data_2lhz_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 2lhz _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.488 1.149 0 CA-C-O 120.775 0.24 . . . . 0.0 112.016 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 76.9 p -143.21 -177.05 5.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.59 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 65.0 p -137.04 153.84 50.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.566 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.4 159.35 64.67 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.532 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.305 -1.73 0 C-N-CA 123.033 2.488 . . . . 0.0 112.012 -179.747 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.487 1.107 0 CA-C-O 120.816 0.257 . . . . 0.0 112.01 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 55.3 p -142.8 156.73 45.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.552 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.3 p -103.38 172.12 6.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.57 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.28 172.15 10.25 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.601 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 C--N 1.305 -1.745 0 C-N-CA 123.033 2.489 . . . . 0.0 112.018 179.554 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.488 1.16 0 CA-C-O 120.814 0.256 . . . . 0.0 111.95 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 81.5 p -143.14 -176.72 5.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.56 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 72.5 p -137.06 154.11 50.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.521 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.45 154.91 69.09 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.586 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.305 -1.745 0 C-N-CA 123.041 2.494 . . . . 0.0 112.06 -179.666 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.487 1.143 0 CA-C-O 120.813 0.256 . . . . 0.0 111.978 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 66.8 p -143.24 172.17 13.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.515 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 67.6 p -136.94 139.61 41.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.536 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.447 ' O ' ' CG2' ' A' ' 5' ' ' THR . 8.7 t -157.49 73.18 4.34 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.564 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 C--N 1.305 -1.725 0 C-N-CA 123.0 2.467 . . . . 0.0 111.984 179.451 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.488 1.152 0 CA-C-O 120.822 0.259 . . . . 0.0 111.943 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 80.3 p -143.02 -177.3 5.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.596 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 79.9 p -136.98 158.85 43.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.558 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -82.43 153.74 68.58 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.567 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.305 -1.728 0 C-N-CA 123.007 2.471 . . . . 0.0 112.037 -179.544 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.488 1.17 0 CA-C-O 120.75 0.229 . . . . 0.0 111.988 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 65.2 p -96.22 176.04 6.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.476 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 82.3 p -137.08 155.85 49.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.634 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.48 159.23 64.73 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.564 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.305 -1.741 0 C-N-CA 123.011 2.474 . . . . 0.0 112.002 -179.728 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.488 1.175 0 CA-C-O 120.746 0.228 . . . . 0.0 112.045 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 64.3 p -96.31 175.52 6.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.525 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.97 158.6 44.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.492 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.66 159.52 63.55 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.609 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 C--N 1.304 -1.793 0 C-N-CA 123.043 2.495 . . . . 0.0 112.037 -179.81 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.488 1.176 0 CA-C-O 120.788 0.245 . . . . 0.0 112.03 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.8 p -142.9 -178.96 6.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.566 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 51.9 p -137.08 163.89 29.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.556 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.34 171.87 10.87 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.586 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 C--N 1.305 -1.743 0 C-N-CA 122.994 2.463 . . . . 0.0 111.996 179.579 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.487 1.116 0 CA-C-O 120.792 0.246 . . . . 0.0 112.02 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 55.4 p -96.1 150.54 20.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.553 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.0 165.05 11.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.543 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.68 155.16 68.49 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.583 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.305 -1.759 0 C-N-CA 122.976 2.451 . . . . 0.0 112.0 -179.756 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.487 1.138 0 CA-C-O 120.783 0.243 . . . . 0.0 112.004 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 71.3 p -143.2 -176.38 4.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.619 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.3 p -137.05 151.84 49.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.556 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.45 159.34 64.55 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.58 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 C--N 1.305 -1.746 0 C-N-CA 123.051 2.501 . . . . 0.0 111.978 -179.694 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.487 1.119 0 CA-C-O 120.874 0.281 . . . . 0.0 112.045 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 73.5 p -143.95 168.75 19.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.602 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.01 161.79 13.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.544 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.48 155.12 69.01 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.585 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 C--N 1.305 -1.732 0 C-N-CA 122.95 2.433 . . . . 0.0 112.033 -179.698 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 N--CA 1.487 1.14 0 CA-C-O 120.813 0.255 . . . . 0.0 112.006 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.3 p -96.13 159.53 14.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.596 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.7 p -103.41 164.82 11.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.595 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.478 ' H ' ' HG1' ' A' ' 5' ' ' THR . 0.7 OUTLIER -82.38 154.59 69.12 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.557 -179.78 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.305 -1.739 0 C-N-CA 123.048 2.498 . . . . 0.0 111.935 -179.616 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.488 1.18 0 CA-C-O 120.798 0.249 . . . . 0.0 111.999 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 70.4 p -96.67 -179.15 4.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.559 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -136.64 171.09 15.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.572 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.23 116.08 61.48 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.616 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 C--N 1.305 -1.741 0 C-N-CA 123.091 2.527 . . . . 0.0 111.997 179.478 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.489 1.208 0 CA-C-O 120.842 0.268 . . . . 0.0 111.96 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.9 p -143.86 -167.06 2.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.594 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.3 p -105.03 -130.43 0.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.571 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -155.54 154.01 27.45 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.58 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.304 -1.764 0 C-N-CA 123.051 2.5 . . . . 0.0 111.976 -179.369 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.487 1.093 0 CA-C-O 120.713 0.214 . . . . 0.0 112.006 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.1 p -143.24 -176.0 4.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.626 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.1 p -137.07 152.7 50.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.519 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.42 159.41 64.49 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.516 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.306 -1.689 0 C-N-CA 123.069 2.512 . . . . 0.0 111.955 -179.686 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.487 1.137 0 CA-C-O 120.777 0.241 . . . . 0.0 112.042 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.6 p -96.84 -176.45 3.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.563 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 29.6 p -136.57 175.34 9.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.555 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.4 m -81.87 131.7 56.44 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.59 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 C--N 1.304 -1.771 0 C-N-CA 123.065 2.51 . . . . 0.0 111.962 -179.54 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.489 1.25 0 CA-C-O 120.803 0.251 . . . . 0.0 112.058 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 58.5 p -143.92 -166.14 2.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.59 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 53.1 p -136.97 165.22 26.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.55 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.42 165.87 39.82 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.551 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 C--N 1.305 -1.718 0 C-N-CA 123.031 2.488 . . . . 0.0 111.989 179.711 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.487 1.118 0 CA-C-O 120.848 0.27 . . . . 0.0 111.961 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 70.7 p -96.11 162.3 13.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.523 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 47.7 p -103.3 161.18 14.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.576 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.48 158.98 65.28 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.506 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 C--N 1.304 -1.768 0 C-N-CA 123.074 2.516 . . . . 0.0 111.952 -179.716 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.488 1.158 0 CA-C-O 120.759 0.233 . . . . 0.0 111.936 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 78.3 p -143.06 164.05 31.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.544 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.01 162.38 12.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.564 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.71 159.61 63.23 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.504 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.306 -1.704 0 C-N-CA 122.994 2.463 . . . . 0.0 112.035 -179.811 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.488 1.165 0 CA-C-O 120.825 0.261 . . . . 0.0 112.015 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.1 p -96.68 -163.82 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.616 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -100.56 -166.73 1.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.607 -179.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.83 172.3 9.79 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.546 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 C--N 1.305 -1.714 0 C-N-CA 122.99 2.46 . . . . 0.0 111.982 179.488 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.487 1.124 0 CA-C-O 120.821 0.259 . . . . 0.0 111.994 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 58.7 p -96.55 158.34 15.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.577 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 35.3 p -103.73 167.49 9.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.57 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.14 154.8 69.87 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.563 -179.795 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 C--N 1.306 -1.689 0 C-N-CA 122.968 2.445 . . . . 0.0 111.988 -179.498 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 N--CA 1.487 1.111 0 CA-C-O 120.851 0.271 . . . . 0.0 112.01 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.5 p -143.25 -176.18 4.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.551 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 72.2 p -137.0 154.69 50.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.583 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -82.53 153.94 68.41 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.512 -179.836 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.306 -1.699 0 C-N-CA 122.988 2.459 . . . . 0.0 112.053 -179.535 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.487 1.143 0 CA-C-O 120.866 0.278 . . . . 0.0 111.982 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 64.7 p -96.35 160.72 14.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.569 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 38.6 p -103.53 163.04 12.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.586 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.25 159.26 65.32 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.531 -179.751 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.304 -1.774 0 C-N-CA 122.99 2.46 . . . . 0.0 112.052 -179.711 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.487 1.143 0 CA-C-O 120.763 0.235 . . . . 0.0 112.056 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 80.9 p -96.12 179.96 4.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.53 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.8 p -136.74 139.65 42.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.538 -179.846 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 98.2 m -157.32 72.93 4.45 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.526 -179.776 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 C--N 1.304 -1.765 0 C-N-CA 123.015 2.476 . . . . 0.0 111.977 179.276 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.488 1.15 0 CA-C-O 120.769 0.237 . . . . 0.0 111.963 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 59.3 p -96.52 176.84 5.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.503 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.76 169.37 17.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.506 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.6 p -82.61 115.97 61.25 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.573 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 C--N 1.305 -1.726 0 C-N-CA 123.019 2.479 . . . . 0.0 112.032 179.515 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.487 1.143 0 CA-C-O 120.797 0.249 . . . . 0.0 112.013 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 79.1 p -142.95 -177.3 5.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.588 -179.873 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.94 157.01 47.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.518 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.66 159.63 63.31 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.527 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 C--N 1.304 -1.779 0 C-N-CA 123.006 2.471 . . . . 0.0 111.985 -179.854 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.489 1.218 0 CA-C-O 120.738 0.224 . . . . 0.0 112.05 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.3 p -143.85 -165.04 2.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.634 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.54 -166.12 1.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.589 -179.783 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.501 ' O ' ' O ' ' A' ' 6' ' ' PRO . 0.6 OUTLIER -82.82 159.38 63.43 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.526 -179.881 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.501 ' O ' ' O ' ' A' ' 5' ' ' THR . 2.9 Cg_endo . . . . . 0 C--N 1.304 -1.799 0 C-N-CA 123.014 2.476 . . . . 0.0 111.915 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.487 1.127 0 CA-C-O 120.769 0.237 . . . . 0.0 112.001 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 76.0 p -96.7 -172.21 2.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.55 -179.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 60.3 p -136.66 162.33 33.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.553 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.02 171.94 10.79 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.548 -179.855 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 C--N 1.305 -1.752 0 C-N-CA 123.043 2.495 . . . . 0.0 112.02 179.605 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 N--CA 1.489 1.206 0 CA-C-O 120.758 0.232 . . . . 0.0 111.977 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 74.7 p -143.16 -175.78 4.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.577 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.95 156.64 48.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.589 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.71 155.2 68.4 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.615 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 C--N 1.304 -1.795 0 C-N-CA 123.078 2.519 . . . . 0.0 111.945 -179.705 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.488 1.153 0 CA-C-O 120.844 0.268 . . . . 0.0 111.963 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.93 -107.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.516 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.42 -170.05 2.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.553 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.79 159.49 63.27 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.553 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.305 -1.717 0 C-N-CA 123.038 2.492 . . . . 0.0 112.036 -179.845 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.487 1.108 0 CA-C-O 120.796 0.248 . . . . 0.0 111.994 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 81.7 p -96.64 -174.44 3.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.653 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 32.7 p -136.76 169.29 17.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.555 179.925 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.16 172.26 10.02 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.489 -179.766 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 C--N 1.306 -1.698 0 C-N-CA 123.001 2.467 . . . . 0.0 112.007 179.635 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.487 1.124 0 CA-C-O 120.745 0.227 . . . . 0.0 111.979 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 67.1 p -96.62 -178.92 4.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.607 179.962 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.61 166.81 22.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.568 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -82.46 154.03 68.62 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.545 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.304 -1.772 0 C-N-CA 123.076 2.517 . . . . 0.0 111.985 -179.613 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.487 1.117 0 CA-C-O 120.84 0.267 . . . . 0.0 112.013 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 72.7 p -96.43 177.44 5.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.594 -179.933 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 74.2 p -136.87 156.74 48.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.548 179.994 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.27 154.86 69.55 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.585 -179.822 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 C--N 1.304 -1.812 0 C-N-CA 123.023 2.482 . . . . 0.0 111.964 -179.622 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.488 1.152 0 CA-C-O 120.835 0.265 . . . . 0.0 111.902 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 77.3 p -96.69 -173.16 2.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.569 179.959 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -136.59 168.22 19.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.548 179.955 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.37 172.41 9.63 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.508 -179.947 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 C--N 1.306 -1.686 0 C-N-CA 123.066 2.511 . . . . 0.0 111.989 179.545 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo . . . . . 0 N--CA 1.489 1.206 0 CA-C-O 120.926 0.303 . . . . 0.0 112.207 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 82.3 p -143.52 -177.8 5.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.522 179.879 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -137.03 157.99 45.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.693 179.709 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.79 155.4 68.11 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.66 179.875 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 C--N 1.305 -1.756 0 C-N-CA 123.05 2.5 . . . . 0.0 111.942 -179.749 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.487 1.131 0 CA-C-O 120.805 0.252 . . . . 0.0 112.013 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 74.2 p -143.96 169.02 18.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.521 179.937 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.2 159.84 15.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.568 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.47 159.64 63.8 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.564 -179.938 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.304 -1.784 0 C-N-CA 122.988 2.459 . . . . 0.0 111.964 -179.73 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.061 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.64 165.85 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.985 2.457 . . . . 0.0 112.016 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 76.9 p -143.21 -177.05 5.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.59 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 65.0 p -137.04 153.84 50.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.566 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.4 159.35 64.67 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.532 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.6 99.78 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 123.033 2.488 . . . . 0.0 112.012 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 tp -74.03 115.14 13.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.567 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.539 ' CB ' ' HZ3' ' A' ' 8' ' ' LYS . 2.5 mtpm? -156.49 -47.15 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.541 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.327 0 O-C-N 120.125 -1.61 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.58 164.41 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 123.043 2.496 . . . . 0.0 112.01 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 55.3 p -142.8 156.73 45.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.552 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.3 p -103.38 172.12 6.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.57 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.28 172.15 10.25 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.601 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.52 114.57 4.0 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 123.033 2.489 . . . . 0.0 112.018 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.526 ' N ' ' CD2' ' A' ' 7' ' ' LEU . 3.9 mm? -73.99 67.13 1.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.632 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -156.48 -160.14 0.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.603 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.399 0 O-C-N 120.137 -1.602 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.58 154.35 0.33 Allowed 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 123.046 2.498 . . . . 0.0 111.95 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 81.5 p -143.14 -176.72 5.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.56 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 72.5 p -137.06 154.11 50.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.521 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.45 154.91 69.09 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.586 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.54 102.95 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 123.041 2.494 . . . . 0.0 112.06 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 tp -74.03 132.19 42.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.554 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.462 ' H ' ' CD ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -83.51 173.23 11.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.58 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.385 0 O-C-N 120.23 -1.544 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.05 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.6 149.29 1.09 Allowed 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 123.045 2.497 . . . . 0.0 111.978 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 66.8 p -143.24 172.17 13.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.515 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 67.6 p -136.94 139.61 41.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.536 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.447 ' O ' ' CG2' ' A' ' 5' ' ' THR . 8.7 t -157.49 73.18 4.34 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.564 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.52 14.29 1.0 Allowed 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 123.0 2.467 . . . . 0.0 111.984 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.522 ' N ' ' CD2' ' A' ' 7' ' ' LEU . 3.9 mm? -74.0 177.49 5.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.593 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.63 -82.36 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.531 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 120.214 -1.554 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.417 ' O ' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.232 0.172 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.417 ' O ' ' O ' ' A' ' 1' ' ' ACE . 2.8 Cg_endo -44.61 175.31 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 123.095 2.53 . . . . 0.0 111.943 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 80.3 p -143.02 -177.3 5.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.596 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 79.9 p -136.98 158.85 43.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.558 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -82.43 153.74 68.58 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.567 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.62 130.1 9.36 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 123.007 2.471 . . . . 0.0 112.037 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 40.8 mt -74.03 110.14 8.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.527 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.48 -81.38 0.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.596 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.341 0 O-C-N 120.155 -1.591 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.065 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.48 125.63 6.21 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 123.026 2.484 . . . . 0.0 111.988 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 65.2 p -96.22 176.04 6.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.476 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 82.3 p -137.08 155.85 49.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.634 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.48 159.23 64.73 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.564 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.53 99.86 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.011 2.474 . . . . 0.0 112.002 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.48 ' CG ' ' H ' ' A' ' 8' ' ' LYS . 2.1 tp -165.94 -146.64 0.08 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.582 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.48 ' H ' ' CG ' ' A' ' 7' ' ' LEU . 19.1 pttt -156.5 -124.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.551 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.343 0 O-C-N 120.111 -1.618 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . 0.546 ' HO4' ' H15' ' A' ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . 0.425 ' O6 ' ' O ' ' A' ' 8' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.64 119.18 2.14 Favored 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 122.943 2.429 . . . . 0.0 112.045 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 64.3 p -96.31 175.52 6.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.525 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.97 158.6 44.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.492 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.66 159.52 63.55 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.609 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.54 106.96 0.09 OUTLIER 'Trans proline' 0 C--N 1.304 -1.793 0 C-N-CA 123.043 2.495 . . . . 0.0 112.037 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.0 mt -73.94 -167.34 0.48 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.549 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 ptpt -156.51 42.13 0.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.59 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 120.128 -1.608 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.061 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.61 168.24 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.967 2.445 . . . . 0.0 112.03 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.8 p -142.9 -178.96 6.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.566 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 51.9 p -137.08 163.89 29.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.556 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.34 171.87 10.87 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.586 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.43 115.38 4.21 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.994 2.463 . . . . 0.0 111.996 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.7 tp -166.04 87.09 0.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.517 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 tmtm? -156.55 -62.57 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.529 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 120.079 -1.638 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.085 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.65 136.98 8.98 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 123.004 2.47 . . . . 0.0 112.02 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 55.4 p -96.1 150.54 20.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.553 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.0 165.05 11.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.543 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.68 155.16 68.49 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.583 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.519 ' C ' ' H ' ' A' ' 8' ' ' LYS . 2.8 Cg_endo -44.6 133.47 9.97 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.976 2.451 . . . . 0.0 112.0 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.533 ' N ' ' CD2' ' A' ' 7' ' ' LEU . 3.9 mm? -74.05 24.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.635 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.519 ' H ' ' C ' ' A' ' 6' ' ' PRO . 12.0 ptpt -156.48 -158.12 0.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.584 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 120.108 -1.62 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.154 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.65 156.36 0.23 Allowed 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 123.029 2.486 . . . . 0.0 112.004 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 71.3 p -143.2 -176.38 4.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.619 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.3 p -137.05 151.84 49.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.556 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.45 159.34 64.55 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.58 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.54 99.73 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 123.051 2.501 . . . . 0.0 111.978 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 mt -165.97 99.55 0.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.53 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.5 tmtp? -156.46 35.27 0.32 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.6 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 120.158 -1.588 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.461 ' O ' ' N ' ' A' ' 3' ' ' THR . . . . . . . . 0 C--O 1.231 0.114 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.59 87.17 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 123.03 2.487 . . . . 0.0 112.045 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 1' ' ' ACE . 73.5 p -143.95 168.75 19.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.602 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.01 161.79 13.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.544 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.48 155.12 69.01 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.585 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.63 103.01 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.95 2.433 . . . . 0.0 112.033 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -165.94 100.53 0.66 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.574 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -83.49 82.37 8.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.615 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 120.158 -1.589 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.044 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.53 104.61 1.93 Allowed 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.992 2.461 . . . . 0.0 112.006 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.3 p -96.13 159.53 14.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.596 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.7 p -103.41 164.82 11.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.595 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.478 ' H ' ' HG1' ' A' ' 5' ' ' THR . 0.7 OUTLIER -82.38 154.59 69.12 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.557 -179.78 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.57 103.89 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 123.048 2.498 . . . . 0.0 111.935 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.411 ' CG ' ' H ' ' A' ' 8' ' ' LYS . 2.4 tp -165.97 -150.25 0.12 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.53 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.419 ' O ' ' O6 ' ' A' ' 11' ' ' A2G . 25.0 mtpt -155.97 -104.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.612 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 120.175 -1.578 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . 0.683 ' HO4' ' H15' ' A' ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.57 142.84 4.41 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 123.013 2.475 . . . . 0.0 111.999 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 70.4 p -96.67 -179.15 4.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.559 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -136.64 171.09 15.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.572 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.23 116.08 61.48 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.616 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.43 -175.92 2.68 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.091 2.527 . . . . 0.0 111.997 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.5 mt -74.04 88.43 1.9 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.482 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.407 ' HZ2' ' CB ' ' A' ' 8' ' ' LYS . 0.7 OUTLIER -83.55 -0.66 51.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.522 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.392 0 O-C-N 120.169 -1.582 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.076 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.71 102.21 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 123.008 2.472 . . . . 0.0 111.96 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.9 p -143.86 -167.06 2.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.594 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.637 ' O ' ' C7 ' ' A' ' 10' ' ' A2G . 18.3 p -105.03 -130.43 0.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.571 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.488 ' H ' ' H1 ' ' A' ' 11' ' ' A2G . 0.4 OUTLIER -155.54 154.01 27.45 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.58 -179.914 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.64 96.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 123.051 2.5 . . . . 0.0 111.976 -179.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 mt -166.01 113.49 0.91 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.515 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.2 tptp -83.45 126.22 32.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.565 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 120.136 -1.603 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . 0.637 ' C7 ' ' O ' ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . 0.488 ' H1 ' ' H ' ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.124 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.57 150.84 0.69 Allowed 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 123.046 2.497 . . . . 0.0 112.006 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.1 p -143.24 -176.0 4.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.626 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.1 p -137.07 152.7 50.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.519 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.42 159.41 64.49 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.516 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.62 99.71 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.689 0 C-N-CA 123.069 2.512 . . . . 0.0 111.955 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -165.86 -172.52 2.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.587 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.7 pttp -83.52 -34.01 25.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.633 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . 0.671 ' HN1' ' H15' ' A' ' 11' ' ' A2G . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 120.112 -1.618 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . 0.671 ' H15' ' HN1' ' A' ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.62 139.78 6.94 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 122.995 2.464 . . . . 0.0 112.042 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.6 p -96.84 -176.45 3.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.563 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 29.6 p -136.57 175.34 9.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.555 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.4 m -81.87 131.7 56.44 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.59 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.431 ' C ' ' H ' ' A' ' 8' ' ' LYS . 2.9 Cg_endo -44.66 124.43 5.48 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 123.065 2.51 . . . . 0.0 111.962 -179.54 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.5 tp -74.07 44.8 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.445 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.431 ' H ' ' C ' ' A' ' 6' ' ' PRO . 0.2 OUTLIER -83.5 -72.84 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.629 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.351 0 O-C-N 120.19 -1.569 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.422 ' O ' ' N ' ' A' ' 3' ' ' THR . . . . . . . . 0 C--O 1.231 0.113 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.66 89.73 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 123.016 2.477 . . . . 0.0 112.058 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 1' ' ' ACE . 58.5 p -143.92 -166.14 2.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.59 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 53.1 p -136.97 165.22 26.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.55 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.42 165.87 39.82 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.551 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.53 124.91 8.62 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 123.031 2.488 . . . . 0.0 111.989 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.405 ' C ' ' CD1' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -165.95 103.69 0.67 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.555 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -83.45 169.66 15.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.532 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 120.164 -1.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.54 128.47 11.09 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.988 2.459 . . . . 0.0 111.961 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 70.7 p -96.11 162.3 13.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.523 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 47.7 p -103.3 161.18 14.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.576 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.48 158.98 65.28 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.506 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.59 125.81 6.5 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 123.074 2.516 . . . . 0.0 111.952 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.11 141.93 45.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.563 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -156.51 26.34 0.34 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.556 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.336 0 O-C-N 120.151 -1.593 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.57 139.76 23.2 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 123.037 2.491 . . . . 0.0 111.936 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 78.3 p -143.06 164.05 31.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.544 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.01 162.38 12.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.564 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.71 159.61 63.23 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.504 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.51 101.68 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.994 2.463 . . . . 0.0 112.035 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.05 137.29 43.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.595 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.2 tttp -83.43 -58.5 2.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.54 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.329 0 O-C-N 120.168 -1.583 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.61 109.7 0.18 Allowed 'Trans proline' 0 C--N 1.304 -1.787 0 C-N-CA 123.029 2.486 . . . . 0.0 112.015 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.1 p -96.68 -163.82 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.616 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.454 ' O ' ' C7 ' ' A' ' 10' ' ' A2G . 0.6 OUTLIER -100.56 -166.73 1.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.607 -179.711 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.83 172.3 9.79 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.546 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.51 171.27 18.56 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.99 2.46 . . . . 0.0 111.982 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.9 mp -74.08 167.96 20.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.566 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.4 ' CD ' ' N ' ' A' ' 9' ' ' NH2 . 0.6 OUTLIER -83.53 138.09 33.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.591 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . 0.4 ' N ' ' CD ' ' A' ' 8' ' ' LYS . . . . . . . . 0 C--N 1.305 -1.331 0 O-C-N 120.107 -1.62 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . 0.454 ' C7 ' ' O ' ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . 0.552 ' HO4' ' H15' ' A' ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.64 123.39 4.68 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 123.062 2.508 . . . . 0.0 111.994 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 58.7 p -96.55 158.34 15.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.577 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 35.3 p -103.73 167.49 9.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.57 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.14 154.8 69.87 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.563 -179.795 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.71 145.1 2.96 Favored 'Trans proline' 0 C--N 1.306 -1.689 0 C-N-CA 122.968 2.445 . . . . 0.0 111.988 -179.498 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.633 ' CD1' ' H ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -73.76 177.66 5.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.595 -179.981 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.72 -173.59 4.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.577 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.364 0 O-C-N 120.18 -1.575 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.47 119.19 5.42 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 123.002 2.468 . . . . 0.0 112.01 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.5 p -143.25 -176.18 4.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.551 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 72.2 p -137.0 154.69 50.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.583 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -82.53 153.94 68.41 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.512 -179.836 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.62 101.86 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.988 2.459 . . . . 0.0 112.053 -179.535 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.0 tp -74.05 141.27 45.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.549 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -156.53 97.82 1.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.599 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 120.122 -1.611 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.125 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.58 145.31 2.73 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 123.027 2.485 . . . . 0.0 111.982 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 64.7 p -96.35 160.72 14.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.569 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 38.6 p -103.53 163.04 12.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.586 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.25 159.26 65.32 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.531 -179.751 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.59 99.59 0.03 OUTLIER 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.99 2.46 . . . . 0.0 112.052 -179.711 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -165.96 102.22 0.66 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.621 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.5 pptp? -83.52 165.07 19.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.497 -179.917 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.318 0 O-C-N 120.085 -1.634 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . 0.4 ' O6 ' ' O4 ' ' A' ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.156 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.55 120.58 2.79 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 123.054 2.503 . . . . 0.0 112.056 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 80.9 p -96.12 179.96 4.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.53 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.8 p -136.74 139.65 42.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.538 -179.846 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 98.2 m -157.32 72.93 4.45 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.526 -179.776 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.53 11.4 1.6 Allowed 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 123.015 2.476 . . . . 0.0 111.977 179.276 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.96 146.13 44.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.57 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.0 ptpt -156.49 26.7 0.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.491 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.377 0 O-C-N 120.105 -1.622 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . 0.463 ' HO4' ' HO3' ' A' ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.51 128.72 8.47 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 123.046 2.497 . . . . 0.0 111.963 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 59.3 p -96.52 176.84 5.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.503 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.76 169.37 17.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.506 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.6 p -82.61 115.97 61.25 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.573 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.51 -178.71 4.46 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 123.019 2.479 . . . . 0.0 112.032 179.515 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 tp -166.0 48.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.581 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -156.04 106.06 2.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.57 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 120.127 -1.608 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.072 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.63 165.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 123.005 2.47 . . . . 0.0 112.013 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 79.1 p -142.95 -177.3 5.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.588 -179.873 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.94 157.01 47.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.518 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.66 159.63 63.31 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.527 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.73 103.02 0.04 OUTLIER 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 123.006 2.471 . . . . 0.0 111.985 -179.854 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.48 ' CG ' ' H ' ' A' ' 8' ' ' LYS . 2.2 tp -74.05 -146.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.545 -179.956 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.48 ' H ' ' CG ' ' A' ' 7' ' ' LEU . 9.5 tptm -156.47 109.77 2.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.565 179.966 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.298 0 O-C-N 120.109 -1.619 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.57 173.87 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.925 2.417 . . . . 0.0 112.05 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.3 p -143.85 -165.04 2.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.634 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.491 ' O ' ' C7 ' ' A' ' 10' ' ' A2G . 0.1 OUTLIER -101.54 -166.12 1.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.589 -179.783 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.501 ' O ' ' O ' ' A' ' 6' ' ' PRO . 0.6 OUTLIER -82.82 159.38 63.43 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.526 -179.881 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.501 ' O ' ' O ' ' A' ' 5' ' ' THR . 2.9 Cg_endo -44.7 -178.31 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.799 0 C-N-CA 123.014 2.476 . . . . 0.0 111.915 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.554 ' N ' ' CD2' ' A' ' 7' ' ' LEU . 0.9 OUTLIER -165.53 -178.56 4.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.615 -179.986 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -83.45 -58.92 2.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.524 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 120.142 -1.599 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . 0.491 ' C7 ' ' O ' ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . 0.474 ' O6 ' ' O4 ' ' A' ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.085 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.73 148.91 1.25 Allowed 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 122.99 2.46 . . . . 0.0 112.001 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 76.0 p -96.7 -172.21 2.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.55 -179.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 60.3 p -136.66 162.33 33.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.553 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.02 171.94 10.79 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.548 -179.855 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.46 116.97 4.65 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 123.043 2.495 . . . . 0.0 112.02 179.605 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.465 ' CD1' ' C ' ' A' ' 7' ' ' LEU . 4.3 pp -73.92 176.97 5.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.542 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.9 pttm -156.49 20.92 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.547 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.351 0 O-C-N 120.197 -1.564 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.057 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.44 100.84 1.41 Allowed 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 123.051 2.501 . . . . 0.0 111.977 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 74.7 p -143.16 -175.78 4.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.577 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.95 156.64 48.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.589 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.71 155.2 68.4 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.615 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.62 104.01 0.05 OUTLIER 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 123.078 2.519 . . . . 0.0 111.945 -179.705 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 mt -74.02 116.3 14.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.55 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.0 pttp -156.46 145.4 20.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.577 179.96 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.346 0 O-C-N 120.235 -1.541 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.58 119.95 2.49 Favored 'Trans proline' 0 C--N 1.304 -1.793 0 C-N-CA 123.067 2.511 . . . . 0.0 111.963 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.93 -107.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.516 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.599 ' O ' ' C7 ' ' A' ' 10' ' ' A2G . 0.0 OUTLIER -139.42 -170.05 2.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.553 -179.961 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.79 159.49 63.27 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.553 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.53 156.72 0.21 Allowed 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 123.038 2.492 . . . . 0.0 112.036 -179.845 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 mp -73.91 148.58 42.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.541 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.0 mmtp -83.51 3.1 33.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.542 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.326 0 O-C-N 120.082 -1.636 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . 0.599 ' C7 ' ' O ' ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.53 109.28 0.16 Allowed 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 123.064 2.509 . . . . 0.0 111.994 . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 81.7 p -96.64 -174.44 3.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.653 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 32.7 p -136.76 169.29 17.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.555 179.925 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.16 172.26 10.02 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.489 -179.766 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.52 111.64 3.35 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 123.001 2.467 . . . . 0.0 112.007 179.635 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.7 mt -73.95 158.9 33.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.591 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -156.05 -63.43 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.576 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 120.228 -1.545 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . 0.494 ' O6 ' ' O4 ' ' A' ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.52 144.69 28.89 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 123.015 2.476 . . . . 0.0 111.979 . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 67.1 p -96.62 -178.92 4.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.607 179.962 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.61 166.81 22.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.568 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -82.46 154.03 68.62 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.545 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.59 157.62 0.18 Allowed 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 123.076 2.517 . . . . 0.0 111.985 -179.613 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -165.89 25.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.577 179.945 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -156.49 -173.66 4.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.62 179.996 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.391 0 O-C-N 120.141 -1.599 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.071 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.58 119.5 2.27 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 123.05 2.5 . . . . 0.0 112.013 . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 72.7 p -96.43 177.44 5.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.594 -179.933 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 74.2 p -136.87 156.74 48.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.548 179.994 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.27 154.86 69.55 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.585 -179.822 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.6 133.98 9.89 Favored 'Trans proline' 0 C--N 1.304 -1.812 0 C-N-CA 123.023 2.482 . . . . 0.0 111.964 -179.622 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.9 mt -73.97 114.06 11.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.529 179.976 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.461 ' H ' ' CD ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -83.45 4.41 27.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.577 179.968 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.321 0 O-C-N 120.137 -1.602 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.54 144.42 28.52 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 123.1 2.533 . . . . 0.0 111.902 . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 77.3 p -96.69 -173.16 2.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.569 179.959 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -136.59 168.22 19.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.548 179.955 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.37 172.41 9.63 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.508 -179.947 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.47 114.13 3.91 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 123.066 2.511 . . . . 0.0 111.989 179.545 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.481 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 9.5 mp -73.98 63.02 0.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.606 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.7 ptmt -156.48 -12.54 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.57 -179.945 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 120.163 -1.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.032 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -45.63 176.47 0.01 OUTLIER 'Trans proline' 0 C--N 1.303 -1.839 0 C-N-CA 122.929 2.419 . . . . 0.0 112.207 . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 82.3 p -143.52 -177.8 5.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.522 179.879 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -137.03 157.99 45.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.693 179.709 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.79 155.4 68.11 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.66 179.875 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.65 118.2 1.74 Allowed 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 123.05 2.5 . . . . 0.0 111.942 -179.749 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 mp -74.0 93.45 2.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.536 179.993 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.0 tttt -83.53 154.68 23.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.57 179.975 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 120.138 -1.601 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.462 ' O ' ' N ' ' A' ' 3' ' ' THR . . . . . . . . 0 C--O 1.232 0.154 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.66 87.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 123.028 2.485 . . . . 0.0 112.013 . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 1' ' ' ACE . 74.2 p -143.96 169.02 18.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.521 179.937 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.2 159.84 15.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.568 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.47 159.64 63.8 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.564 -179.938 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.56 100.03 0.04 OUTLIER 'Trans proline' 0 C--N 1.304 -1.784 0 C-N-CA 122.988 2.459 . . . . 0.0 111.964 -179.73 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 tt -165.97 113.96 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.61 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.534 ' HZ2' ' CB ' ' A' ' 8' ' ' LYS . 2.2 ttmp? -83.59 122.92 29.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.556 179.999 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.38 0 O-C-N 120.151 -1.593 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.488 1.149 0 CA-C-O 120.775 0.24 . . . . 0.0 112.016 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 76.9 p -143.21 -177.05 5.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.59 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 65.0 p -137.04 153.84 50.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.566 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.4 159.35 64.67 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.532 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.305 -1.73 0 C-N-CA 123.033 2.488 . . . . 0.0 112.012 -179.747 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.487 1.107 0 CA-C-O 120.816 0.257 . . . . 0.0 112.01 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 55.3 p -142.8 156.73 45.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.552 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.3 p -103.38 172.12 6.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.57 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.28 172.15 10.25 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.601 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 C--N 1.305 -1.745 0 C-N-CA 123.033 2.489 . . . . 0.0 112.018 179.554 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.488 1.16 0 CA-C-O 120.814 0.256 . . . . 0.0 111.95 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 81.5 p -143.14 -176.72 5.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.56 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 72.5 p -137.06 154.11 50.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.521 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.45 154.91 69.09 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.586 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.305 -1.745 0 C-N-CA 123.041 2.494 . . . . 0.0 112.06 -179.666 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.487 1.143 0 CA-C-O 120.813 0.256 . . . . 0.0 111.978 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 66.8 p -143.24 172.17 13.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.515 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 67.6 p -136.94 139.61 41.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.536 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.726 HG23 ' O ' ' A' ' 5' ' ' THR . 8.7 t -157.49 73.18 4.34 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.564 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 C--N 1.305 -1.725 0 C-N-CA 123.0 2.467 . . . . 0.0 111.984 179.451 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.488 1.152 0 CA-C-O 120.822 0.259 . . . . 0.0 111.943 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 80.3 p -143.02 -177.3 5.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.596 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 79.9 p -136.98 158.85 43.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.558 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -82.43 153.74 68.58 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.567 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.305 -1.728 0 C-N-CA 123.007 2.471 . . . . 0.0 112.037 -179.544 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.488 1.17 0 CA-C-O 120.75 0.229 . . . . 0.0 111.988 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 65.2 p -96.22 176.04 6.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.476 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 82.3 p -137.08 155.85 49.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.634 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.48 159.23 64.73 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.564 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.305 -1.741 0 C-N-CA 123.011 2.474 . . . . 0.0 112.002 -179.728 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.488 1.175 0 CA-C-O 120.746 0.228 . . . . 0.0 112.045 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 64.3 p -96.31 175.52 6.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.525 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.97 158.6 44.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.492 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.66 159.52 63.55 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.609 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 C--N 1.304 -1.793 0 C-N-CA 123.043 2.495 . . . . 0.0 112.037 -179.81 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.488 1.176 0 CA-C-O 120.788 0.245 . . . . 0.0 112.03 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.8 p -142.9 -178.96 6.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.566 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 51.9 p -137.08 163.89 29.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.556 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.34 171.87 10.87 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.586 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 C--N 1.305 -1.743 0 C-N-CA 122.994 2.463 . . . . 0.0 111.996 179.579 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.487 1.116 0 CA-C-O 120.792 0.246 . . . . 0.0 112.02 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 55.4 p -96.1 150.54 20.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.553 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.0 165.05 11.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.543 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.68 155.16 68.49 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.583 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.305 -1.759 0 C-N-CA 122.976 2.451 . . . . 0.0 112.0 -179.756 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.487 1.138 0 CA-C-O 120.783 0.243 . . . . 0.0 112.004 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 71.3 p -143.2 -176.38 4.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.619 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.3 p -137.05 151.84 49.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.556 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.45 159.34 64.55 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.58 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 C--N 1.305 -1.746 0 C-N-CA 123.051 2.501 . . . . 0.0 111.978 -179.694 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.487 1.119 0 CA-C-O 120.874 0.281 . . . . 0.0 112.045 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 73.5 p -143.95 168.75 19.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.602 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.01 161.79 13.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.544 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.48 155.12 69.01 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.585 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 C--N 1.305 -1.732 0 C-N-CA 122.95 2.433 . . . . 0.0 112.033 -179.698 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 N--CA 1.487 1.14 0 CA-C-O 120.813 0.255 . . . . 0.0 112.006 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.3 p -96.13 159.53 14.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.596 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.7 p -103.41 164.82 11.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.595 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.38 154.59 69.12 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.557 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.305 -1.739 0 C-N-CA 123.048 2.498 . . . . 0.0 111.935 -179.616 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.488 1.18 0 CA-C-O 120.798 0.249 . . . . 0.0 111.999 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 70.4 p -96.67 -179.15 4.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.559 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -136.64 171.09 15.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.572 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.23 116.08 61.48 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.616 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 C--N 1.305 -1.741 0 C-N-CA 123.091 2.527 . . . . 0.0 111.997 179.478 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.489 1.208 0 CA-C-O 120.842 0.268 . . . . 0.0 111.96 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.9 p -143.86 -167.06 2.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.594 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.3 p -105.03 -130.43 0.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.571 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -155.54 154.01 27.45 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.58 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.304 -1.764 0 C-N-CA 123.051 2.5 . . . . 0.0 111.976 -179.369 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.487 1.093 0 CA-C-O 120.713 0.214 . . . . 0.0 112.006 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.1 p -143.24 -176.0 4.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.626 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.1 p -137.07 152.7 50.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.519 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.42 159.41 64.49 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.516 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.306 -1.689 0 C-N-CA 123.069 2.512 . . . . 0.0 111.955 -179.686 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.487 1.137 0 CA-C-O 120.777 0.241 . . . . 0.0 112.042 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.6 p -96.84 -176.45 3.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.563 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 29.6 p -136.57 175.34 9.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.555 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.4 m -81.87 131.7 56.44 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.59 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 C--N 1.304 -1.771 0 C-N-CA 123.065 2.51 . . . . 0.0 111.962 -179.54 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.489 1.25 0 CA-C-O 120.803 0.251 . . . . 0.0 112.058 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 58.5 p -143.92 -166.14 2.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.59 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 53.1 p -136.97 165.22 26.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.55 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.42 165.87 39.82 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.551 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 C--N 1.305 -1.718 0 C-N-CA 123.031 2.488 . . . . 0.0 111.989 179.711 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.487 1.118 0 CA-C-O 120.848 0.27 . . . . 0.0 111.961 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 70.7 p -96.11 162.3 13.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.523 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 47.7 p -103.3 161.18 14.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.576 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.48 158.98 65.28 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.506 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 C--N 1.304 -1.768 0 C-N-CA 123.074 2.516 . . . . 0.0 111.952 -179.716 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.488 1.158 0 CA-C-O 120.759 0.233 . . . . 0.0 111.936 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 78.3 p -143.06 164.05 31.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.544 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.01 162.38 12.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.564 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.71 159.61 63.23 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.504 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.306 -1.704 0 C-N-CA 122.994 2.463 . . . . 0.0 112.035 -179.811 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.488 1.165 0 CA-C-O 120.825 0.261 . . . . 0.0 112.015 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.1 p -96.68 -163.82 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.616 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -100.56 -166.73 1.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.607 -179.711 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.454 HG23 ' H ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -82.83 172.3 9.79 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.546 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 C--N 1.305 -1.714 0 C-N-CA 122.99 2.46 . . . . 0.0 111.982 179.488 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.487 1.124 0 CA-C-O 120.821 0.259 . . . . 0.0 111.994 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 58.7 p -96.55 158.34 15.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.577 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 35.3 p -103.73 167.49 9.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.57 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.14 154.8 69.87 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.563 -179.795 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 C--N 1.306 -1.689 0 C-N-CA 122.968 2.445 . . . . 0.0 111.988 -179.498 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 N--CA 1.487 1.111 0 CA-C-O 120.851 0.271 . . . . 0.0 112.01 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.5 p -143.25 -176.18 4.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.551 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 72.2 p -137.0 154.69 50.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.583 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -82.53 153.94 68.41 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.512 -179.836 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.306 -1.699 0 C-N-CA 122.988 2.459 . . . . 0.0 112.053 -179.535 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.487 1.143 0 CA-C-O 120.866 0.278 . . . . 0.0 111.982 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 64.7 p -96.35 160.72 14.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.569 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 38.6 p -103.53 163.04 12.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.586 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.25 159.26 65.32 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.531 -179.751 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.304 -1.774 0 C-N-CA 122.99 2.46 . . . . 0.0 112.052 -179.711 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.487 1.143 0 CA-C-O 120.763 0.235 . . . . 0.0 112.056 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 80.9 p -96.12 179.96 4.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.53 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.8 p -136.74 139.65 42.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.538 -179.846 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.46 ' O ' HG22 ' A' ' 5' ' ' THR . 98.2 m -157.32 72.93 4.45 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.526 -179.776 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 C--N 1.304 -1.765 0 C-N-CA 123.015 2.476 . . . . 0.0 111.977 179.276 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.488 1.15 0 CA-C-O 120.769 0.237 . . . . 0.0 111.963 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 59.3 p -96.52 176.84 5.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.503 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.76 169.37 17.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.506 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.6 p -82.61 115.97 61.25 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.573 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 C--N 1.305 -1.726 0 C-N-CA 123.019 2.479 . . . . 0.0 112.032 179.515 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.487 1.143 0 CA-C-O 120.797 0.249 . . . . 0.0 112.013 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 79.1 p -142.95 -177.3 5.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.588 -179.873 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.94 157.01 47.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.518 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.66 159.63 63.31 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.527 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 C--N 1.304 -1.779 0 C-N-CA 123.006 2.471 . . . . 0.0 111.985 -179.854 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.489 1.218 0 CA-C-O 120.738 0.224 . . . . 0.0 112.05 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.3 p -143.85 -165.04 2.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.634 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.54 -166.12 1.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.589 -179.783 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.501 ' O ' ' O ' ' A' ' 6' ' ' PRO . 0.6 OUTLIER -82.82 159.38 63.43 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.526 -179.881 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.501 ' O ' ' O ' ' A' ' 5' ' ' THR . 2.9 Cg_endo . . . . . 0 C--N 1.304 -1.799 0 C-N-CA 123.014 2.476 . . . . 0.0 111.915 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.487 1.127 0 CA-C-O 120.769 0.237 . . . . 0.0 112.001 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 76.0 p -96.7 -172.21 2.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.55 -179.955 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 60.3 p -136.66 162.33 33.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.553 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.414 ' H ' HG23 ' A' ' 5' ' ' THR . 0.0 OUTLIER -82.02 171.94 10.79 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.548 -179.855 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 C--N 1.305 -1.752 0 C-N-CA 123.043 2.495 . . . . 0.0 112.02 179.605 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 N--CA 1.489 1.206 0 CA-C-O 120.758 0.232 . . . . 0.0 111.977 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 74.7 p -143.16 -175.78 4.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.577 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.95 156.64 48.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.589 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.71 155.2 68.4 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.615 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 C--N 1.304 -1.795 0 C-N-CA 123.078 2.519 . . . . 0.0 111.945 -179.705 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.488 1.153 0 CA-C-O 120.844 0.268 . . . . 0.0 111.963 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.93 -107.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.516 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.42 -170.05 2.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.553 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.79 159.49 63.27 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.553 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.305 -1.717 0 C-N-CA 123.038 2.492 . . . . 0.0 112.036 -179.845 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.487 1.108 0 CA-C-O 120.796 0.248 . . . . 0.0 111.994 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 81.7 p -96.64 -174.44 3.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.653 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 32.7 p -136.76 169.29 17.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.555 179.925 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.415 HG23 ' H ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -82.16 172.26 10.02 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.489 -179.766 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 C--N 1.306 -1.698 0 C-N-CA 123.001 2.467 . . . . 0.0 112.007 179.635 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.487 1.124 0 CA-C-O 120.745 0.227 . . . . 0.0 111.979 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 67.1 p -96.62 -178.92 4.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.607 179.962 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.61 166.81 22.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.568 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -82.46 154.03 68.62 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.545 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.304 -1.772 0 C-N-CA 123.076 2.517 . . . . 0.0 111.985 -179.613 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.487 1.117 0 CA-C-O 120.84 0.267 . . . . 0.0 112.013 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 72.7 p -96.43 177.44 5.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.594 -179.933 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 74.2 p -136.87 156.74 48.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.548 179.994 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.27 154.86 69.55 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.585 -179.822 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 C--N 1.304 -1.812 0 C-N-CA 123.023 2.482 . . . . 0.0 111.964 -179.622 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.488 1.152 0 CA-C-O 120.835 0.265 . . . . 0.0 111.902 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 77.3 p -96.69 -173.16 2.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.569 179.959 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -136.59 168.22 19.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.548 179.955 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.431 ' H ' HG23 ' A' ' 5' ' ' THR . 0.0 OUTLIER -82.37 172.41 9.63 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.508 -179.947 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 C--N 1.306 -1.686 0 C-N-CA 123.066 2.511 . . . . 0.0 111.989 179.545 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo . . . . . 0 N--CA 1.489 1.206 0 CA-C-O 120.926 0.303 . . . . 0.0 112.207 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 82.3 p -143.52 -177.8 5.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.522 179.879 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -137.03 157.99 45.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.693 179.709 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.79 155.4 68.11 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.66 179.875 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 C--N 1.305 -1.756 0 C-N-CA 123.05 2.5 . . . . 0.0 111.942 -179.749 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.487 1.131 0 CA-C-O 120.805 0.252 . . . . 0.0 112.013 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 74.2 p -143.96 169.02 18.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.521 179.937 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.2 159.84 15.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.568 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.47 159.64 63.8 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.564 -179.938 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.304 -1.784 0 C-N-CA 122.988 2.459 . . . . 0.0 111.964 -179.73 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.061 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.64 165.85 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.985 2.457 . . . . 0.0 112.016 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 76.9 p -143.21 -177.05 5.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.59 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.435 HG21 ' H5 ' ' A' ' 11' ' ' A2G . 65.0 p -137.04 153.84 50.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.566 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.4 159.35 64.67 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.532 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.6 99.78 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 123.033 2.488 . . . . 0.0 112.012 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 tp -74.03 115.14 13.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.567 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -156.49 -47.15 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.541 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.327 0 O-C-N 120.125 -1.61 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 11' ' ' A2G . . . . . 0.435 ' H5 ' HG21 ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.58 164.41 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 123.043 2.496 . . . . 0.0 112.01 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 55.3 p -142.8 156.73 45.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.552 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.3 p -103.38 172.12 6.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.57 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.28 172.15 10.25 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.601 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.52 114.57 4.0 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 123.033 2.489 . . . . 0.0 112.018 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.557 HD22 ' N ' ' A' ' 7' ' ' LEU . 3.9 mm? -73.99 67.13 1.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.632 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -156.48 -160.14 0.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.603 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.399 0 O-C-N 120.137 -1.602 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.58 154.35 0.33 Allowed 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 123.046 2.498 . . . . 0.0 111.95 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 81.5 p -143.14 -176.72 5.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.56 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.452 HG21 ' H5 ' ' A' ' 11' ' ' A2G . 72.5 p -137.06 154.11 50.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.521 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.45 154.91 69.09 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.586 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.54 102.95 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 123.041 2.494 . . . . 0.0 112.06 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.46 HD22 ' O6 ' ' A' ' 11' ' ' A2G . 1.1 tp -74.03 132.19 42.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.554 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.533 ' H ' ' CD ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -83.51 173.23 11.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.58 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.385 0 O-C-N 120.23 -1.544 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 11' ' ' A2G . . . . . 0.46 ' O6 ' HD22 ' A' ' 7' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.05 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.6 149.29 1.09 Allowed 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 123.045 2.497 . . . . 0.0 111.978 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 66.8 p -143.24 172.17 13.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.515 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 67.6 p -136.94 139.61 41.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.536 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.726 HG23 ' O ' ' A' ' 5' ' ' THR . 8.7 t -157.49 73.18 4.34 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.564 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.52 14.29 1.0 Allowed 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 123.0 2.467 . . . . 0.0 111.984 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.556 HD22 ' N ' ' A' ' 7' ' ' LEU . 3.9 mm? -74.0 177.49 5.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.593 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.407 ' H ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -83.63 -82.36 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.531 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 120.214 -1.554 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.417 ' O ' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.232 0.172 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.417 ' O ' ' O ' ' A' ' 1' ' ' ACE . 2.8 Cg_endo -44.61 175.31 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 123.095 2.53 . . . . 0.0 111.943 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 80.3 p -143.02 -177.3 5.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.596 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.44 HG21 ' H5 ' ' A' ' 11' ' ' A2G . 79.9 p -136.98 158.85 43.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.558 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -82.43 153.74 68.58 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.567 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.62 130.1 9.36 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 123.007 2.471 . . . . 0.0 112.037 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.572 HD11 ' O4 ' ' A' ' 11' ' ' A2G . 40.8 mt -74.03 110.14 8.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.527 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.48 -81.38 0.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.596 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.341 0 O-C-N 120.155 -1.591 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 11' ' ' A2G . . . . . 0.572 ' O4 ' HD11 ' A' ' 7' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.065 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.48 125.63 6.21 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 123.026 2.484 . . . . 0.0 111.988 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 65.2 p -96.22 176.04 6.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.476 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.419 HG21 ' H5 ' ' A' ' 11' ' ' A2G . 82.3 p -137.08 155.85 49.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.634 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.48 159.23 64.73 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.564 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.53 99.86 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.011 2.474 . . . . 0.0 112.002 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.457 ' CG ' ' H ' ' A' ' 8' ' ' LYS . 2.1 tp -165.94 -146.64 0.08 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.582 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.457 ' H ' ' CG ' ' A' ' 7' ' ' LEU . 19.1 pttt -156.5 -124.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.551 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.343 0 O-C-N 120.111 -1.618 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 11' ' ' A2G . . . . . 0.419 ' H5 ' HG21 ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.64 119.18 2.14 Favored 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 122.943 2.429 . . . . 0.0 112.045 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 64.3 p -96.31 175.52 6.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.525 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.97 158.6 44.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.492 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.66 159.52 63.55 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.609 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.54 106.96 0.09 OUTLIER 'Trans proline' 0 C--N 1.304 -1.793 0 C-N-CA 123.043 2.495 . . . . 0.0 112.037 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.0 mt -73.94 -167.34 0.48 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.549 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 ptpt -156.51 42.13 0.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.59 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 120.128 -1.608 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.061 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.61 168.24 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.967 2.445 . . . . 0.0 112.03 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.8 p -142.9 -178.96 6.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.566 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 51.9 p -137.08 163.89 29.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.556 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.34 171.87 10.87 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.586 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.43 115.38 4.21 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.994 2.463 . . . . 0.0 111.996 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.7 tp -166.04 87.09 0.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.517 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 tmtm? -156.55 -62.57 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.529 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 120.079 -1.638 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.085 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.65 136.98 8.98 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 123.004 2.47 . . . . 0.0 112.02 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 55.4 p -96.1 150.54 20.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.553 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.0 165.05 11.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.543 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.68 155.16 68.49 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.583 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.499 ' C ' ' H ' ' A' ' 8' ' ' LYS . 2.8 Cg_endo -44.6 133.47 9.97 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.976 2.451 . . . . 0.0 112.0 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.565 HD22 ' N ' ' A' ' 7' ' ' LEU . 3.9 mm? -74.05 24.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.635 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.499 ' H ' ' C ' ' A' ' 6' ' ' PRO . 12.0 ptpt -156.48 -158.12 0.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.584 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 120.108 -1.62 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.154 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.65 156.36 0.23 Allowed 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 123.029 2.486 . . . . 0.0 112.004 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 71.3 p -143.2 -176.38 4.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.619 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.44 HG21 ' H5 ' ' A' ' 11' ' ' A2G . 71.3 p -137.05 151.84 49.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.556 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.45 159.34 64.55 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.58 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.54 99.73 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 123.051 2.501 . . . . 0.0 111.978 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 mt -165.97 99.55 0.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.53 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.5 tmtp? -156.46 35.27 0.32 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.6 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 120.158 -1.588 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 11' ' ' A2G . . . . . 0.44 ' H5 ' HG21 ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.461 ' O ' ' N ' ' A' ' 3' ' ' THR . . . . . . . . 0 C--O 1.231 0.114 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.59 87.17 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 123.03 2.487 . . . . 0.0 112.045 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 1' ' ' ACE . 73.5 p -143.95 168.75 19.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.602 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.01 161.79 13.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.544 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.48 155.12 69.01 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.585 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.63 103.01 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.95 2.433 . . . . 0.0 112.033 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.47 HD22 ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -165.94 100.53 0.66 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.574 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -83.49 82.37 8.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.615 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 120.158 -1.589 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.044 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.53 104.61 1.93 Allowed 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.992 2.461 . . . . 0.0 112.006 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.3 p -96.13 159.53 14.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.596 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.438 HG21 ' H5 ' ' A' ' 11' ' ' A2G . 40.7 p -103.41 164.82 11.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.595 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.38 154.59 69.12 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.557 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.57 103.89 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 123.048 2.498 . . . . 0.0 111.935 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 tp -165.97 -150.25 0.12 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.53 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.419 ' O ' ' O6 ' ' A' ' 11' ' ' A2G . 25.0 mtpt -155.97 -104.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.612 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 120.175 -1.578 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 11' ' ' A2G . . . . . 0.438 ' H5 ' HG21 ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.57 142.84 4.41 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 123.013 2.475 . . . . 0.0 111.999 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 70.4 p -96.67 -179.15 4.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.559 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -136.64 171.09 15.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.572 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.23 116.08 61.48 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.616 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.43 -175.92 2.68 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.091 2.527 . . . . 0.0 111.997 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.5 mt -74.04 88.43 1.9 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.482 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.55 -0.66 51.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.522 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.392 0 O-C-N 120.169 -1.582 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.076 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.71 102.21 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 123.008 2.472 . . . . 0.0 111.96 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.9 p -143.86 -167.06 2.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.594 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.637 ' O ' ' C7 ' ' A' ' 10' ' ' A2G . 18.3 p -105.03 -130.43 0.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.571 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -155.54 154.01 27.45 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.58 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.64 96.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 123.051 2.5 . . . . 0.0 111.976 -179.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 mt -166.01 113.49 0.91 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.515 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.2 tptp -83.45 126.22 32.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.565 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 120.136 -1.603 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.637 ' C7 ' ' O ' ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.124 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.57 150.84 0.69 Allowed 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 123.046 2.497 . . . . 0.0 112.006 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.1 p -143.24 -176.0 4.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.626 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.438 HG21 ' H5 ' ' A' ' 11' ' ' A2G . 64.1 p -137.07 152.7 50.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.519 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.42 159.41 64.49 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.516 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.62 99.71 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.689 0 C-N-CA 123.069 2.512 . . . . 0.0 111.955 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -165.86 -172.52 2.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.587 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.7 pttp -83.52 -34.01 25.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.633 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . 0.557 ' N ' ' H15' ' A' ' 11' ' ' A2G . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 120.112 -1.618 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 11' ' ' A2G . . . . . 0.557 ' H15' ' N ' ' A' ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.62 139.78 6.94 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 122.995 2.464 . . . . 0.0 112.042 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.6 p -96.84 -176.45 3.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.563 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.501 HG21 ' H5 ' ' A' ' 11' ' ' A2G . 29.6 p -136.57 175.34 9.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.555 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.4 m -81.87 131.7 56.44 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.59 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.66 124.43 5.48 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 123.065 2.51 . . . . 0.0 111.962 -179.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.5 tp -74.07 44.8 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.445 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.5 -72.84 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.629 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.351 0 O-C-N 120.19 -1.569 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 11' ' ' A2G . . . . . 0.501 ' H5 ' HG21 ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.422 ' O ' ' N ' ' A' ' 3' ' ' THR . . . . . . . . 0 C--O 1.231 0.113 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.66 89.73 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 123.016 2.477 . . . . 0.0 112.058 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 1' ' ' ACE . 58.5 p -143.92 -166.14 2.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.59 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 53.1 p -136.97 165.22 26.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.55 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.42 165.87 39.82 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.551 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.53 124.91 8.62 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 123.031 2.488 . . . . 0.0 111.989 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.466 HD22 ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -165.95 103.69 0.67 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.555 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.4 ' N ' HD13 ' A' ' 7' ' ' LEU . 7.8 ptmt -83.45 169.66 15.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.532 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 120.164 -1.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.54 128.47 11.09 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.988 2.459 . . . . 0.0 111.961 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 70.7 p -96.11 162.3 13.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.523 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.416 HG21 ' H5 ' ' A' ' 11' ' ' A2G . 47.7 p -103.3 161.18 14.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.576 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.48 158.98 65.28 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.506 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.59 125.81 6.5 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 123.074 2.516 . . . . 0.0 111.952 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.11 141.93 45.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.563 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -156.51 26.34 0.34 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.556 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.336 0 O-C-N 120.151 -1.593 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 11' ' ' A2G . . . . . 0.416 ' H5 ' HG21 ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.57 139.76 23.2 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 123.037 2.491 . . . . 0.0 111.936 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 78.3 p -143.06 164.05 31.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.544 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.01 162.38 12.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.564 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.71 159.61 63.23 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.504 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.51 101.68 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.994 2.463 . . . . 0.0 112.035 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.05 137.29 43.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.595 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.2 tttp -83.43 -58.5 2.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.54 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.329 0 O-C-N 120.168 -1.583 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.61 109.7 0.18 Allowed 'Trans proline' 0 C--N 1.304 -1.787 0 C-N-CA 123.029 2.486 . . . . 0.0 112.015 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.1 p -96.68 -163.82 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.616 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.454 ' O ' ' C7 ' ' A' ' 10' ' ' A2G . 0.6 OUTLIER -100.56 -166.73 1.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.607 -179.711 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.454 HG23 ' H ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -82.83 172.3 9.79 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.546 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.51 171.27 18.56 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.99 2.46 . . . . 0.0 111.982 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.474 HD12 ' N ' ' A' ' 7' ' ' LEU . 10.9 mp -74.08 167.96 20.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.566 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.4 ' CD ' ' N ' ' A' ' 9' ' ' NH2 . 0.6 OUTLIER -83.53 138.09 33.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.591 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . 0.4 ' N ' ' CD ' ' A' ' 8' ' ' LYS . . . . . . . . 0 C--N 1.305 -1.331 0 O-C-N 120.107 -1.62 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.454 ' C7 ' ' O ' ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.64 123.39 4.68 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 123.062 2.508 . . . . 0.0 111.994 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 58.7 p -96.55 158.34 15.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.577 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.402 HG21 ' H5 ' ' A' ' 11' ' ' A2G . 35.3 p -103.73 167.49 9.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.57 179.927 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.14 154.8 69.87 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.563 -179.795 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.71 145.1 2.96 Favored 'Trans proline' 0 C--N 1.306 -1.689 0 C-N-CA 122.968 2.445 . . . . 0.0 111.988 -179.498 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.89 ' H ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -73.76 177.66 5.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.595 -179.981 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.413 ' HG3' ' H ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -83.72 -173.59 4.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.577 -179.986 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.364 0 O-C-N 120.18 -1.575 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 11' ' ' A2G . . . . . 0.402 ' H5 ' HG21 ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.47 119.19 5.42 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 123.002 2.468 . . . . 0.0 112.01 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.5 p -143.25 -176.18 4.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.551 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.451 HG21 ' H5 ' ' A' ' 11' ' ' A2G . 72.2 p -137.0 154.69 50.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.583 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -82.53 153.94 68.41 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.512 -179.836 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.62 101.86 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.988 2.459 . . . . 0.0 112.053 -179.535 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.0 tp -74.05 141.27 45.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.549 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -156.53 97.82 1.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.599 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 120.122 -1.611 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 11' ' ' A2G . . . . . 0.451 ' H5 ' HG21 ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.125 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.58 145.31 2.73 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 123.027 2.485 . . . . 0.0 111.982 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 64.7 p -96.35 160.72 14.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.569 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.428 HG21 ' H5 ' ' A' ' 11' ' ' A2G . 38.6 p -103.53 163.04 12.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.586 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.25 159.26 65.32 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.531 -179.751 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.59 99.59 0.03 OUTLIER 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.99 2.46 . . . . 0.0 112.052 -179.711 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -165.96 102.22 0.66 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.621 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.5 pptp? -83.52 165.07 19.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.497 -179.917 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.318 0 O-C-N 120.085 -1.634 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 11' ' ' A2G . . . . . 0.428 ' H5 ' HG21 ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.156 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.55 120.58 2.79 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 123.054 2.503 . . . . 0.0 112.056 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 80.9 p -96.12 179.96 4.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.53 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.8 p -136.74 139.65 42.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.538 -179.846 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.46 ' O ' HG22 ' A' ' 5' ' ' THR . 98.2 m -157.32 72.93 4.45 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.526 -179.776 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.53 11.4 1.6 Allowed 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 123.015 2.476 . . . . 0.0 111.977 179.276 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.96 146.13 44.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.57 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.0 ptpt -156.49 26.7 0.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.491 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.377 0 O-C-N 120.105 -1.622 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.51 128.72 8.47 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 123.046 2.497 . . . . 0.0 111.963 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 59.3 p -96.52 176.84 5.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.503 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.76 169.37 17.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.506 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.6 p -82.61 115.97 61.25 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.573 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.51 -178.71 4.46 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 123.019 2.479 . . . . 0.0 112.032 179.515 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 tp -166.0 48.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.581 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -156.04 106.06 2.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.57 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 120.127 -1.608 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.072 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.63 165.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 123.005 2.47 . . . . 0.0 112.013 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 79.1 p -142.95 -177.3 5.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.588 -179.873 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.94 157.01 47.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.518 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.66 159.63 63.31 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.527 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.73 103.02 0.04 OUTLIER 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 123.006 2.471 . . . . 0.0 111.985 -179.854 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.45 ' CG ' ' H ' ' A' ' 8' ' ' LYS . 2.2 tp -74.05 -146.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.545 -179.956 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.45 ' H ' ' CG ' ' A' ' 7' ' ' LEU . 9.5 tptm -156.47 109.77 2.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.565 179.966 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.298 0 O-C-N 120.109 -1.619 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.57 173.87 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.925 2.417 . . . . 0.0 112.05 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.3 p -143.85 -165.04 2.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.634 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.491 ' O ' ' C7 ' ' A' ' 10' ' ' A2G . 0.1 OUTLIER -101.54 -166.12 1.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.589 -179.783 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.501 ' O ' ' O ' ' A' ' 6' ' ' PRO . 0.6 OUTLIER -82.82 159.38 63.43 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.526 -179.881 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.501 ' O ' ' O ' ' A' ' 5' ' ' THR . 2.9 Cg_endo -44.7 -178.31 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.799 0 C-N-CA 123.014 2.476 . . . . 0.0 111.915 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.684 HD13 ' O7 ' ' A' ' 11' ' ' A2G . 0.9 OUTLIER -165.53 -178.56 4.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.615 -179.986 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -83.45 -58.92 2.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.524 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 120.142 -1.599 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.491 ' C7 ' ' O ' ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' A2G . . . . . 0.684 ' O7 ' HD13 ' A' ' 7' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.085 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.73 148.91 1.25 Allowed 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 122.99 2.46 . . . . 0.0 112.001 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 76.0 p -96.7 -172.21 2.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.55 -179.955 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 60.3 p -136.66 162.33 33.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.553 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.414 ' H ' HG23 ' A' ' 5' ' ' THR . 0.0 OUTLIER -82.02 171.94 10.79 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.548 -179.855 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.46 116.97 4.65 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 123.043 2.495 . . . . 0.0 112.02 179.605 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.726 ' C ' HD12 ' A' ' 7' ' ' LEU . 4.3 pp -73.92 176.97 5.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.542 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.9 pttm -156.49 20.92 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.547 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.351 0 O-C-N 120.197 -1.564 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.057 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.44 100.84 1.41 Allowed 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 123.051 2.501 . . . . 0.0 111.977 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 74.7 p -143.16 -175.78 4.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.577 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.95 156.64 48.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.589 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.71 155.2 68.4 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.615 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.62 104.01 0.05 OUTLIER 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 123.078 2.519 . . . . 0.0 111.945 -179.705 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 mt -74.02 116.3 14.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.55 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.0 pttp -156.46 145.4 20.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.577 179.96 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.346 0 O-C-N 120.235 -1.541 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.58 119.95 2.49 Favored 'Trans proline' 0 C--N 1.304 -1.793 0 C-N-CA 123.067 2.511 . . . . 0.0 111.963 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.93 -107.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.516 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.599 ' O ' ' C7 ' ' A' ' 10' ' ' A2G . 0.0 OUTLIER -139.42 -170.05 2.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.553 -179.961 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.79 159.49 63.27 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.553 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.53 156.72 0.21 Allowed 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 123.038 2.492 . . . . 0.0 112.036 -179.845 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 mp -73.91 148.58 42.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.541 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.0 mmtp -83.51 3.1 33.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.542 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.326 0 O-C-N 120.082 -1.636 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.599 ' C7 ' ' O ' ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.412 ' O ' HG23 ' A' ' 3' ' ' THR . . . . . . . . 0 C--O 1.231 0.128 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.53 109.28 0.16 Allowed 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 123.064 2.509 . . . . 0.0 111.994 . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 1' ' ' ACE . 81.7 p -96.64 -174.44 3.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.653 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 32.7 p -136.76 169.29 17.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.555 179.925 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.415 HG23 ' H ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -82.16 172.26 10.02 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.489 -179.766 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.52 111.64 3.35 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 123.001 2.467 . . . . 0.0 112.007 179.635 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.7 mt -73.95 158.9 33.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.591 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -156.05 -63.43 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.576 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 120.228 -1.545 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 11' ' ' A2G . . . . . 0.579 ' HO4' ' H15' ' A' ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.52 144.69 28.89 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 123.015 2.476 . . . . 0.0 111.979 . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 67.1 p -96.62 -178.92 4.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.607 179.962 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.61 166.81 22.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.568 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -82.46 154.03 68.62 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.545 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.59 157.62 0.18 Allowed 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 123.076 2.517 . . . . 0.0 111.985 -179.613 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -165.89 25.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.577 179.945 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -156.49 -173.66 4.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.62 179.996 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.391 0 O-C-N 120.141 -1.599 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.071 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.58 119.5 2.27 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 123.05 2.5 . . . . 0.0 112.013 . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 72.7 p -96.43 177.44 5.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.594 -179.933 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.437 HG21 ' H5 ' ' A' ' 11' ' ' A2G . 74.2 p -136.87 156.74 48.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.548 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.27 154.86 69.55 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.585 -179.822 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.6 133.98 9.89 Favored 'Trans proline' 0 C--N 1.304 -1.812 0 C-N-CA 123.023 2.482 . . . . 0.0 111.964 -179.622 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.9 mt -73.97 114.06 11.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.529 179.976 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.529 ' H ' ' CD ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -83.45 4.41 27.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.577 179.968 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.321 0 O-C-N 120.137 -1.602 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 11' ' ' A2G . . . . . 0.437 ' H5 ' HG21 ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.54 144.42 28.52 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 123.1 2.533 . . . . 0.0 111.902 . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 77.3 p -96.69 -173.16 2.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.569 179.959 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -136.59 168.22 19.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.548 179.955 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.431 ' H ' HG23 ' A' ' 5' ' ' THR . 0.0 OUTLIER -82.37 172.41 9.63 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.508 -179.947 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.47 114.13 3.91 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 123.066 2.511 . . . . 0.0 111.989 179.545 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.612 HD12 ' N ' ' A' ' 7' ' ' LEU . 9.5 mp -73.98 63.02 0.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.606 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.7 ptmt -156.48 -12.54 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.57 -179.945 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 120.163 -1.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.032 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -45.63 176.47 0.01 OUTLIER 'Trans proline' 0 C--N 1.303 -1.839 0 C-N-CA 122.929 2.419 . . . . 0.0 112.207 . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 82.3 p -143.52 -177.8 5.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.522 179.879 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -137.03 157.99 45.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.693 179.709 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.79 155.4 68.11 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.66 179.875 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.65 118.2 1.74 Allowed 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 123.05 2.5 . . . . 0.0 111.942 -179.749 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 mp -74.0 93.45 2.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.536 179.993 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.0 tttt -83.53 154.68 23.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.57 179.975 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 120.138 -1.601 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.462 ' O ' ' N ' ' A' ' 3' ' ' THR . . . . . . . . 0 C--O 1.232 0.154 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.66 87.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 123.028 2.485 . . . . 0.0 112.013 . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 1' ' ' ACE . 74.2 p -143.96 169.02 18.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.521 179.937 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.2 159.84 15.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.568 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.47 159.64 63.8 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.564 -179.938 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.56 100.03 0.04 OUTLIER 'Trans proline' 0 C--N 1.304 -1.784 0 C-N-CA 122.988 2.459 . . . . 0.0 111.964 -179.73 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.531 HD23 ' N ' ' A' ' 8' ' ' LYS . 1.2 tt -165.97 113.96 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.61 -179.977 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.531 ' N ' HD23 ' A' ' 7' ' ' LEU . 2.2 ttmp? -83.59 122.92 29.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.556 179.999 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.38 0 O-C-N 120.151 -1.593 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.488 1.149 0 CA-C-O 120.775 0.24 . . . . 0.0 112.016 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 76.9 p -143.21 -177.05 5.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.59 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 65.0 p -137.04 153.84 50.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.566 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.4 159.35 64.67 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.532 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.305 -1.73 0 C-N-CA 123.033 2.488 . . . . 0.0 112.012 -179.747 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.487 1.107 0 CA-C-O 120.816 0.257 . . . . 0.0 112.01 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 55.3 p -142.8 156.73 45.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.552 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.3 p -103.38 172.12 6.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.57 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.28 172.15 10.25 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.601 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 C--N 1.305 -1.745 0 C-N-CA 123.033 2.489 . . . . 0.0 112.018 179.554 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.488 1.16 0 CA-C-O 120.814 0.256 . . . . 0.0 111.95 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 81.5 p -143.14 -176.72 5.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.56 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 72.5 p -137.06 154.11 50.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.521 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.45 154.91 69.09 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.586 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.305 -1.745 0 C-N-CA 123.041 2.494 . . . . 0.0 112.06 -179.666 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.487 1.143 0 CA-C-O 120.813 0.256 . . . . 0.0 111.978 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 66.8 p -143.24 172.17 13.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.515 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 67.6 p -136.94 139.61 41.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.536 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.726 HG23 ' O ' ' A' ' 5' ' ' THR . 8.7 t -157.49 73.18 4.34 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.564 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 C--N 1.305 -1.725 0 C-N-CA 123.0 2.467 . . . . 0.0 111.984 179.451 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.488 1.152 0 CA-C-O 120.822 0.259 . . . . 0.0 111.943 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 80.3 p -143.02 -177.3 5.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.596 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 79.9 p -136.98 158.85 43.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.558 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -82.43 153.74 68.58 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.567 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.305 -1.728 0 C-N-CA 123.007 2.471 . . . . 0.0 112.037 -179.544 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.488 1.17 0 CA-C-O 120.75 0.229 . . . . 0.0 111.988 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 65.2 p -96.22 176.04 6.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.476 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 82.3 p -137.08 155.85 49.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.634 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.48 159.23 64.73 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.564 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.305 -1.741 0 C-N-CA 123.011 2.474 . . . . 0.0 112.002 -179.728 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.488 1.175 0 CA-C-O 120.746 0.228 . . . . 0.0 112.045 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 64.3 p -96.31 175.52 6.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.525 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.97 158.6 44.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.492 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.66 159.52 63.55 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.609 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 C--N 1.304 -1.793 0 C-N-CA 123.043 2.495 . . . . 0.0 112.037 -179.81 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.488 1.176 0 CA-C-O 120.788 0.245 . . . . 0.0 112.03 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.8 p -142.9 -178.96 6.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.566 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 51.9 p -137.08 163.89 29.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.556 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.34 171.87 10.87 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.586 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 C--N 1.305 -1.743 0 C-N-CA 122.994 2.463 . . . . 0.0 111.996 179.579 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.487 1.116 0 CA-C-O 120.792 0.246 . . . . 0.0 112.02 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 55.4 p -96.1 150.54 20.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.553 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.0 165.05 11.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.543 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.68 155.16 68.49 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.583 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.305 -1.759 0 C-N-CA 122.976 2.451 . . . . 0.0 112.0 -179.756 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.487 1.138 0 CA-C-O 120.783 0.243 . . . . 0.0 112.004 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 71.3 p -143.2 -176.38 4.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.619 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.3 p -137.05 151.84 49.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.556 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.45 159.34 64.55 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.58 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 C--N 1.305 -1.746 0 C-N-CA 123.051 2.501 . . . . 0.0 111.978 -179.694 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.487 1.119 0 CA-C-O 120.874 0.281 . . . . 0.0 112.045 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 73.5 p -143.95 168.75 19.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.602 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.01 161.79 13.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.544 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.48 155.12 69.01 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.585 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 C--N 1.305 -1.732 0 C-N-CA 122.95 2.433 . . . . 0.0 112.033 -179.698 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 N--CA 1.487 1.14 0 CA-C-O 120.813 0.255 . . . . 0.0 112.006 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.3 p -96.13 159.53 14.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.596 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.7 p -103.41 164.82 11.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.595 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.38 154.59 69.12 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.557 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.305 -1.739 0 C-N-CA 123.048 2.498 . . . . 0.0 111.935 -179.616 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.488 1.18 0 CA-C-O 120.798 0.249 . . . . 0.0 111.999 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 70.4 p -96.67 -179.15 4.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.559 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -136.64 171.09 15.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.572 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.23 116.08 61.48 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.616 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 C--N 1.305 -1.741 0 C-N-CA 123.091 2.527 . . . . 0.0 111.997 179.478 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.489 1.208 0 CA-C-O 120.842 0.268 . . . . 0.0 111.96 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.9 p -143.86 -167.06 2.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.594 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.3 p -105.03 -130.43 0.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.571 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -155.54 154.01 27.45 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.58 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.304 -1.764 0 C-N-CA 123.051 2.5 . . . . 0.0 111.976 -179.369 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.487 1.093 0 CA-C-O 120.713 0.214 . . . . 0.0 112.006 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.1 p -143.24 -176.0 4.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.626 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.1 p -137.07 152.7 50.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.519 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.42 159.41 64.49 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.516 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.306 -1.689 0 C-N-CA 123.069 2.512 . . . . 0.0 111.955 -179.686 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.487 1.137 0 CA-C-O 120.777 0.241 . . . . 0.0 112.042 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.6 p -96.84 -176.45 3.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.563 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 29.6 p -136.57 175.34 9.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.555 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.4 m -81.87 131.7 56.44 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.59 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 C--N 1.304 -1.771 0 C-N-CA 123.065 2.51 . . . . 0.0 111.962 -179.54 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.489 1.25 0 CA-C-O 120.803 0.251 . . . . 0.0 112.058 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 58.5 p -143.92 -166.14 2.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.59 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 53.1 p -136.97 165.22 26.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.55 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.42 165.87 39.82 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.551 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 C--N 1.305 -1.718 0 C-N-CA 123.031 2.488 . . . . 0.0 111.989 179.711 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.487 1.118 0 CA-C-O 120.848 0.27 . . . . 0.0 111.961 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 70.7 p -96.11 162.3 13.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.523 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 47.7 p -103.3 161.18 14.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.576 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.48 158.98 65.28 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.506 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 C--N 1.304 -1.768 0 C-N-CA 123.074 2.516 . . . . 0.0 111.952 -179.716 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.488 1.158 0 CA-C-O 120.759 0.233 . . . . 0.0 111.936 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 78.3 p -143.06 164.05 31.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.544 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.01 162.38 12.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.564 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.71 159.61 63.23 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.504 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.306 -1.704 0 C-N-CA 122.994 2.463 . . . . 0.0 112.035 -179.811 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.488 1.165 0 CA-C-O 120.825 0.261 . . . . 0.0 112.015 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.1 p -96.68 -163.82 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.616 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -100.56 -166.73 1.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.607 -179.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.454 HG23 ' H ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -82.83 172.3 9.79 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.546 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 C--N 1.305 -1.714 0 C-N-CA 122.99 2.46 . . . . 0.0 111.982 179.488 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.487 1.124 0 CA-C-O 120.821 0.259 . . . . 0.0 111.994 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 58.7 p -96.55 158.34 15.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.577 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 35.3 p -103.73 167.49 9.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.57 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.14 154.8 69.87 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.563 -179.795 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 C--N 1.306 -1.689 0 C-N-CA 122.968 2.445 . . . . 0.0 111.988 -179.498 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 N--CA 1.487 1.111 0 CA-C-O 120.851 0.271 . . . . 0.0 112.01 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.5 p -143.25 -176.18 4.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.551 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 72.2 p -137.0 154.69 50.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.583 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -82.53 153.94 68.41 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.512 -179.836 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.306 -1.699 0 C-N-CA 122.988 2.459 . . . . 0.0 112.053 -179.535 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.487 1.143 0 CA-C-O 120.866 0.278 . . . . 0.0 111.982 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 64.7 p -96.35 160.72 14.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.569 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 38.6 p -103.53 163.04 12.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.586 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.25 159.26 65.32 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.531 -179.751 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.304 -1.774 0 C-N-CA 122.99 2.46 . . . . 0.0 112.052 -179.711 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.487 1.143 0 CA-C-O 120.763 0.235 . . . . 0.0 112.056 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 80.9 p -96.12 179.96 4.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.53 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.8 p -136.74 139.65 42.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.538 -179.846 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.46 HG22 ' O ' ' A' ' 5' ' ' THR . 98.2 m -157.32 72.93 4.45 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.526 -179.776 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 C--N 1.304 -1.765 0 C-N-CA 123.015 2.476 . . . . 0.0 111.977 179.276 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.488 1.15 0 CA-C-O 120.769 0.237 . . . . 0.0 111.963 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 59.3 p -96.52 176.84 5.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.503 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.76 169.37 17.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.506 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.6 p -82.61 115.97 61.25 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.573 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 C--N 1.305 -1.726 0 C-N-CA 123.019 2.479 . . . . 0.0 112.032 179.515 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.487 1.143 0 CA-C-O 120.797 0.249 . . . . 0.0 112.013 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 79.1 p -142.95 -177.3 5.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.588 -179.873 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.94 157.01 47.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.518 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.66 159.63 63.31 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.527 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 C--N 1.304 -1.779 0 C-N-CA 123.006 2.471 . . . . 0.0 111.985 -179.854 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.489 1.218 0 CA-C-O 120.738 0.224 . . . . 0.0 112.05 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.3 p -143.85 -165.04 2.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.634 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.54 -166.12 1.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.589 -179.783 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.501 ' O ' ' O ' ' A' ' 6' ' ' PRO . 0.6 OUTLIER -82.82 159.38 63.43 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.526 -179.881 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.501 ' O ' ' O ' ' A' ' 5' ' ' THR . 2.9 Cg_endo . . . . . 0 C--N 1.304 -1.799 0 C-N-CA 123.014 2.476 . . . . 0.0 111.915 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.487 1.127 0 CA-C-O 120.769 0.237 . . . . 0.0 112.001 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 76.0 p -96.7 -172.21 2.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.55 -179.955 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 60.3 p -136.66 162.33 33.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.553 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.414 ' H ' HG23 ' A' ' 5' ' ' THR . 0.0 OUTLIER -82.02 171.94 10.79 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.548 -179.855 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 C--N 1.305 -1.752 0 C-N-CA 123.043 2.495 . . . . 0.0 112.02 179.605 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 N--CA 1.489 1.206 0 CA-C-O 120.758 0.232 . . . . 0.0 111.977 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 74.7 p -143.16 -175.78 4.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.577 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.95 156.64 48.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.589 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.71 155.2 68.4 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.615 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 C--N 1.304 -1.795 0 C-N-CA 123.078 2.519 . . . . 0.0 111.945 -179.705 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.488 1.153 0 CA-C-O 120.844 0.268 . . . . 0.0 111.963 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.93 -107.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.516 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.42 -170.05 2.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.553 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.79 159.49 63.27 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.553 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.305 -1.717 0 C-N-CA 123.038 2.492 . . . . 0.0 112.036 -179.845 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.487 1.108 0 CA-C-O 120.796 0.248 . . . . 0.0 111.994 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 81.7 p -96.64 -174.44 3.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.653 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 32.7 p -136.76 169.29 17.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.555 179.925 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.415 HG23 ' H ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -82.16 172.26 10.02 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.489 -179.766 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 C--N 1.306 -1.698 0 C-N-CA 123.001 2.467 . . . . 0.0 112.007 179.635 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.487 1.124 0 CA-C-O 120.745 0.227 . . . . 0.0 111.979 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 67.1 p -96.62 -178.92 4.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.607 179.962 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.61 166.81 22.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.568 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -82.46 154.03 68.62 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.545 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.304 -1.772 0 C-N-CA 123.076 2.517 . . . . 0.0 111.985 -179.613 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.487 1.117 0 CA-C-O 120.84 0.267 . . . . 0.0 112.013 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 72.7 p -96.43 177.44 5.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.594 -179.933 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 74.2 p -136.87 156.74 48.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.548 179.994 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.27 154.86 69.55 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.585 -179.822 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 C--N 1.304 -1.812 0 C-N-CA 123.023 2.482 . . . . 0.0 111.964 -179.622 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.488 1.152 0 CA-C-O 120.835 0.265 . . . . 0.0 111.902 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 77.3 p -96.69 -173.16 2.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.569 179.959 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -136.59 168.22 19.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.548 179.955 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.431 ' H ' HG23 ' A' ' 5' ' ' THR . 0.0 OUTLIER -82.37 172.41 9.63 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.508 -179.947 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 C--N 1.306 -1.686 0 C-N-CA 123.066 2.511 . . . . 0.0 111.989 179.545 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo . . . . . 0 N--CA 1.489 1.206 0 CA-C-O 120.926 0.303 . . . . 0.0 112.207 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 82.3 p -143.52 -177.8 5.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.522 179.879 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -137.03 157.99 45.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.693 179.709 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.79 155.4 68.11 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.66 179.875 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 C--N 1.305 -1.756 0 C-N-CA 123.05 2.5 . . . . 0.0 111.942 -179.749 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.487 1.131 0 CA-C-O 120.805 0.252 . . . . 0.0 112.013 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 74.2 p -143.96 169.02 18.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.521 179.937 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.2 159.84 15.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.568 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.47 159.64 63.8 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.564 -179.938 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.304 -1.784 0 C-N-CA 122.988 2.459 . . . . 0.0 111.964 -179.73 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.061 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.64 165.85 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.985 2.457 . . . . 0.0 112.016 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 76.9 p -143.21 -177.05 5.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.59 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.435 HG21 ' H5 ' ' A' ' 11' ' ' A2G . 65.0 p -137.04 153.84 50.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.566 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.4 159.35 64.67 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.532 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.6 99.78 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 123.033 2.488 . . . . 0.0 112.012 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 tp -74.03 115.14 13.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.567 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -156.49 -47.15 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.541 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.327 0 O-C-N 120.125 -1.61 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . 0.435 ' H5 ' HG21 ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.58 164.41 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 123.043 2.496 . . . . 0.0 112.01 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 55.3 p -142.8 156.73 45.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.552 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.3 p -103.38 172.12 6.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.57 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.28 172.15 10.25 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.601 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.52 114.57 4.0 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 123.033 2.489 . . . . 0.0 112.018 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.557 HD22 ' N ' ' A' ' 7' ' ' LEU . 3.9 mm? -73.99 67.13 1.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.632 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -156.48 -160.14 0.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.603 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.399 0 O-C-N 120.137 -1.602 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.58 154.35 0.33 Allowed 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 123.046 2.498 . . . . 0.0 111.95 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 81.5 p -143.14 -176.72 5.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.56 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.452 HG21 ' H5 ' ' A' ' 11' ' ' A2G . 72.5 p -137.06 154.11 50.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.521 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.45 154.91 69.09 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.586 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.54 102.95 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 123.041 2.494 . . . . 0.0 112.06 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.46 HD22 ' O6 ' ' A' ' 11' ' ' A2G . 1.1 tp -74.03 132.19 42.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.554 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.533 ' CD ' ' H ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -83.51 173.23 11.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.58 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.385 0 O-C-N 120.23 -1.544 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . 0.46 ' O6 ' HD22 ' A' ' 7' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.05 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.6 149.29 1.09 Allowed 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 123.045 2.497 . . . . 0.0 111.978 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 66.8 p -143.24 172.17 13.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.515 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 67.6 p -136.94 139.61 41.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.536 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.726 HG23 ' O ' ' A' ' 5' ' ' THR . 8.7 t -157.49 73.18 4.34 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.564 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.52 14.29 1.0 Allowed 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 123.0 2.467 . . . . 0.0 111.984 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.556 HD22 ' N ' ' A' ' 7' ' ' LEU . 3.9 mm? -74.0 177.49 5.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.593 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.407 ' H ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -83.63 -82.36 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.531 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 120.214 -1.554 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.417 ' O ' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.232 0.172 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.417 ' O ' ' O ' ' A' ' 1' ' ' ACE . 2.8 Cg_endo -44.61 175.31 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 123.095 2.53 . . . . 0.0 111.943 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 80.3 p -143.02 -177.3 5.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.596 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.44 HG21 ' H5 ' ' A' ' 11' ' ' A2G . 79.9 p -136.98 158.85 43.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.558 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -82.43 153.74 68.58 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.567 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.62 130.1 9.36 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 123.007 2.471 . . . . 0.0 112.037 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.572 HD11 ' O4 ' ' A' ' 11' ' ' A2G . 40.8 mt -74.03 110.14 8.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.527 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.48 -81.38 0.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.596 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.341 0 O-C-N 120.155 -1.591 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . 0.572 ' O4 ' HD11 ' A' ' 7' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.065 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.48 125.63 6.21 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 123.026 2.484 . . . . 0.0 111.988 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 65.2 p -96.22 176.04 6.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.476 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.419 HG21 ' H5 ' ' A' ' 11' ' ' A2G . 82.3 p -137.08 155.85 49.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.634 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.48 159.23 64.73 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.564 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.53 99.86 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.011 2.474 . . . . 0.0 112.002 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.457 ' CG ' ' H ' ' A' ' 8' ' ' LYS . 2.1 tp -165.94 -146.64 0.08 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.582 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.457 ' H ' ' CG ' ' A' ' 7' ' ' LEU . 19.1 pttt -156.5 -124.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.551 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.343 0 O-C-N 120.111 -1.618 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . 0.419 ' H5 ' HG21 ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.64 119.18 2.14 Favored 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 122.943 2.429 . . . . 0.0 112.045 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 64.3 p -96.31 175.52 6.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.525 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.97 158.6 44.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.492 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.66 159.52 63.55 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.609 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.54 106.96 0.09 OUTLIER 'Trans proline' 0 C--N 1.304 -1.793 0 C-N-CA 123.043 2.495 . . . . 0.0 112.037 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.0 mt -73.94 -167.34 0.48 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.549 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 ptpt -156.51 42.13 0.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.59 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 120.128 -1.608 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.061 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.61 168.24 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.967 2.445 . . . . 0.0 112.03 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.8 p -142.9 -178.96 6.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.566 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 51.9 p -137.08 163.89 29.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.556 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.34 171.87 10.87 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.586 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.43 115.38 4.21 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.994 2.463 . . . . 0.0 111.996 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.7 tp -166.04 87.09 0.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.517 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 tmtm? -156.55 -62.57 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.529 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 120.079 -1.638 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.085 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.65 136.98 8.98 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 123.004 2.47 . . . . 0.0 112.02 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 55.4 p -96.1 150.54 20.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.553 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.0 165.05 11.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.543 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.68 155.16 68.49 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.583 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.499 ' C ' ' H ' ' A' ' 8' ' ' LYS . 2.8 Cg_endo -44.6 133.47 9.97 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.976 2.451 . . . . 0.0 112.0 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.565 HD22 ' N ' ' A' ' 7' ' ' LEU . 3.9 mm? -74.05 24.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.635 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.499 ' H ' ' C ' ' A' ' 6' ' ' PRO . 12.0 ptpt -156.48 -158.12 0.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.584 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 120.108 -1.62 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.154 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.65 156.36 0.23 Allowed 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 123.029 2.486 . . . . 0.0 112.004 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 71.3 p -143.2 -176.38 4.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.619 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.44 HG21 ' H5 ' ' A' ' 11' ' ' A2G . 71.3 p -137.05 151.84 49.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.556 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.45 159.34 64.55 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.58 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.54 99.73 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 123.051 2.501 . . . . 0.0 111.978 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 mt -165.97 99.55 0.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.53 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.5 tmtp? -156.46 35.27 0.32 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.6 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 120.158 -1.588 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . 0.44 ' H5 ' HG21 ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.461 ' O ' ' N ' ' A' ' 3' ' ' THR . . . . . . . . 0 C--O 1.231 0.114 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.59 87.17 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 123.03 2.487 . . . . 0.0 112.045 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 1' ' ' ACE . 73.5 p -143.95 168.75 19.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.602 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.01 161.79 13.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.544 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.48 155.12 69.01 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.585 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.63 103.01 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.95 2.433 . . . . 0.0 112.033 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.47 ' HA ' HD22 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -165.94 100.53 0.66 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.574 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -83.49 82.37 8.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.615 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 120.158 -1.589 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.044 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.53 104.61 1.93 Allowed 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.992 2.461 . . . . 0.0 112.006 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.3 p -96.13 159.53 14.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.596 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.438 HG21 ' H5 ' ' A' ' 11' ' ' A2G . 40.7 p -103.41 164.82 11.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.595 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.38 154.59 69.12 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.557 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.57 103.89 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 123.048 2.498 . . . . 0.0 111.935 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 tp -165.97 -150.25 0.12 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.53 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.419 ' O ' ' O6 ' ' A' ' 11' ' ' A2G . 25.0 mtpt -155.97 -104.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.612 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 120.175 -1.578 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . 0.438 ' H5 ' HG21 ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.57 142.84 4.41 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 123.013 2.475 . . . . 0.0 111.999 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 70.4 p -96.67 -179.15 4.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.559 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -136.64 171.09 15.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.572 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.23 116.08 61.48 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.616 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.43 -175.92 2.68 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.091 2.527 . . . . 0.0 111.997 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.5 mt -74.04 88.43 1.9 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.482 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.55 -0.66 51.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.522 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.392 0 O-C-N 120.169 -1.582 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.076 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.71 102.21 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 123.008 2.472 . . . . 0.0 111.96 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.9 p -143.86 -167.06 2.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.594 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.637 ' O ' ' C7 ' ' A' ' 10' ' ' A2G . 18.3 p -105.03 -130.43 0.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.571 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -155.54 154.01 27.45 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.58 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.64 96.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 123.051 2.5 . . . . 0.0 111.976 -179.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 mt -166.01 113.49 0.91 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.515 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.2 tptp -83.45 126.22 32.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.565 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 120.136 -1.603 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.637 ' C7 ' ' O ' ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.124 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.57 150.84 0.69 Allowed 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 123.046 2.497 . . . . 0.0 112.006 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.1 p -143.24 -176.0 4.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.626 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.438 HG21 ' H5 ' ' A' ' 11' ' ' A2G . 64.1 p -137.07 152.7 50.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.519 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.42 159.41 64.49 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.516 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.62 99.71 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.689 0 C-N-CA 123.069 2.512 . . . . 0.0 111.955 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -165.86 -172.52 2.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.587 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.7 pttp -83.52 -34.01 25.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.633 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . 0.557 ' N ' ' H15' ' A' ' 11' ' ' A2G . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 120.112 -1.618 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . 0.557 ' H15' ' N ' ' A' ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.62 139.78 6.94 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 122.995 2.464 . . . . 0.0 112.042 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.6 p -96.84 -176.45 3.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.563 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.501 HG21 ' H5 ' ' A' ' 11' ' ' A2G . 29.6 p -136.57 175.34 9.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.555 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.4 m -81.87 131.7 56.44 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.59 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.66 124.43 5.48 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 123.065 2.51 . . . . 0.0 111.962 -179.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.5 tp -74.07 44.8 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.445 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.5 -72.84 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.629 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.351 0 O-C-N 120.19 -1.569 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . 0.501 ' H5 ' HG21 ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.422 ' O ' ' N ' ' A' ' 3' ' ' THR . . . . . . . . 0 C--O 1.231 0.113 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.66 89.73 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 123.016 2.477 . . . . 0.0 112.058 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 1' ' ' ACE . 58.5 p -143.92 -166.14 2.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.59 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 53.1 p -136.97 165.22 26.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.55 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.42 165.87 39.82 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.551 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.53 124.91 8.62 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 123.031 2.488 . . . . 0.0 111.989 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.466 ' HA ' HD22 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -165.95 103.69 0.67 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.555 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.4 ' N ' HD13 ' A' ' 7' ' ' LEU . 7.8 ptmt -83.45 169.66 15.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.532 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 120.164 -1.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.54 128.47 11.09 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.988 2.459 . . . . 0.0 111.961 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 70.7 p -96.11 162.3 13.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.523 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.416 HG21 ' H5 ' ' A' ' 11' ' ' A2G . 47.7 p -103.3 161.18 14.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.576 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.48 158.98 65.28 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.506 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.59 125.81 6.5 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 123.074 2.516 . . . . 0.0 111.952 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.11 141.93 45.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.563 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -156.51 26.34 0.34 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.556 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.336 0 O-C-N 120.151 -1.593 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . 0.416 ' H5 ' HG21 ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.57 139.76 23.2 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 123.037 2.491 . . . . 0.0 111.936 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 78.3 p -143.06 164.05 31.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.544 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.01 162.38 12.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.564 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.71 159.61 63.23 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.504 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.51 101.68 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.994 2.463 . . . . 0.0 112.035 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.05 137.29 43.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.595 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.2 tttp -83.43 -58.5 2.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.54 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.329 0 O-C-N 120.168 -1.583 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.61 109.7 0.18 Allowed 'Trans proline' 0 C--N 1.304 -1.787 0 C-N-CA 123.029 2.486 . . . . 0.0 112.015 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.1 p -96.68 -163.82 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.616 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.454 ' O ' ' C7 ' ' A' ' 10' ' ' A2G . 0.6 OUTLIER -100.56 -166.73 1.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.607 -179.711 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.454 HG23 ' H ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -82.83 172.3 9.79 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.546 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.51 171.27 18.56 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.99 2.46 . . . . 0.0 111.982 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.474 ' N ' HD12 ' A' ' 7' ' ' LEU . 10.9 mp -74.08 167.96 20.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.566 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.4 ' CD ' ' N ' ' A' ' 9' ' ' NH2 . 0.6 OUTLIER -83.53 138.09 33.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.591 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . 0.4 ' N ' ' CD ' ' A' ' 8' ' ' LYS . . . . . . . . 0 C--N 1.305 -1.331 0 O-C-N 120.107 -1.62 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.454 ' C7 ' ' O ' ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.64 123.39 4.68 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 123.062 2.508 . . . . 0.0 111.994 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 58.7 p -96.55 158.34 15.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.577 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.402 HG21 ' H5 ' ' A' ' 11' ' ' A2G . 35.3 p -103.73 167.49 9.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.57 179.927 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.14 154.8 69.87 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.563 -179.795 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.71 145.1 2.96 Favored 'Trans proline' 0 C--N 1.306 -1.689 0 C-N-CA 122.968 2.445 . . . . 0.0 111.988 -179.498 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.89 ' H ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -73.76 177.66 5.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.595 -179.981 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.413 ' HG3' ' H ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -83.72 -173.59 4.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.577 -179.986 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.364 0 O-C-N 120.18 -1.575 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . 0.402 ' H5 ' HG21 ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.47 119.19 5.42 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 123.002 2.468 . . . . 0.0 112.01 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.5 p -143.25 -176.18 4.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.551 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.451 HG21 ' H5 ' ' A' ' 11' ' ' A2G . 72.2 p -137.0 154.69 50.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.583 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -82.53 153.94 68.41 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.512 -179.836 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.62 101.86 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.988 2.459 . . . . 0.0 112.053 -179.535 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.0 tp -74.05 141.27 45.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.549 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -156.53 97.82 1.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.599 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 120.122 -1.611 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . 0.451 ' H5 ' HG21 ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.125 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.58 145.31 2.73 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 123.027 2.485 . . . . 0.0 111.982 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 64.7 p -96.35 160.72 14.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.569 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.428 HG21 ' H5 ' ' A' ' 11' ' ' A2G . 38.6 p -103.53 163.04 12.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.586 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.25 159.26 65.32 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.531 -179.751 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.59 99.59 0.03 OUTLIER 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.99 2.46 . . . . 0.0 112.052 -179.711 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -165.96 102.22 0.66 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.621 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.5 pptp? -83.52 165.07 19.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.497 -179.917 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.318 0 O-C-N 120.085 -1.634 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . 0.428 ' H5 ' HG21 ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.156 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.55 120.58 2.79 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 123.054 2.503 . . . . 0.0 112.056 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 80.9 p -96.12 179.96 4.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.53 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.8 p -136.74 139.65 42.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.538 -179.846 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.46 HG22 ' O ' ' A' ' 5' ' ' THR . 98.2 m -157.32 72.93 4.45 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.526 -179.776 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.53 11.4 1.6 Allowed 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 123.015 2.476 . . . . 0.0 111.977 179.276 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.96 146.13 44.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.57 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.0 ptpt -156.49 26.7 0.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.491 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.377 0 O-C-N 120.105 -1.622 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.51 128.72 8.47 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 123.046 2.497 . . . . 0.0 111.963 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 59.3 p -96.52 176.84 5.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.503 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.76 169.37 17.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.506 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.6 p -82.61 115.97 61.25 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.573 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.51 -178.71 4.46 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 123.019 2.479 . . . . 0.0 112.032 179.515 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 tp -166.0 48.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.581 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -156.04 106.06 2.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.57 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 120.127 -1.608 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.072 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.63 165.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 123.005 2.47 . . . . 0.0 112.013 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 79.1 p -142.95 -177.3 5.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.588 -179.873 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.94 157.01 47.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.518 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.66 159.63 63.31 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.527 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.73 103.02 0.04 OUTLIER 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 123.006 2.471 . . . . 0.0 111.985 -179.854 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.45 ' CG ' ' H ' ' A' ' 8' ' ' LYS . 2.2 tp -74.05 -146.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.545 -179.956 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.45 ' H ' ' CG ' ' A' ' 7' ' ' LEU . 9.5 tptm -156.47 109.77 2.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.565 179.966 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.298 0 O-C-N 120.109 -1.619 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.57 173.87 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.925 2.417 . . . . 0.0 112.05 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.3 p -143.85 -165.04 2.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.634 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.491 ' O ' ' C7 ' ' A' ' 10' ' ' A2G . 0.1 OUTLIER -101.54 -166.12 1.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.589 -179.783 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.501 ' O ' ' O ' ' A' ' 6' ' ' PRO . 0.6 OUTLIER -82.82 159.38 63.43 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.526 -179.881 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.501 ' O ' ' O ' ' A' ' 5' ' ' THR . 2.9 Cg_endo -44.7 -178.31 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.799 0 C-N-CA 123.014 2.476 . . . . 0.0 111.915 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.684 HD13 ' O7 ' ' A' ' 11' ' ' A2G . 0.9 OUTLIER -165.53 -178.56 4.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.615 -179.986 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -83.45 -58.92 2.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.524 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 120.142 -1.599 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.491 ' C7 ' ' O ' ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . 0.684 ' O7 ' HD13 ' A' ' 7' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.085 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.73 148.91 1.25 Allowed 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 122.99 2.46 . . . . 0.0 112.001 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 76.0 p -96.7 -172.21 2.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.55 -179.955 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 60.3 p -136.66 162.33 33.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.553 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.414 ' H ' HG23 ' A' ' 5' ' ' THR . 0.0 OUTLIER -82.02 171.94 10.79 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.548 -179.855 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.46 116.97 4.65 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 123.043 2.495 . . . . 0.0 112.02 179.605 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.726 ' C ' HD12 ' A' ' 7' ' ' LEU . 4.3 pp -73.92 176.97 5.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.542 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.9 pttm -156.49 20.92 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.547 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.351 0 O-C-N 120.197 -1.564 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.057 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.44 100.84 1.41 Allowed 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 123.051 2.501 . . . . 0.0 111.977 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 74.7 p -143.16 -175.78 4.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.577 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.95 156.64 48.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.589 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.71 155.2 68.4 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.615 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.62 104.01 0.05 OUTLIER 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 123.078 2.519 . . . . 0.0 111.945 -179.705 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 mt -74.02 116.3 14.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.55 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.0 pttp -156.46 145.4 20.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.577 179.96 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.346 0 O-C-N 120.235 -1.541 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.58 119.95 2.49 Favored 'Trans proline' 0 C--N 1.304 -1.793 0 C-N-CA 123.067 2.511 . . . . 0.0 111.963 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.93 -107.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.516 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.599 ' O ' ' C7 ' ' A' ' 10' ' ' A2G . 0.0 OUTLIER -139.42 -170.05 2.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.553 -179.961 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.79 159.49 63.27 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.553 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.53 156.72 0.21 Allowed 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 123.038 2.492 . . . . 0.0 112.036 -179.845 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 mp -73.91 148.58 42.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.541 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.0 mmtp -83.51 3.1 33.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.542 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.326 0 O-C-N 120.082 -1.636 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.599 ' C7 ' ' O ' ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.412 ' O ' HG23 ' A' ' 3' ' ' THR . . . . . . . . 0 C--O 1.231 0.128 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.53 109.28 0.16 Allowed 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 123.064 2.509 . . . . 0.0 111.994 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 1' ' ' ACE . 81.7 p -96.64 -174.44 3.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.653 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 32.7 p -136.76 169.29 17.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.555 179.925 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.415 HG23 ' H ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -82.16 172.26 10.02 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.489 -179.766 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.52 111.64 3.35 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 123.001 2.467 . . . . 0.0 112.007 179.635 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.7 mt -73.95 158.9 33.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.591 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -156.05 -63.43 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.576 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 120.228 -1.545 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . 0.579 ' HO4' ' H15' ' A' ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.52 144.69 28.89 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 123.015 2.476 . . . . 0.0 111.979 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 67.1 p -96.62 -178.92 4.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.607 179.962 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.61 166.81 22.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.568 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -82.46 154.03 68.62 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.545 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.59 157.62 0.18 Allowed 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 123.076 2.517 . . . . 0.0 111.985 -179.613 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -165.89 25.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.577 179.945 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -156.49 -173.66 4.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.62 179.996 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.391 0 O-C-N 120.141 -1.599 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.071 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.58 119.5 2.27 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 123.05 2.5 . . . . 0.0 112.013 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 72.7 p -96.43 177.44 5.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.594 -179.933 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.437 HG21 ' H5 ' ' A' ' 11' ' ' A2G . 74.2 p -136.87 156.74 48.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.548 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.27 154.86 69.55 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.585 -179.822 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.6 133.98 9.89 Favored 'Trans proline' 0 C--N 1.304 -1.812 0 C-N-CA 123.023 2.482 . . . . 0.0 111.964 -179.622 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.9 mt -73.97 114.06 11.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.529 179.976 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.529 ' CD ' ' H ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -83.45 4.41 27.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.577 179.968 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.321 0 O-C-N 120.137 -1.602 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . 0.437 ' H5 ' HG21 ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.54 144.42 28.52 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 123.1 2.533 . . . . 0.0 111.902 . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 77.3 p -96.69 -173.16 2.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.569 179.959 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -136.59 168.22 19.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.548 179.955 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.431 ' H ' HG23 ' A' ' 5' ' ' THR . 0.0 OUTLIER -82.37 172.41 9.63 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.508 -179.947 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.47 114.13 3.91 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 123.066 2.511 . . . . 0.0 111.989 179.545 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.612 ' N ' HD12 ' A' ' 7' ' ' LEU . 9.5 mp -73.98 63.02 0.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.606 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.7 ptmt -156.48 -12.54 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.57 -179.945 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 120.163 -1.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.032 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -45.63 176.47 0.01 OUTLIER 'Trans proline' 0 C--N 1.303 -1.839 0 C-N-CA 122.929 2.419 . . . . 0.0 112.207 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 82.3 p -143.52 -177.8 5.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.522 179.879 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -137.03 157.99 45.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.693 179.709 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.79 155.4 68.11 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.66 179.875 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.65 118.2 1.74 Allowed 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 123.05 2.5 . . . . 0.0 111.942 -179.749 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 mp -74.0 93.45 2.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.536 179.993 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.0 tttt -83.53 154.68 23.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.57 179.975 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 120.138 -1.601 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.462 ' O ' ' N ' ' A' ' 3' ' ' THR . . . . . . . . 0 C--O 1.232 0.154 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.66 87.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 123.028 2.485 . . . . 0.0 112.013 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 1' ' ' ACE . 74.2 p -143.96 169.02 18.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.521 179.937 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.2 159.84 15.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.568 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.47 159.64 63.8 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.564 -179.938 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.56 100.03 0.04 OUTLIER 'Trans proline' 0 C--N 1.304 -1.784 0 C-N-CA 122.988 2.459 . . . . 0.0 111.964 -179.73 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.531 HD23 ' N ' ' A' ' 8' ' ' LYS . 1.2 tt -165.97 113.96 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.61 -179.977 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.531 ' N ' HD23 ' A' ' 7' ' ' LEU . 2.2 ttmp? -83.59 122.92 29.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.556 179.999 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.38 0 O-C-N 120.151 -1.593 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_