data_2n7t_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 2n7t _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 N--CA 1.489 1.484 0 CA-C-O 120.897 0.379 . . . . 73.010000000000005 110.351 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 39.9 t-105 -60.22 132.57 90.26 Favored Pre-proline 0 CA--C 1.582 2.182 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 -172.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo . . . . . 0 CA--C 1.572 2.382 0 N-CA-C 120.211 3.12 . . . . 73.349999999999994 120.211 11.384 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 120.715 0.293 . . . . 73.010000000000005 111.275 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 41.2 t-105 -58.74 134.26 86.48 Favored Pre-proline 0 CA--C 1.583 2.218 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo . . . . . 0 CA--C 1.571 2.365 0 N-CA-C 120.098 3.076 . . . . 73.349999999999994 120.098 10.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 120.427 0.156 . . . . 73.010000000000005 110.764 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 40.2 t-105 -58.36 134.39 85.12 Favored Pre-proline 0 CA--C 1.583 2.225 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo . . . . . 0 CA--C 1.57 2.289 0 N-CA-C 120.175 3.106 . . . . 73.349999999999994 120.175 9.536 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 111.61 0.226 . . . . 73.010000000000005 111.61 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 41.8 t-105 -58.7 135.76 86.5 Favored Pre-proline 0 CA--C 1.583 2.249 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 179.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo . . . . . 0 CA--C 1.57 2.325 0 N-CA-C 119.868 2.988 . . . . 73.349999999999994 119.868 8.14 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 110.09 -0.337 . . . . 73.010000000000005 110.09 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 38.6 t-105 -56.66 133.12 78.09 Favored Pre-proline 0 CA--C 1.583 2.218 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 -176.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo . . . . . 0 CA--C 1.572 2.386 0 N-CA-C 119.957 3.022 . . . . 73.349999999999994 119.957 9.108 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 110.661 -0.126 . . . . 73.010000000000005 110.661 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 51.9 t-105 -61.36 133.36 93.03 Favored Pre-proline 0 CA--C 1.585 2.295 0 CA-C-O 117.325 -1.321 . . . . 0.0 113.977 177.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo . . . . . 0 CA--C 1.572 2.416 0 CA-C-N 123.36 2.236 . . . . 73.349999999999994 117.521 8.911 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 119.953 -0.07 . . . . 73.010000000000005 111.086 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 40.0 t-105 -56.73 133.66 78.53 Favored Pre-proline 0 CA--C 1.584 2.27 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 CA--C 1.572 2.377 0 N-CA-C 119.863 2.986 . . . . 73.349999999999994 119.863 8.808 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 110.194 -0.298 . . . . 73.010000000000005 110.194 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 43.7 t-105 -57.58 133.3 82.25 Favored Pre-proline 0 CA--C 1.585 2.292 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 -177.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo . . . . . 0 CA--C 1.572 2.39 0 N-CA-C 119.493 2.844 . . . . 73.349999999999994 119.493 8.933 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 120.93 0.395 . . . . 73.010000000000005 111.307 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 41.2 t-105 -59.16 135.4 88.02 Favored Pre-proline 0 CA--C 1.581 2.162 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo . . . . . 0 CA--C 1.569 2.258 0 N-CA-C 120.233 3.128 . . . . 73.349999999999994 120.233 10.147 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 120.312 0.101 . . . . 73.010000000000005 110.997 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 40.3 t-105 -58.39 134.58 85.25 Favored Pre-proline 0 CA--C 1.584 2.268 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 179.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo . . . . . 0 CA--C 1.57 2.313 0 N-CA-C 120.095 3.075 . . . . 73.349999999999994 120.095 9.383 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.063 . . . . . . . . 31.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -112.41 127.37 56.0 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.934 0.894 . . . . 73.010000000000005 110.351 -174.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 39.9 t-105 -60.22 132.57 90.26 Favored Pre-proline 0 CA--C 1.582 2.182 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 -172.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -86.86 12.43 52.0 Favored 'Cis proline' 0 CA--C 1.572 2.382 0 N-CA-C 120.211 3.12 . . . . 73.349999999999994 120.211 11.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' 4J2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 32.5 ptt-85 -99.67 144.03 29.21 Favored 'General case' 0 CA--C 1.56 1.36 0 C-N-CA 124.267 1.027 . . . . 0.0 110.375 158.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 64.3 t-105 -93.49 117.8 30.53 Favored 'General case' 0 CA--C 1.56 1.356 0 CA-C-O 121.259 0.552 . . . . 0.0 109.982 172.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.32 -29.94 27.91 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 117.161 2.282 . . . . 74.430000000000007 117.161 -176.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.617 0 O-C-N 116.937 -3.602 . . . . 71.120000000000005 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.043 . . . . . . . . 31.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -98.66 130.33 45.16 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 123.77 0.828 . . . . 73.010000000000005 111.275 177.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 41.2 t-105 -58.74 134.26 86.48 Favored Pre-proline 0 CA--C 1.583 2.218 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -84.61 8.21 55.2 Favored 'Cis proline' 0 CA--C 1.571 2.365 0 N-CA-C 120.098 3.076 . . . . 73.349999999999994 120.098 10.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' 4J2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -107.59 151.94 24.94 Favored 'General case' 0 CA--C 1.562 1.411 0 C-N-CA 125.042 1.337 . . . . 0.0 110.35 162.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 72.9 t-105 -84.4 136.83 33.7 Favored 'General case' 0 CA--C 1.565 1.55 0 O-C-N 121.228 -0.92 . . . . 0.0 111.993 177.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.72 -45.6 35.73 Favored 'General case' 0 CA--C 1.566 1.589 0 N-CA-C 115.863 1.801 . . . . 74.430000000000007 115.863 -177.132 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.55 0 O-C-N 117.128 -3.482 . . . . 71.120000000000005 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.125 . . . . . . . . 31.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -101.94 122.08 43.37 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 123.542 0.737 . . . . 73.010000000000005 110.764 177.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 40.2 t-105 -58.36 134.39 85.12 Favored Pre-proline 0 CA--C 1.583 2.225 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -84.39 8.57 53.39 Favored 'Cis proline' 0 CA--C 1.57 2.289 0 N-CA-C 120.175 3.106 . . . . 73.349999999999994 120.175 9.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' 4J2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -100.74 147.97 25.43 Favored 'General case' 0 CA--C 1.564 1.506 0 CA-C-O 122.218 1.009 . . . . 0.0 109.951 157.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 76.4 t-105 -97.15 129.72 44.49 Favored 'General case' 0 CA--C 1.562 1.436 0 CA-C-O 121.819 0.819 . . . . 0.0 111.963 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.8 mtmm -110.64 -56.02 2.4 Favored 'General case' 0 CA--C 1.564 1.516 0 CA-C-N 115.271 -0.877 . . . . 74.430000000000007 111.541 164.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 117.014 -3.554 . . . . 71.120000000000005 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.15 . . . . . . . . 31.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -92.47 123.61 35.91 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.767 0.827 . . . . 73.010000000000005 111.61 -179.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 41.8 t-105 -58.7 135.76 86.5 Favored Pre-proline 0 CA--C 1.583 2.249 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 179.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -85.5 11.47 50.22 Favored 'Cis proline' 0 CA--C 1.57 2.325 0 N-CA-C 119.868 2.988 . . . . 73.349999999999994 119.868 8.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' 4J2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -103.79 148.59 25.92 Favored 'General case' 0 CA--C 1.563 1.478 0 CA-C-O 122.319 1.057 . . . . 0.0 109.065 159.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 56.0 t-105 -89.13 134.81 33.87 Favored 'General case' 0 CA--C 1.566 1.56 0 O-C-N 121.382 -0.824 . . . . 0.0 110.423 169.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.12 84.75 4.34 Favored 'General case' 0 CA--C 1.568 1.642 0 CA-C-O 123.384 1.564 . . . . 74.430000000000007 113.244 -174.263 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.829 0 O-C-N 117.683 -3.136 . . . . 71.120000000000005 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.059 . . . . . . . . 31.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -104.08 122.25 44.9 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 123.695 0.798 . . . . 73.010000000000005 110.09 -178.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 38.6 t-105 -56.66 133.12 78.09 Favored Pre-proline 0 CA--C 1.583 2.218 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 -176.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -85.28 11.16 50.33 Favored 'Cis proline' 0 CA--C 1.572 2.386 0 N-CA-C 119.957 3.022 . . . . 73.349999999999994 119.957 9.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' 4J2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -103.59 126.72 50.91 Favored 'General case' 0 CA--C 1.561 1.385 0 C-N-CA 124.337 1.055 . . . . 0.0 108.687 165.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 71.4 t-105 -91.71 123.2 34.93 Favored 'General case' 0 CA--C 1.562 1.436 0 CA-C-O 121.803 0.811 . . . . 0.0 111.748 -178.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm -90.31 -49.82 6.32 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 113.675 0.991 . . . . 74.430000000000007 113.675 173.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.534 0 O-C-N 116.967 -3.583 . . . . 71.120000000000005 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.03 . . . . . . . . 31.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -95.86 133.96 39.39 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 123.357 0.663 . . . . 73.010000000000005 110.661 175.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 51.9 t-105 -61.36 133.36 93.03 Favored Pre-proline 0 CA--C 1.585 2.295 0 CA-C-O 117.325 -1.321 . . . . 0.0 113.977 177.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -94.73 49.24 1.56 Allowed 'Cis proline' 0 CA--C 1.572 2.416 0 CA-C-N 123.36 2.236 . . . . 73.349999999999994 117.521 8.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' 4J2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 81.2 mmt-85 -122.7 124.98 44.65 Favored 'General case' 0 CA--C 1.561 1.396 0 C-N-CA 125.171 1.388 . . . . 0.0 107.312 173.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 63.6 t-105 -91.1 131.75 36.47 Favored 'General case' 0 CA--C 1.563 1.479 0 CA-C-O 122.063 0.935 . . . . 0.0 112.522 -172.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.1 mttp -82.46 86.35 6.77 Favored 'General case' 0 CA--C 1.565 1.527 0 CA-C-O 123.45 1.595 . . . . 74.430000000000007 111.469 176.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.818 0 O-C-N 117.652 -3.155 . . . . 71.120000000000005 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.018 . . . . . . . . 31.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -95.14 123.94 38.91 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 123.541 0.737 . . . . 73.010000000000005 111.086 178.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 40.0 t-105 -56.73 133.66 78.53 Favored Pre-proline 0 CA--C 1.584 2.27 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -85.72 11.98 49.47 Favored 'Cis proline' 0 CA--C 1.572 2.377 0 N-CA-C 119.863 2.986 . . . . 73.349999999999994 119.863 8.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' 4J2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.0 mmp_? -100.63 124.25 45.95 Favored 'General case' 0 CA--C 1.56 1.358 0 C-N-CA 124.387 1.075 . . . . 0.0 108.123 168.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 62.7 t-105 -83.19 137.73 33.92 Favored 'General case' 0 CA--C 1.567 1.621 0 CA-C-O 121.986 0.898 . . . . 0.0 112.468 -177.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -77.42 84.18 3.84 Favored 'General case' 0 CA--C 1.565 1.544 0 CA-C-O 123.678 1.704 . . . . 74.430000000000007 112.191 177.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.774 0 O-C-N 117.355 -3.341 . . . . 71.120000000000005 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.045 . . . . . . . . 31.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -97.5 125.57 42.26 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-N 115.351 -0.84 . . . . 73.010000000000005 110.194 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 43.7 t-105 -57.58 133.3 82.25 Favored Pre-proline 0 CA--C 1.585 2.292 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 -177.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -88.4 19.91 31.87 Favored 'Cis proline' 0 CA--C 1.572 2.39 0 N-CA-C 119.493 2.844 . . . . 73.349999999999994 119.493 8.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' 4J2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -118.13 117.68 29.83 Favored 'General case' 0 CA--C 1.563 1.445 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 171.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 66.3 t-105 -86.33 122.0 29.69 Favored 'General case' 0 CA--C 1.563 1.48 0 CA-C-O 121.913 0.863 . . . . 0.0 111.984 -176.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -93.99 94.56 8.51 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-O 123.233 1.492 . . . . 74.430000000000007 110.107 174.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.726 0 O-C-N 117.622 -3.174 . . . . 71.120000000000005 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.003 . . . . . . . . 31.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -101.55 129.89 47.73 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 123.268 0.627 . . . . 73.010000000000005 111.307 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 41.2 t-105 -59.16 135.4 88.02 Favored Pre-proline 0 CA--C 1.581 2.162 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -84.23 7.3 55.03 Favored 'Cis proline' 0 CA--C 1.569 2.258 0 N-CA-C 120.233 3.128 . . . . 73.349999999999994 120.233 10.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' 4J2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -91.21 153.65 19.85 Favored 'General case' 0 CA--C 1.569 1.684 0 CA-C-O 121.629 0.728 . . . . 0.0 111.129 150.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 68.2 t-105 -97.17 139.01 33.79 Favored 'General case' 0 CA--C 1.567 1.614 0 CA-C-O 121.838 0.827 . . . . 0.0 111.627 176.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -75.0 -54.62 6.86 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 115.129 1.529 . . . . 74.430000000000007 115.129 177.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.653 0 O-C-N 117.178 -3.451 . . . . 71.120000000000005 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.001 . . . . . . . . 31.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -96.4 122.72 39.6 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 123.503 0.721 . . . . 73.010000000000005 110.997 173.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 40.3 t-105 -58.39 134.58 85.25 Favored Pre-proline 0 CA--C 1.584 2.268 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 179.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -84.71 8.67 54.79 Favored 'Cis proline' 0 CA--C 1.57 2.313 0 N-CA-C 120.095 3.075 . . . . 73.349999999999994 120.095 9.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' 4J2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.8 tpm_? -100.7 146.55 27.07 Favored 'General case' 0 CA--C 1.563 1.46 0 CA-C-O 122.281 1.039 . . . . 0.0 109.661 158.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 74.0 t-105 -92.04 140.94 29.15 Favored 'General case' 0 CA--C 1.566 1.593 0 CA-C-O 121.952 0.882 . . . . 0.0 112.238 178.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.6 mmtm -76.4 85.98 3.15 Favored 'General case' 0 CA--C 1.565 1.557 0 CA-C-O 123.604 1.669 . . . . 74.430000000000007 112.405 172.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.765 0 O-C-N 117.357 -3.339 . . . . 71.120000000000005 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 N--CA 1.489 1.484 0 CA-C-O 120.897 0.379 . . . . 73.010000000000005 110.351 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 39.9 t-105 -60.22 132.57 90.26 Favored Pre-proline 0 CA--C 1.582 2.182 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 -172.079 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo . . . . . 0 CA--C 1.572 2.382 0 N-CA-C 120.211 3.12 . . . . 73.349999999999994 120.211 11.384 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 120.715 0.293 . . . . 73.010000000000005 111.275 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 41.2 t-105 -58.74 134.26 86.48 Favored Pre-proline 0 CA--C 1.583 2.218 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo . . . . . 0 CA--C 1.571 2.365 0 N-CA-C 120.098 3.076 . . . . 73.349999999999994 120.098 10.998 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 120.427 0.156 . . . . 73.010000000000005 110.764 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 40.2 t-105 -58.36 134.39 85.12 Favored Pre-proline 0 CA--C 1.583 2.225 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo . . . . . 0 CA--C 1.57 2.289 0 N-CA-C 120.175 3.106 . . . . 73.349999999999994 120.175 9.536 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 111.61 0.226 . . . . 73.010000000000005 111.61 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 41.8 t-105 -58.7 135.76 86.5 Favored Pre-proline 0 CA--C 1.583 2.249 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 179.311 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo . . . . . 0 CA--C 1.57 2.325 0 N-CA-C 119.868 2.988 . . . . 73.349999999999994 119.868 8.14 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 110.09 -0.337 . . . . 73.010000000000005 110.09 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 38.6 t-105 -56.66 133.12 78.09 Favored Pre-proline 0 CA--C 1.583 2.218 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 -176.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo . . . . . 0 CA--C 1.572 2.386 0 N-CA-C 119.957 3.022 . . . . 73.349999999999994 119.957 9.108 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 110.661 -0.126 . . . . 73.010000000000005 110.661 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 51.9 t-105 -61.36 133.36 93.03 Favored Pre-proline 0 CA--C 1.585 2.295 0 CA-C-O 117.325 -1.321 . . . . 0.0 113.977 177.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo . . . . . 0 CA--C 1.572 2.416 0 CA-C-N 123.36 2.236 . . . . 73.349999999999994 117.521 8.911 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 119.953 -0.07 . . . . 73.010000000000005 111.086 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 40.0 t-105 -56.73 133.66 78.53 Favored Pre-proline 0 CA--C 1.584 2.27 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 CA--C 1.572 2.377 0 N-CA-C 119.863 2.986 . . . . 73.349999999999994 119.863 8.808 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 110.194 -0.298 . . . . 73.010000000000005 110.194 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 43.7 t-105 -57.58 133.3 82.25 Favored Pre-proline 0 CA--C 1.585 2.292 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 -177.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo . . . . . 0 CA--C 1.572 2.39 0 N-CA-C 119.493 2.844 . . . . 73.349999999999994 119.493 8.933 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 120.93 0.395 . . . . 73.010000000000005 111.307 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 41.2 t-105 -59.16 135.4 88.02 Favored Pre-proline 0 CA--C 1.581 2.162 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo . . . . . 0 CA--C 1.569 2.258 0 N-CA-C 120.233 3.128 . . . . 73.349999999999994 120.233 10.147 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 120.312 0.101 . . . . 73.010000000000005 110.997 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 40.3 t-105 -58.39 134.58 85.25 Favored Pre-proline 0 CA--C 1.584 2.268 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 179.06 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo . . . . . 0 CA--C 1.57 2.313 0 N-CA-C 120.095 3.075 . . . . 73.349999999999994 120.095 9.383 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.063 . . . . . . . . 25.23 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -112.41 127.37 56.0 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.934 0.894 . . . . 73.010000000000005 110.351 -174.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 39.9 t-105 -60.22 132.57 90.26 Favored Pre-proline 0 CA--C 1.582 2.182 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 -172.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -86.86 12.43 52.0 Favored 'Cis proline' 0 CA--C 1.572 2.382 0 N-CA-C 120.211 3.12 . . . . 73.349999999999994 120.211 11.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' 4J2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 32.5 ptt-85 -99.67 144.03 29.21 Favored 'General case' 0 CA--C 1.56 1.36 0 C-N-CA 124.267 1.027 . . . . 0.0 110.375 158.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 64.3 t-105 -93.49 117.8 30.53 Favored 'General case' 0 CA--C 1.56 1.356 0 CA-C-O 121.259 0.552 . . . . 0.0 109.982 172.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.32 -29.94 27.91 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 117.161 2.282 . . . . 74.430000000000007 117.161 -176.279 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.617 0 O-C-N 116.937 -3.602 . . . . 24.350000000000001 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.043 . . . . . . . . 25.23 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -98.66 130.33 45.16 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 123.77 0.828 . . . . 73.010000000000005 111.275 177.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 41.2 t-105 -58.74 134.26 86.48 Favored Pre-proline 0 CA--C 1.583 2.218 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -84.61 8.21 55.2 Favored 'Cis proline' 0 CA--C 1.571 2.365 0 N-CA-C 120.098 3.076 . . . . 73.349999999999994 120.098 10.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' 4J2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -107.59 151.94 24.94 Favored 'General case' 0 CA--C 1.562 1.411 0 C-N-CA 125.042 1.337 . . . . 0.0 110.35 162.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 72.9 t-105 -84.4 136.83 33.7 Favored 'General case' 0 CA--C 1.565 1.55 0 O-C-N 121.228 -0.92 . . . . 0.0 111.993 177.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.72 -45.6 35.73 Favored 'General case' 0 CA--C 1.566 1.589 0 N-CA-C 115.863 1.801 . . . . 74.430000000000007 115.863 -177.132 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.55 0 O-C-N 117.128 -3.482 . . . . 24.350000000000001 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.125 . . . . . . . . 25.23 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -101.94 122.08 43.37 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 123.542 0.737 . . . . 73.010000000000005 110.764 177.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 40.2 t-105 -58.36 134.39 85.12 Favored Pre-proline 0 CA--C 1.583 2.225 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -84.39 8.57 53.39 Favored 'Cis proline' 0 CA--C 1.57 2.289 0 N-CA-C 120.175 3.106 . . . . 73.349999999999994 120.175 9.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' 4J2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -100.74 147.97 25.43 Favored 'General case' 0 CA--C 1.564 1.506 0 CA-C-O 122.218 1.009 . . . . 0.0 109.951 157.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 76.4 t-105 -97.15 129.72 44.49 Favored 'General case' 0 CA--C 1.562 1.436 0 CA-C-O 121.819 0.819 . . . . 0.0 111.963 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.8 mtmm -110.64 -56.02 2.4 Favored 'General case' 0 CA--C 1.564 1.516 0 CA-C-N 115.271 -0.877 . . . . 74.430000000000007 111.541 164.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 117.014 -3.554 . . . . 24.350000000000001 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.15 . . . . . . . . 25.23 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -92.47 123.61 35.91 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.767 0.827 . . . . 73.010000000000005 111.61 -179.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 41.8 t-105 -58.7 135.76 86.5 Favored Pre-proline 0 CA--C 1.583 2.249 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 179.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -85.5 11.47 50.22 Favored 'Cis proline' 0 CA--C 1.57 2.325 0 N-CA-C 119.868 2.988 . . . . 73.349999999999994 119.868 8.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' 4J2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -103.79 148.59 25.92 Favored 'General case' 0 CA--C 1.563 1.478 0 CA-C-O 122.319 1.057 . . . . 0.0 109.065 159.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 56.0 t-105 -89.13 134.81 33.87 Favored 'General case' 0 CA--C 1.566 1.56 0 O-C-N 121.382 -0.824 . . . . 0.0 110.423 169.064 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.12 84.75 4.34 Favored 'General case' 0 CA--C 1.568 1.642 0 CA-C-O 123.384 1.564 . . . . 74.430000000000007 113.244 -174.263 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.829 0 O-C-N 117.683 -3.136 . . . . 24.350000000000001 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.059 . . . . . . . . 25.23 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -104.08 122.25 44.9 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 123.695 0.798 . . . . 73.010000000000005 110.09 -178.016 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 38.6 t-105 -56.66 133.12 78.09 Favored Pre-proline 0 CA--C 1.583 2.218 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 -176.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -85.28 11.16 50.33 Favored 'Cis proline' 0 CA--C 1.572 2.386 0 N-CA-C 119.957 3.022 . . . . 73.349999999999994 119.957 9.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' 4J2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -103.59 126.72 50.91 Favored 'General case' 0 CA--C 1.561 1.385 0 C-N-CA 124.337 1.055 . . . . 0.0 108.687 165.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 71.4 t-105 -91.71 123.2 34.93 Favored 'General case' 0 CA--C 1.562 1.436 0 CA-C-O 121.803 0.811 . . . . 0.0 111.748 -178.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm -90.31 -49.82 6.32 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 113.675 0.991 . . . . 74.430000000000007 113.675 173.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.534 0 O-C-N 116.967 -3.583 . . . . 24.350000000000001 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.03 . . . . . . . . 25.23 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -95.86 133.96 39.39 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 123.357 0.663 . . . . 73.010000000000005 110.661 175.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 51.9 t-105 -61.36 133.36 93.03 Favored Pre-proline 0 CA--C 1.585 2.295 0 CA-C-O 117.325 -1.321 . . . . 0.0 113.977 177.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -94.73 49.24 1.56 Allowed 'Cis proline' 0 CA--C 1.572 2.416 0 CA-C-N 123.36 2.236 . . . . 73.349999999999994 117.521 8.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' 4J2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 81.2 mmt-85 -122.7 124.98 44.65 Favored 'General case' 0 CA--C 1.561 1.396 0 C-N-CA 125.171 1.388 . . . . 0.0 107.312 173.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 63.6 t-105 -91.1 131.75 36.47 Favored 'General case' 0 CA--C 1.563 1.479 0 CA-C-O 122.063 0.935 . . . . 0.0 112.522 -172.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.1 mttp -82.46 86.35 6.77 Favored 'General case' 0 CA--C 1.565 1.527 0 CA-C-O 123.45 1.595 . . . . 74.430000000000007 111.469 176.251 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.818 0 O-C-N 117.652 -3.155 . . . . 24.350000000000001 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.018 . . . . . . . . 25.23 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -95.14 123.94 38.91 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 123.541 0.737 . . . . 73.010000000000005 111.086 178.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 40.0 t-105 -56.73 133.66 78.53 Favored Pre-proline 0 CA--C 1.584 2.27 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -85.72 11.98 49.47 Favored 'Cis proline' 0 CA--C 1.572 2.377 0 N-CA-C 119.863 2.986 . . . . 73.349999999999994 119.863 8.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' 4J2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.0 mmp_? -100.63 124.25 45.95 Favored 'General case' 0 CA--C 1.56 1.358 0 C-N-CA 124.387 1.075 . . . . 0.0 108.123 168.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 62.7 t-105 -83.19 137.73 33.92 Favored 'General case' 0 CA--C 1.567 1.621 0 CA-C-O 121.986 0.898 . . . . 0.0 112.468 -177.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -77.42 84.18 3.84 Favored 'General case' 0 CA--C 1.565 1.544 0 CA-C-O 123.678 1.704 . . . . 74.430000000000007 112.191 177.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.774 0 O-C-N 117.355 -3.341 . . . . 24.350000000000001 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.045 . . . . . . . . 25.23 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -97.5 125.57 42.26 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-N 115.351 -0.84 . . . . 73.010000000000005 110.194 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 43.7 t-105 -57.58 133.3 82.25 Favored Pre-proline 0 CA--C 1.585 2.292 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 -177.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -88.4 19.91 31.87 Favored 'Cis proline' 0 CA--C 1.572 2.39 0 N-CA-C 119.493 2.844 . . . . 73.349999999999994 119.493 8.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' 4J2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -118.13 117.68 29.83 Favored 'General case' 0 CA--C 1.563 1.445 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 171.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 66.3 t-105 -86.33 122.0 29.69 Favored 'General case' 0 CA--C 1.563 1.48 0 CA-C-O 121.913 0.863 . . . . 0.0 111.984 -176.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -93.99 94.56 8.51 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-O 123.233 1.492 . . . . 74.430000000000007 110.107 174.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.726 0 O-C-N 117.622 -3.174 . . . . 24.350000000000001 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.003 . . . . . . . . 25.23 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -101.55 129.89 47.73 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 123.268 0.627 . . . . 73.010000000000005 111.307 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 41.2 t-105 -59.16 135.4 88.02 Favored Pre-proline 0 CA--C 1.581 2.162 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -84.23 7.3 55.03 Favored 'Cis proline' 0 CA--C 1.569 2.258 0 N-CA-C 120.233 3.128 . . . . 73.349999999999994 120.233 10.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' 4J2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -91.21 153.65 19.85 Favored 'General case' 0 CA--C 1.569 1.684 0 CA-C-O 121.629 0.728 . . . . 0.0 111.129 150.107 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 68.2 t-105 -97.17 139.01 33.79 Favored 'General case' 0 CA--C 1.567 1.614 0 CA-C-O 121.838 0.827 . . . . 0.0 111.627 176.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -75.0 -54.62 6.86 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 115.129 1.529 . . . . 74.430000000000007 115.129 177.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.653 0 O-C-N 117.178 -3.451 . . . . 24.350000000000001 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.001 . . . . . . . . 25.23 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -96.4 122.72 39.6 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 123.503 0.721 . . . . 73.010000000000005 110.997 173.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 40.3 t-105 -58.39 134.58 85.25 Favored Pre-proline 0 CA--C 1.584 2.268 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 179.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -84.71 8.67 54.79 Favored 'Cis proline' 0 CA--C 1.57 2.313 0 N-CA-C 120.095 3.075 . . . . 73.349999999999994 120.095 9.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' 4J2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.8 tpm_? -100.7 146.55 27.07 Favored 'General case' 0 CA--C 1.563 1.46 0 CA-C-O 122.281 1.039 . . . . 0.0 109.661 158.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 74.0 t-105 -92.04 140.94 29.15 Favored 'General case' 0 CA--C 1.566 1.593 0 CA-C-O 121.952 0.882 . . . . 0.0 112.238 178.02 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.6 mmtm -76.4 85.98 3.15 Favored 'General case' 0 CA--C 1.565 1.557 0 CA-C-O 123.604 1.669 . . . . 74.430000000000007 112.405 172.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.765 0 O-C-N 117.357 -3.339 . . . . 24.350000000000001 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 N--CA 1.489 1.484 0 CA-C-O 120.897 0.379 . . . . 73.01 110.351 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 39.9 t-105 -60.22 132.57 90.26 Favored Pre-proline 0 CA--C 1.582 2.182 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 -172.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo . . . . . 0 CA--C 1.572 2.382 0 N-CA-C 120.211 3.12 . . . . 73.35 120.211 11.384 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 120.715 0.293 . . . . 73.01 111.275 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 41.2 t-105 -58.74 134.26 86.48 Favored Pre-proline 0 CA--C 1.583 2.218 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo . . . . . 0 CA--C 1.571 2.365 0 N-CA-C 120.098 3.076 . . . . 73.35 120.098 10.998 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 120.427 0.156 . . . . 73.01 110.764 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 40.2 t-105 -58.36 134.39 85.12 Favored Pre-proline 0 CA--C 1.583 2.225 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo . . . . . 0 CA--C 1.57 2.289 0 N-CA-C 120.175 3.106 . . . . 73.35 120.175 9.536 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 111.61 0.226 . . . . 73.01 111.61 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 41.8 t-105 -58.7 135.76 86.5 Favored Pre-proline 0 CA--C 1.583 2.249 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 179.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo . . . . . 0 CA--C 1.57 2.325 0 N-CA-C 119.868 2.988 . . . . 73.35 119.868 8.14 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 110.09 -0.337 . . . . 73.01 110.09 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 38.6 t-105 -56.66 133.12 78.09 Favored Pre-proline 0 CA--C 1.583 2.218 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 -176.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo . . . . . 0 CA--C 1.572 2.386 0 N-CA-C 119.957 3.022 . . . . 73.35 119.957 9.108 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 110.661 -0.126 . . . . 73.01 110.661 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 51.9 t-105 -61.36 133.36 93.03 Favored Pre-proline 0 CA--C 1.585 2.295 0 CA-C-O 117.325 -1.321 . . . . 0.0 113.977 177.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo . . . . . 0 CA--C 1.572 2.416 0 CA-C-N 123.36 2.236 . . . . 73.35 117.521 8.911 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 119.953 -0.07 . . . . 73.01 111.086 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 40.0 t-105 -56.73 133.66 78.53 Favored Pre-proline 0 CA--C 1.584 2.27 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 CA--C 1.572 2.377 0 N-CA-C 119.863 2.986 . . . . 73.35 119.863 8.808 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 110.194 -0.298 . . . . 73.01 110.194 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 43.7 t-105 -57.58 133.3 82.25 Favored Pre-proline 0 CA--C 1.585 2.292 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 -177.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo . . . . . 0 CA--C 1.572 2.39 0 N-CA-C 119.493 2.844 . . . . 73.35 119.493 8.933 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 120.93 0.395 . . . . 73.01 111.307 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 41.2 t-105 -59.16 135.4 88.02 Favored Pre-proline 0 CA--C 1.581 2.162 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo . . . . . 0 CA--C 1.569 2.258 0 N-CA-C 120.233 3.128 . . . . 73.35 120.233 10.147 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 120.312 0.101 . . . . 73.01 110.997 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 40.3 t-105 -58.39 134.58 85.25 Favored Pre-proline 0 CA--C 1.584 2.268 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 179.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo . . . . . 0 CA--C 1.57 2.313 0 N-CA-C 120.095 3.075 . . . . 73.35 120.095 9.383 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.063 . . . . . . . . 25.23 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -112.41 127.37 56.0 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.934 0.894 . . . . 73.01 110.351 -174.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 39.9 t-105 -60.22 132.57 90.26 Favored Pre-proline 0 CA--C 1.582 2.182 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 -172.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -86.86 12.43 52.0 Favored 'Cis proline' 0 CA--C 1.572 2.382 0 N-CA-C 120.211 3.12 . . . . 73.35 120.211 11.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' 4J2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 32.5 ptt-85 -99.67 144.03 29.21 Favored 'General case' 0 CA--C 1.56 1.36 0 C-N-CA 124.267 1.027 . . . . 0.0 110.375 158.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 64.3 t-105 -93.49 117.8 30.53 Favored 'General case' 0 CA--C 1.56 1.356 0 CA-C-O 121.259 0.552 . . . . 0.0 109.982 172.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.32 -29.94 27.91 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 117.161 2.282 . . . . 74.43 117.161 -176.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.617 0 O-C-N 116.937 -3.602 . . . . 24.35 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.043 . . . . . . . . 25.23 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -98.66 130.33 45.16 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 123.77 0.828 . . . . 73.01 111.275 177.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 41.2 t-105 -58.74 134.26 86.48 Favored Pre-proline 0 CA--C 1.583 2.218 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -84.61 8.21 55.2 Favored 'Cis proline' 0 CA--C 1.571 2.365 0 N-CA-C 120.098 3.076 . . . . 73.35 120.098 10.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' 4J2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -107.59 151.94 24.94 Favored 'General case' 0 CA--C 1.562 1.411 0 C-N-CA 125.042 1.337 . . . . 0.0 110.35 162.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 72.9 t-105 -84.4 136.83 33.7 Favored 'General case' 0 CA--C 1.565 1.55 0 O-C-N 121.228 -0.92 . . . . 0.0 111.993 177.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.72 -45.6 35.73 Favored 'General case' 0 CA--C 1.566 1.589 0 N-CA-C 115.863 1.801 . . . . 74.43 115.863 -177.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.55 0 O-C-N 117.128 -3.482 . . . . 24.35 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.125 . . . . . . . . 25.23 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -101.94 122.08 43.37 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 123.542 0.737 . . . . 73.01 110.764 177.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 40.2 t-105 -58.36 134.39 85.12 Favored Pre-proline 0 CA--C 1.583 2.225 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -84.39 8.57 53.39 Favored 'Cis proline' 0 CA--C 1.57 2.289 0 N-CA-C 120.175 3.106 . . . . 73.35 120.175 9.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' 4J2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -100.74 147.97 25.43 Favored 'General case' 0 CA--C 1.564 1.506 0 CA-C-O 122.218 1.009 . . . . 0.0 109.951 157.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 76.4 t-105 -97.15 129.72 44.49 Favored 'General case' 0 CA--C 1.562 1.436 0 CA-C-O 121.819 0.819 . . . . 0.0 111.963 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.8 mtmm -110.64 -56.02 2.4 Favored 'General case' 0 CA--C 1.564 1.516 0 CA-C-N 115.271 -0.877 . . . . 74.43 111.541 164.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 117.014 -3.554 . . . . 24.35 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.15 . . . . . . . . 25.23 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -92.47 123.61 35.91 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.767 0.827 . . . . 73.01 111.61 -179.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 41.8 t-105 -58.7 135.76 86.5 Favored Pre-proline 0 CA--C 1.583 2.249 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 179.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -85.5 11.47 50.22 Favored 'Cis proline' 0 CA--C 1.57 2.325 0 N-CA-C 119.868 2.988 . . . . 73.35 119.868 8.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' 4J2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -103.79 148.59 25.92 Favored 'General case' 0 CA--C 1.563 1.478 0 CA-C-O 122.319 1.057 . . . . 0.0 109.065 159.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 56.0 t-105 -89.13 134.81 33.87 Favored 'General case' 0 CA--C 1.566 1.56 0 O-C-N 121.382 -0.824 . . . . 0.0 110.423 169.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.12 84.75 4.34 Favored 'General case' 0 CA--C 1.568 1.642 0 CA-C-O 123.384 1.564 . . . . 74.43 113.244 -174.263 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.829 0 O-C-N 117.683 -3.136 . . . . 24.35 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.059 . . . . . . . . 25.23 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -104.08 122.25 44.9 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 123.695 0.798 . . . . 73.01 110.09 -178.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 38.6 t-105 -56.66 133.12 78.09 Favored Pre-proline 0 CA--C 1.583 2.218 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 -176.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -85.28 11.16 50.33 Favored 'Cis proline' 0 CA--C 1.572 2.386 0 N-CA-C 119.957 3.022 . . . . 73.35 119.957 9.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' 4J2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -103.59 126.72 50.91 Favored 'General case' 0 CA--C 1.561 1.385 0 C-N-CA 124.337 1.055 . . . . 0.0 108.687 165.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 71.4 t-105 -91.71 123.2 34.93 Favored 'General case' 0 CA--C 1.562 1.436 0 CA-C-O 121.803 0.811 . . . . 0.0 111.748 -178.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm -90.31 -49.82 6.32 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 113.675 0.991 . . . . 74.43 113.675 173.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.534 0 O-C-N 116.967 -3.583 . . . . 24.35 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.03 . . . . . . . . 25.23 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -95.86 133.96 39.39 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 123.357 0.663 . . . . 73.01 110.661 175.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 51.9 t-105 -61.36 133.36 93.03 Favored Pre-proline 0 CA--C 1.585 2.295 0 CA-C-O 117.325 -1.321 . . . . 0.0 113.977 177.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -94.73 49.24 1.56 Allowed 'Cis proline' 0 CA--C 1.572 2.416 0 CA-C-N 123.36 2.236 . . . . 73.35 117.521 8.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' 4J2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 81.2 mmt-85 -122.7 124.98 44.65 Favored 'General case' 0 CA--C 1.561 1.396 0 C-N-CA 125.171 1.388 . . . . 0.0 107.312 173.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 63.6 t-105 -91.1 131.75 36.47 Favored 'General case' 0 CA--C 1.563 1.479 0 CA-C-O 122.063 0.935 . . . . 0.0 112.522 -172.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.1 mttp -82.46 86.35 6.77 Favored 'General case' 0 CA--C 1.565 1.527 0 CA-C-O 123.45 1.595 . . . . 74.43 111.469 176.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.818 0 O-C-N 117.652 -3.155 . . . . 24.35 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.018 . . . . . . . . 25.23 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -95.14 123.94 38.91 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 123.541 0.737 . . . . 73.01 111.086 178.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 40.0 t-105 -56.73 133.66 78.53 Favored Pre-proline 0 CA--C 1.584 2.27 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -85.72 11.98 49.47 Favored 'Cis proline' 0 CA--C 1.572 2.377 0 N-CA-C 119.863 2.986 . . . . 73.35 119.863 8.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' 4J2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.0 mmp_? -100.63 124.25 45.95 Favored 'General case' 0 CA--C 1.56 1.358 0 C-N-CA 124.387 1.075 . . . . 0.0 108.123 168.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 62.7 t-105 -83.19 137.73 33.92 Favored 'General case' 0 CA--C 1.567 1.621 0 CA-C-O 121.986 0.898 . . . . 0.0 112.468 -177.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -77.42 84.18 3.84 Favored 'General case' 0 CA--C 1.565 1.544 0 CA-C-O 123.678 1.704 . . . . 74.43 112.191 177.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.774 0 O-C-N 117.355 -3.341 . . . . 24.35 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.045 . . . . . . . . 25.23 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -97.5 125.57 42.26 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-N 115.351 -0.84 . . . . 73.01 110.194 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 43.7 t-105 -57.58 133.3 82.25 Favored Pre-proline 0 CA--C 1.585 2.292 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 -177.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -88.4 19.91 31.87 Favored 'Cis proline' 0 CA--C 1.572 2.39 0 N-CA-C 119.493 2.844 . . . . 73.35 119.493 8.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' 4J2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -118.13 117.68 29.83 Favored 'General case' 0 CA--C 1.563 1.445 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 171.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 66.3 t-105 -86.33 122.0 29.69 Favored 'General case' 0 CA--C 1.563 1.48 0 CA-C-O 121.913 0.863 . . . . 0.0 111.984 -176.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -93.99 94.56 8.51 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-O 123.233 1.492 . . . . 74.43 110.107 174.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.726 0 O-C-N 117.622 -3.174 . . . . 24.35 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.003 . . . . . . . . 25.23 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -101.55 129.89 47.73 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 123.268 0.627 . . . . 73.01 111.307 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 41.2 t-105 -59.16 135.4 88.02 Favored Pre-proline 0 CA--C 1.581 2.162 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -84.23 7.3 55.03 Favored 'Cis proline' 0 CA--C 1.569 2.258 0 N-CA-C 120.233 3.128 . . . . 73.35 120.233 10.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' 4J2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -91.21 153.65 19.85 Favored 'General case' 0 CA--C 1.569 1.684 0 CA-C-O 121.629 0.728 . . . . 0.0 111.129 150.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 68.2 t-105 -97.17 139.01 33.79 Favored 'General case' 0 CA--C 1.567 1.614 0 CA-C-O 121.838 0.827 . . . . 0.0 111.627 176.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -75.0 -54.62 6.86 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 115.129 1.529 . . . . 74.43 115.129 177.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.653 0 O-C-N 117.178 -3.451 . . . . 24.35 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.001 . . . . . . . . 25.23 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -96.4 122.72 39.6 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 123.503 0.721 . . . . 73.01 110.997 173.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 40.3 t-105 -58.39 134.58 85.25 Favored Pre-proline 0 CA--C 1.584 2.268 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 179.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -84.71 8.67 54.79 Favored 'Cis proline' 0 CA--C 1.57 2.313 0 N-CA-C 120.095 3.075 . . . . 73.35 120.095 9.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' 4J2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.8 tpm_? -100.7 146.55 27.07 Favored 'General case' 0 CA--C 1.563 1.46 0 CA-C-O 122.281 1.039 . . . . 0.0 109.661 158.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 74.0 t-105 -92.04 140.94 29.15 Favored 'General case' 0 CA--C 1.566 1.593 0 CA-C-O 121.952 0.882 . . . . 0.0 112.238 178.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.6 mmtm -76.4 85.98 3.15 Favored 'General case' 0 CA--C 1.565 1.557 0 CA-C-O 123.604 1.669 . . . . 74.43 112.405 172.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.765 0 O-C-N 117.357 -3.339 . . . . 24.35 . . . . . . . . . . 0 0 . 1 stop_ save_