.2 Cg_endo -61.58 134.29 50.25 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 122.835 2.357 . . . . 0.0 112.604 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.533 ' HB ' ' CG2' ' A' ' 4' ' ' THR . 27.8 mm -80.21 107.35 12.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 178.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.509 ' HA ' ' O ' ' A' ' 2' ' ' ARG . 86.4 m -92.86 133.79 35.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.125 0.488 . . . . 0.0 112.194 -178.61 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.476 ' HB2' ' CG ' ' A' ' 2' ' ' ARG . 4.4 m-85 -117.97 153.58 51.15 Favored Pre-proline 0 C--O 1.236 0.348 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.955 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -55.16 -35.42 90.74 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 123.273 2.649 . . . . 0.0 112.798 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.549 -0.739 . . . . 0.0 111.56 -179.593 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.25 0 CA-C-O 120.342 -0.143 . . . . 0.0 112.864 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.553 ' HD2' ' HB2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -84.01 152.43 24.43 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 110.216 -0.291 . . . . 0.0 110.216 179.819 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.599 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 56.3 m -146.81 140.35 25.72 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.727 0.298 . . . . 0.0 111.123 -179.554 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.486 ' CG2' ' HB ' ' A' ' 10' ' ' ILE . 53.8 p -62.03 161.14 11.26 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.963 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.91 32.97 0.52 Allowed 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 179.551 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.7 p -115.59 -176.44 2.93 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.762 0.315 . . . . 0.0 110.858 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.7 mp -141.68 116.74 6.98 Favored Pre-proline 0 CA--C 1.53 0.197 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.625 179.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_exo -71.5 137.06 45.29 Favored 'Cis proline' 0 C--N 1.349 0.599 0 C-N-CA 123.549 -1.438 . . . . 0.0 112.267 -0.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.599 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 22.2 Cg_endo -62.71 131.86 35.12 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.754 2.303 . . . . 0.0 112.476 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.486 ' HB ' ' CG2' ' A' ' 4' ' ' THR . 21.1 mm -79.79 105.01 8.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.469 ' HA ' ' O ' ' A' ' 2' ' ' ARG . 73.4 m -90.41 135.66 33.54 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -178.363 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.553 ' HB2' ' HD2' ' A' ' 2' ' ' ARG . 7.2 m-85 -123.51 152.52 65.04 Favored Pre-proline 0 C--O 1.236 0.392 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.497 179.594 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -61.82 -6.59 7.82 Favored 'Trans proline' 0 CA--C 1.536 0.613 0 C-N-CA 123.189 2.593 . . . . 0.0 113.702 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.444 ' HB3' ' HG2' ' A' ' 2' ' ' ARG . 38.1 t70 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.108 -0.948 . . . . 0.0 111.128 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.594 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 59.1 m . . . . . 0 N--CA 1.464 0.273 0 CA-C-O 120.676 0.274 . . . . 0.0 111.27 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.641 HG23 ' HB ' ' A' ' 10' ' ' ILE . 67.7 p -67.83 161.26 26.64 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.132 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.457 ' H ' ' CD ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -81.04 27.66 0.39 Allowed 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 116.119 -0.492 . . . . 0.0 112.044 179.751 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.757 ' C ' HD12 ' A' ' 7' ' ' ILE . 91.1 p -109.69 -177.35 3.25 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.756 0.312 . . . . 0.0 110.998 179.495 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.757 HD12 ' C ' ' A' ' 6' ' ' SER . 3.7 mp -141.38 115.9 7.03 Favored Pre-proline 0 CA--C 1.531 0.215 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.551 179.606 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_exo -70.91 138.93 54.95 Favored 'Cis proline' 0 C--N 1.349 0.587 0 C-N-CA 123.517 -1.451 . . . . 0.0 112.271 -0.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.594 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 26.7 Cg_endo -62.68 133.93 44.74 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.799 2.333 . . . . 0.0 112.336 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.641 ' HB ' HG23 ' A' ' 4' ' ' THR . 28.1 mm -78.8 98.13 2.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 179.09 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 73.9 m . . . . . 0 C--N 1.331 -0.216 0 CA-C-O 121.222 0.534 . . . . 0.0 112.113 -178.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.617 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 57.6 m . . . . . 0 N--CA 1.467 0.377 0 CA-C-O 120.693 0.282 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.559 HG23 ' HB ' ' A' ' 10' ' ' ILE . 47.8 p -66.64 160.91 24.45 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.41 ' H ' ' HD2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -81.78 26.2 0.51 Allowed 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 179.776 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.755 ' C ' HD12 ' A' ' 7' ' ' ILE . 89.7 p -105.65 -176.96 3.23 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.77 0.319 . . . . 0.0 110.939 179.381 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.755 HD12 ' C ' ' A' ' 6' ' ' SER . 3.7 mp -141.57 115.25 6.81 Favored Pre-proline 0 CA--C 1.53 0.195 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.698 179.71 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_exo -70.66 139.96 60.42 Favored 'Cis proline' 0 C--N 1.349 0.604 0 C-N-CA 123.647 -1.397 . . . . 0.0 112.209 -0.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.617 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 25.0 Cg_endo -62.88 132.17 36.03 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.767 2.311 . . . . 0.0 112.495 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.559 ' HB ' HG23 ' A' ' 4' ' ' THR . 17.1 mm -79.52 102.99 5.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.491 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 74.1 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.104 0.478 . . . . 0.0 112.146 -178.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.565 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 59.5 m . . . . . 0 N--CA 1.464 0.255 0 CA-C-O 120.672 0.273 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.612 HG23 ' HB ' ' A' ' 10' ' ' ILE . 70.4 p -67.47 -165.34 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.226 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.515 ' H ' ' HD3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -117.14 45.43 1.88 Allowed 'General case' 0 C--O 1.233 0.237 0 CA-C-O 121.246 0.546 . . . . 0.0 110.419 179.184 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.879 ' O ' HD13 ' A' ' 7' ' ' ILE . 79.5 p -133.41 176.31 8.64 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.184 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.879 HD13 ' O ' ' A' ' 6' ' ' SER . 10.3 mm -129.28 114.46 18.44 Favored Pre-proline 0 CA--C 1.53 0.197 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.037 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -76.49 142.54 73.43 Favored 'Cis proline' 0 C--N 1.349 0.56 0 C-N-CA 123.569 -1.43 . . . . 0.0 111.972 -0.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.565 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 27.1 Cg_endo -63.82 135.17 47.0 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.639 2.226 . . . . 0.0 112.483 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.612 ' HB ' HG23 ' A' ' 4' ' ' THR . 32.2 mm -79.19 100.96 4.16 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 85.9 m . . . . . 0 C--O 1.233 0.214 0 CA-C-O 121.097 0.475 . . . . 0.0 111.716 -178.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.54 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 61.6 m . . . . . 0 N--CA 1.466 0.336 0 CA-C-O 120.672 0.272 . . . . 0.0 110.667 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.656 HG23 ' HB ' ' A' ' 10' ' ' ILE . 55.9 p -67.19 -160.61 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.704 -179.431 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.656 ' N ' ' HD2' ' A' ' 5' ' ' LYS . 5.5 mptt -116.94 44.77 1.99 Allowed 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 121.003 0.43 . . . . 0.0 110.607 -179.348 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.748 ' C ' HD12 ' A' ' 7' ' ' ILE . 81.0 p -133.17 -177.89 4.72 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.0 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.748 HD12 ' C ' ' A' ' 6' ' ' SER . 3.6 mp -140.43 115.44 7.59 Favored Pre-proline 0 CA--C 1.531 0.227 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.678 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.403 ' HA ' ' HA ' ' A' ' 7' ' ' ILE . 9.1 Cg_exo -71.06 137.96 49.81 Favored 'Cis proline' 0 C--N 1.349 0.593 0 C-N-CA 123.447 -1.48 . . . . 0.0 112.198 -0.295 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.54 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 26.3 Cg_endo -62.39 136.99 62.53 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.833 2.356 . . . . 0.0 112.261 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.656 ' HB ' HG23 ' A' ' 4' ' ' THR . 33.8 mm -78.34 96.84 2.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.108 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 82.6 m . . . . . 0 N--CA 1.455 -0.201 0 CA-C-O 121.029 0.443 . . . . 0.0 111.905 -178.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.559 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 64.5 m . . . . . 0 N--CA 1.468 0.465 0 CA-C-O 120.513 0.196 . . . . 0.0 110.499 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.619 HG23 ' HB ' ' A' ' 10' ' ' ILE . 69.3 p -67.89 -169.21 0.12 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.849 0.357 . . . . 0.0 111.502 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.633 ' N ' ' HD2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -109.55 45.7 1.06 Allowed 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.713 -179.767 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.74 ' C ' HD12 ' A' ' 7' ' ' ILE . 79.3 p -134.47 -178.73 5.19 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.037 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.74 HD12 ' C ' ' A' ' 6' ' ' SER . 3.6 mp -140.46 116.06 7.68 Favored Pre-proline 0 CA--C 1.531 0.224 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.641 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -70.76 136.78 42.65 Favored 'Cis proline' 0 C--N 1.349 0.568 0 C-N-CA 123.477 -1.468 . . . . 0.0 112.196 -0.431 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.559 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 26.5 Cg_endo -63.11 136.29 55.45 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.751 2.301 . . . . 0.0 112.208 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.619 ' HB ' HG23 ' A' ' 4' ' ' THR . 25.8 mm -78.42 96.56 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.5 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 73.5 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.305 -178.319 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.543 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 61.8 m . . . . . 0 N--CA 1.466 0.346 0 CA-C-O 120.563 0.221 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.553 HG23 ' HB ' ' A' ' 10' ' ' ILE . 55.5 p -67.82 162.84 23.12 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.112 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.94 11.82 3.1 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 179.183 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.765 ' C ' HD12 ' A' ' 7' ' ' ILE . 92.4 p -91.5 -178.45 5.1 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.91 0.386 . . . . 0.0 111.109 179.442 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.765 HD12 ' C ' ' A' ' 6' ' ' SER . 3.6 mp -143.29 116.7 6.05 Favored Pre-proline 0 CA--C 1.531 0.228 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.429 179.506 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -68.66 138.04 44.05 Favored 'Cis proline' 0 C--N 1.349 0.58 0 C-N-CA 123.528 -1.447 . . . . 0.0 112.208 -0.433 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.543 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 20.9 Cg_endo -61.46 132.6 41.57 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.813 2.342 . . . . 0.0 112.521 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.553 ' HB ' HG23 ' A' ' 4' ' ' THR . 18.7 mm -79.24 100.1 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 178.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.495 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 72.3 m . . . . . 0 C--N 1.329 -0.306 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -178.506 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.653 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 54.3 m . . . . . 0 C--O 1.233 0.206 0 CA-C-O 120.617 0.246 . . . . 0.0 110.718 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.63 HG23 ' HB ' ' A' ' 10' ' ' ILE . 49.0 p -65.44 179.05 0.83 Allowed 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.991 0.424 . . . . 0.0 111.545 -179.597 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp -99.83 40.23 1.25 Allowed 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.485 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.678 ' C ' HD12 ' A' ' 7' ' ' ILE . 89.6 p -123.85 -176.2 3.41 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.804 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.678 HD12 ' C ' ' A' ' 6' ' ' SER . 3.3 mp -139.72 114.16 7.9 Favored Pre-proline 0 CA--C 1.53 0.208 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.698 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -73.65 141.14 70.87 Favored 'Cis proline' 0 C--N 1.348 0.52 0 C-N-CA 123.683 -1.382 . . . . 0.0 112.299 -0.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.653 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 25.9 Cg_endo -62.77 134.26 46.1 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.846 2.364 . . . . 0.0 112.454 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.63 ' HB ' HG23 ' A' ' 4' ' ' THR . 27.7 mm -81.57 99.24 4.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.225 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 64.0 m . . . . . 0 C--N 1.331 -0.229 0 CA-C-O 120.998 0.428 . . . . 0.0 111.286 -179.337 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.589 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 58.8 m . . . . . 0 N--CA 1.467 0.377 0 CA-C-O 120.57 0.224 . . . . 0.0 110.69 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.608 HG23 ' HB ' ' A' ' 10' ' ' ILE . 59.8 p -67.84 -160.51 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.596 -179.646 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.662 ' N ' ' HD2' ' A' ' 5' ' ' LYS . 5.5 mptt -117.39 45.92 1.81 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.973 0.416 . . . . 0.0 110.633 -179.332 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.738 ' C ' HD12 ' A' ' 7' ' ' ILE . 79.1 p -135.84 -178.26 5.05 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.044 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.738 HD12 ' C ' ' A' ' 6' ' ' SER . 3.6 mp -140.43 116.01 7.69 Favored Pre-proline 0 C--O 1.233 0.192 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.685 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -70.71 136.57 41.46 Favored 'Cis proline' 0 C--N 1.349 0.555 0 C-N-CA 123.469 -1.471 . . . . 0.0 112.244 -0.457 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.589 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 26.7 Cg_endo -63.21 136.9 58.26 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.751 2.3 . . . . 0.0 112.227 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.608 ' HB ' HG23 ' A' ' 4' ' ' THR . 23.0 mm -78.68 97.8 2.44 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 178.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.508 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 76.6 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 121.128 0.49 . . . . 0.0 112.268 -178.319 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.676 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 41.9 m . . . . . 0 N--CA 1.464 0.227 0 CA-C-O 120.645 0.26 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.656 HG23 ' HB ' ' A' ' 10' ' ' ILE . 56.9 p -63.18 162.09 12.46 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.982 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.586 ' H ' ' HD3' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -87.12 38.83 0.83 Allowed 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 179.266 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.737 ' C ' HD12 ' A' ' 7' ' ' ILE . 88.9 p -124.94 -174.24 2.99 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.848 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.737 HD12 ' C ' ' A' ' 6' ' ' SER . 3.7 mp -140.27 116.92 7.97 Favored Pre-proline 0 CA--C 1.531 0.236 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.627 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -73.91 137.16 48.33 Favored 'Cis proline' 0 C--N 1.35 0.619 0 C-N-CA 123.612 -1.412 . . . . 0.0 112.262 -0.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.676 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 23.5 Cg_endo -62.87 129.92 27.62 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.673 2.249 . . . . 0.0 112.38 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.656 ' HB ' HG23 ' A' ' 4' ' ' THR . 35.1 mm -80.16 103.28 6.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 179.211 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.539 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 69.1 m . . . . . 0 C--N 1.331 -0.235 0 CA-C-O 120.969 0.414 . . . . 0.0 111.388 -179.292 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.641 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 58.2 m . . . . . 0 N--CA 1.463 0.189 0 CA-C-O 120.624 0.249 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.617 HG23 ' HB ' ' A' ' 10' ' ' ILE . 65.6 p -68.39 166.09 17.42 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.985 0.421 . . . . 0.0 111.372 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.22 -5.44 51.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.081 179.756 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.719 ' C ' HD12 ' A' ' 7' ' ' ILE . 99.3 p -77.54 -179.24 5.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.011 0.434 . . . . 0.0 111.717 -179.391 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.719 HD12 ' C ' ' A' ' 6' ' ' SER . 3.5 mp -139.87 116.19 8.14 Favored Pre-proline 0 CA--C 1.53 0.209 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.628 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_exo -71.39 139.85 61.32 Favored 'Cis proline' 0 C--N 1.349 0.577 0 C-N-CA 123.45 -1.479 . . . . 0.0 112.284 -0.511 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.641 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 21.9 Cg_endo -61.55 133.56 46.33 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.974 2.449 . . . . 0.0 111.85 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.617 ' HB ' HG23 ' A' ' 4' ' ' THR . 29.7 mm -79.17 100.62 3.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 179.549 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 86.1 m . . . . . 0 C--N 1.33 -0.247 0 CA-C-O 120.959 0.409 . . . . 0.0 111.208 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.506 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 67.6 m . . . . . 0 N--CA 1.466 0.345 0 CA-C-O 120.676 0.274 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.3 p -66.39 162.11 21.14 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.357 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.546 ' H ' ' HD2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -82.88 26.95 0.56 Allowed 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.044 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.747 ' C ' HD12 ' A' ' 7' ' ' ILE . 85.0 p -104.69 -178.64 3.71 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.775 0.322 . . . . 0.0 110.832 179.264 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.747 HD12 ' C ' ' A' ' 6' ' ' SER . 3.6 mp -140.49 114.72 7.43 Favored Pre-proline 0 CA--C 1.53 0.204 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.734 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -72.16 140.35 65.43 Favored 'Cis proline' 0 C--N 1.349 0.572 0 C-N-CA 123.693 -1.378 . . . . 0.0 112.222 -0.661 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.506 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 22.0 Cg_endo -62.87 131.06 31.44 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 122.611 2.208 . . . . 0.0 112.761 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.502 HD12 ' N ' ' A' ' 10' ' ' ILE . 1.2 mp -81.08 105.75 11.39 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.367 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 178.334 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 70.5 m . . . . . 0 C--N 1.323 -0.576 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.092 -178.533 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.544 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 60.9 m . . . . . 0 N--CA 1.465 0.297 0 CA-C-O 120.66 0.267 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.62 HG23 ' HB ' ' A' ' 10' ' ' ILE . 60.6 p -66.53 159.38 27.45 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.804 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.445 ' H ' ' HD2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -82.48 30.84 0.41 Allowed 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.8 179.863 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.743 ' C ' HD12 ' A' ' 7' ' ' ILE . 97.2 p -112.76 -175.75 2.75 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.822 0.344 . . . . 0.0 110.877 179.469 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.743 HD12 ' C ' ' A' ' 6' ' ' SER . 3.7 mp -141.5 116.4 7.04 Favored Pre-proline 0 CA--C 1.53 0.198 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.548 179.497 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -72.22 138.09 52.28 Favored 'Cis proline' 0 C--N 1.35 0.612 0 C-N-CA 123.531 -1.446 . . . . 0.0 112.224 -0.513 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.544 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 25.1 Cg_endo -62.7 132.87 39.47 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.881 2.388 . . . . 0.0 112.362 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.62 ' HB ' HG23 ' A' ' 4' ' ' THR . 30.5 mm -79.17 99.56 3.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 178.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.8 m . . . . . 0 C--N 1.33 -0.252 0 CA-C-O 121.179 0.514 . . . . 0.0 112.071 -178.716 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.587 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 62.8 m . . . . . 0 N--CA 1.465 0.281 0 CA-C-O 120.542 0.21 . . . . 0.0 110.609 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.616 HG23 ' HB ' ' A' ' 10' ' ' ILE . 66.5 p -62.75 162.12 11.38 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.418 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.56 ' C ' ' HD2' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -84.98 32.01 0.54 Allowed 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.52 178.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.702 ' C ' HD12 ' A' ' 7' ' ' ILE . 89.6 p -115.28 -172.69 2.18 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.761 0.315 . . . . 0.0 110.863 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.702 HD12 ' C ' ' A' ' 6' ' ' SER . 3.9 mp -143.04 116.33 6.11 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.446 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -72.95 138.92 58.29 Favored 'Cis proline' 0 C--N 1.349 0.57 0 C-N-CA 123.548 -1.438 . . . . 0.0 112.058 -0.432 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.587 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 22.9 Cg_endo -61.88 130.58 31.59 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.688 2.258 . . . . 0.0 112.181 179.756 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.616 ' HB ' HG23 ' A' ' 4' ' ' THR . 29.3 mm -79.44 100.23 3.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.494 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 79.7 m . . . . . 0 CA--C 1.531 0.213 0 CA-C-O 121.011 0.434 . . . . 0.0 111.596 -179.096 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.625 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 59.4 m . . . . . 0 N--CA 1.465 0.293 0 CA-C-O 120.531 0.205 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.668 HG23 ' HB ' ' A' ' 10' ' ' ILE . 72.7 p -67.35 -175.69 0.51 Allowed 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.924 0.392 . . . . 0.0 111.426 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.704 ' HD3' ' N ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -103.29 43.32 1.09 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.15 0.5 . . . . 0.0 110.656 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.758 ' C ' HD12 ' A' ' 7' ' ' ILE . 81.3 p -130.82 -179.09 5.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.758 HD12 ' C ' ' A' ' 6' ' ' SER . 3.6 mp -140.63 116.28 7.59 Favored Pre-proline 0 C--O 1.233 0.212 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.649 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -70.82 136.98 43.78 Favored 'Cis proline' 0 C--N 1.349 0.573 0 C-N-CA 123.398 -1.501 . . . . 0.0 112.229 -0.404 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.625 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 28.1 Cg_endo -63.41 136.15 53.49 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.802 2.335 . . . . 0.0 112.126 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.668 ' HB ' HG23 ' A' ' 4' ' ' THR . 33.9 mm -78.43 97.63 2.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.154 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 76.8 m . . . . . 0 C--N 1.331 -0.218 0 CA-C-O 121.141 0.496 . . . . 0.0 111.813 -178.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.601 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 60.4 m . . . . . 0 N--CA 1.465 0.305 0 CA-C-O 120.579 0.228 . . . . 0.0 110.808 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.671 HG23 ' HB ' ' A' ' 10' ' ' ILE . 72.7 p -67.14 -175.78 0.48 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.931 0.396 . . . . 0.0 111.483 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.712 ' HD3' ' N ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -103.29 43.27 1.09 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.669 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.76 ' C ' HD12 ' A' ' 7' ' ' ILE . 80.6 p -130.38 -179.48 5.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.003 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.76 HD12 ' C ' ' A' ' 6' ' ' SER . 3.6 mp -140.8 116.32 7.47 Favored Pre-proline 0 C--O 1.233 0.218 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.613 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -70.28 137.01 42.75 Favored 'Cis proline' 0 C--N 1.349 0.565 0 C-N-CA 123.461 -1.475 . . . . 0.0 112.213 -0.447 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.601 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 27.7 Cg_endo -63.1 136.1 54.47 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.769 2.313 . . . . 0.0 112.211 179.726 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.671 ' HB ' HG23 ' A' ' 4' ' ' THR . 32.7 mm -78.36 96.64 1.99 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.049 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 74.0 m . . . . . 0 C--N 1.331 -0.228 0 CA-C-O 121.085 0.469 . . . . 0.0 111.916 -178.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.658 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 46.3 m . . . . . 0 C--O 1.233 0.215 0 CA-C-O 120.577 0.227 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.667 HG23 ' HB ' ' A' ' 10' ' ' ILE . 43.0 p -71.11 -167.43 0.22 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.913 0.387 . . . . 0.0 111.535 -179.628 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.614 ' N ' ' HD2' ' A' ' 5' ' ' LYS . 1.2 mptp? -107.15 38.96 1.98 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.683 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.762 ' C ' HD12 ' A' ' 7' ' ' ILE . 81.0 p -123.54 -178.46 4.02 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.812 0.339 . . . . 0.0 111.159 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.762 HD12 ' C ' ' A' ' 6' ' ' SER . 3.6 mp -140.69 114.58 7.27 Favored Pre-proline 0 C--O 1.233 0.2 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.758 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -70.19 140.26 60.81 Favored 'Cis proline' 0 C--N 1.348 0.518 0 C-N-CA 123.469 -1.471 . . . . 0.0 112.223 -0.532 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.658 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 25.6 Cg_endo -61.89 135.26 54.61 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.766 2.311 . . . . 0.0 112.366 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.667 ' HB ' HG23 ' A' ' 4' ' ' THR . 25.1 mm -78.9 97.31 2.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.085 179.427 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.467 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 63.0 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.16 -179.331 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.517 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 78.3 m . . . . . 0 N--CA 1.467 0.392 0 N-CA-C 110.353 -0.239 . . . . 0.0 110.353 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.581 HG23 ' HB ' ' A' ' 10' ' ' ILE . 48.6 p -65.47 165.78 11.47 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.866 179.719 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.564 ' H ' ' HD3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -89.62 29.87 1.09 Allowed 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.425 179.445 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.759 ' C ' HD12 ' A' ' 7' ' ' ILE . 98.2 p -111.47 -175.41 2.69 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.885 179.578 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.759 HD12 ' C ' ' A' ' 6' ' ' SER . 3.6 mp -140.86 116.26 7.42 Favored Pre-proline 0 CA--C 1.531 0.23 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.952 179.747 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -72.63 139.25 59.7 Favored 'Cis proline' 0 C--N 1.349 0.592 0 C-N-CA 123.487 -1.464 . . . . 0.0 112.079 -0.639 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.49 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 20.5 Cg_endo -61.73 131.23 34.48 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.649 2.233 . . . . 0.0 112.46 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.581 ' HB ' HG23 ' A' ' 4' ' ' THR . 30.1 mm -79.23 98.94 3.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 178.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.517 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 75.3 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 121.027 0.441 . . . . 0.0 112.082 -178.684 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.755 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 31.8 m . . . . . 0 N--CA 1.463 0.213 0 CA-C-O 120.63 0.252 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.672 HG23 ' HB ' ' A' ' 10' ' ' ILE . 52.1 p -68.41 -164.17 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.881 0.372 . . . . 0.0 111.57 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.651 ' N ' ' HD2' ' A' ' 5' ' ' LYS . 1.9 mptp? -111.7 46.84 1.08 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.618 -179.563 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.765 ' C ' HD12 ' A' ' 7' ' ' ILE . 80.6 p -137.65 -177.89 5.0 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.979 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.765 HD12 ' C ' ' A' ' 6' ' ' SER . 3.6 mp -140.47 116.27 7.71 Favored Pre-proline 0 CA--C 1.53 0.2 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.709 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo -71.01 136.52 41.87 Favored 'Cis proline' 0 C--N 1.35 0.609 0 C-N-CA 123.43 -1.488 . . . . 0.0 112.238 -0.505 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.755 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 30.7 Cg_endo -64.53 136.56 50.87 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.738 2.292 . . . . 0.0 112.215 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.672 ' HB ' HG23 ' A' ' 4' ' ' THR . 29.0 mm -78.73 98.66 2.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 179.44 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.529 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 64.1 m . . . . . 0 C--N 1.332 -0.188 0 CA-C-O 121.057 0.455 . . . . 0.0 111.511 -179.122 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.584 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 58.0 m . . . . . 0 N--CA 1.466 0.346 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.588 HG23 ' HB ' ' A' ' 10' ' ' ILE . 32.2 p -64.96 -174.39 0.14 Allowed 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.964 0.411 . . . . 0.0 111.855 -179.084 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.666 ' N ' ' HD2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -105.69 43.43 1.13 Allowed 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.606 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.775 ' C ' HD12 ' A' ' 7' ' ' ILE . 79.9 p -128.69 -178.63 4.67 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.782 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.775 HD12 ' C ' ' A' ' 6' ' ' SER . 3.5 mp -139.5 115.13 8.21 Favored Pre-proline 0 CA--C 1.53 0.189 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.731 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -72.35 137.62 49.73 Favored 'Cis proline' 0 C--N 1.349 0.553 0 C-N-CA 123.638 -1.401 . . . . 0.0 112.335 -0.462 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.584 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 18.2 Cg_endo -61.58 134.29 50.25 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 122.835 2.357 . . . . 0.0 112.604 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.588 ' HB ' HG23 ' A' ' 4' ' ' THR . 27.8 mm -80.21 107.35 12.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 178.782 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.493 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 86.4 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 121.125 0.488 . . . . 0.0 112.194 -178.61 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.63 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 56.3 m . . . . . 0 N--CA 1.466 0.347 0 CA-C-O 120.727 0.298 . . . . 0.0 111.123 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.574 HG23 ' HB ' ' A' ' 10' ' ' ILE . 53.8 p -62.03 161.14 11.26 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.963 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.413 ' HD2' ' C ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -84.91 32.97 0.52 Allowed 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 179.551 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.752 ' C ' HD12 ' A' ' 7' ' ' ILE . 93.7 p -115.59 -176.44 2.93 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.762 0.315 . . . . 0.0 110.858 179.448 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.752 HD12 ' C ' ' A' ' 6' ' ' SER . 3.7 mp -141.68 116.74 6.98 Favored Pre-proline 0 CA--C 1.53 0.197 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.625 179.603 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_exo -71.5 137.06 45.29 Favored 'Cis proline' 0 C--N 1.349 0.599 0 C-N-CA 123.549 -1.438 . . . . 0.0 112.267 -0.447 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.63 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 22.2 Cg_endo -62.71 131.86 35.12 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.754 2.303 . . . . 0.0 112.476 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.574 ' HB ' HG23 ' A' ' 4' ' ' THR . 21.1 mm -79.79 105.01 8.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.748 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 73.4 m . . . . . 0 C--N 1.328 -0.343 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -178.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.284 0 N-CA-C 112.606 -0.198 . . . . 0.0 112.606 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.563 ' HG2' ' HB2' ' A' ' 12' ' ' PHE . 38.4 ptt180 -76.66 131.3 38.75 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.464 0.173 . . . . 0.0 110.692 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.594 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 59.1 m -117.22 136.12 53.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.676 0.274 . . . . 0.0 111.27 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.641 HG23 ' HB ' ' A' ' 10' ' ' ILE . 67.7 p -67.83 161.26 26.64 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.132 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.457 ' H ' ' CD ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -81.04 27.66 0.39 Allowed 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 116.119 -0.492 . . . . 0.0 112.044 179.751 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.757 ' C ' HD12 ' A' ' 7' ' ' ILE . 91.1 p -109.69 -177.35 3.25 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.756 0.312 . . . . 0.0 110.998 179.495 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.757 HD12 ' C ' ' A' ' 6' ' ' SER . 3.7 mp -141.38 115.9 7.03 Favored Pre-proline 0 CA--C 1.531 0.215 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.551 179.606 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_exo -70.91 138.93 54.95 Favored 'Cis proline' 0 C--N 1.349 0.587 0 C-N-CA 123.517 -1.451 . . . . 0.0 112.271 -0.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.594 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 26.7 Cg_endo -62.68 133.93 44.74 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.799 2.333 . . . . 0.0 112.336 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.641 ' HB ' HG23 ' A' ' 4' ' ' THR . 28.1 mm -78.8 98.13 2.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 179.09 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.444 ' HA ' ' O ' ' A' ' 2' ' ' ARG . 73.9 m -88.76 116.67 27.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.222 0.534 . . . . 0.0 112.113 -178.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.563 ' HB2' ' HG2' ' A' ' 2' ' ' ARG . 5.6 m-85 -94.44 145.15 29.17 Favored Pre-proline 0 C--O 1.235 0.333 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.162 179.016 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -50.93 -34.14 44.69 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 123.256 2.637 . . . . 0.0 113.057 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 37.0 t70 . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.108 -0.949 . . . . 0.0 110.82 -179.991 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.317 0 CA-C-O 120.317 -0.157 . . . . 0.0 112.846 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.52 ' CG ' ' HB2' ' A' ' 12' ' ' PHE . 17.0 ptm180 -76.28 159.44 30.59 Favored 'General case' 0 N--CA 1.462 0.143 0 N-CA-C 110.37 -0.233 . . . . 0.0 110.37 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.617 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 57.6 m -154.61 138.58 16.36 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.159 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.559 HG23 ' HB ' ' A' ' 10' ' ' ILE . 47.8 p -66.64 160.91 24.45 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.41 ' H ' ' HD2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -81.78 26.2 0.51 Allowed 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 179.776 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.755 ' C ' HD12 ' A' ' 7' ' ' ILE . 89.7 p -105.65 -176.96 3.23 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.77 0.319 . . . . 0.0 110.939 179.381 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.755 HD12 ' C ' ' A' ' 6' ' ' SER . 3.7 mp -141.57 115.25 6.81 Favored Pre-proline 0 CA--C 1.53 0.195 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.698 179.71 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_exo -70.66 139.96 60.42 Favored 'Cis proline' 0 C--N 1.349 0.604 0 C-N-CA 123.647 -1.397 . . . . 0.0 112.209 -0.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.617 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 25.0 Cg_endo -62.88 132.17 36.03 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.767 2.311 . . . . 0.0 112.495 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.559 ' HB ' HG23 ' A' ' 4' ' ' THR . 17.1 mm -79.52 102.99 5.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.51 ' HA ' ' O ' ' A' ' 2' ' ' ARG . 74.1 m -89.12 134.67 33.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.104 0.478 . . . . 0.0 112.146 -178.515 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.52 ' HB2' ' CG ' ' A' ' 2' ' ' ARG . 17.0 m-85 -121.78 155.88 59.71 Favored Pre-proline 0 C--O 1.236 0.362 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.056 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.431 ' HD2' ' HB3' ' A' ' 12' ' ' PHE . 11.3 Cg_endo -55.34 -28.26 62.01 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 123.377 2.718 . . . . 0.0 112.806 179.163 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.501 ' HB2' ' CD ' ' A' ' 2' ' ' ARG . 50.7 m-20 . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.36 -0.829 . . . . 0.0 111.851 -179.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 CA-C-O 120.31 -0.161 . . . . 0.0 112.951 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.512 ' HG2' ' HB2' ' A' ' 12' ' ' PHE . 38.1 ptt180 -77.65 130.1 36.42 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.769 0.285 . . . . 0.0 110.519 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.565 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 59.5 m -116.62 142.36 46.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.672 0.273 . . . . 0.0 111.14 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.612 HG23 ' HB ' ' A' ' 10' ' ' ILE . 70.4 p -67.47 -165.34 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.226 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.515 ' H ' ' HD3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -117.14 45.43 1.88 Allowed 'General case' 0 C--O 1.233 0.237 0 CA-C-O 121.246 0.546 . . . . 0.0 110.419 179.184 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.879 ' O ' HD13 ' A' ' 7' ' ' ILE . 79.5 p -133.41 176.31 8.64 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.184 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.879 HD13 ' O ' ' A' ' 6' ' ' SER . 10.3 mm -129.28 114.46 18.44 Favored Pre-proline 0 CA--C 1.53 0.197 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.037 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -76.49 142.54 73.43 Favored 'Cis proline' 0 C--N 1.349 0.56 0 C-N-CA 123.569 -1.43 . . . . 0.0 111.972 -0.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.565 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 27.1 Cg_endo -63.82 135.17 47.0 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.639 2.226 . . . . 0.0 112.483 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.612 ' HB ' HG23 ' A' ' 4' ' ' THR . 32.2 mm -79.19 100.96 4.16 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.492 ' HA ' ' O ' ' A' ' 2' ' ' ARG . 85.9 m -91.82 120.11 32.23 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.097 0.475 . . . . 0.0 111.716 -178.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.512 ' HB2' ' HG2' ' A' ' 2' ' ' ARG . 5.0 m-85 -96.63 145.03 28.86 Favored Pre-proline 0 C--O 1.236 0.363 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.68 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -56.14 -26.63 61.27 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 123.206 2.604 . . . . 0.0 112.915 179.339 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.0 t70 . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.122 -0.942 . . . . 0.0 111.007 -179.892 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.215 0 N-CA-C 112.546 -0.222 . . . . 0.0 112.546 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.624 ' HG2' ' HB2' ' A' ' 12' ' ' PHE . 8.9 ptp180 -74.69 132.91 42.06 Favored 'General case' 0 C--O 1.222 -0.382 0 N-CA-C 110.453 -0.202 . . . . 0.0 110.453 179.6 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.54 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 61.6 m -118.26 137.9 52.72 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.672 0.272 . . . . 0.0 110.667 179.508 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.656 HG23 ' HB ' ' A' ' 10' ' ' ILE . 55.9 p -67.19 -160.61 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.704 -179.431 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.656 ' N ' ' HD2' ' A' ' 5' ' ' LYS . 5.5 mptt -116.94 44.77 1.99 Allowed 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 121.003 0.43 . . . . 0.0 110.607 -179.348 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.748 ' C ' HD12 ' A' ' 7' ' ' ILE . 81.0 p -133.17 -177.89 4.72 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.0 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.748 HD12 ' C ' ' A' ' 6' ' ' SER . 3.6 mp -140.43 115.44 7.59 Favored Pre-proline 0 CA--C 1.531 0.227 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.678 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.403 ' HA ' ' HA ' ' A' ' 7' ' ' ILE . 9.1 Cg_exo -71.06 137.96 49.81 Favored 'Cis proline' 0 C--N 1.349 0.593 0 C-N-CA 123.447 -1.48 . . . . 0.0 112.198 -0.295 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.54 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 26.3 Cg_endo -62.39 136.99 62.53 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.833 2.356 . . . . 0.0 112.261 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.656 ' HB ' HG23 ' A' ' 4' ' ' THR . 33.8 mm -78.34 96.84 2.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.108 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.577 ' HA ' ' O ' ' A' ' 2' ' ' ARG . 82.6 m -91.41 115.57 28.14 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 121.029 0.443 . . . . 0.0 111.905 -178.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.624 ' HB2' ' HG2' ' A' ' 2' ' ' ARG . 4.8 m-85 -89.84 143.19 29.79 Favored Pre-proline 0 C--O 1.237 0.402 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.095 179.211 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -49.04 -34.28 29.12 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 123.259 2.64 . . . . 0.0 113.022 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.9 t70 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.469 -0.777 . . . . 0.0 110.586 179.924 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 CA-C-O 120.362 -0.132 . . . . 0.0 112.874 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.582 ' CD ' ' HB3' ' A' ' 14' ' ' ASP . 17.4 ptm180 -83.41 159.21 21.84 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.715 0.293 . . . . 0.0 111.088 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.559 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 64.5 m -153.57 141.47 20.18 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.499 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.619 HG23 ' HB ' ' A' ' 10' ' ' ILE . 69.3 p -67.89 -169.21 0.12 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.849 0.357 . . . . 0.0 111.502 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.633 ' N ' ' HD2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -109.55 45.7 1.06 Allowed 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.713 -179.767 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.74 ' C ' HD12 ' A' ' 7' ' ' ILE . 79.3 p -134.47 -178.73 5.19 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.037 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.74 HD12 ' C ' ' A' ' 6' ' ' SER . 3.6 mp -140.46 116.06 7.68 Favored Pre-proline 0 CA--C 1.531 0.224 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.641 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -70.76 136.78 42.65 Favored 'Cis proline' 0 C--N 1.349 0.568 0 C-N-CA 123.477 -1.468 . . . . 0.0 112.196 -0.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.559 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 26.5 Cg_endo -63.11 136.29 55.45 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.751 2.301 . . . . 0.0 112.208 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.619 ' HB ' HG23 ' A' ' 4' ' ' THR . 25.8 mm -78.42 96.56 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.5 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 73.5 m -88.98 129.51 35.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.305 -178.319 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.565 ' HB2' ' CG ' ' A' ' 2' ' ' ARG . 12.7 m-85 -112.43 153.59 44.81 Favored Pre-proline 0 C--O 1.235 0.33 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.894 179.018 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -73.02 32.31 0.3 Allowed 'Trans proline' 0 N--CA 1.478 0.591 0 C-N-CA 123.133 2.555 . . . . 0.0 114.076 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.582 ' HB3' ' CD ' ' A' ' 2' ' ' ARG . 36.1 t70 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.14 -0.934 . . . . 0.0 111.122 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.237 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.485 ' CG ' ' HB2' ' A' ' 12' ' ' PHE . 7.0 ptm180 -82.37 158.83 23.2 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 110.37 -0.233 . . . . 0.0 110.37 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.543 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 61.8 m -153.59 138.31 17.01 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.978 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.553 HG23 ' HB ' ' A' ' 10' ' ' ILE . 55.5 p -67.82 162.84 23.12 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.112 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.94 11.82 3.1 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 179.183 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.765 ' C ' HD12 ' A' ' 7' ' ' ILE . 92.4 p -91.5 -178.45 5.1 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.91 0.386 . . . . 0.0 111.109 179.442 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.765 HD12 ' C ' ' A' ' 6' ' ' SER . 3.6 mp -143.29 116.7 6.05 Favored Pre-proline 0 CA--C 1.531 0.228 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.429 179.506 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -68.66 138.04 44.05 Favored 'Cis proline' 0 C--N 1.349 0.58 0 C-N-CA 123.528 -1.447 . . . . 0.0 112.208 -0.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.543 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 20.9 Cg_endo -61.46 132.6 41.57 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.813 2.342 . . . . 0.0 112.521 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.553 ' HB ' HG23 ' A' ' 4' ' ' THR . 18.7 mm -79.24 100.1 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 178.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.495 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 72.3 m -88.76 132.36 34.65 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -178.506 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.485 ' HB2' ' CG ' ' A' ' 2' ' ' ARG . 16.4 m-85 -118.52 153.96 52.18 Favored Pre-proline 0 C--O 1.237 0.397 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.513 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_endo -56.95 -27.69 74.34 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 123.081 2.521 . . . . 0.0 112.789 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.435 ' HB3' ' HD2' ' A' ' 2' ' ' ARG . 31.0 t70 . . . . . 0 C--O 1.251 1.132 0 CA-C-O 118.831 -0.604 . . . . 0.0 110.95 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.29 0 N-CA-C 112.682 -0.167 . . . . 0.0 112.682 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.45 ' O ' ' HA ' ' A' ' 11' ' ' CYS . 22.8 ptt180 -68.7 121.22 16.02 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.84 0.352 . . . . 0.0 111.172 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.653 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 54.3 m -104.18 135.05 46.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.718 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.63 HG23 ' HB ' ' A' ' 10' ' ' ILE . 49.0 p -65.44 179.05 0.83 Allowed 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.991 0.424 . . . . 0.0 111.545 -179.597 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp -99.83 40.23 1.25 Allowed 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.485 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.678 ' C ' HD12 ' A' ' 7' ' ' ILE . 89.6 p -123.85 -176.2 3.41 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.804 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.678 HD12 ' C ' ' A' ' 6' ' ' SER . 3.3 mp -139.72 114.16 7.9 Favored Pre-proline 0 CA--C 1.53 0.208 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.698 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -73.65 141.14 70.87 Favored 'Cis proline' 0 C--N 1.348 0.52 0 C-N-CA 123.683 -1.382 . . . . 0.0 112.299 -0.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.653 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 25.9 Cg_endo -62.77 134.26 46.1 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.846 2.364 . . . . 0.0 112.454 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.63 ' HB ' HG23 ' A' ' 4' ' ' THR . 27.7 mm -81.57 99.24 4.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.225 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 64.0 m -86.67 105.11 16.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.998 0.428 . . . . 0.0 111.286 -179.337 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.409 ' HB2' ' HG3' ' A' ' 2' ' ' ARG . 40.2 m-85 -87.88 147.35 40.84 Favored Pre-proline 0 C--O 1.232 0.171 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.664 179.679 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -54.1 -30.65 61.3 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.929 2.419 . . . . 0.0 112.311 178.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.4 t70 . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.371 -0.823 . . . . 0.0 110.867 179.769 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.3 0 N-CA-C 112.579 -0.208 . . . . 0.0 112.579 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.534 ' CG ' ' HB2' ' A' ' 12' ' ' PHE . 7.5 ptm180 -78.07 161.23 27.58 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-O 120.495 0.188 . . . . 0.0 110.516 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.589 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 58.8 m -153.26 144.04 22.76 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.69 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.608 HG23 ' HB ' ' A' ' 10' ' ' ILE . 59.8 p -67.84 -160.51 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.596 -179.646 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.662 ' N ' ' HD2' ' A' ' 5' ' ' LYS . 5.5 mptt -117.39 45.92 1.81 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.973 0.416 . . . . 0.0 110.633 -179.332 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.738 ' C ' HD12 ' A' ' 7' ' ' ILE . 79.1 p -135.84 -178.26 5.05 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.044 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.738 HD12 ' C ' ' A' ' 6' ' ' SER . 3.6 mp -140.43 116.01 7.69 Favored Pre-proline 0 C--O 1.233 0.192 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.685 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -70.71 136.57 41.46 Favored 'Cis proline' 0 C--N 1.349 0.555 0 C-N-CA 123.469 -1.471 . . . . 0.0 112.244 -0.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.589 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 26.7 Cg_endo -63.21 136.9 58.26 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.751 2.3 . . . . 0.0 112.227 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.608 ' HB ' HG23 ' A' ' 4' ' ' THR . 23.0 mm -78.68 97.8 2.44 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 178.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.508 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 76.6 m -89.18 131.22 35.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.128 0.49 . . . . 0.0 112.268 -178.319 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.534 ' HB2' ' CG ' ' A' ' 2' ' ' ARG . 5.3 m-85 -113.69 153.78 45.84 Favored Pre-proline 0 C--O 1.236 0.39 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.71 179.66 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -53.82 -29.01 50.72 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 123.367 2.711 . . . . 0.0 113.294 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.524 ' HB3' ' HD2' ' A' ' 2' ' ' ARG . 42.0 t0 . . . . . 0 C--O 1.252 1.188 0 CA-C-O 118.986 -0.53 . . . . 0.0 110.912 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.241 0 N-CA-C 112.556 -0.218 . . . . 0.0 112.556 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.536 ' HG3' ' HB2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -77.02 116.86 18.05 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.857 0.36 . . . . 0.0 110.852 179.869 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.676 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 41.9 m -100.92 138.48 37.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.656 HG23 ' HB ' ' A' ' 10' ' ' ILE . 56.9 p -63.18 162.09 12.46 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.982 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.586 ' H ' ' HD3' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -87.12 38.83 0.83 Allowed 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 179.266 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.737 ' C ' HD12 ' A' ' 7' ' ' ILE . 88.9 p -124.94 -174.24 2.99 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.848 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.737 HD12 ' C ' ' A' ' 6' ' ' SER . 3.7 mp -140.27 116.92 7.97 Favored Pre-proline 0 CA--C 1.531 0.236 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.627 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -73.91 137.16 48.33 Favored 'Cis proline' 0 C--N 1.35 0.619 0 C-N-CA 123.612 -1.412 . . . . 0.0 112.262 -0.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.676 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 23.5 Cg_endo -62.87 129.92 27.62 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.673 2.249 . . . . 0.0 112.38 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.656 ' HB ' HG23 ' A' ' 4' ' ' THR . 35.1 mm -80.16 103.28 6.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 179.211 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.539 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 69.1 m -87.01 115.16 24.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.969 0.414 . . . . 0.0 111.388 -179.292 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.536 ' HB2' ' HG3' ' A' ' 2' ' ' ARG . 19.5 m-85 -96.4 148.28 34.24 Favored Pre-proline 0 C--O 1.234 0.258 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.9 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -54.69 -31.63 72.12 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 123.072 2.515 . . . . 0.0 112.375 179.092 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.415 ' HB3' ' CZ ' ' A' ' 2' ' ' ARG . 37.8 t0 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.336 -0.84 . . . . 0.0 110.747 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.233 0 CA-C-O 120.226 -0.208 . . . . 0.0 112.902 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.521 ' O ' ' HA ' ' A' ' 11' ' ' CYS . 31.4 ptt180 -78.96 125.88 29.96 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 116.839 0.319 . . . . 0.0 110.616 179.763 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.641 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 58.2 m -109.53 134.77 51.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.624 0.249 . . . . 0.0 111.038 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.617 HG23 ' HB ' ' A' ' 10' ' ' ILE . 65.6 p -68.39 166.09 17.42 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.985 0.421 . . . . 0.0 111.372 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.22 -5.44 51.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.081 179.756 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.719 ' C ' HD12 ' A' ' 7' ' ' ILE . 99.3 p -77.54 -179.24 5.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.011 0.434 . . . . 0.0 111.717 -179.391 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.719 HD12 ' C ' ' A' ' 6' ' ' SER . 3.5 mp -139.87 116.19 8.14 Favored Pre-proline 0 CA--C 1.53 0.209 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.628 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_exo -71.39 139.85 61.32 Favored 'Cis proline' 0 C--N 1.349 0.577 0 C-N-CA 123.45 -1.479 . . . . 0.0 112.284 -0.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.641 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 21.9 Cg_endo -61.55 133.56 46.33 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.974 2.449 . . . . 0.0 111.85 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.617 ' HB ' HG23 ' A' ' 4' ' ' THR . 29.7 mm -79.17 100.62 3.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 179.549 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.521 ' HA ' ' O ' ' A' ' 2' ' ' ARG . 86.1 m -87.67 103.21 15.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.959 0.409 . . . . 0.0 111.208 -179.435 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.406 ' HB2' ' CG ' ' A' ' 2' ' ' ARG . 31.8 m-85 -83.38 145.05 47.52 Favored Pre-proline 0 C--O 1.233 0.223 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.775 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -57.48 -23.29 55.14 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 123.067 2.511 . . . . 0.0 113.101 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.6 t70 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.082 -0.961 . . . . 0.0 110.874 -179.86 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.264 0 N-CA-C 112.797 -0.121 . . . . 0.0 112.797 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.636 ' HG2' ' HB2' ' A' ' 12' ' ' PHE . 11.6 ptp180 -74.88 135.76 41.51 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 110.305 -0.258 . . . . 0.0 110.305 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.506 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 67.6 m -122.73 132.51 54.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.676 0.274 . . . . 0.0 110.873 179.494 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.3 p -66.39 162.11 21.14 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.357 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.546 ' H ' ' HD2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -82.88 26.95 0.56 Allowed 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.044 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.747 ' C ' HD12 ' A' ' 7' ' ' ILE . 85.0 p -104.69 -178.64 3.71 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.775 0.322 . . . . 0.0 110.832 179.264 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.747 HD12 ' C ' ' A' ' 6' ' ' SER . 3.6 mp -140.49 114.72 7.43 Favored Pre-proline 0 CA--C 1.53 0.204 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.734 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -72.16 140.35 65.43 Favored 'Cis proline' 0 C--N 1.349 0.572 0 C-N-CA 123.693 -1.378 . . . . 0.0 112.222 -0.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.506 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 22.0 Cg_endo -62.87 131.06 31.44 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 122.611 2.208 . . . . 0.0 112.761 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.502 HD12 ' N ' ' A' ' 10' ' ' ILE . 1.2 mp -81.08 105.75 11.39 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.367 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 178.334 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.565 ' HA ' ' O ' ' A' ' 2' ' ' ARG . 70.5 m -93.14 125.56 37.8 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.092 -178.533 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.636 ' HB2' ' HG2' ' A' ' 2' ' ' ARG . 2.0 m-85 -98.52 143.48 26.39 Favored Pre-proline 0 C--O 1.238 0.449 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.873 179.019 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -51.04 -32.42 38.81 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 123.191 2.594 . . . . 0.0 112.829 179.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.3 t70 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.381 -0.819 . . . . 0.0 110.946 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.258 0 N-CA-C 112.615 -0.194 . . . . 0.0 112.615 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.546 ' HG2' ' HB2' ' A' ' 12' ' ' PHE . 38.0 ptt180 -76.05 131.6 39.6 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.502 0.191 . . . . 0.0 110.772 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.544 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 60.9 m -117.79 135.64 53.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.66 0.267 . . . . 0.0 111.122 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.62 HG23 ' HB ' ' A' ' 10' ' ' ILE . 60.6 p -66.53 159.38 27.45 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.804 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.445 ' H ' ' HD2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -82.48 30.84 0.41 Allowed 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.8 179.863 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.743 ' C ' HD12 ' A' ' 7' ' ' ILE . 97.2 p -112.76 -175.75 2.75 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.822 0.344 . . . . 0.0 110.877 179.469 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.743 HD12 ' C ' ' A' ' 6' ' ' SER . 3.7 mp -141.5 116.4 7.04 Favored Pre-proline 0 CA--C 1.53 0.198 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.548 179.497 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -72.22 138.09 52.28 Favored 'Cis proline' 0 C--N 1.35 0.612 0 C-N-CA 123.531 -1.446 . . . . 0.0 112.224 -0.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.544 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 25.1 Cg_endo -62.7 132.87 39.47 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.881 2.388 . . . . 0.0 112.362 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.62 ' HB ' HG23 ' A' ' 4' ' ' THR . 30.5 mm -79.17 99.56 3.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 178.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 2' ' ' ARG . 73.8 m -89.79 117.13 28.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.179 0.514 . . . . 0.0 112.071 -178.716 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.546 ' HB2' ' HG2' ' A' ' 2' ' ' ARG . 7.7 m-85 -95.93 144.94 28.68 Favored Pre-proline 0 C--O 1.235 0.328 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.226 179.208 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -51.32 -33.39 45.5 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 123.294 2.663 . . . . 0.0 113.03 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.6 t70 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.519 -0.753 . . . . 0.0 110.837 -179.895 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.218 0 N-CA-C 112.375 -0.29 . . . . 0.0 112.375 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.626 ' O ' ' HA ' ' A' ' 11' ' ' CYS . 8.3 ptp180 -68.26 128.37 36.31 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 179.618 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.587 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 62.8 m -114.98 130.36 56.91 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.542 0.21 . . . . 0.0 110.609 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.616 HG23 ' HB ' ' A' ' 10' ' ' ILE . 66.5 p -62.75 162.12 11.38 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.418 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.56 ' C ' ' HD2' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -84.98 32.01 0.54 Allowed 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.52 178.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.702 ' C ' HD12 ' A' ' 7' ' ' ILE . 89.6 p -115.28 -172.69 2.18 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.761 0.315 . . . . 0.0 110.863 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.702 HD12 ' C ' ' A' ' 6' ' ' SER . 3.9 mp -143.04 116.33 6.11 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.446 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -72.95 138.92 58.29 Favored 'Cis proline' 0 C--N 1.349 0.57 0 C-N-CA 123.548 -1.438 . . . . 0.0 112.058 -0.432 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.587 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 22.9 Cg_endo -61.88 130.58 31.59 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.688 2.258 . . . . 0.0 112.181 179.756 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.616 ' HB ' HG23 ' A' ' 4' ' ' THR . 29.3 mm -79.44 100.23 3.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.494 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.626 ' HA ' ' O ' ' A' ' 2' ' ' ARG . 79.7 m -88.37 104.7 17.01 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 121.011 0.434 . . . . 0.0 111.596 -179.096 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.555 ' HB2' ' HG2' ' A' ' 2' ' ' ARG . 28.6 m-85 -85.94 146.03 42.35 Favored Pre-proline 0 C--O 1.234 0.258 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.899 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -59.39 -25.17 77.56 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 123.095 2.53 . . . . 0.0 113.146 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.6 t70 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.105 -0.95 . . . . 0.0 110.701 179.911 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.222 0 N-CA-C 112.646 -0.182 . . . . 0.0 112.646 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.519 ' HG2' ' HB2' ' A' ' 12' ' ' PHE . 37.2 ptt180 -77.96 130.32 36.4 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-O 120.543 0.211 . . . . 0.0 110.799 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.625 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 59.4 m -113.5 138.65 49.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.712 -0.222 . . . . 0.0 110.928 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.668 HG23 ' HB ' ' A' ' 10' ' ' ILE . 72.7 p -67.35 -175.69 0.51 Allowed 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.924 0.392 . . . . 0.0 111.426 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.704 ' HD3' ' N ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -103.29 43.32 1.09 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.15 0.5 . . . . 0.0 110.656 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.758 ' C ' HD12 ' A' ' 7' ' ' ILE . 81.3 p -130.82 -179.09 5.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.758 HD12 ' C ' ' A' ' 6' ' ' SER . 3.6 mp -140.63 116.28 7.59 Favored Pre-proline 0 C--O 1.233 0.212 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.649 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -70.82 136.98 43.78 Favored 'Cis proline' 0 C--N 1.349 0.573 0 C-N-CA 123.398 -1.501 . . . . 0.0 112.229 -0.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.625 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 28.1 Cg_endo -63.41 136.15 53.49 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.802 2.335 . . . . 0.0 112.126 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.668 ' HB ' HG23 ' A' ' 4' ' ' THR . 33.9 mm -78.43 97.63 2.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.154 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 2' ' ' ARG . 76.8 m -89.58 113.52 24.96 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.141 0.496 . . . . 0.0 111.813 -178.809 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.519 ' HB2' ' HG2' ' A' ' 2' ' ' ARG . 11.5 m-85 -89.8 145.94 34.38 Favored Pre-proline 0 C--O 1.235 0.311 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.259 179.247 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -50.71 -34.28 43.4 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 123.325 2.683 . . . . 0.0 113.064 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.6 t70 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.141 -0.933 . . . . 0.0 110.874 -179.885 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 N-CA-C 112.612 -0.195 . . . . 0.0 112.612 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.485 ' CG ' ' HB2' ' A' ' 12' ' ' PHE . 38.1 ptt180 -81.04 132.05 35.34 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-O 120.472 0.177 . . . . 0.0 111.038 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.601 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 60.4 m -117.52 139.2 51.26 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.691 -0.231 . . . . 0.0 110.808 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.671 HG23 ' HB ' ' A' ' 10' ' ' ILE . 72.7 p -67.14 -175.78 0.48 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.931 0.396 . . . . 0.0 111.483 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.712 ' HD3' ' N ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -103.29 43.27 1.09 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.669 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.76 ' C ' HD12 ' A' ' 7' ' ' ILE . 80.6 p -130.38 -179.48 5.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.003 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.76 HD12 ' C ' ' A' ' 6' ' ' SER . 3.6 mp -140.8 116.32 7.47 Favored Pre-proline 0 C--O 1.233 0.218 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.613 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -70.28 137.01 42.75 Favored 'Cis proline' 0 C--N 1.349 0.565 0 C-N-CA 123.461 -1.475 . . . . 0.0 112.213 -0.447 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.601 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 27.7 Cg_endo -63.1 136.1 54.47 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.769 2.313 . . . . 0.0 112.211 179.726 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.671 ' HB ' HG23 ' A' ' 4' ' ' THR . 32.7 mm -78.36 96.64 1.99 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.049 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 2' ' ' ARG . 74.0 m -89.18 116.62 27.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.085 0.469 . . . . 0.0 111.916 -178.733 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.485 ' HB2' ' CG ' ' A' ' 2' ' ' ARG . 8.5 m-85 -92.27 142.81 26.54 Favored Pre-proline 0 C--O 1.235 0.292 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.047 179.121 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -50.56 -38.48 54.76 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 123.364 2.709 . . . . 0.0 113.055 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.139 -0.934 . . . . 0.0 110.906 -179.796 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.271 0 CA-C-O 120.205 -0.22 . . . . 0.0 112.83 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.519 ' O ' ' HA ' ' A' ' 11' ' ' CYS . 30.0 ptt180 -70.83 124.27 23.93 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.804 0.302 . . . . 0.0 110.684 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.658 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 46.3 m -108.57 139.52 43.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.082 -179.655 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.667 HG23 ' HB ' ' A' ' 10' ' ' ILE . 43.0 p -71.11 -167.43 0.22 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.913 0.387 . . . . 0.0 111.535 -179.628 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.614 ' N ' ' HD2' ' A' ' 5' ' ' LYS . 1.2 mptp? -107.15 38.96 1.98 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.683 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.762 ' C ' HD12 ' A' ' 7' ' ' ILE . 81.0 p -123.54 -178.46 4.02 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.812 0.339 . . . . 0.0 111.159 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.762 HD12 ' C ' ' A' ' 6' ' ' SER . 3.6 mp -140.69 114.58 7.27 Favored Pre-proline 0 C--O 1.233 0.2 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.758 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -70.19 140.26 60.81 Favored 'Cis proline' 0 C--N 1.348 0.518 0 C-N-CA 123.469 -1.471 . . . . 0.0 112.223 -0.532 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.658 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 25.6 Cg_endo -61.89 135.26 54.61 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.766 2.311 . . . . 0.0 112.366 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.667 ' HB ' HG23 ' A' ' 4' ' ' THR . 25.1 mm -78.9 97.31 2.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.085 179.427 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.519 ' HA ' ' O ' ' A' ' 2' ' ' ARG . 63.0 m -89.38 113.62 24.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.16 -179.331 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.423 ' HB2' ' CG ' ' A' ' 2' ' ' ARG . 29.0 m-85 -93.98 147.5 33.59 Favored Pre-proline 0 C--O 1.234 0.238 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.94 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -55.3 -36.14 92.97 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.912 2.408 . . . . 0.0 111.998 178.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 C--O 1.251 1.15 0 CA-C-O 118.417 -0.802 . . . . 0.0 111.514 179.88 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.213 0 CA-C-O 120.305 -0.164 . . . . 0.0 113.071 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.574 ' CG ' ' HB2' ' A' ' 12' ' ' PHE . 9.3 ptp180 -84.62 162.98 19.56 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.874 0.369 . . . . 0.0 111.59 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.517 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 78.3 m -154.98 135.69 13.56 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.353 179.156 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.581 HG23 ' HB ' ' A' ' 10' ' ' ILE . 48.6 p -65.47 165.78 11.47 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.866 179.719 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.564 ' H ' ' HD3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -89.62 29.87 1.09 Allowed 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.425 179.445 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.759 ' C ' HD12 ' A' ' 7' ' ' ILE . 98.2 p -111.47 -175.41 2.69 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.885 179.578 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.759 HD12 ' C ' ' A' ' 6' ' ' SER . 3.6 mp -140.86 116.26 7.42 Favored Pre-proline 0 CA--C 1.531 0.23 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.952 179.747 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -72.63 139.25 59.7 Favored 'Cis proline' 0 C--N 1.349 0.592 0 C-N-CA 123.487 -1.464 . . . . 0.0 112.079 -0.639 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.49 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 20.5 Cg_endo -61.73 131.23 34.48 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.649 2.233 . . . . 0.0 112.46 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.581 ' HB ' HG23 ' A' ' 4' ' ' THR . 30.1 mm -79.23 98.94 3.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 178.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.517 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 75.3 m -87.82 126.35 34.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.027 0.441 . . . . 0.0 112.082 -178.684 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.574 ' HB2' ' CG ' ' A' ' 2' ' ' ARG . 8.7 m-85 -108.01 143.74 27.96 Favored Pre-proline 0 C--O 1.235 0.308 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.727 179.027 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -51.52 -38.38 64.35 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.994 2.463 . . . . 0.0 112.729 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.1 -0.952 . . . . 0.0 110.744 179.894 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 CA-C-O 120.303 -0.165 . . . . 0.0 112.831 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.58 ' HG3' ' HB2' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -73.96 116.93 15.16 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.941 0.4 . . . . 0.0 111.14 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.755 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 31.8 m -100.32 143.91 29.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.032 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.672 HG23 ' HB ' ' A' ' 10' ' ' ILE . 52.1 p -68.41 -164.17 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.881 0.372 . . . . 0.0 111.57 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.651 ' N ' ' HD2' ' A' ' 5' ' ' LYS . 1.9 mptp? -111.7 46.84 1.08 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.618 -179.563 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.765 ' C ' HD12 ' A' ' 7' ' ' ILE . 80.6 p -137.65 -177.89 5.0 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.979 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.765 HD12 ' C ' ' A' ' 6' ' ' SER . 3.6 mp -140.47 116.27 7.71 Favored Pre-proline 0 CA--C 1.53 0.2 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.709 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo -71.01 136.52 41.87 Favored 'Cis proline' 0 C--N 1.35 0.609 0 C-N-CA 123.43 -1.488 . . . . 0.0 112.238 -0.505 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.755 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 30.7 Cg_endo -64.53 136.56 50.87 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.738 2.292 . . . . 0.0 112.215 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.672 ' HB ' HG23 ' A' ' 4' ' ' THR . 29.0 mm -78.73 98.66 2.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 179.44 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.529 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 64.1 m -87.61 117.81 26.67 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.057 0.455 . . . . 0.0 111.511 -179.122 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.58 ' HB2' ' HG3' ' A' ' 2' ' ' ARG . 14.2 m-85 -97.19 144.82 28.56 Favored Pre-proline 0 C--O 1.233 0.218 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.847 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -57.99 -23.21 58.97 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 123.288 2.659 . . . . 0.0 113.098 179.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.7 t70 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.56 -0.733 . . . . 0.0 111.213 -179.623 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.233 0 N-CA-C 112.576 -0.209 . . . . 0.0 112.576 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.524 ' O ' ' HA ' ' A' ' 11' ' ' CYS . 8.2 ptm180 -75.18 160.66 30.15 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 110.465 -0.198 . . . . 0.0 110.465 179.632 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.584 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 58.0 m -151.35 140.05 20.76 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.336 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.588 HG23 ' HB ' ' A' ' 10' ' ' ILE . 32.2 p -64.96 -174.39 0.14 Allowed 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.964 0.411 . . . . 0.0 111.855 -179.084 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.666 ' N ' ' HD2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -105.69 43.43 1.13 Allowed 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.606 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.775 ' C ' HD12 ' A' ' 7' ' ' ILE . 79.9 p -128.69 -178.63 4.67 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.782 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.775 HD12 ' C ' ' A' ' 6' ' ' SER . 3.5 mp -139.5 115.13 8.21 Favored Pre-proline 0 CA--C 1.53 0.189 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.731 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -72.35 137.62 49.73 Favored 'Cis proline' 0 C--N 1.349 0.553 0 C-N-CA 123.638 -1.401 . . . . 0.0 112.335 -0.462 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.584 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 18.2 Cg_endo -61.58 134.29 50.25 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 122.835 2.357 . . . . 0.0 112.604 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.588 ' HB ' HG23 ' A' ' 4' ' ' THR . 27.8 mm -80.21 107.35 12.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 178.782 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.524 ' HA ' ' O ' ' A' ' 2' ' ' ARG . 86.4 m -92.86 133.79 35.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.125 0.488 . . . . 0.0 112.194 -178.61 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.486 ' HB2' ' CG ' ' A' ' 2' ' ' ARG . 4.4 m-85 -117.97 153.58 51.15 Favored Pre-proline 0 C--O 1.236 0.348 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.955 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -55.16 -35.42 90.74 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 123.273 2.649 . . . . 0.0 112.798 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.549 -0.739 . . . . 0.0 111.56 -179.593 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.25 0 CA-C-O 120.342 -0.143 . . . . 0.0 112.864 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.555 ' HD2' ' HB2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -84.01 152.43 24.43 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 110.216 -0.291 . . . . 0.0 110.216 179.819 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.63 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 56.3 m -146.81 140.35 25.72 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.727 0.298 . . . . 0.0 111.123 -179.554 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.574 HG23 ' HB ' ' A' ' 10' ' ' ILE . 53.8 p -62.03 161.14 11.26 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.963 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.413 ' HD2' ' C ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -84.91 32.97 0.52 Allowed 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 179.551 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.752 ' C ' HD12 ' A' ' 7' ' ' ILE . 93.7 p -115.59 -176.44 2.93 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.762 0.315 . . . . 0.0 110.858 179.448 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.752 HD12 ' C ' ' A' ' 6' ' ' SER . 3.7 mp -141.68 116.74 6.98 Favored Pre-proline 0 CA--C 1.53 0.197 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.625 179.603 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_exo -71.5 137.06 45.29 Favored 'Cis proline' 0 C--N 1.349 0.599 0 C-N-CA 123.549 -1.438 . . . . 0.0 112.267 -0.447 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.63 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 22.2 Cg_endo -62.71 131.86 35.12 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.754 2.303 . . . . 0.0 112.476 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.574 ' HB ' HG23 ' A' ' 4' ' ' THR . 21.1 mm -79.79 105.01 8.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.748 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.482 ' HA ' ' O ' ' A' ' 2' ' ' ARG . 73.4 m -90.41 135.66 33.54 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -178.363 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.555 ' HB2' ' HD2' ' A' ' 2' ' ' ARG . 7.2 m-85 -123.51 152.52 65.04 Favored Pre-proline 0 C--O 1.236 0.392 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.497 179.594 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -61.82 -6.59 7.82 Favored 'Trans proline' 0 CA--C 1.536 0.613 0 C-N-CA 123.189 2.593 . . . . 0.0 113.702 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.465 ' HB3' ' HG2' ' A' ' 2' ' ' ARG . 38.1 t70 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.108 -0.948 . . . . 0.0 111.128 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.594 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 59.1 m . . . . . 0 N--CA 1.464 0.273 0 CA-C-O 120.676 0.274 . . . . 0.0 111.27 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.641 HG23 ' HB ' ' A' ' 10' ' ' ILE . 67.7 p -67.83 161.26 26.64 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.132 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.457 ' H ' ' CD ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -81.04 27.66 0.39 Allowed 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 116.119 -0.492 . . . . 0.0 112.044 179.751 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.757 ' C ' HD12 ' A' ' 7' ' ' ILE . 91.1 p -109.69 -177.35 3.25 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.756 0.312 . . . . 0.0 110.998 179.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.757 HD12 ' C ' ' A' ' 6' ' ' SER . 3.7 mp -141.38 115.9 7.03 Favored Pre-proline 0 CA--C 1.531 0.215 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.551 179.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_exo -70.91 138.93 54.95 Favored 'Cis proline' 0 C--N 1.349 0.587 0 C-N-CA 123.517 -1.451 . . . . 0.0 112.271 -0.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.594 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 26.7 Cg_endo -62.68 133.93 44.74 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.799 2.333 . . . . 0.0 112.336 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.641 ' HB ' HG23 ' A' ' 4' ' ' THR . 28.1 mm -78.8 98.13 2.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 179.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 73.9 m . . . . . 0 C--N 1.331 -0.216 0 CA-C-O 121.222 0.534 . . . . 0.0 112.113 -178.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.617 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 57.6 m . . . . . 0 N--CA 1.467 0.377 0 CA-C-O 120.693 0.282 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.559 HG23 ' HB ' ' A' ' 10' ' ' ILE . 47.8 p -66.64 160.91 24.45 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.41 ' H ' ' HD2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -81.78 26.2 0.51 Allowed 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 179.776 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.755 ' C ' HD12 ' A' ' 7' ' ' ILE . 89.7 p -105.65 -176.96 3.23 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.77 0.319 . . . . 0.0 110.939 179.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.755 HD12 ' C ' ' A' ' 6' ' ' SER . 3.7 mp -141.57 115.25 6.81 Favored Pre-proline 0 CA--C 1.53 0.195 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.698 179.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_exo -70.66 139.96 60.42 Favored 'Cis proline' 0 C--N 1.349 0.604 0 C-N-CA 123.647 -1.397 . . . . 0.0 112.209 -0.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.617 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 25.0 Cg_endo -62.88 132.17 36.03 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.767 2.311 . . . . 0.0 112.495 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.559 ' HB ' HG23 ' A' ' 4' ' ' THR . 17.1 mm -79.52 102.99 5.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.491 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 74.1 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.104 0.478 . . . . 0.0 112.146 -178.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.565 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 59.5 m . . . . . 0 N--CA 1.464 0.255 0 CA-C-O 120.672 0.273 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.612 HG23 ' HB ' ' A' ' 10' ' ' ILE . 70.4 p -67.47 -165.34 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.226 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.515 ' H ' ' HD3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -117.14 45.43 1.88 Allowed 'General case' 0 C--O 1.233 0.237 0 CA-C-O 121.246 0.546 . . . . 0.0 110.419 179.184 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.879 ' O ' HD13 ' A' ' 7' ' ' ILE . 79.5 p -133.41 176.31 8.64 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.184 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.879 HD13 ' O ' ' A' ' 6' ' ' SER . 10.3 mm -129.28 114.46 18.44 Favored Pre-proline 0 CA--C 1.53 0.197 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.037 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -76.49 142.54 73.43 Favored 'Cis proline' 0 C--N 1.349 0.56 0 C-N-CA 123.569 -1.43 . . . . 0.0 111.972 -0.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.565 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 27.1 Cg_endo -63.82 135.17 47.0 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.639 2.226 . . . . 0.0 112.483 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.612 ' HB ' HG23 ' A' ' 4' ' ' THR . 32.2 mm -79.19 100.96 4.16 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 85.9 m . . . . . 0 C--O 1.233 0.214 0 CA-C-O 121.097 0.475 . . . . 0.0 111.716 -178.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.54 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 61.6 m . . . . . 0 N--CA 1.466 0.336 0 CA-C-O 120.672 0.272 . . . . 0.0 110.667 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.656 HG23 ' HB ' ' A' ' 10' ' ' ILE . 55.9 p -67.19 -160.61 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.704 -179.431 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.656 ' HD2' ' N ' ' A' ' 5' ' ' LYS . 5.5 mptt -116.94 44.77 1.99 Allowed 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 121.003 0.43 . . . . 0.0 110.607 -179.348 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.748 ' C ' HD12 ' A' ' 7' ' ' ILE . 81.0 p -133.17 -177.89 4.72 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.0 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.748 HD12 ' C ' ' A' ' 6' ' ' SER . 3.6 mp -140.43 115.44 7.59 Favored Pre-proline 0 CA--C 1.531 0.227 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.678 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.403 ' HA ' ' HA ' ' A' ' 7' ' ' ILE . 9.1 Cg_exo -71.06 137.96 49.81 Favored 'Cis proline' 0 C--N 1.349 0.593 0 C-N-CA 123.447 -1.48 . . . . 0.0 112.198 -0.295 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.54 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 26.3 Cg_endo -62.39 136.99 62.53 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.833 2.356 . . . . 0.0 112.261 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.656 ' HB ' HG23 ' A' ' 4' ' ' THR . 33.8 mm -78.34 96.84 2.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.108 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 82.6 m . . . . . 0 N--CA 1.455 -0.201 0 CA-C-O 121.029 0.443 . . . . 0.0 111.905 -178.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.559 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 64.5 m . . . . . 0 N--CA 1.468 0.465 0 CA-C-O 120.513 0.196 . . . . 0.0 110.499 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.619 HG23 ' HB ' ' A' ' 10' ' ' ILE . 69.3 p -67.89 -169.21 0.12 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.849 0.357 . . . . 0.0 111.502 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.633 ' HD2' ' N ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -109.55 45.7 1.06 Allowed 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.713 -179.767 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.74 ' C ' HD12 ' A' ' 7' ' ' ILE . 79.3 p -134.47 -178.73 5.19 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.037 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.74 HD12 ' C ' ' A' ' 6' ' ' SER . 3.6 mp -140.46 116.06 7.68 Favored Pre-proline 0 CA--C 1.531 0.224 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.641 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -70.76 136.78 42.65 Favored 'Cis proline' 0 C--N 1.349 0.568 0 C-N-CA 123.477 -1.468 . . . . 0.0 112.196 -0.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.559 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 26.5 Cg_endo -63.11 136.29 55.45 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.751 2.301 . . . . 0.0 112.208 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.619 ' HB ' HG23 ' A' ' 4' ' ' THR . 25.8 mm -78.42 96.56 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.5 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 73.5 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.305 -178.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.543 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 61.8 m . . . . . 0 N--CA 1.466 0.346 0 CA-C-O 120.563 0.221 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.553 HG23 ' HB ' ' A' ' 10' ' ' ILE . 55.5 p -67.82 162.84 23.12 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.112 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.94 11.82 3.1 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 179.183 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.765 ' C ' HD12 ' A' ' 7' ' ' ILE . 92.4 p -91.5 -178.45 5.1 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.91 0.386 . . . . 0.0 111.109 179.442 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.765 HD12 ' C ' ' A' ' 6' ' ' SER . 3.6 mp -143.29 116.7 6.05 Favored Pre-proline 0 CA--C 1.531 0.228 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.429 179.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -68.66 138.04 44.05 Favored 'Cis proline' 0 C--N 1.349 0.58 0 C-N-CA 123.528 -1.447 . . . . 0.0 112.208 -0.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.543 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 20.9 Cg_endo -61.46 132.6 41.57 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.813 2.342 . . . . 0.0 112.521 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.553 ' HB ' HG23 ' A' ' 4' ' ' THR . 18.7 mm -79.24 100.1 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 178.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.495 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 72.3 m . . . . . 0 C--N 1.329 -0.306 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -178.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.653 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 54.3 m . . . . . 0 C--O 1.233 0.206 0 CA-C-O 120.617 0.246 . . . . 0.0 110.718 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.63 HG23 ' HB ' ' A' ' 10' ' ' ILE . 49.0 p -65.44 179.05 0.83 Allowed 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.991 0.424 . . . . 0.0 111.545 -179.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp -99.83 40.23 1.25 Allowed 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.485 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.678 ' C ' HD12 ' A' ' 7' ' ' ILE . 89.6 p -123.85 -176.2 3.41 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.804 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.678 HD12 ' C ' ' A' ' 6' ' ' SER . 3.3 mp -139.72 114.16 7.9 Favored Pre-proline 0 CA--C 1.53 0.208 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.698 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -73.65 141.14 70.87 Favored 'Cis proline' 0 C--N 1.348 0.52 0 C-N-CA 123.683 -1.382 . . . . 0.0 112.299 -0.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.653 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 25.9 Cg_endo -62.77 134.26 46.1 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.846 2.364 . . . . 0.0 112.454 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.63 ' HB ' HG23 ' A' ' 4' ' ' THR . 27.7 mm -81.57 99.24 4.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.225 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 64.0 m . . . . . 0 C--N 1.331 -0.229 0 CA-C-O 120.998 0.428 . . . . 0.0 111.286 -179.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.589 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 58.8 m . . . . . 0 N--CA 1.467 0.377 0 CA-C-O 120.57 0.224 . . . . 0.0 110.69 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.608 HG23 ' HB ' ' A' ' 10' ' ' ILE . 59.8 p -67.84 -160.51 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.596 -179.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.662 ' HD2' ' N ' ' A' ' 5' ' ' LYS . 5.5 mptt -117.39 45.92 1.81 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.973 0.416 . . . . 0.0 110.633 -179.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.738 ' C ' HD12 ' A' ' 7' ' ' ILE . 79.1 p -135.84 -178.26 5.05 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.044 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.738 HD12 ' C ' ' A' ' 6' ' ' SER . 3.6 mp -140.43 116.01 7.69 Favored Pre-proline 0 C--O 1.233 0.192 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.685 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -70.71 136.57 41.46 Favored 'Cis proline' 0 C--N 1.349 0.555 0 C-N-CA 123.469 -1.471 . . . . 0.0 112.244 -0.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.589 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 26.7 Cg_endo -63.21 136.9 58.26 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.751 2.3 . . . . 0.0 112.227 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.608 ' HB ' HG23 ' A' ' 4' ' ' THR . 23.0 mm -78.68 97.8 2.44 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 178.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.508 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 76.6 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 121.128 0.49 . . . . 0.0 112.268 -178.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.676 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 41.9 m . . . . . 0 N--CA 1.464 0.227 0 CA-C-O 120.645 0.26 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.656 HG23 ' HB ' ' A' ' 10' ' ' ILE . 56.9 p -63.18 162.09 12.46 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.982 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.586 ' H ' ' HD3' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -87.12 38.83 0.83 Allowed 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 179.266 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.737 ' C ' HD12 ' A' ' 7' ' ' ILE . 88.9 p -124.94 -174.24 2.99 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.848 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.737 HD12 ' C ' ' A' ' 6' ' ' SER . 3.7 mp -140.27 116.92 7.97 Favored Pre-proline 0 CA--C 1.531 0.236 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.627 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -73.91 137.16 48.33 Favored 'Cis proline' 0 C--N 1.35 0.619 0 C-N-CA 123.612 -1.412 . . . . 0.0 112.262 -0.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.676 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 23.5 Cg_endo -62.87 129.92 27.62 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.673 2.249 . . . . 0.0 112.38 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.656 ' HB ' HG23 ' A' ' 4' ' ' THR . 35.1 mm -80.16 103.28 6.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 179.211 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.539 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 69.1 m . . . . . 0 C--N 1.331 -0.235 0 CA-C-O 120.969 0.414 . . . . 0.0 111.388 -179.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.641 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 58.2 m . . . . . 0 N--CA 1.463 0.189 0 CA-C-O 120.624 0.249 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.617 HG23 ' HB ' ' A' ' 10' ' ' ILE . 65.6 p -68.39 166.09 17.42 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.985 0.421 . . . . 0.0 111.372 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.22 -5.44 51.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.081 179.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.719 ' C ' HD12 ' A' ' 7' ' ' ILE . 99.3 p -77.54 -179.24 5.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.011 0.434 . . . . 0.0 111.717 -179.391 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.719 HD12 ' C ' ' A' ' 6' ' ' SER . 3.5 mp -139.87 116.19 8.14 Favored Pre-proline 0 CA--C 1.53 0.209 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.628 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_exo -71.39 139.85 61.32 Favored 'Cis proline' 0 C--N 1.349 0.577 0 C-N-CA 123.45 -1.479 . . . . 0.0 112.284 -0.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.641 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 21.9 Cg_endo -61.55 133.56 46.33 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.974 2.449 . . . . 0.0 111.85 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.617 ' HB ' HG23 ' A' ' 4' ' ' THR . 29.7 mm -79.17 100.62 3.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 179.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 86.1 m . . . . . 0 C--N 1.33 -0.247 0 CA-C-O 120.959 0.409 . . . . 0.0 111.208 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.506 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 67.6 m . . . . . 0 N--CA 1.466 0.345 0 CA-C-O 120.676 0.274 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.3 p -66.39 162.11 21.14 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.357 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.546 ' H ' ' HD2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -82.88 26.95 0.56 Allowed 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.044 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.747 ' C ' HD12 ' A' ' 7' ' ' ILE . 85.0 p -104.69 -178.64 3.71 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.775 0.322 . . . . 0.0 110.832 179.264 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.747 HD12 ' C ' ' A' ' 6' ' ' SER . 3.6 mp -140.49 114.72 7.43 Favored Pre-proline 0 CA--C 1.53 0.204 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.734 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -72.16 140.35 65.43 Favored 'Cis proline' 0 C--N 1.349 0.572 0 C-N-CA 123.693 -1.378 . . . . 0.0 112.222 -0.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.506 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 22.0 Cg_endo -62.87 131.06 31.44 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 122.611 2.208 . . . . 0.0 112.761 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.502 ' N ' HD12 ' A' ' 10' ' ' ILE . 1.2 mp -81.08 105.75 11.39 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.367 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 178.334 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 70.5 m . . . . . 0 C--N 1.323 -0.576 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.092 -178.533 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.544 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 60.9 m . . . . . 0 N--CA 1.465 0.297 0 CA-C-O 120.66 0.267 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.62 HG23 ' HB ' ' A' ' 10' ' ' ILE . 60.6 p -66.53 159.38 27.45 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.804 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.445 ' H ' ' HD2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -82.48 30.84 0.41 Allowed 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.8 179.863 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.743 ' C ' HD12 ' A' ' 7' ' ' ILE . 97.2 p -112.76 -175.75 2.75 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.822 0.344 . . . . 0.0 110.877 179.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.743 HD12 ' C ' ' A' ' 6' ' ' SER . 3.7 mp -141.5 116.4 7.04 Favored Pre-proline 0 CA--C 1.53 0.198 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.548 179.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -72.22 138.09 52.28 Favored 'Cis proline' 0 C--N 1.35 0.612 0 C-N-CA 123.531 -1.446 . . . . 0.0 112.224 -0.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.544 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 25.1 Cg_endo -62.7 132.87 39.47 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.881 2.388 . . . . 0.0 112.362 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.62 ' HB ' HG23 ' A' ' 4' ' ' THR . 30.5 mm -79.17 99.56 3.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 178.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.8 m . . . . . 0 C--N 1.33 -0.252 0 CA-C-O 121.179 0.514 . . . . 0.0 112.071 -178.716 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.587 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 62.8 m . . . . . 0 N--CA 1.465 0.281 0 CA-C-O 120.542 0.21 . . . . 0.0 110.609 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.616 HG23 ' HB ' ' A' ' 10' ' ' ILE . 66.5 p -62.75 162.12 11.38 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.418 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.56 ' HD2' ' C ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -84.98 32.01 0.54 Allowed 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.52 178.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.702 ' C ' HD12 ' A' ' 7' ' ' ILE . 89.6 p -115.28 -172.69 2.18 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.761 0.315 . . . . 0.0 110.863 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.702 HD12 ' C ' ' A' ' 6' ' ' SER . 3.9 mp -143.04 116.33 6.11 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.446 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -72.95 138.92 58.29 Favored 'Cis proline' 0 C--N 1.349 0.57 0 C-N-CA 123.548 -1.438 . . . . 0.0 112.058 -0.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.587 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 22.9 Cg_endo -61.88 130.58 31.59 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.688 2.258 . . . . 0.0 112.181 179.756 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.616 ' HB ' HG23 ' A' ' 4' ' ' THR . 29.3 mm -79.44 100.23 3.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.494 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 79.7 m . . . . . 0 CA--C 1.531 0.213 0 CA-C-O 121.011 0.434 . . . . 0.0 111.596 -179.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.625 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 59.4 m . . . . . 0 N--CA 1.465 0.293 0 CA-C-O 120.531 0.205 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.668 HG23 ' HB ' ' A' ' 10' ' ' ILE . 72.7 p -67.35 -175.69 0.51 Allowed 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.924 0.392 . . . . 0.0 111.426 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.704 ' HD3' ' N ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -103.29 43.32 1.09 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.15 0.5 . . . . 0.0 110.656 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.758 ' C ' HD12 ' A' ' 7' ' ' ILE . 81.3 p -130.82 -179.09 5.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.758 HD12 ' C ' ' A' ' 6' ' ' SER . 3.6 mp -140.63 116.28 7.59 Favored Pre-proline 0 C--O 1.233 0.212 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.649 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -70.82 136.98 43.78 Favored 'Cis proline' 0 C--N 1.349 0.573 0 C-N-CA 123.398 -1.501 . . . . 0.0 112.229 -0.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.625 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 28.1 Cg_endo -63.41 136.15 53.49 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.802 2.335 . . . . 0.0 112.126 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.668 ' HB ' HG23 ' A' ' 4' ' ' THR . 33.9 mm -78.43 97.63 2.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.154 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 76.8 m . . . . . 0 C--N 1.331 -0.218 0 CA-C-O 121.141 0.496 . . . . 0.0 111.813 -178.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.601 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 60.4 m . . . . . 0 N--CA 1.465 0.305 0 CA-C-O 120.579 0.228 . . . . 0.0 110.808 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.671 HG23 ' HB ' ' A' ' 10' ' ' ILE . 72.7 p -67.14 -175.78 0.48 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.931 0.396 . . . . 0.0 111.483 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.712 ' HD3' ' N ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -103.29 43.27 1.09 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.669 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.76 ' C ' HD12 ' A' ' 7' ' ' ILE . 80.6 p -130.38 -179.48 5.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.003 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.76 HD12 ' C ' ' A' ' 6' ' ' SER . 3.6 mp -140.8 116.32 7.47 Favored Pre-proline 0 C--O 1.233 0.218 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.613 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -70.28 137.01 42.75 Favored 'Cis proline' 0 C--N 1.349 0.565 0 C-N-CA 123.461 -1.475 . . . . 0.0 112.213 -0.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.601 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 27.7 Cg_endo -63.1 136.1 54.47 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.769 2.313 . . . . 0.0 112.211 179.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.671 ' HB ' HG23 ' A' ' 4' ' ' THR . 32.7 mm -78.36 96.64 1.99 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.049 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 74.0 m . . . . . 0 C--N 1.331 -0.228 0 CA-C-O 121.085 0.469 . . . . 0.0 111.916 -178.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.658 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 46.3 m . . . . . 0 C--O 1.233 0.215 0 CA-C-O 120.577 0.227 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.667 HG23 ' HB ' ' A' ' 10' ' ' ILE . 43.0 p -71.11 -167.43 0.22 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.913 0.387 . . . . 0.0 111.535 -179.628 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.614 ' HD2' ' N ' ' A' ' 5' ' ' LYS . 1.2 mptp? -107.15 38.96 1.98 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.683 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.762 ' C ' HD12 ' A' ' 7' ' ' ILE . 81.0 p -123.54 -178.46 4.02 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.812 0.339 . . . . 0.0 111.159 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.762 HD12 ' C ' ' A' ' 6' ' ' SER . 3.6 mp -140.69 114.58 7.27 Favored Pre-proline 0 C--O 1.233 0.2 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.758 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -70.19 140.26 60.81 Favored 'Cis proline' 0 C--N 1.348 0.518 0 C-N-CA 123.469 -1.471 . . . . 0.0 112.223 -0.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.658 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 25.6 Cg_endo -61.89 135.26 54.61 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.766 2.311 . . . . 0.0 112.366 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.667 ' HB ' HG23 ' A' ' 4' ' ' THR . 25.1 mm -78.9 97.31 2.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.085 179.427 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.467 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 63.0 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.16 -179.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.517 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 78.3 m . . . . . 0 N--CA 1.467 0.392 0 N-CA-C 110.353 -0.239 . . . . 0.0 110.353 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.581 HG23 ' HB ' ' A' ' 10' ' ' ILE . 48.6 p -65.47 165.78 11.47 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.866 179.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.564 ' H ' ' HD3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -89.62 29.87 1.09 Allowed 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.425 179.445 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.759 ' C ' HD12 ' A' ' 7' ' ' ILE . 98.2 p -111.47 -175.41 2.69 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.885 179.578 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.759 HD12 ' C ' ' A' ' 6' ' ' SER . 3.6 mp -140.86 116.26 7.42 Favored Pre-proline 0 CA--C 1.531 0.23 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.952 179.747 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -72.63 139.25 59.7 Favored 'Cis proline' 0 C--N 1.349 0.592 0 C-N-CA 123.487 -1.464 . . . . 0.0 112.079 -0.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.49 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 20.5 Cg_endo -61.73 131.23 34.48 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.649 2.233 . . . . 0.0 112.46 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.581 ' HB ' HG23 ' A' ' 4' ' ' THR . 30.1 mm -79.23 98.94 3.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 178.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.517 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 75.3 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 121.027 0.441 . . . . 0.0 112.082 -178.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.755 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 31.8 m . . . . . 0 N--CA 1.463 0.213 0 CA-C-O 120.63 0.252 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.672 HG23 ' HB ' ' A' ' 10' ' ' ILE . 52.1 p -68.41 -164.17 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.881 0.372 . . . . 0.0 111.57 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.651 ' HD2' ' N ' ' A' ' 5' ' ' LYS . 1.9 mptp? -111.7 46.84 1.08 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.618 -179.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.765 ' C ' HD12 ' A' ' 7' ' ' ILE . 80.6 p -137.65 -177.89 5.0 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.979 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.765 HD12 ' C ' ' A' ' 6' ' ' SER . 3.6 mp -140.47 116.27 7.71 Favored Pre-proline 0 CA--C 1.53 0.2 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.709 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo -71.01 136.52 41.87 Favored 'Cis proline' 0 C--N 1.35 0.609 0 C-N-CA 123.43 -1.488 . . . . 0.0 112.238 -0.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.755 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 30.7 Cg_endo -64.53 136.56 50.87 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.738 2.292 . . . . 0.0 112.215 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.672 ' HB ' HG23 ' A' ' 4' ' ' THR . 29.0 mm -78.73 98.66 2.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 179.44 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.529 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 64.1 m . . . . . 0 C--N 1.332 -0.188 0 CA-C-O 121.057 0.455 . . . . 0.0 111.511 -179.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.584 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 58.0 m . . . . . 0 N--CA 1.466 0.346 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.588 HG23 ' HB ' ' A' ' 10' ' ' ILE . 32.2 p -64.96 -174.39 0.14 Allowed 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.964 0.411 . . . . 0.0 111.855 -179.084 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.666 ' HD2' ' N ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -105.69 43.43 1.13 Allowed 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.606 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.775 ' C ' HD12 ' A' ' 7' ' ' ILE . 79.9 p -128.69 -178.63 4.67 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.782 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.775 HD12 ' C ' ' A' ' 6' ' ' SER . 3.5 mp -139.5 115.13 8.21 Favored Pre-proline 0 CA--C 1.53 0.189 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.731 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -72.35 137.62 49.73 Favored 'Cis proline' 0 C--N 1.349 0.553 0 C-N-CA 123.638 -1.401 . . . . 0.0 112.335 -0.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.584 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 18.2 Cg_endo -61.58 134.29 50.25 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 122.835 2.357 . . . . 0.0 112.604 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.588 ' HB ' HG23 ' A' ' 4' ' ' THR . 27.8 mm -80.21 107.35 12.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 178.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.493 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 86.4 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 121.125 0.488 . . . . 0.0 112.194 -178.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.63 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 56.3 m . . . . . 0 N--CA 1.466 0.347 0 CA-C-O 120.727 0.298 . . . . 0.0 111.123 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.574 HG23 ' HB ' ' A' ' 10' ' ' ILE . 53.8 p -62.03 161.14 11.26 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.963 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.413 ' HD2' ' C ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -84.91 32.97 0.52 Allowed 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 179.551 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.752 ' C ' HD12 ' A' ' 7' ' ' ILE . 93.7 p -115.59 -176.44 2.93 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.762 0.315 . . . . 0.0 110.858 179.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.752 HD12 ' C ' ' A' ' 6' ' ' SER . 3.7 mp -141.68 116.74 6.98 Favored Pre-proline 0 CA--C 1.53 0.197 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.625 179.603 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_exo -71.5 137.06 45.29 Favored 'Cis proline' 0 C--N 1.349 0.599 0 C-N-CA 123.549 -1.438 . . . . 0.0 112.267 -0.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.63 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 22.2 Cg_endo -62.71 131.86 35.12 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.754 2.303 . . . . 0.0 112.476 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.574 ' HB ' HG23 ' A' ' 4' ' ' THR . 21.1 mm -79.79 105.01 8.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 73.4 m . . . . . 0 C--N 1.328 -0.343 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -178.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.284 0 N-CA-C 112.606 -0.198 . . . . 0.0 112.606 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.563 ' HG2' ' HB2' ' A' ' 12' ' ' PHE . 38.4 ptt180 -76.66 131.3 38.75 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.464 0.173 . . . . 0.0 110.692 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.594 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 59.1 m -117.22 136.12 53.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.676 0.274 . . . . 0.0 111.27 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.641 HG23 ' HB ' ' A' ' 10' ' ' ILE . 67.7 p -67.83 161.26 26.64 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.132 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.457 ' H ' ' CD ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -81.04 27.66 0.39 Allowed 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 116.119 -0.492 . . . . 0.0 112.044 179.751 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.757 ' C ' HD12 ' A' ' 7' ' ' ILE . 91.1 p -109.69 -177.35 3.25 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.756 0.312 . . . . 0.0 110.998 179.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.757 HD12 ' C ' ' A' ' 6' ' ' SER . 3.7 mp -141.38 115.9 7.03 Favored Pre-proline 0 CA--C 1.531 0.215 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.551 179.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_exo -70.91 138.93 54.95 Favored 'Cis proline' 0 C--N 1.349 0.587 0 C-N-CA 123.517 -1.451 . . . . 0.0 112.271 -0.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.594 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 26.7 Cg_endo -62.68 133.93 44.74 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.799 2.333 . . . . 0.0 112.336 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.641 ' HB ' HG23 ' A' ' 4' ' ' THR . 28.1 mm -78.8 98.13 2.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 179.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.444 ' HA ' ' O ' ' A' ' 2' ' ' ARG . 73.9 m -88.76 116.67 27.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.222 0.534 . . . . 0.0 112.113 -178.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.563 ' HB2' ' HG2' ' A' ' 2' ' ' ARG . 5.6 m-85 -94.44 145.15 29.17 Favored Pre-proline 0 C--O 1.235 0.333 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.162 179.016 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -50.93 -34.14 44.69 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 123.256 2.637 . . . . 0.0 113.057 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 37.0 t70 . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.108 -0.949 . . . . 0.0 110.82 -179.991 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.317 0 CA-C-O 120.317 -0.157 . . . . 0.0 112.846 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.52 ' CG ' ' HB2' ' A' ' 12' ' ' PHE . 17.0 ptm180 -76.28 159.44 30.59 Favored 'General case' 0 N--CA 1.462 0.143 0 N-CA-C 110.37 -0.233 . . . . 0.0 110.37 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.617 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 57.6 m -154.61 138.58 16.36 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.159 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.559 HG23 ' HB ' ' A' ' 10' ' ' ILE . 47.8 p -66.64 160.91 24.45 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.41 ' H ' ' HD2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -81.78 26.2 0.51 Allowed 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 179.776 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.755 ' C ' HD12 ' A' ' 7' ' ' ILE . 89.7 p -105.65 -176.96 3.23 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.77 0.319 . . . . 0.0 110.939 179.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.755 HD12 ' C ' ' A' ' 6' ' ' SER . 3.7 mp -141.57 115.25 6.81 Favored Pre-proline 0 CA--C 1.53 0.195 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.698 179.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_exo -70.66 139.96 60.42 Favored 'Cis proline' 0 C--N 1.349 0.604 0 C-N-CA 123.647 -1.397 . . . . 0.0 112.209 -0.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.617 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 25.0 Cg_endo -62.88 132.17 36.03 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.767 2.311 . . . . 0.0 112.495 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.559 ' HB ' HG23 ' A' ' 4' ' ' THR . 17.1 mm -79.52 102.99 5.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.51 ' HA ' ' O ' ' A' ' 2' ' ' ARG . 74.1 m -89.12 134.67 33.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.104 0.478 . . . . 0.0 112.146 -178.515 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.52 ' HB2' ' CG ' ' A' ' 2' ' ' ARG . 17.0 m-85 -121.78 155.88 59.71 Favored Pre-proline 0 C--O 1.236 0.362 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.056 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.431 ' HD2' ' HB3' ' A' ' 12' ' ' PHE . 11.3 Cg_endo -55.34 -28.26 62.01 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 123.377 2.718 . . . . 0.0 112.806 179.163 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.501 ' HB2' ' CD ' ' A' ' 2' ' ' ARG . 50.7 m-20 . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.36 -0.829 . . . . 0.0 111.851 -179.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 CA-C-O 120.31 -0.161 . . . . 0.0 112.951 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.512 ' HG2' ' HB2' ' A' ' 12' ' ' PHE . 38.1 ptt180 -77.65 130.1 36.42 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.769 0.285 . . . . 0.0 110.519 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.565 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 59.5 m -116.62 142.36 46.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.672 0.273 . . . . 0.0 111.14 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.612 HG23 ' HB ' ' A' ' 10' ' ' ILE . 70.4 p -67.47 -165.34 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.226 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.515 ' H ' ' HD3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -117.14 45.43 1.88 Allowed 'General case' 0 C--O 1.233 0.237 0 CA-C-O 121.246 0.546 . . . . 0.0 110.419 179.184 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.879 ' O ' HD13 ' A' ' 7' ' ' ILE . 79.5 p -133.41 176.31 8.64 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.184 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.879 HD13 ' O ' ' A' ' 6' ' ' SER . 10.3 mm -129.28 114.46 18.44 Favored Pre-proline 0 CA--C 1.53 0.197 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.037 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -76.49 142.54 73.43 Favored 'Cis proline' 0 C--N 1.349 0.56 0 C-N-CA 123.569 -1.43 . . . . 0.0 111.972 -0.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.565 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 27.1 Cg_endo -63.82 135.17 47.0 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.639 2.226 . . . . 0.0 112.483 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.612 ' HB ' HG23 ' A' ' 4' ' ' THR . 32.2 mm -79.19 100.96 4.16 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.492 ' HA ' ' O ' ' A' ' 2' ' ' ARG . 85.9 m -91.82 120.11 32.23 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.097 0.475 . . . . 0.0 111.716 -178.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.512 ' HB2' ' HG2' ' A' ' 2' ' ' ARG . 5.0 m-85 -96.63 145.03 28.86 Favored Pre-proline 0 C--O 1.236 0.363 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.68 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -56.14 -26.63 61.27 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 123.206 2.604 . . . . 0.0 112.915 179.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.0 t70 . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.122 -0.942 . . . . 0.0 111.007 -179.892 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.215 0 N-CA-C 112.546 -0.222 . . . . 0.0 112.546 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.624 ' HG2' ' HB2' ' A' ' 12' ' ' PHE . 8.9 ptp180 -74.69 132.91 42.06 Favored 'General case' 0 C--O 1.222 -0.382 0 N-CA-C 110.453 -0.202 . . . . 0.0 110.453 179.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.54 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 61.6 m -118.26 137.9 52.72 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.672 0.272 . . . . 0.0 110.667 179.508 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.656 HG23 ' HB ' ' A' ' 10' ' ' ILE . 55.9 p -67.19 -160.61 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.704 -179.431 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.656 ' HD2' ' N ' ' A' ' 5' ' ' LYS . 5.5 mptt -116.94 44.77 1.99 Allowed 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 121.003 0.43 . . . . 0.0 110.607 -179.348 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.748 ' C ' HD12 ' A' ' 7' ' ' ILE . 81.0 p -133.17 -177.89 4.72 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.0 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.748 HD12 ' C ' ' A' ' 6' ' ' SER . 3.6 mp -140.43 115.44 7.59 Favored Pre-proline 0 CA--C 1.531 0.227 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.678 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.403 ' HA ' ' HA ' ' A' ' 7' ' ' ILE . 9.1 Cg_exo -71.06 137.96 49.81 Favored 'Cis proline' 0 C--N 1.349 0.593 0 C-N-CA 123.447 -1.48 . . . . 0.0 112.198 -0.295 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.54 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 26.3 Cg_endo -62.39 136.99 62.53 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.833 2.356 . . . . 0.0 112.261 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.656 ' HB ' HG23 ' A' ' 4' ' ' THR . 33.8 mm -78.34 96.84 2.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.108 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.577 ' HA ' ' O ' ' A' ' 2' ' ' ARG . 82.6 m -91.41 115.57 28.14 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 121.029 0.443 . . . . 0.0 111.905 -178.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.624 ' HB2' ' HG2' ' A' ' 2' ' ' ARG . 4.8 m-85 -89.84 143.19 29.79 Favored Pre-proline 0 C--O 1.237 0.402 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.095 179.211 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -49.04 -34.28 29.12 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 123.259 2.64 . . . . 0.0 113.022 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.9 t70 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.469 -0.777 . . . . 0.0 110.586 179.924 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 CA-C-O 120.362 -0.132 . . . . 0.0 112.874 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.582 ' CD ' ' HB3' ' A' ' 14' ' ' ASP . 17.4 ptm180 -83.41 159.21 21.84 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.715 0.293 . . . . 0.0 111.088 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.559 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 64.5 m -153.57 141.47 20.18 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.499 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.619 HG23 ' HB ' ' A' ' 10' ' ' ILE . 69.3 p -67.89 -169.21 0.12 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.849 0.357 . . . . 0.0 111.502 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.633 ' HD2' ' N ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -109.55 45.7 1.06 Allowed 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.713 -179.767 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.74 ' C ' HD12 ' A' ' 7' ' ' ILE . 79.3 p -134.47 -178.73 5.19 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.037 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.74 HD12 ' C ' ' A' ' 6' ' ' SER . 3.6 mp -140.46 116.06 7.68 Favored Pre-proline 0 CA--C 1.531 0.224 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.641 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -70.76 136.78 42.65 Favored 'Cis proline' 0 C--N 1.349 0.568 0 C-N-CA 123.477 -1.468 . . . . 0.0 112.196 -0.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.559 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 26.5 Cg_endo -63.11 136.29 55.45 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.751 2.301 . . . . 0.0 112.208 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.619 ' HB ' HG23 ' A' ' 4' ' ' THR . 25.8 mm -78.42 96.56 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.5 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 73.5 m -88.98 129.51 35.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.305 -178.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.565 ' HB2' ' CG ' ' A' ' 2' ' ' ARG . 12.7 m-85 -112.43 153.59 44.81 Favored Pre-proline 0 C--O 1.235 0.33 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.894 179.018 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -73.02 32.31 0.3 Allowed 'Trans proline' 0 N--CA 1.478 0.591 0 C-N-CA 123.133 2.555 . . . . 0.0 114.076 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.582 ' HB3' ' CD ' ' A' ' 2' ' ' ARG . 36.1 t70 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.14 -0.934 . . . . 0.0 111.122 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.237 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.485 ' CG ' ' HB2' ' A' ' 12' ' ' PHE . 7.0 ptm180 -82.37 158.83 23.2 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 110.37 -0.233 . . . . 0.0 110.37 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.543 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 61.8 m -153.59 138.31 17.01 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.978 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.553 HG23 ' HB ' ' A' ' 10' ' ' ILE . 55.5 p -67.82 162.84 23.12 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.112 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.94 11.82 3.1 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 179.183 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.765 ' C ' HD12 ' A' ' 7' ' ' ILE . 92.4 p -91.5 -178.45 5.1 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.91 0.386 . . . . 0.0 111.109 179.442 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.765 HD12 ' C ' ' A' ' 6' ' ' SER . 3.6 mp -143.29 116.7 6.05 Favored Pre-proline 0 CA--C 1.531 0.228 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.429 179.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -68.66 138.04 44.05 Favored 'Cis proline' 0 C--N 1.349 0.58 0 C-N-CA 123.528 -1.447 . . . . 0.0 112.208 -0.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.543 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 20.9 Cg_endo -61.46 132.6 41.57 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.813 2.342 . . . . 0.0 112.521 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.553 ' HB ' HG23 ' A' ' 4' ' ' THR . 18.7 mm -79.24 100.1 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 178.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.495 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 72.3 m -88.76 132.36 34.65 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -178.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.485 ' HB2' ' CG ' ' A' ' 2' ' ' ARG . 16.4 m-85 -118.52 153.96 52.18 Favored Pre-proline 0 C--O 1.237 0.397 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.513 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_endo -56.95 -27.69 74.34 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 123.081 2.521 . . . . 0.0 112.789 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.435 ' HB3' ' HD2' ' A' ' 2' ' ' ARG . 31.0 t70 . . . . . 0 C--O 1.251 1.132 0 CA-C-O 118.831 -0.604 . . . . 0.0 110.95 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.29 0 N-CA-C 112.682 -0.167 . . . . 0.0 112.682 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.45 ' O ' ' HA ' ' A' ' 11' ' ' CYS . 22.8 ptt180 -68.7 121.22 16.02 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.84 0.352 . . . . 0.0 111.172 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.653 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 54.3 m -104.18 135.05 46.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.718 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.63 HG23 ' HB ' ' A' ' 10' ' ' ILE . 49.0 p -65.44 179.05 0.83 Allowed 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.991 0.424 . . . . 0.0 111.545 -179.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp -99.83 40.23 1.25 Allowed 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.485 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.678 ' C ' HD12 ' A' ' 7' ' ' ILE . 89.6 p -123.85 -176.2 3.41 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.804 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.678 HD12 ' C ' ' A' ' 6' ' ' SER . 3.3 mp -139.72 114.16 7.9 Favored Pre-proline 0 CA--C 1.53 0.208 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.698 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -73.65 141.14 70.87 Favored 'Cis proline' 0 C--N 1.348 0.52 0 C-N-CA 123.683 -1.382 . . . . 0.0 112.299 -0.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.653 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 25.9 Cg_endo -62.77 134.26 46.1 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.846 2.364 . . . . 0.0 112.454 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.63 ' HB ' HG23 ' A' ' 4' ' ' THR . 27.7 mm -81.57 99.24 4.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.225 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 64.0 m -86.67 105.11 16.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.998 0.428 . . . . 0.0 111.286 -179.337 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.409 ' HB2' ' HG3' ' A' ' 2' ' ' ARG . 40.2 m-85 -87.88 147.35 40.84 Favored Pre-proline 0 C--O 1.232 0.171 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.664 179.679 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -54.1 -30.65 61.3 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.929 2.419 . . . . 0.0 112.311 178.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.4 t70 . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.371 -0.823 . . . . 0.0 110.867 179.769 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.3 0 N-CA-C 112.579 -0.208 . . . . 0.0 112.579 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.534 ' CG ' ' HB2' ' A' ' 12' ' ' PHE . 7.5 ptm180 -78.07 161.23 27.58 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-O 120.495 0.188 . . . . 0.0 110.516 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.589 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 58.8 m -153.26 144.04 22.76 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.69 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.608 HG23 ' HB ' ' A' ' 10' ' ' ILE . 59.8 p -67.84 -160.51 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.596 -179.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.662 ' HD2' ' N ' ' A' ' 5' ' ' LYS . 5.5 mptt -117.39 45.92 1.81 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.973 0.416 . . . . 0.0 110.633 -179.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.738 ' C ' HD12 ' A' ' 7' ' ' ILE . 79.1 p -135.84 -178.26 5.05 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.044 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.738 HD12 ' C ' ' A' ' 6' ' ' SER . 3.6 mp -140.43 116.01 7.69 Favored Pre-proline 0 C--O 1.233 0.192 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.685 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -70.71 136.57 41.46 Favored 'Cis proline' 0 C--N 1.349 0.555 0 C-N-CA 123.469 -1.471 . . . . 0.0 112.244 -0.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.589 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 26.7 Cg_endo -63.21 136.9 58.26 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.751 2.3 . . . . 0.0 112.227 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.608 ' HB ' HG23 ' A' ' 4' ' ' THR . 23.0 mm -78.68 97.8 2.44 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 178.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.508 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 76.6 m -89.18 131.22 35.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.128 0.49 . . . . 0.0 112.268 -178.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.534 ' HB2' ' CG ' ' A' ' 2' ' ' ARG . 5.3 m-85 -113.69 153.78 45.84 Favored Pre-proline 0 C--O 1.236 0.39 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.71 179.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -53.82 -29.01 50.72 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 123.367 2.711 . . . . 0.0 113.294 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.524 ' HB3' ' HD2' ' A' ' 2' ' ' ARG . 42.0 t0 . . . . . 0 C--O 1.252 1.188 0 CA-C-O 118.986 -0.53 . . . . 0.0 110.912 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.241 0 N-CA-C 112.556 -0.218 . . . . 0.0 112.556 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.536 ' HG3' ' HB2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -77.02 116.86 18.05 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.857 0.36 . . . . 0.0 110.852 179.869 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.676 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 41.9 m -100.92 138.48 37.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.656 HG23 ' HB ' ' A' ' 10' ' ' ILE . 56.9 p -63.18 162.09 12.46 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.982 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.586 ' H ' ' HD3' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -87.12 38.83 0.83 Allowed 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 179.266 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.737 ' C ' HD12 ' A' ' 7' ' ' ILE . 88.9 p -124.94 -174.24 2.99 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.848 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.737 HD12 ' C ' ' A' ' 6' ' ' SER . 3.7 mp -140.27 116.92 7.97 Favored Pre-proline 0 CA--C 1.531 0.236 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.627 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -73.91 137.16 48.33 Favored 'Cis proline' 0 C--N 1.35 0.619 0 C-N-CA 123.612 -1.412 . . . . 0.0 112.262 -0.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.676 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 23.5 Cg_endo -62.87 129.92 27.62 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.673 2.249 . . . . 0.0 112.38 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.656 ' HB ' HG23 ' A' ' 4' ' ' THR . 35.1 mm -80.16 103.28 6.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 179.211 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.539 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 69.1 m -87.01 115.16 24.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.969 0.414 . . . . 0.0 111.388 -179.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.536 ' HB2' ' HG3' ' A' ' 2' ' ' ARG . 19.5 m-85 -96.4 148.28 34.24 Favored Pre-proline 0 C--O 1.234 0.258 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.9 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -54.69 -31.63 72.12 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 123.072 2.515 . . . . 0.0 112.375 179.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.415 ' HB3' ' CZ ' ' A' ' 2' ' ' ARG . 37.8 t0 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.336 -0.84 . . . . 0.0 110.747 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.233 0 CA-C-O 120.226 -0.208 . . . . 0.0 112.902 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.521 ' O ' ' HA ' ' A' ' 11' ' ' CYS . 31.4 ptt180 -78.96 125.88 29.96 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 116.839 0.319 . . . . 0.0 110.616 179.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.641 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 58.2 m -109.53 134.77 51.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.624 0.249 . . . . 0.0 111.038 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.617 HG23 ' HB ' ' A' ' 10' ' ' ILE . 65.6 p -68.39 166.09 17.42 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.985 0.421 . . . . 0.0 111.372 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.22 -5.44 51.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.081 179.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.719 ' C ' HD12 ' A' ' 7' ' ' ILE . 99.3 p -77.54 -179.24 5.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.011 0.434 . . . . 0.0 111.717 -179.391 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.719 HD12 ' C ' ' A' ' 6' ' ' SER . 3.5 mp -139.87 116.19 8.14 Favored Pre-proline 0 CA--C 1.53 0.209 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.628 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_exo -71.39 139.85 61.32 Favored 'Cis proline' 0 C--N 1.349 0.577 0 C-N-CA 123.45 -1.479 . . . . 0.0 112.284 -0.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.641 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 21.9 Cg_endo -61.55 133.56 46.33 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.974 2.449 . . . . 0.0 111.85 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.617 ' HB ' HG23 ' A' ' 4' ' ' THR . 29.7 mm -79.17 100.62 3.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 179.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.521 ' HA ' ' O ' ' A' ' 2' ' ' ARG . 86.1 m -87.67 103.21 15.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.959 0.409 . . . . 0.0 111.208 -179.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.406 ' HB2' ' CG ' ' A' ' 2' ' ' ARG . 31.8 m-85 -83.38 145.05 47.52 Favored Pre-proline 0 C--O 1.233 0.223 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.775 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -57.48 -23.29 55.14 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 123.067 2.511 . . . . 0.0 113.101 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.6 t70 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.082 -0.961 . . . . 0.0 110.874 -179.86 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.264 0 N-CA-C 112.797 -0.121 . . . . 0.0 112.797 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.636 ' HG2' ' HB2' ' A' ' 12' ' ' PHE . 11.6 ptp180 -74.88 135.76 41.51 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 110.305 -0.258 . . . . 0.0 110.305 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.506 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 67.6 m -122.73 132.51 54.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.676 0.274 . . . . 0.0 110.873 179.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.3 p -66.39 162.11 21.14 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.357 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.546 ' H ' ' HD2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -82.88 26.95 0.56 Allowed 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.044 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.747 ' C ' HD12 ' A' ' 7' ' ' ILE . 85.0 p -104.69 -178.64 3.71 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.775 0.322 . . . . 0.0 110.832 179.264 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.747 HD12 ' C ' ' A' ' 6' ' ' SER . 3.6 mp -140.49 114.72 7.43 Favored Pre-proline 0 CA--C 1.53 0.204 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.734 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -72.16 140.35 65.43 Favored 'Cis proline' 0 C--N 1.349 0.572 0 C-N-CA 123.693 -1.378 . . . . 0.0 112.222 -0.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.506 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 22.0 Cg_endo -62.87 131.06 31.44 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 122.611 2.208 . . . . 0.0 112.761 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.502 ' N ' HD12 ' A' ' 10' ' ' ILE . 1.2 mp -81.08 105.75 11.39 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.367 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 178.334 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.565 ' HA ' ' O ' ' A' ' 2' ' ' ARG . 70.5 m -93.14 125.56 37.8 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.092 -178.533 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.636 ' HB2' ' HG2' ' A' ' 2' ' ' ARG . 2.0 m-85 -98.52 143.48 26.39 Favored Pre-proline 0 C--O 1.238 0.449 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.873 179.019 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -51.04 -32.42 38.81 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 123.191 2.594 . . . . 0.0 112.829 179.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.3 t70 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.381 -0.819 . . . . 0.0 110.946 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.258 0 N-CA-C 112.615 -0.194 . . . . 0.0 112.615 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.546 ' HG2' ' HB2' ' A' ' 12' ' ' PHE . 38.0 ptt180 -76.05 131.6 39.6 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.502 0.191 . . . . 0.0 110.772 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.544 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 60.9 m -117.79 135.64 53.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.66 0.267 . . . . 0.0 111.122 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.62 HG23 ' HB ' ' A' ' 10' ' ' ILE . 60.6 p -66.53 159.38 27.45 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.804 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.445 ' H ' ' HD2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -82.48 30.84 0.41 Allowed 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.8 179.863 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.743 ' C ' HD12 ' A' ' 7' ' ' ILE . 97.2 p -112.76 -175.75 2.75 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.822 0.344 . . . . 0.0 110.877 179.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.743 HD12 ' C ' ' A' ' 6' ' ' SER . 3.7 mp -141.5 116.4 7.04 Favored Pre-proline 0 CA--C 1.53 0.198 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.548 179.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -72.22 138.09 52.28 Favored 'Cis proline' 0 C--N 1.35 0.612 0 C-N-CA 123.531 -1.446 . . . . 0.0 112.224 -0.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.544 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 25.1 Cg_endo -62.7 132.87 39.47 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.881 2.388 . . . . 0.0 112.362 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.62 ' HB ' HG23 ' A' ' 4' ' ' THR . 30.5 mm -79.17 99.56 3.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 178.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 2' ' ' ARG . 73.8 m -89.79 117.13 28.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.179 0.514 . . . . 0.0 112.071 -178.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.546 ' HB2' ' HG2' ' A' ' 2' ' ' ARG . 7.7 m-85 -95.93 144.94 28.68 Favored Pre-proline 0 C--O 1.235 0.328 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.226 179.208 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -51.32 -33.39 45.5 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 123.294 2.663 . . . . 0.0 113.03 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.6 t70 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.519 -0.753 . . . . 0.0 110.837 -179.895 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.218 0 N-CA-C 112.375 -0.29 . . . . 0.0 112.375 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.626 ' O ' ' HA ' ' A' ' 11' ' ' CYS . 8.3 ptp180 -68.26 128.37 36.31 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 179.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.587 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 62.8 m -114.98 130.36 56.91 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.542 0.21 . . . . 0.0 110.609 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.616 HG23 ' HB ' ' A' ' 10' ' ' ILE . 66.5 p -62.75 162.12 11.38 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.418 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.56 ' HD2' ' C ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -84.98 32.01 0.54 Allowed 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.52 178.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.702 ' C ' HD12 ' A' ' 7' ' ' ILE . 89.6 p -115.28 -172.69 2.18 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.761 0.315 . . . . 0.0 110.863 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.702 HD12 ' C ' ' A' ' 6' ' ' SER . 3.9 mp -143.04 116.33 6.11 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.446 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -72.95 138.92 58.29 Favored 'Cis proline' 0 C--N 1.349 0.57 0 C-N-CA 123.548 -1.438 . . . . 0.0 112.058 -0.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.587 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 22.9 Cg_endo -61.88 130.58 31.59 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.688 2.258 . . . . 0.0 112.181 179.756 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.616 ' HB ' HG23 ' A' ' 4' ' ' THR . 29.3 mm -79.44 100.23 3.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.494 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.626 ' HA ' ' O ' ' A' ' 2' ' ' ARG . 79.7 m -88.37 104.7 17.01 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 121.011 0.434 . . . . 0.0 111.596 -179.096 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.555 ' HB2' ' HG2' ' A' ' 2' ' ' ARG . 28.6 m-85 -85.94 146.03 42.35 Favored Pre-proline 0 C--O 1.234 0.258 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.899 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -59.39 -25.17 77.56 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 123.095 2.53 . . . . 0.0 113.146 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.6 t70 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.105 -0.95 . . . . 0.0 110.701 179.911 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.222 0 N-CA-C 112.646 -0.182 . . . . 0.0 112.646 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.519 ' HG2' ' HB2' ' A' ' 12' ' ' PHE . 37.2 ptt180 -77.96 130.32 36.4 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-O 120.543 0.211 . . . . 0.0 110.799 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.625 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 59.4 m -113.5 138.65 49.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.712 -0.222 . . . . 0.0 110.928 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.668 HG23 ' HB ' ' A' ' 10' ' ' ILE . 72.7 p -67.35 -175.69 0.51 Allowed 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.924 0.392 . . . . 0.0 111.426 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.704 ' HD3' ' N ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -103.29 43.32 1.09 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.15 0.5 . . . . 0.0 110.656 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.758 ' C ' HD12 ' A' ' 7' ' ' ILE . 81.3 p -130.82 -179.09 5.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.758 HD12 ' C ' ' A' ' 6' ' ' SER . 3.6 mp -140.63 116.28 7.59 Favored Pre-proline 0 C--O 1.233 0.212 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.649 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -70.82 136.98 43.78 Favored 'Cis proline' 0 C--N 1.349 0.573 0 C-N-CA 123.398 -1.501 . . . . 0.0 112.229 -0.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.625 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 28.1 Cg_endo -63.41 136.15 53.49 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.802 2.335 . . . . 0.0 112.126 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.668 ' HB ' HG23 ' A' ' 4' ' ' THR . 33.9 mm -78.43 97.63 2.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.154 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 2' ' ' ARG . 76.8 m -89.58 113.52 24.96 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.141 0.496 . . . . 0.0 111.813 -178.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.519 ' HB2' ' HG2' ' A' ' 2' ' ' ARG . 11.5 m-85 -89.8 145.94 34.38 Favored Pre-proline 0 C--O 1.235 0.311 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.259 179.247 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -50.71 -34.28 43.4 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 123.325 2.683 . . . . 0.0 113.064 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.6 t70 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.141 -0.933 . . . . 0.0 110.874 -179.885 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 N-CA-C 112.612 -0.195 . . . . 0.0 112.612 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.485 ' CG ' ' HB2' ' A' ' 12' ' ' PHE . 38.1 ptt180 -81.04 132.05 35.34 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-O 120.472 0.177 . . . . 0.0 111.038 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.601 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 60.4 m -117.52 139.2 51.26 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.691 -0.231 . . . . 0.0 110.808 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.671 HG23 ' HB ' ' A' ' 10' ' ' ILE . 72.7 p -67.14 -175.78 0.48 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.931 0.396 . . . . 0.0 111.483 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.712 ' HD3' ' N ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -103.29 43.27 1.09 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.669 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.76 ' C ' HD12 ' A' ' 7' ' ' ILE . 80.6 p -130.38 -179.48 5.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.003 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.76 HD12 ' C ' ' A' ' 6' ' ' SER . 3.6 mp -140.8 116.32 7.47 Favored Pre-proline 0 C--O 1.233 0.218 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.613 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -70.28 137.01 42.75 Favored 'Cis proline' 0 C--N 1.349 0.565 0 C-N-CA 123.461 -1.475 . . . . 0.0 112.213 -0.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.601 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 27.7 Cg_endo -63.1 136.1 54.47 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.769 2.313 . . . . 0.0 112.211 179.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.671 ' HB ' HG23 ' A' ' 4' ' ' THR . 32.7 mm -78.36 96.64 1.99 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.049 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 2' ' ' ARG . 74.0 m -89.18 116.62 27.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.085 0.469 . . . . 0.0 111.916 -178.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.485 ' HB2' ' CG ' ' A' ' 2' ' ' ARG . 8.5 m-85 -92.27 142.81 26.54 Favored Pre-proline 0 C--O 1.235 0.292 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.047 179.121 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -50.56 -38.48 54.76 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 123.364 2.709 . . . . 0.0 113.055 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.139 -0.934 . . . . 0.0 110.906 -179.796 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.271 0 CA-C-O 120.205 -0.22 . . . . 0.0 112.83 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.519 ' O ' ' HA ' ' A' ' 11' ' ' CYS . 30.0 ptt180 -70.83 124.27 23.93 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.804 0.302 . . . . 0.0 110.684 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.658 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 46.3 m -108.57 139.52 43.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.082 -179.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.667 HG23 ' HB ' ' A' ' 10' ' ' ILE . 43.0 p -71.11 -167.43 0.22 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.913 0.387 . . . . 0.0 111.535 -179.628 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.614 ' HD2' ' N ' ' A' ' 5' ' ' LYS . 1.2 mptp? -107.15 38.96 1.98 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.683 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.762 ' C ' HD12 ' A' ' 7' ' ' ILE . 81.0 p -123.54 -178.46 4.02 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.812 0.339 . . . . 0.0 111.159 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.762 HD12 ' C ' ' A' ' 6' ' ' SER . 3.6 mp -140.69 114.58 7.27 Favored Pre-proline 0 C--O 1.233 0.2 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.758 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -70.19 140.26 60.81 Favored 'Cis proline' 0 C--N 1.348 0.518 0 C-N-CA 123.469 -1.471 . . . . 0.0 112.223 -0.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.658 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 25.6 Cg_endo -61.89 135.26 54.61 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.766 2.311 . . . . 0.0 112.366 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.667 ' HB ' HG23 ' A' ' 4' ' ' THR . 25.1 mm -78.9 97.31 2.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.085 179.427 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.519 ' HA ' ' O ' ' A' ' 2' ' ' ARG . 63.0 m -89.38 113.62 24.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.16 -179.331 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.423 ' HB2' ' CG ' ' A' ' 2' ' ' ARG . 29.0 m-85 -93.98 147.5 33.59 Favored Pre-proline 0 C--O 1.234 0.238 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.94 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -55.3 -36.14 92.97 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.912 2.408 . . . . 0.0 111.998 178.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 C--O 1.251 1.15 0 CA-C-O 118.417 -0.802 . . . . 0.0 111.514 179.88 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.213 0 CA-C-O 120.305 -0.164 . . . . 0.0 113.071 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.574 ' CG ' ' HB2' ' A' ' 12' ' ' PHE . 9.3 ptp180 -84.62 162.98 19.56 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.874 0.369 . . . . 0.0 111.59 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.517 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 78.3 m -154.98 135.69 13.56 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.353 179.156 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.581 HG23 ' HB ' ' A' ' 10' ' ' ILE . 48.6 p -65.47 165.78 11.47 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.866 179.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.564 ' H ' ' HD3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -89.62 29.87 1.09 Allowed 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.425 179.445 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.759 ' C ' HD12 ' A' ' 7' ' ' ILE . 98.2 p -111.47 -175.41 2.69 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.885 179.578 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.759 HD12 ' C ' ' A' ' 6' ' ' SER . 3.6 mp -140.86 116.26 7.42 Favored Pre-proline 0 CA--C 1.531 0.23 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.952 179.747 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -72.63 139.25 59.7 Favored 'Cis proline' 0 C--N 1.349 0.592 0 C-N-CA 123.487 -1.464 . . . . 0.0 112.079 -0.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.49 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 20.5 Cg_endo -61.73 131.23 34.48 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.649 2.233 . . . . 0.0 112.46 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.581 ' HB ' HG23 ' A' ' 4' ' ' THR . 30.1 mm -79.23 98.94 3.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 178.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.517 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 75.3 m -87.82 126.35 34.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.027 0.441 . . . . 0.0 112.082 -178.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.574 ' HB2' ' CG ' ' A' ' 2' ' ' ARG . 8.7 m-85 -108.01 143.74 27.96 Favored Pre-proline 0 C--O 1.235 0.308 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.727 179.027 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -51.52 -38.38 64.35 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.994 2.463 . . . . 0.0 112.729 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.1 -0.952 . . . . 0.0 110.744 179.894 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 CA-C-O 120.303 -0.165 . . . . 0.0 112.831 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.58 ' HG3' ' HB2' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -73.96 116.93 15.16 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.941 0.4 . . . . 0.0 111.14 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.755 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 31.8 m -100.32 143.91 29.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.032 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.672 HG23 ' HB ' ' A' ' 10' ' ' ILE . 52.1 p -68.41 -164.17 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.881 0.372 . . . . 0.0 111.57 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.651 ' HD2' ' N ' ' A' ' 5' ' ' LYS . 1.9 mptp? -111.7 46.84 1.08 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.618 -179.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.765 ' C ' HD12 ' A' ' 7' ' ' ILE . 80.6 p -137.65 -177.89 5.0 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.979 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.765 HD12 ' C ' ' A' ' 6' ' ' SER . 3.6 mp -140.47 116.27 7.71 Favored Pre-proline 0 CA--C 1.53 0.2 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.709 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo -71.01 136.52 41.87 Favored 'Cis proline' 0 C--N 1.35 0.609 0 C-N-CA 123.43 -1.488 . . . . 0.0 112.238 -0.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.755 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 30.7 Cg_endo -64.53 136.56 50.87 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.738 2.292 . . . . 0.0 112.215 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.672 ' HB ' HG23 ' A' ' 4' ' ' THR . 29.0 mm -78.73 98.66 2.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 179.44 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.529 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 64.1 m -87.61 117.81 26.67 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.057 0.455 . . . . 0.0 111.511 -179.122 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.58 ' HB2' ' HG3' ' A' ' 2' ' ' ARG . 14.2 m-85 -97.19 144.82 28.56 Favored Pre-proline 0 C--O 1.233 0.218 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.847 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -57.99 -23.21 58.97 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 123.288 2.659 . . . . 0.0 113.098 179.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.7 t70 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.56 -0.733 . . . . 0.0 111.213 -179.623 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.233 0 N-CA-C 112.576 -0.209 . . . . 0.0 112.576 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.524 ' O ' ' HA ' ' A' ' 11' ' ' CYS . 8.2 ptm180 -75.18 160.66 30.15 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 110.465 -0.198 . . . . 0.0 110.465 179.632 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.584 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 58.0 m -151.35 140.05 20.76 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.336 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.588 HG23 ' HB ' ' A' ' 10' ' ' ILE . 32.2 p -64.96 -174.39 0.14 Allowed 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.964 0.411 . . . . 0.0 111.855 -179.084 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.666 ' HD2' ' N ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -105.69 43.43 1.13 Allowed 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.606 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.775 ' C ' HD12 ' A' ' 7' ' ' ILE . 79.9 p -128.69 -178.63 4.67 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.782 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.775 HD12 ' C ' ' A' ' 6' ' ' SER . 3.5 mp -139.5 115.13 8.21 Favored Pre-proline 0 CA--C 1.53 0.189 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.731 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -72.35 137.62 49.73 Favored 'Cis proline' 0 C--N 1.349 0.553 0 C-N-CA 123.638 -1.401 . . . . 0.0 112.335 -0.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.584 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 18.2 Cg_endo -61.58 134.29 50.25 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 122.835 2.357 . . . . 0.0 112.604 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.588 ' HB ' HG23 ' A' ' 4' ' ' THR . 27.8 mm -80.21 107.35 12.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 178.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.524 ' HA ' ' O ' ' A' ' 2' ' ' ARG . 86.4 m -92.86 133.79 35.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.125 0.488 . . . . 0.0 112.194 -178.61 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.486 ' HB2' ' CG ' ' A' ' 2' ' ' ARG . 4.4 m-85 -117.97 153.58 51.15 Favored Pre-proline 0 C--O 1.236 0.348 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.955 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -55.16 -35.42 90.74 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 123.273 2.649 . . . . 0.0 112.798 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.549 -0.739 . . . . 0.0 111.56 -179.593 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.25 0 CA-C-O 120.342 -0.143 . . . . 0.0 112.864 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.555 ' HD2' ' HB2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -84.01 152.43 24.43 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 110.216 -0.291 . . . . 0.0 110.216 179.819 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.63 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . 56.3 m -146.81 140.35 25.72 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.727 0.298 . . . . 0.0 111.123 -179.554 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.574 HG23 ' HB ' ' A' ' 10' ' ' ILE . 53.8 p -62.03 161.14 11.26 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.963 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.413 ' HD2' ' C ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -84.91 32.97 0.52 Allowed 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 179.551 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.752 ' C ' HD12 ' A' ' 7' ' ' ILE . 93.7 p -115.59 -176.44 2.93 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.762 0.315 . . . . 0.0 110.858 179.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.752 HD12 ' C ' ' A' ' 6' ' ' SER . 3.7 mp -141.68 116.74 6.98 Favored Pre-proline 0 CA--C 1.53 0.197 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.625 179.603 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_exo -71.5 137.06 45.29 Favored 'Cis proline' 0 C--N 1.349 0.599 0 C-N-CA 123.549 -1.438 . . . . 0.0 112.267 -0.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.63 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 22.2 Cg_endo -62.71 131.86 35.12 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.754 2.303 . . . . 0.0 112.476 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.574 ' HB ' HG23 ' A' ' 4' ' ' THR . 21.1 mm -79.79 105.01 8.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.482 ' HA ' ' O ' ' A' ' 2' ' ' ARG . 73.4 m -90.41 135.66 33.54 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -178.363 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.555 ' HB2' ' HD2' ' A' ' 2' ' ' ARG . 7.2 m-85 -123.51 152.52 65.04 Favored Pre-proline 0 C--O 1.236 0.392 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.497 179.594 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -61.82 -6.59 7.82 Favored 'Trans proline' 0 CA--C 1.536 0.613 0 C-N-CA 123.189 2.593 . . . . 0.0 113.702 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.465 ' HB3' ' HG2' ' A' ' 2' ' ' ARG . 38.1 t70 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.108 -0.948 . . . . 0.0 111.128 -179.809 . . . . . . . . 1 1 . 1 stop_ save_