data_1cn2_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 1cn2 _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 79.2 tttt . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.301 -0.629 . . . . 1.0 109.301 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -98.78 158.37 15.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 1.0 110.324 -164.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 166.31 -161.53 35.19 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.486 1.116 . . . . 1.0 110.968 174.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -77.4 122.85 25.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 0.774 . . . . 1.0 111.015 170.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -60.46 167.37 2.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 1.0 109.283 172.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.9 p -136.64 146.58 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 1.0 109.363 -158.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -75.19 117.93 17.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 1.0 109.258 168.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.5 mmmt -75.92 -11.84 60.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.557 1.161 . . . . 1.0 109.291 -164.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -88.83 -77.9 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 1.0 109.325 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.96 -13.84 35.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.079 . . . . 1.0 110.402 -167.348 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 57.92 45.87 93.15 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.498 1.124 . . . . 1.0 110.992 -175.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m -88.3 154.23 20.57 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.288 -1.005 . . . . 1.0 108.288 163.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -60.38 142.21 55.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 1.0 109.32 -177.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -89.56 115.04 26.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 1.0 110.979 -177.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -96.21 125.84 41.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 1.0 110.396 -167.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -100.62 171.47 7.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 1.0 108.317 176.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.8 mt -80.83 -149.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 1.0 109.31 -173.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.1 ttpt -50.83 127.25 18.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 1.0 109.273 -174.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 pp -61.78 149.54 39.64 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.588 1.18 . . . . 1.0 109.341 -175.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.11 -48.81 1.1 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.531 1.144 . . . . 1.0 111.004 -178.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -71.9 97.96 1.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 0.746 . . . . 1.0 109.314 -169.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -88.74 40.34 0.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 1.0 109.3 -173.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -105.51 -46.11 4.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.459 1.099 . . . . 1.0 109.318 -177.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -72.69 -39.25 67.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 1.0 111.053 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.8 t -55.93 -53.63 54.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 1.0 108.247 175.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.59 -57.79 8.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 1.0 109.302 178.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 -54.12 -47.05 72.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 1.0 110.341 -173.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -63.99 -47.06 81.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.405 1.066 . . . . 1.0 110.267 -171.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -68.39 -27.32 66.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 1.0 108.266 -178.214 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.3 tptt -64.26 -50.09 69.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 1.0 109.306 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -105.7 46.07 0.94 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 1.0 110.336 -172.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -159.86 -40.18 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 1.0 110.31 158.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -105.47 27.11 8.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 1.0 111.011 178.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 109.19 142.56 9.78 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.537 1.148 . . . . 1.0 111.027 155.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -77.06 65.28 2.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 0.753 . . . . 1.0 109.332 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -173.11 32.09 0.11 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.569 1.168 . . . . 1.0 110.99 166.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -105.42 173.49 6.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 0.757 . . . . 1.0 109.339 -166.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -160.49 169.05 36.18 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.441 1.088 . . . . 1.0 110.982 174.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 171.44 -176.91 44.56 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.063 -0.815 . . . . 1.0 111.063 -170.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -156.29 171.09 20.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 0.784 . . . . 1.0 111.039 172.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.2 m -98.59 110.41 23.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 1.0 108.384 -171.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.464 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.7 OUTLIER -82.36 -170.52 2.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 1.0 111.049 162.288 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.85 89.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.093 . . . . 1.0 109.301 177.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.464 ' N ' ' O ' ' A' ' 42' ' ' TYR . 32.7 m-85 52.02 45.84 27.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.434 1.084 . . . . 1.0 111.0 176.007 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -158.99 133.44 7.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 1.0 109.3 176.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.555 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 7.6 t -95.35 102.35 14.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.573 1.171 . . . . 1.0 108.26 -175.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 9.6 t-105 -84.42 117.74 23.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 1.0 107.998 172.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.555 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 69.8 m -110.89 145.98 37.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 1.0 108.274 -178.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.4 t -154.99 64.09 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 1.0 110.436 -154.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -176.23 31.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 1.0 109.618 -169.192 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.3 mt -118.26 168.55 10.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 1.0 109.297 -153.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -109.26 179.88 4.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 1.0 111.048 -177.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -59.06 -30.11 67.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 1.0 110.251 -177.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -92.15 31.47 1.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 1.0 110.292 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.69 122.51 46.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.449 1.093 . . . . 1.0 109.323 157.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 29.2 mt -92.17 150.68 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 1.0 109.303 168.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -120.49 147.31 24.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.554 1.159 . . . . 1.0 109.359 176.28 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.551 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 66.2 t90 -57.08 153.74 23.14 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 1.0 107.997 -169.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.551 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.3 Cg_endo -75.04 -167.43 5.65 Favored 'Cis proline' 0 C--N 1.359 1.115 0 C-N-CA 121.0 -2.5 . . . . 1.0 111.003 -16.196 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.9 156.74 91.25 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 1.0 109.258 152.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -51.43 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.502 1.791 . . . . 1.0 110.976 172.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.6 p-10 -101.39 5.83 42.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 1.0 109.314 -158.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.5 pttp -169.52 67.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 1.0 109.335 174.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.4 ptm85 -68.14 166.5 16.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 1.0 110.267 165.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 1.0 108.272 175.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.278 -0.638 . . . . 1.0 109.278 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 31.5 mp0 -134.75 129.38 34.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 1.0 110.339 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -161.04 175.59 37.68 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.444 1.09 . . . . 1.0 110.993 -171.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -72.17 146.98 47.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 0.769 . . . . 1.0 110.996 169.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.2 tp -82.49 176.28 9.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.092 . . . . 1.0 109.316 -177.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -155.46 147.63 12.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.464 1.103 . . . . 1.0 109.291 -147.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -98.43 147.26 24.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 1.0 109.279 172.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -89.14 -27.5 20.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 1.0 109.328 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -76.94 -77.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 1.0 109.303 -176.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 70.7 p -84.38 -21.41 30.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 1.0 110.396 -172.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 61.95 28.99 71.26 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.141 . . . . 1.0 111.011 -168.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -117.51 143.61 45.89 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.327 -0.99 . . . . 1.0 108.327 177.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.8 tttm 73.23 89.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 1.0 109.264 142.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -138.13 110.38 7.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 1.0 111.046 166.25 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -167.03 169.15 13.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 1.0 110.266 -153.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -141.99 143.79 33.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 1.0 108.344 -179.21 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 pp -70.74 132.06 44.78 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 1.0 109.264 178.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt 69.61 144.48 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 1.0 109.299 -176.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -95.22 160.42 14.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 1.0 109.346 175.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.96 -52.25 0.77 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.558 1.161 . . . . 1.0 110.978 175.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -72.28 90.88 1.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.781 . . . . 1.0 109.35 -168.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.0 p-10 -84.66 59.74 5.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.163 . . . . 1.0 109.32 -174.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -107.03 -66.41 1.02 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 1.0 109.292 173.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -60.1 -39.68 87.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 1.0 110.966 -176.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 92.6 m -66.87 -36.69 82.88 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 1.0 108.308 -177.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.26 -48.01 81.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 1.0 109.235 175.155 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -61.98 -41.19 97.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 1.0 110.306 -176.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.16 -47.22 85.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 1.0 110.312 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.9 -46.37 74.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 1.0 108.32 176.165 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -81.9 -14.76 55.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 1.0 109.264 -164.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -107.4 56.19 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 1.0 110.252 164.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -177.67 -24.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 1.0 110.304 144.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -107.18 47.04 0.9 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 1.0 110.99 154.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.76 -14.58 10.1 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 1.0 111.015 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.45 68.34 1.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 0.737 . . . . 1.0 109.338 174.376 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.03 27.6 55.86 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.516 1.135 . . . . 1.0 110.887 154.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -106.04 -177.26 3.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 0.767 . . . . 1.0 109.357 -170.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.46 178.33 46.31 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.458 1.099 . . . . 1.0 111.039 -174.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 172.65 178.63 42.88 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.051 -0.82 . . . . 1.0 111.051 -160.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -159.37 179.93 8.52 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.477 0.751 . . . . 1.0 111.062 176.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 56.1 m -99.72 108.45 20.78 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.471 1.107 . . . . 1.0 108.351 -175.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.49 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -83.49 -164.03 0.84 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.572 1.17 . . . . 1.0 110.982 167.017 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.73 86.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 1.0 109.286 176.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.49 ' N ' ' O ' ' A' ' 42' ' ' TYR . 36.8 m-85 51.67 44.04 29.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 1.0 111.013 174.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -161.77 150.04 15.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 1.0 109.257 173.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 68.0 m -102.03 106.14 17.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 1.0 108.32 -169.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 17.2 t-105 -95.38 120.79 36.23 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.016 -1.105 . . . . 1.0 108.016 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 39.4 m -98.33 146.01 26.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 1.0 108.317 175.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.419 ' O ' ' CG ' ' A' ' 50' ' ' HIS . 1.8 t -148.7 34.17 0.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 1.0 110.383 -166.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.419 ' CG ' ' O ' ' A' ' 49' ' ' THR . 87.5 m-70 -155.1 34.3 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 1.0 109.645 171.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.54 176.57 3.99 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.557 1.161 . . . . 1.0 109.346 173.005 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.432 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -108.99 -167.78 1.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 1.0 111.016 166.284 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -49.82 -30.14 9.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 1.0 110.217 177.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -93.73 34.82 1.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 1.0 110.308 -178.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.96 121.56 9.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.387 1.054 . . . . 1.0 109.295 155.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.5 mp -111.43 135.12 51.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 1.0 109.274 157.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -139.03 148.62 23.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 1.0 109.309 -166.245 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.479 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 84.9 t90 -74.44 155.26 87.72 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 107.989 -1.115 . . . . 1.0 107.989 -176.138 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.479 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.2 Cg_endo -75.07 -178.12 22.54 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.997 -2.501 . . . . 1.0 110.995 -23.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.69 156.34 41.08 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 1.0 109.305 176.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -49.54 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.506 1.792 . . . . 1.0 111.03 -171.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.7 p-10 -103.72 4.72 35.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.157 . . . . 1.0 109.293 -162.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.9 ptmt -168.72 64.5 0.06 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.542 1.152 . . . . 1.0 109.311 174.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 50.5 ptt85 -63.87 163.82 11.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 1.0 110.279 166.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 8.5 t . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 1.0 108.297 171.582 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . 0.429 ' N ' ' OE2' ' A' ' 2' ' ' GLU . 34.3 ttpt . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.306 -0.627 . . . . 1.0 109.306 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.429 ' OE2' ' N ' ' A' ' 1' ' ' LYS . 18.6 mm-40 -90.06 150.12 22.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 1.0 110.306 -160.19 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -178.95 -166.59 35.2 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.472 1.107 . . . . 1.0 111.001 177.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -65.63 166.18 11.15 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.531 0.783 . . . . 1.0 110.992 174.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 mp -84.45 170.14 13.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.583 1.177 . . . . 1.0 109.242 163.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.8 p -154.69 148.5 12.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 1.0 109.28 -172.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -93.66 124.58 37.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 1.0 109.322 170.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.4 mmtp -65.13 -25.84 67.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 1.0 109.315 -168.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -71.94 -78.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 1.0 109.386 -175.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.6 p -95.15 -20.01 19.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 1.0 110.37 -169.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 64.09 40.29 97.98 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.432 1.083 . . . . 1.0 111.025 -163.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -102.92 -169.68 1.69 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.344 -0.984 . . . . 1.0 108.344 169.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.2 mttt 69.76 176.7 0.27 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 1.0 109.306 174.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 48.79 89.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 1.0 111.014 -168.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -158.27 75.0 0.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 1.0 110.273 -169.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.8 t -90.57 90.44 7.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 1.0 108.331 -149.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.2 mt -55.42 140.48 39.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 1.0 109.304 167.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.1 tttt 61.51 77.41 0.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 1.0 109.32 -169.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.7 pp -57.1 150.66 16.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 1.0 109.256 170.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 118.72 -55.98 0.58 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.523 1.139 . . . . 1.0 111.012 -178.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.54 95.9 0.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 0.786 . . . . 1.0 109.299 -164.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -96.09 57.27 1.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 1.0 109.293 -173.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -106.01 -68.78 0.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 1.0 109.312 -176.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -68.5 -27.13 65.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 1.0 110.964 177.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.8 t -57.15 -59.08 5.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 1.0 108.3 171.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.56 -45.17 77.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 1.0 109.292 -175.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.0 mtt85 -58.94 -56.71 18.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 1.0 110.27 -176.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -64.14 -39.93 95.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 1.0 110.289 -174.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 5.8 t -54.22 -53.09 58.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 1.0 108.326 176.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -68.59 -44.49 74.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 1.0 109.241 -168.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -107.43 48.26 0.85 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 1.0 110.267 -175.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.504 ' HG3' ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -167.56 -34.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 1.0 110.29 160.764 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.504 ' N ' ' HG3' ' A' ' 32' ' ' GLN . 0.1 OUTLIER -118.53 38.64 3.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 1.0 111.0 172.658 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 118.63 132.5 4.56 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.524 1.14 . . . . 1.0 110.989 147.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -81.33 63.12 5.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.751 . . . . 1.0 109.27 -166.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 178.61 -42.5 0.08 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.475 1.11 . . . . 1.0 111.011 -174.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.21 163.97 14.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 0.753 . . . . 1.0 109.303 -175.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -134.15 -171.08 12.46 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.441 1.088 . . . . 1.0 111.013 176.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 174.68 172.01 39.36 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.023 -0.831 . . . . 1.0 111.023 -166.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -157.6 167.88 28.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 0.769 . . . . 1.0 110.99 174.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 6.2 m -81.09 99.98 8.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 1.0 108.364 178.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.504 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -81.5 -158.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 1.0 111.017 170.262 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.44 82.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 1.0 109.3 168.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.504 ' N ' ' O ' ' A' ' 42' ' ' TYR . 62.0 m-85 50.43 52.95 13.78 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.173 . . . . 1.0 110.978 166.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -175.32 175.3 2.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.137 . . . . 1.0 109.308 124.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 41.9 t -68.58 101.65 1.32 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 1.0 108.292 -176.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 10.3 t-105 -84.58 116.33 23.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 1.0 107.944 175.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 27.1 m -105.71 142.72 34.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 1.0 108.309 -178.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.8 t -148.69 47.99 1.02 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 1.0 110.418 -156.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -167.32 60.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 1.0 109.558 159.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 29.5 mt -104.92 -179.04 3.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 1.0 109.338 -164.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -107.91 -176.61 3.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 1.0 110.996 178.046 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -58.51 -26.98 64.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.1 . . . . 1.0 110.223 -177.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -90.83 29.37 1.35 Allowed 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.557 1.161 . . . . 1.0 110.29 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.58 114.14 7.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 1.0 109.276 162.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 8.0 mm -108.26 137.34 40.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.484 1.115 . . . . 1.0 109.309 166.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -133.74 145.27 33.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.536 1.147 . . . . 1.0 109.313 -167.19 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.491 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 92.5 t90 -58.7 156.35 24.78 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 1.0 108.027 -172.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.491 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.3 Cg_endo -75.06 -164.71 3.74 Favored 'Cis proline' 0 C--N 1.361 1.203 0 C-N-CA 120.952 -2.52 . . . . 1.0 110.998 -23.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.71 151.59 55.65 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 1.0 109.348 154.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -45.12 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.543 1.812 . . . . 1.0 110.948 -163.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -97.24 3.39 51.4 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 1.0 109.319 -170.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -160.11 113.39 2.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.095 . . . . 1.0 109.368 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.26 144.75 50.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 1.0 110.302 179.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 14.4 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 1.0 108.264 -176.405 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.4 tttp . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.334 -0.617 . . . . 1.0 109.334 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -83.83 130.48 34.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.621 1.2 . . . . 1.0 110.279 -161.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -168.92 -174.87 37.88 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.441 1.088 . . . . 1.0 111.033 -177.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -76.95 105.41 8.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.761 . . . . 1.0 111.017 166.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.9 142.07 5.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 1.0 109.267 177.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.9 p -110.23 154.61 11.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.583 1.177 . . . . 1.0 109.287 176.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -89.56 153.61 20.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 1.0 109.296 176.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.4 mttp -89.34 -26.58 21.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 1.0 109.276 -178.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -92.08 -69.98 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 1.0 109.272 -168.262 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 37.8 p -89.34 -13.32 38.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 1.0 110.327 -177.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 82.72 -11.13 54.26 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.443 1.089 . . . . 1.0 111.05 -171.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 32.1 m -101.74 -84.31 0.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.322 -0.992 . . . . 1.0 108.322 -159.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.535 ' O ' ' C ' ' A' ' 14' ' ' TYR . 1.4 ttmt 58.49 -90.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 1.0 109.284 -170.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.535 ' C ' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -21.77 -70.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.564 1.165 . . . . 1.0 110.988 -148.626 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 14' ' ' TYR . 68.9 mm-40 29.02 66.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 1.0 110.292 -171.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.9 t -82.49 133.17 35.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.547 1.154 . . . . 1.0 108.343 166.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 78.6 mt -72.16 -24.38 61.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 1.0 109.279 -165.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -148.47 -169.81 3.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 1.0 109.3 177.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -105.96 147.91 28.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 1.0 109.312 165.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 118.66 -48.17 0.97 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.526 1.141 . . . . 1.0 110.953 174.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -73.28 93.55 1.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.77 . . . . 1.0 109.3 -169.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -94.65 38.86 1.1 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 1.0 109.29 -169.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -105.16 -50.64 3.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 1.0 109.337 -171.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -73.29 -30.0 63.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 1.0 111.025 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 43.1 t -59.11 -54.51 46.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.466 1.104 . . . . 1.0 108.293 175.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.19 -56.12 18.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 1.0 109.3 178.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.8 mtt85 -56.89 -46.51 81.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 1.0 110.354 -172.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -54.05 -61.13 2.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 1.0 110.288 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.2 m -62.79 -27.78 69.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 1.0 108.316 -171.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -66.94 -47.16 72.51 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 1.0 109.319 177.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -92.16 46.92 1.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 1.0 110.312 -177.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -167.99 -39.08 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 1.0 110.301 157.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -118.77 16.34 13.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.498 1.124 . . . . 1.0 110.989 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.58 79.23 0.45 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.547 1.154 . . . . 1.0 110.991 177.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -105.25 -7.1 19.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 1.0 109.299 156.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 159.5 43.71 0.02 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.583 1.177 . . . . 1.0 110.996 178.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -105.18 131.66 52.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 0.729 . . . . 1.0 109.292 -164.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.45 -179.5 18.4 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.562 1.164 . . . . 1.0 111.055 163.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 175.76 175.06 42.85 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 111.036 -0.825 . . . . 1.0 111.036 -175.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -154.24 168.23 27.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 0.783 . . . . 1.0 110.993 172.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 m -90.37 106.67 18.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 1.0 108.339 -178.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.52 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -82.5 -161.64 0.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 1.0 111.008 164.312 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.63 87.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 1.0 109.273 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.52 ' N ' ' O ' ' A' ' 42' ' ' TYR . 30.9 m-85 55.92 34.94 24.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.398 1.061 . . . . 1.0 110.961 168.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -165.7 166.89 17.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.423 1.077 . . . . 1.0 109.349 166.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.43 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 1.5 t -110.2 106.8 16.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 1.0 108.292 -163.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 11.9 t-105 -84.51 120.65 26.57 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.934 -1.136 . . . . 1.0 107.934 172.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.43 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 66.5 m -111.4 144.23 40.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.406 1.066 . . . . 1.0 108.277 178.498 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.404 ' O ' ' CG ' ' A' ' 50' ' ' HIS . 1.1 t -145.19 52.28 1.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 1.0 110.394 -158.403 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.404 ' CG ' ' O ' ' A' ' 49' ' ' THR . 14.6 m-70 -160.79 71.3 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 1.0 109.601 149.289 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 65.2 mt -113.78 158.16 21.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 1.0 109.251 -162.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -108.84 175.53 5.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 1.0 111.001 174.318 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -50.91 -38.77 52.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 1.0 110.31 -178.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -84.35 -2.15 56.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.16 . . . . 1.0 110.33 -167.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.35 116.04 28.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 1.0 109.27 172.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 18.9 mm -98.83 150.55 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 1.0 109.329 -160.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -130.38 153.43 38.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 1.0 109.365 -174.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.51 ' CD1' ' HA ' ' A' ' 59' ' ' PRO . 48.6 t90 -52.46 159.78 1.53 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 1.0 107.978 -171.322 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.51 ' HA ' ' CD1' ' A' ' 58' ' ' TRP . 18.2 Cg_endo -75.09 -169.5 7.43 Favored 'Cis proline' 0 C--N 1.361 1.189 0 C-N-CA 120.903 -2.54 . . . . 1.0 111.012 -29.44 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -104.17 162.22 20.53 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 1.0 109.349 152.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 -54.97 0.08 OUTLIER 'Trans proline' 0 C--N 1.358 1.079 0 O-C-N 124.534 1.807 . . . . 1.0 111.025 -164.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -92.64 1.49 57.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 1.0 109.323 -166.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -164.21 122.44 1.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 1.0 109.35 177.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.26 151.08 50.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.165 . . . . 1.0 110.316 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 11.1 t . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 1.0 108.291 168.41 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.338 -0.616 . . . . 1.0 109.338 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -80.63 113.27 18.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 1.0 110.272 -154.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 174.4 -176.3 46.74 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.439 1.087 . . . . 1.0 110.993 -169.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -74.24 95.6 2.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 0.756 . . . . 1.0 111.012 -177.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -47.37 139.51 6.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 1.0 109.356 -178.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.3 p -107.63 148.25 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 1.0 109.224 -177.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -84.3 133.18 34.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 1.0 109.261 -168.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -72.92 -25.15 60.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.568 1.167 . . . . 1.0 109.242 -173.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -76.29 -83.07 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 1.0 109.282 177.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 67.2 p -93.53 -12.33 29.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 1.0 110.367 -164.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.83 -1.62 85.8 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.128 . . . . 1.0 111.004 -169.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.461 ' O ' ' C ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -104.33 -82.35 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.254 -1.017 . . . . 1.0 108.254 -176.487 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.531 ' O ' ' N ' ' A' ' 15' ' ' GLU . 68.3 tttt 19.13 -100.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 1.0 109.332 -154.114 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER 21.12 -73.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 1.0 110.993 -130.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 13' ' ' LYS . 11.1 tp10 42.14 86.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.553 1.158 . . . . 1.0 110.312 -167.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.953 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 24.4 p -133.62 81.65 1.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.1 . . . . 1.0 108.345 153.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 pp -51.81 147.86 6.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 1.0 109.251 170.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.2 ttpp 62.57 96.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 1.0 109.295 -174.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.65 160.79 1.22 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.606 1.191 . . . . 1.0 109.248 173.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.41 -42.72 1.89 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.569 1.168 . . . . 1.0 110.961 178.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -92.31 105.7 17.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 0.785 . . . . 1.0 109.279 -166.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -132.58 91.56 2.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 1.0 109.336 173.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -105.28 -52.09 2.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 1.0 109.291 150.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -68.2 -24.23 64.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 1.0 110.978 -171.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.2 m -80.17 -41.3 25.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 1.0 108.283 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.94 -46.88 64.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 1.0 109.315 168.201 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.2 mmm-85 -66.37 -41.57 89.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 1.0 110.261 -178.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -57.87 -54.56 45.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 1.0 110.332 -178.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.97 -39.11 68.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 1.0 108.276 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.7 tttt -65.45 -47.88 74.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 1.0 109.323 -175.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -106.71 45.73 0.96 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.094 . . . . 1.0 110.313 -175.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.408 ' HG3' ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -165.09 -24.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 1.0 110.315 168.335 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.416 ' OH ' ' N ' ' A' ' 56' ' ' ILE . 8.0 m-85 -128.9 66.65 1.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 1.0 110.947 155.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.33 136.74 2.9 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.428 1.08 . . . . 1.0 111.003 150.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -77.03 67.92 3.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.431 0.724 . . . . 1.0 109.303 -175.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -175.68 34.85 0.1 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.564 1.165 . . . . 1.0 110.97 159.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -106.71 179.38 4.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 0.741 . . . . 1.0 109.285 -170.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -169.44 178.68 42.41 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.497 1.123 . . . . 1.0 111.058 -178.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 173.29 -172.78 45.41 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.027 -0.829 . . . . 1.0 111.027 -167.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -158.01 167.48 29.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 0.762 . . . . 1.0 110.991 166.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 44.8 t -89.28 105.24 17.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 1.0 108.272 -176.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.541 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -82.69 -161.93 0.53 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.61 1.194 . . . . 1.0 110.99 165.445 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.03 87.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 1.0 109.266 -176.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.541 ' N ' ' O ' ' A' ' 42' ' ' TYR . 5.2 m-85 60.85 26.09 15.97 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.593 1.183 . . . . 1.0 110.972 168.097 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -176.12 157.36 1.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 1.0 109.262 167.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.953 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 91.0 m -111.53 118.21 35.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 1.0 108.274 -149.572 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 4.0 t-105 -84.54 119.84 25.65 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.039 -1.097 . . . . 1.0 108.039 177.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.4 m -90.82 148.15 22.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 1.0 108.279 176.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.4 ' O ' ' CG ' ' A' ' 50' ' ' HIS . 2.6 t -155.1 43.39 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 1.0 110.395 -169.412 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.4 ' CG ' ' O ' ' A' ' 49' ' ' THR . 73.2 m-70 -152.0 67.31 0.86 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 1.0 109.592 161.492 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.4 mt -124.94 172.74 9.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 1.0 109.28 -163.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -107.79 173.39 6.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 1.0 111.069 169.017 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -58.39 -24.42 59.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 1.0 110.291 -172.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -112.86 45.07 1.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 1.0 110.287 -176.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 1' ' ' LYS . . . -107.48 109.47 21.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 1.0 109.339 156.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.416 ' N ' ' OH ' ' A' ' 33' ' ' TYR . 36.7 mm -76.61 143.18 13.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.563 1.164 . . . . 1.0 109.3 -168.295 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -124.2 152.39 29.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 1.0 109.31 -176.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.567 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 87.4 t90 -49.88 151.46 3.24 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 1.0 108.019 -168.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.567 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.2 Cg_endo -75.04 178.82 33.03 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 120.937 -2.526 . . . . 1.0 111.039 -14.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 16.3 mt -67.26 169.92 7.63 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 1.0 109.344 157.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -67.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.501 1.79 . . . . 1.0 111.044 154.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.6 p-10 -98.77 2.03 46.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 1.0 109.304 -141.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.4 pttp -175.51 67.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 1.0 109.295 173.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -77.97 156.84 29.96 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.542 1.151 . . . . 1.0 110.263 177.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 10.9 t . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.474 1.109 . . . . 1.0 108.353 176.28 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.1 tptp . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.256 -0.646 . . . . 1.0 109.256 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.67 -175.22 5.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 1.0 110.345 -155.054 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.613 ' O ' ' CE3' ' A' ' 47' ' ' TRP . . . 156.08 -40.21 0.58 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.421 1.076 . . . . 1.0 111.029 164.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 162.67 96.69 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 0.753 . . . . 1.0 110.984 -167.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.45 144.14 13.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 1.0 109.286 176.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.6 p -122.45 148.91 25.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 1.0 109.335 -166.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -71.08 119.23 14.9 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.468 1.105 . . . . 1.0 109.291 169.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -78.33 -7.86 57.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 1.0 109.299 -160.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -94.6 -76.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 1.0 109.308 179.243 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.39 -18.27 27.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 1.0 110.378 -169.248 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 60.9 38.98 96.28 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.505 1.128 . . . . 1.0 110.999 -170.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -101.4 -175.77 2.95 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.27 -1.011 . . . . 1.0 108.27 -177.152 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.9 ptmm? -56.59 154.95 8.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 1.0 109.302 175.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -126.49 -43.51 1.75 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 1.0 111.023 171.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 66.34 86.06 0.14 Allowed 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.424 1.078 . . . . 1.0 110.323 156.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.7 p -73.76 -25.58 60.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.398 1.061 . . . . 1.0 108.331 -175.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.0 mt 62.7 160.97 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 1.0 109.302 -172.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.1 tttm 56.28 74.17 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 1.0 109.311 171.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 pp -57.0 143.42 38.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 1.0 109.305 -175.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.73 -45.52 1.31 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.528 1.142 . . . . 1.0 111.019 -175.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -71.69 88.82 0.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 0.782 . . . . 1.0 109.288 -169.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -90.24 60.14 4.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 1.0 109.297 -174.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -105.38 -68.12 0.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 1.0 109.299 177.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -68.26 -27.53 66.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 1.0 110.997 -172.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 87.0 m -66.78 -42.49 85.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.399 1.062 . . . . 1.0 108.312 174.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.37 -42.77 92.4 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.502 1.126 . . . . 1.0 109.282 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 -59.06 -47.61 84.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 1.0 110.317 -178.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -60.89 -54.56 43.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 1.0 110.252 177.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -53.11 -36.19 60.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 1.0 108.235 -177.506 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.25 -60.54 3.59 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.484 1.115 . . . . 1.0 109.282 -178.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -91.67 45.11 1.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 1.0 110.333 -169.687 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -159.6 -41.94 0.05 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 1.0 110.294 149.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -101.38 -5.32 25.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 1.0 110.967 -174.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.07 78.91 0.77 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.484 1.115 . . . . 1.0 110.954 -169.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -107.23 49.71 0.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 0.728 . . . . 1.0 109.373 158.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.38 12.45 63.03 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 1.0 110.971 -172.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.36 176.32 9.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 0.734 . . . . 1.0 109.29 -178.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -155.53 171.24 33.57 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.472 1.108 . . . . 1.0 111.032 -177.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.42 160.52 24.31 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.056 -0.817 . . . . 1.0 111.056 -172.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.1 p90 -149.78 179.1 8.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.506 0.768 . . . . 1.0 111.024 -171.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 45.3 t -102.15 107.69 18.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 1.0 108.307 -174.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.497 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -82.45 -161.54 0.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 1.0 111.035 171.125 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.72 85.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 1.0 109.272 174.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.497 ' N ' ' O ' ' A' ' 42' ' ' TYR . 5.3 m-85 55.77 37.73 29.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 1.0 111.036 171.244 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -166.33 151.66 8.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 1.0 109.275 175.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 95.0 m -87.38 144.63 26.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 1.0 108.343 -176.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.613 ' CE3' ' O ' ' A' ' 3' ' ' GLY . 1.5 t-105 -128.87 127.42 41.8 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.014 -1.106 . . . . 1.0 108.014 167.539 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.9 m -106.5 134.76 49.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 1.0 108.291 177.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' A' ' 49' ' ' THR . 1.1 t -131.06 30.48 4.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 1.0 110.389 -153.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -174.63 42.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 1.0 109.58 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.413 ' CD1' ' N ' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -82.32 176.28 9.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 1.0 109.324 164.663 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.49 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -107.82 -166.19 1.12 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.543 1.152 . . . . 1.0 111.005 -170.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -43.6 -30.7 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 1.0 110.308 175.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -100.14 38.26 1.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 1.0 110.3 -177.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.41 101.67 0.78 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 1.0 109.332 164.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 22.3 mm -88.56 117.98 33.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.447 1.092 . . . . 1.0 109.257 165.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -117.89 146.22 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 1.0 109.294 -175.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.526 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 42.5 t90 -59.03 152.47 50.54 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.492 1.12 . . . . 1.0 108.072 -166.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.526 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.1 Cg_endo -75.0 -162.46 2.79 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 120.973 -2.511 . . . . 1.0 110.986 -14.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.21 147.57 83.11 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 1.0 109.259 154.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -58.85 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.799 . . . . 1.0 111.027 -157.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -111.16 23.9 13.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.565 1.165 . . . . 1.0 109.271 -172.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.66 58.3 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 1.0 109.284 166.224 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.81 160.3 20.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 1.0 110.268 174.033 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 11.9 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 1.0 108.242 -172.991 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.5 pttt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.292 -0.633 . . . . 1.0 109.292 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -115.4 -173.68 2.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 1.0 110.321 -176.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 153.03 -167.29 31.7 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.48 1.112 . . . . 1.0 110.952 158.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -66.62 102.4 0.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 0.795 . . . . 1.0 110.95 171.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.457 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 1.0 OUTLIER -44.11 139.46 2.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 1.0 109.306 168.064 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.4 p -111.54 143.3 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 1.0 109.35 -176.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.85 134.94 47.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 1.0 109.296 -173.259 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.45 6.9 46.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 1.0 109.274 -160.325 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -100.63 -72.34 0.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 1.0 109.273 169.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.72 -17.6 14.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.113 . . . . 1.0 110.373 -169.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.8 35.28 89.43 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.524 1.14 . . . . 1.0 110.972 -171.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.86 95.3 5.7 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.255 -1.017 . . . . 1.0 108.255 -175.259 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.6 tttt 77.77 148.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 1.0 109.317 162.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.457 ' CE2' ' HB3' ' A' ' 5' ' ' LEU . 22.4 t80 -154.42 68.35 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 1.0 110.957 174.187 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -126.96 159.46 33.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.135 . . . . 1.0 110.312 -163.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.5 m -108.42 171.29 7.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 1.0 108.304 -173.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 67.8 mt -77.53 -50.75 11.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 1.0 109.366 176.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -130.7 171.08 13.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 1.0 109.235 171.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.7 pp -84.98 145.15 27.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 1.0 109.295 174.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.99 -7.31 73.24 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.536 1.148 . . . . 1.0 111.004 -177.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -79.58 56.43 2.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 0.729 . . . . 1.0 109.277 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 22.2 p-10 -89.66 46.02 1.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 1.0 109.327 -157.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.38 -60.7 1.62 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 1.0 109.311 175.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -59.54 -36.27 75.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 1.0 110.982 -178.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 60.3 m -63.84 -51.73 63.32 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.566 1.167 . . . . 1.0 108.248 -179.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.33 -49.78 75.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 1.0 109.311 178.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.1 mtm180 -66.2 -44.63 83.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 1.0 110.295 -165.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -65.32 -40.33 93.58 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.552 1.158 . . . . 1.0 110.317 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -59.19 -36.61 75.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 1.0 108.323 172.016 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -77.64 -20.06 54.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 1.0 109.304 -172.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -100.53 44.57 1.01 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 1.0 110.319 174.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -174.98 -25.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.443 1.09 . . . . 1.0 110.294 153.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -111.26 45.42 1.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 1.0 111.023 158.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -46.74 -25.67 2.36 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.415 1.072 . . . . 1.0 110.941 172.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -73.57 67.82 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 1.0 109.316 175.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.9 67.47 1.48 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.503 1.127 . . . . 1.0 110.991 165.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -107.13 138.68 42.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.76 . . . . 1.0 109.273 169.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -134.03 -1.38 3.67 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.446 1.091 . . . . 1.0 110.975 -174.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.05 -171.88 3.1 Favored Glycine 0 CA--C 1.531 1.08 0 N-CA-C 110.964 -0.855 . . . . 1.0 110.964 -173.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -169.72 179.3 3.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 0.788 . . . . 1.0 110.98 -154.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 56.3 m -97.09 107.7 20.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.167 . . . . 1.0 108.276 -178.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.491 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -82.91 -164.48 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 1.0 110.985 169.615 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.24 88.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 1.0 109.279 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.491 ' N ' ' O ' ' A' ' 42' ' ' TYR . 37.2 m-85 53.44 40.4 31.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 1.0 111.004 172.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -161.85 145.42 12.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 1.0 109.323 166.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 86.2 m -88.5 130.13 35.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 1.0 108.325 175.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 2.9 t-105 -129.62 132.28 46.7 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.949 -1.13 . . . . 1.0 107.949 -178.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 66.9 m -103.74 143.5 32.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 1.0 108.278 -179.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 t -155.31 60.77 0.63 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 1.0 110.39 -162.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -175.05 38.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 1.0 109.639 -175.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.7 mt -113.98 170.09 8.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 1.0 109.307 -158.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -108.66 -173.87 2.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 1.0 111.032 174.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -58.86 -22.58 59.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 1.0 110.326 -175.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -92.35 33.95 1.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 1.0 110.299 175.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.83 127.64 32.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 1.0 109.291 159.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.6 mm -114.07 122.07 67.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 1.0 109.268 170.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -134.36 149.24 29.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 1.0 109.376 -169.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.515 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 73.3 t90 -60.1 152.16 62.88 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.573 1.171 . . . . 1.0 107.982 -166.14 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.515 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.0 Cg_endo -75.05 -177.26 20.01 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.037 -2.485 . . . . 1.0 110.958 -16.078 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 mt -75.03 150.75 85.94 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 1.0 109.292 166.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -34.55 3.83 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.475 1.776 . . . . 1.0 111.012 -155.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.407 ' OD1' ' NZ ' ' A' ' 63' ' ' LYS . 3.0 p30 -148.65 49.58 1.01 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.556 1.16 . . . . 1.0 109.274 172.207 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.407 ' NZ ' ' OD1' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -172.42 59.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 1.0 109.348 167.742 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.0 ptt-85 -66.91 171.68 5.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 1.0 110.306 173.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 5.8 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 1.0 108.259 167.469 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.338 -0.616 . . . . 1.0 109.338 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -126.49 152.68 46.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 1.0 110.334 169.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 166.96 -166.19 39.0 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.573 1.17 . . . . 1.0 111.006 -171.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -77.69 126.56 31.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 0.793 . . . . 1.0 111.042 -175.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -63.01 162.44 11.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 1.0 109.315 -175.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -137.33 144.68 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 1.0 109.319 -169.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -78.25 129.31 34.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 1.0 109.313 173.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.52 -21.91 61.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 1.0 109.238 -174.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -79.2 -80.64 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 1.0 109.287 -178.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 73.6 p -84.18 -21.87 31.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 1.0 110.411 -168.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 51.49 40.22 46.47 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.501 1.126 . . . . 1.0 111.049 -166.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -93.72 157.34 16.21 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.249 -1.019 . . . . 1.0 108.249 177.139 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -58.69 132.28 53.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 1.0 109.33 -167.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -125.89 125.42 42.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 1.0 111.019 -176.227 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -154.93 172.2 18.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 1.0 110.367 -157.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.1 t -82.13 -46.73 13.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 1.0 108.267 -168.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 24.7 mt 59.21 122.41 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 1.0 109.316 -143.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.7 tttm 66.14 101.54 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 1.0 109.344 -175.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.38 167.2 7.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.583 1.177 . . . . 1.0 109.356 175.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.82 -58.05 0.64 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.108 . . . . 1.0 110.941 173.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -73.83 93.97 2.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.529 0.782 . . . . 1.0 109.337 -165.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -84.18 50.68 1.9 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 1.0 109.278 -173.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -106.63 -56.62 2.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.555 1.159 . . . . 1.0 109.25 -175.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -74.39 -30.98 62.18 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.488 1.118 . . . . 1.0 110.98 -179.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 81.7 m -59.76 -45.36 92.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 1.0 108.279 174.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.99 -47.8 83.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.388 1.055 . . . . 1.0 109.288 -179.181 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.1 mtt85 -58.42 -51.45 69.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 1.0 110.285 -175.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -67.03 -40.61 87.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 1.0 110.278 -173.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -56.26 -42.71 77.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 1.0 108.289 173.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -65.88 -55.14 18.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 1.0 109.35 -172.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -98.94 47.42 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 1.0 110.332 -175.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.4 ' HG3' ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -167.6 -26.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 1.0 110.313 165.58 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.4 ' N ' ' HG3' ' A' ' 32' ' ' GLN . 1.8 m-85 -122.76 66.84 0.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 1.0 110.981 155.496 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.56 140.08 8.33 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.512 1.133 . . . . 1.0 111.056 145.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -74.05 65.18 1.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.582 0.813 . . . . 1.0 109.297 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -166.83 -54.27 0.03 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.522 1.139 . . . . 1.0 110.997 176.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.07 177.81 3.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 0.76 . . . . 1.0 109.253 -156.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -159.63 -173.95 28.76 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.477 1.11 . . . . 1.0 111.075 -176.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.27 -178.09 48.28 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.079 -0.808 . . . . 1.0 111.079 -154.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -159.1 170.05 22.87 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.528 0.781 . . . . 1.0 111.08 172.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 87.6 m -95.38 105.08 17.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 1.0 108.255 -172.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.485 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -83.64 -170.19 2.94 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.531 1.145 . . . . 1.0 110.983 167.855 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.08 89.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 1.0 109.347 -178.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.485 ' N ' ' O ' ' A' ' 42' ' ' TYR . 45.9 m-85 49.8 47.26 23.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 1.0 110.999 177.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -162.47 145.13 11.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 1.0 109.282 164.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 35.0 m -99.81 104.38 16.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 1.0 108.342 -173.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 4.2 t-105 -87.7 121.73 30.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 1.0 108.003 -177.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.95 143.98 26.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 1.0 108.299 169.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.413 ' O ' ' CG ' ' A' ' 50' ' ' HIS . 2.1 t -144.52 36.92 1.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 1.0 110.451 -170.161 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.413 ' CG ' ' O ' ' A' ' 49' ' ' THR . 99.4 m-70 -151.22 61.94 0.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 1.0 109.623 168.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 23.0 mt -114.37 167.17 10.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 1.0 109.307 -167.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -108.45 -179.72 3.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 1.0 110.945 163.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -62.4 -23.54 66.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 1.0 110.3 -175.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -93.94 34.63 1.21 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.508 1.13 . . . . 1.0 110.331 177.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.06 123.29 47.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 1.0 109.271 150.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 53.4 mt -86.07 151.48 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.163 . . . . 1.0 109.257 165.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -122.02 143.27 35.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.414 1.072 . . . . 1.0 109.332 176.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.528 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 46.9 t90 -54.27 151.23 13.88 Favored Pre-proline 0 C--N 1.326 -0.446 0 N-CA-C 107.971 -1.122 . . . . 1.0 107.971 -159.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.528 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.2 Cg_endo -75.01 -160.81 2.3 Favored 'Cis proline' 0 C--N 1.361 1.187 0 C-N-CA 120.953 -2.52 . . . . 1.0 110.979 -13.056 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.5 156.72 91.5 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.486 1.116 . . . . 1.0 109.303 151.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -55.54 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.528 1.804 . . . . 1.0 111.014 167.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -102.55 7.64 40.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 1.0 109.288 -156.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -163.69 57.26 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 1.0 109.296 175.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.6 ptt85 -64.98 166.62 8.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 1.0 110.31 173.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 1.0 108.228 -175.942 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 19.4 ttpt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.341 -0.614 . . . . 1.0 109.341 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -93.93 158.11 15.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 1.0 110.256 -158.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 171.53 -167.67 40.76 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.465 1.103 . . . . 1.0 111.029 -178.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -77.62 105.64 8.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 0.747 . . . . 1.0 110.957 176.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -52.45 145.39 11.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 1.0 109.319 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.2 p -109.81 154.78 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.588 1.18 . . . . 1.0 109.267 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -86.06 157.84 19.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 1.0 109.325 179.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -105.05 -31.87 8.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 1.0 109.327 171.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.2 -66.96 0.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 1.0 109.316 -170.48 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 28.3 p -84.82 -28.59 26.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 1.0 110.376 174.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.47 19.67 73.43 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 1.0 110.993 -174.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -104.23 168.58 9.01 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.262 -1.014 . . . . 1.0 108.262 -169.11 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.8 tttt -60.47 136.24 57.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.401 1.063 . . . . 1.0 109.274 167.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -57.12 -46.98 82.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.158 . . . . 1.0 111.001 178.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 62.46 78.22 0.3 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.153 . . . . 1.0 110.334 -175.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 22.6 t -68.16 157.57 35.08 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 1.0 108.297 -174.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.77 -168.25 0.18 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.451 1.094 . . . . 1.0 109.297 -179.222 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.429 ' NZ ' ' OD1' ' A' ' 21' ' ' ASP . 12.0 tmtt? -39.59 128.14 1.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 1.0 109.337 173.152 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 pp -67.69 158.55 32.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 1.0 109.305 -172.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.97 -41.61 2.14 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.471 1.107 . . . . 1.0 110.982 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.429 ' OD1' ' NZ ' ' A' ' 18' ' ' LYS . 46.6 m-20 -75.57 88.59 2.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.777 . . . . 1.0 109.316 -172.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -94.02 50.86 1.45 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.54 1.15 . . . . 1.0 109.279 -169.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -105.25 -58.12 1.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 1.0 109.315 -177.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -73.46 -30.29 63.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 1.0 111.002 -177.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.9 t -57.02 -55.17 38.12 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.496 1.122 . . . . 1.0 108.324 170.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.76 -49.23 75.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.594 1.184 . . . . 1.0 109.36 -177.339 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.2 mtt85 -55.34 -51.44 66.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 1.0 110.286 -175.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -65.11 -47.7 76.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 1.0 110.325 -173.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.0 t -54.55 -43.11 71.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 1.0 108.231 178.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.6 ttmt -67.2 -53.39 30.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 1.0 109.336 -174.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -99.88 49.15 0.92 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 1.0 110.271 -176.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.458 ' HG3' ' N ' ' A' ' 33' ' ' TYR . 0.1 OUTLIER -165.4 -32.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 1.0 110.272 164.83 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.458 ' N ' ' HG3' ' A' ' 32' ' ' GLN . 0.1 OUTLIER -119.09 38.62 3.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 1.0 111.017 171.536 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.62 136.62 8.6 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.604 1.19 . . . . 1.0 110.976 156.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -78.3 64.6 3.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 0.774 . . . . 1.0 109.252 -169.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -178.31 -39.52 0.06 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.501 1.125 . . . . 1.0 110.967 -177.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.2 171.44 1.33 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 0.802 . . . . 1.0 109.328 178.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -159.88 -168.75 22.29 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.493 1.121 . . . . 1.0 111.015 -176.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 170.21 -175.02 44.3 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.966 -0.854 . . . . 1.0 110.966 -165.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -159.93 167.66 27.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 0.756 . . . . 1.0 110.907 171.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 16.7 t -89.06 101.89 14.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 1.0 108.33 -171.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.537 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -82.92 -165.16 1.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 1.0 111.01 172.499 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.23 85.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 1.0 109.273 -179.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.537 ' N ' ' O ' ' A' ' 42' ' ' TYR . 47.1 m-85 45.64 47.24 11.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 1.0 111.05 -179.15 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -160.52 139.1 10.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 1.0 109.251 168.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 15.0 t -90.42 102.01 14.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 1.0 108.287 -173.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 12.9 t-105 -84.73 114.87 22.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 1.0 107.997 -179.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 29.2 m -96.29 146.16 24.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 1.0 108.299 176.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.418 ' O ' ' CG ' ' A' ' 50' ' ' HIS . 7.7 t -154.81 45.1 0.51 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 1.0 110.383 -161.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.418 ' CG ' ' O ' ' A' ' 49' ' ' THR . 12.3 m-70 -165.24 59.48 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 1.0 109.596 164.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.4 mt -108.11 -177.24 3.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 1.0 109.324 -171.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -107.94 -177.02 3.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 1.0 111.007 167.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -63.37 -20.09 65.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.403 1.064 . . . . 1.0 110.345 -174.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -86.74 17.0 4.23 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 1.0 110.315 178.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.52 133.54 55.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.152 . . . . 1.0 109.245 163.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 8.8 mm -118.43 138.46 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 1.0 109.297 162.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -132.34 145.26 34.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 1.0 109.354 -174.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.532 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 78.1 t90 -60.61 151.59 70.42 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 1.0 107.969 -164.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.532 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.2 Cg_endo -75.04 -179.4 26.56 Favored 'Cis proline' 0 C--N 1.362 1.249 0 C-N-CA 120.998 -2.501 . . . . 1.0 110.992 -15.425 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.92 147.73 97.85 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 1.0 109.268 173.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -35.12 3.29 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.46 1.769 . . . . 1.0 111.032 -147.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -144.71 56.17 1.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 1.0 109.301 171.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.99 162.34 7.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 1.0 109.331 169.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -117.46 165.8 13.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 1.0 110.284 -167.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 1.0 108.252 174.042 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.325 -0.62 . . . . 1.0 109.325 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -84.06 167.47 16.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.571 1.169 . . . . 1.0 110.287 -158.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 159.47 -158.75 29.88 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.53 1.144 . . . . 1.0 111.034 177.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -78.38 122.51 25.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.773 . . . . 1.0 111.052 -177.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.82 160.71 5.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.145 . . . . 1.0 109.326 -169.166 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.1 p -130.8 150.41 34.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 1.0 109.279 175.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -79.11 148.53 32.35 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.547 1.154 . . . . 1.0 109.327 171.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.6 mmtp -92.19 -16.05 26.76 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.561 1.163 . . . . 1.0 109.331 -172.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -98.5 -73.09 0.63 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.458 1.099 . . . . 1.0 109.281 -174.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -84.42 -12.99 53.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 1.0 110.392 -174.395 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 56.78 33.91 64.05 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.594 1.183 . . . . 1.0 111.034 178.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.12 143.12 33.73 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.225 -1.028 . . . . 1.0 108.225 179.173 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.43 ' NZ ' ' OE1' ' A' ' 15' ' ' GLU . 20.7 pttp -65.46 162.11 18.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 1.0 109.281 176.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -101.47 -36.36 8.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.592 1.183 . . . . 1.0 110.961 -175.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.43 ' OE1' ' NZ ' ' A' ' 13' ' ' LYS . 34.4 tt0 63.16 87.71 0.1 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.458 1.099 . . . . 1.0 110.216 170.386 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.4 t -75.41 88.64 2.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 1.0 108.346 176.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.1 pp -50.76 145.49 6.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 1.0 109.295 167.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.5 tttp 61.95 89.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 1.0 109.318 -170.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.1 pp -61.55 159.51 12.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 1.0 109.294 172.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.89 -59.85 0.65 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 1.0 110.986 176.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -69.9 93.63 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.421 0.718 . . . . 1.0 109.297 -166.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.7 p-10 -85.67 62.38 7.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 1.0 109.28 -175.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -105.87 -66.05 1.02 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 1.0 109.319 172.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -62.32 -37.38 85.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 1.0 111.023 -176.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 44.9 t -54.65 -57.8 10.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 1.0 108.307 172.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.37 -40.32 74.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 1.0 109.278 -172.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.69 -58.7 5.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.388 1.055 . . . . 1.0 110.305 -178.018 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.99 -39.88 75.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 1.0 110.313 -174.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.7 t -58.07 -47.16 84.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 1.0 108.322 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.4 -35.3 68.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 1.0 109.295 -173.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -107.6 36.18 2.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 1.0 110.255 -170.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.487 ' HG3' ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -162.63 -35.67 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.578 1.174 . . . . 1.0 110.278 170.351 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.487 ' N ' ' HG3' ' A' ' 32' ' ' GLN . 0.1 OUTLIER -108.82 26.7 10.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.564 1.165 . . . . 1.0 110.961 174.913 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 108.62 142.84 10.13 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.508 1.13 . . . . 1.0 111.025 160.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -73.56 66.57 1.03 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 1.0 109.271 -176.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -165.9 -51.75 0.02 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.466 1.104 . . . . 1.0 110.935 177.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.52 174.88 2.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.599 0.823 . . . . 1.0 109.267 -162.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.05 -168.89 15.11 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.537 1.148 . . . . 1.0 110.982 177.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 173.62 179.51 44.32 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.0 -0.84 . . . . 1.0 111.0 -161.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -157.56 166.55 32.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 0.768 . . . . 1.0 111.004 171.411 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 96.1 m -87.32 104.19 16.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.416 1.072 . . . . 1.0 108.3 -175.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.489 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.2 OUTLIER -83.82 -172.85 4.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.399 1.062 . . . . 1.0 110.995 162.022 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.69 90.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 1.0 109.249 -172.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.489 ' N ' ' O ' ' A' ' 42' ' ' TYR . 25.9 m-85 54.02 40.66 31.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 1.0 110.983 174.479 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -162.5 135.91 6.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 1.0 109.304 167.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.2 t -85.09 109.77 18.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 1.0 108.375 -177.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 2.9 t-105 -86.06 122.12 29.63 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.952 -1.129 . . . . 1.0 107.952 175.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 23.0 m -99.27 139.16 35.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 1.0 108.285 174.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.3 t -143.74 46.05 1.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 1.0 110.437 -165.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 63.1 t60 -162.74 61.44 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 1.0 109.669 164.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 14.4 mt -108.65 174.56 5.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.407 1.067 . . . . 1.0 109.285 -170.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -106.84 -175.67 2.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.584 1.178 . . . . 1.0 110.962 177.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -56.42 -19.75 16.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 1.076 . . . . 1.0 110.277 -174.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.17 32.03 1.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 1.0 110.324 176.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -79.25 102.23 8.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 1.0 109.312 166.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 19.5 mm -98.05 146.66 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 1.0 109.328 163.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -133.35 138.49 51.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 1.0 109.331 -174.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.531 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 61.2 t90 -60.77 151.66 71.62 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 1.0 107.958 -155.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.531 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.1 Cg_endo -75.05 -164.25 3.53 Favored 'Cis proline' 0 C--N 1.361 1.196 0 C-N-CA 120.927 -2.531 . . . . 1.0 111.002 -14.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.29 158.73 31.71 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 1.0 109.302 160.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -50.82 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.473 1.775 . . . . 1.0 110.956 -169.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.0 p-10 -103.58 6.36 37.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 1.0 109.262 -160.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -165.05 60.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 1.0 109.323 175.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 50.6 ptt85 -64.03 166.33 7.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 1.0 110.278 170.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 1.0 108.312 175.415 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 48.5 pttt . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.345 -0.613 . . . . 1.0 109.345 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -137.7 141.19 41.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 1.0 110.359 -174.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 177.66 -172.38 45.07 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.516 1.135 . . . . 1.0 110.991 -177.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -75.92 111.65 11.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 0.801 . . . . 1.0 110.967 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.424 ' C ' ' CD2' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -54.66 161.41 1.51 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 1.0 109.297 -176.732 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.6 p -134.76 150.33 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 1.0 109.274 -173.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.25 120.05 26.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 1.0 109.307 171.05 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.0 mttt -72.32 -9.74 58.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 1.0 109.265 -170.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -75.98 -77.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 1.0 109.286 176.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.1 p -100.84 -20.96 15.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.387 1.054 . . . . 1.0 110.455 -165.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 57.25 40.0 91.07 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.485 1.115 . . . . 1.0 111.016 -176.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -102.89 -1.26 29.89 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.297 -1.001 . . . . 1.0 108.297 -173.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 pttt 72.67 159.83 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.167 . . . . 1.0 109.279 170.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -105.44 -52.78 2.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 1.0 110.959 -174.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 68.53 158.31 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 1.0 110.316 -175.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 1.149 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 1.6 p -141.88 119.56 11.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.573 1.171 . . . . 1.0 108.3 169.566 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -85.05 50.37 1.93 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 1.0 109.359 -166.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -178.84 80.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 1.0 109.315 -164.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.93 152.51 40.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 1.0 109.365 -168.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.2 -53.98 1.83 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.5 1.125 . . . . 1.0 111.05 -173.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -66.04 96.1 0.3 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 0.762 . . . . 1.0 109.287 -168.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -92.44 53.81 2.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 1.0 109.279 -175.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -106.16 -61.68 1.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 1.0 109.316 177.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -70.65 -30.98 67.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 1.0 111.001 -176.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 1.149 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 45.7 m -71.59 -31.82 67.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 1.0 108.237 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.45 -50.82 68.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.137 . . . . 1.0 109.312 169.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.9 mtt-85 -55.02 -46.95 75.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.422 1.076 . . . . 1.0 110.294 -176.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.35 -52.34 65.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 1.0 110.281 179.339 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -54.61 -40.24 68.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.078 . . . . 1.0 108.325 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -77.44 -22.95 50.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 1.0 109.306 -167.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -109.75 57.11 0.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 1.0 110.327 169.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -178.12 -24.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.098 . . . . 1.0 110.288 146.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -108.05 46.23 0.97 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 1.0 110.997 155.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.27 -7.45 25.51 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.489 1.118 . . . . 1.0 110.986 -178.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -73.69 66.46 1.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 0.759 . . . . 1.0 109.279 172.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 64.25 42.02 98.03 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.541 1.151 . . . . 1.0 111.005 162.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -106.69 170.08 8.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 1.0 109.278 176.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -146.08 -175.41 19.09 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.579 1.174 . . . . 1.0 110.983 168.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 178.22 179.6 48.24 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.033 -0.827 . . . . 1.0 111.033 -170.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -159.15 174.98 14.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 0.776 . . . . 1.0 110.931 174.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 14.1 t -96.37 108.52 21.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 1.0 108.338 -174.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -82.97 -173.13 4.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 1.0 111.007 171.209 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.571 ' O ' ' CG ' ' A' ' 44' ' ' PHE . . . -49.83 -40.29 41.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.105 . . . . 1.0 109.278 -158.214 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.571 ' CG ' ' O ' ' A' ' 43' ' ' ALA . 32.8 m-85 -161.18 71.62 0.41 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 1.0 111.071 156.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -175.09 164.85 3.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 1.0 109.27 156.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.462 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 99.0 m -93.84 104.32 16.39 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.464 1.103 . . . . 1.0 108.257 -171.329 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 7.7 t-105 -93.07 120.63 33.57 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.997 -1.112 . . . . 1.0 107.997 -177.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 33.8 m -101.51 144.31 30.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 1.0 108.321 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.0 t -153.1 42.98 0.61 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.464 1.103 . . . . 1.0 110.349 -157.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 16.5 t60 -164.52 56.52 0.14 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.391 1.057 . . . . 1.0 109.628 166.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.6 mt -103.81 179.33 4.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 1.0 109.299 -167.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -108.38 -172.23 2.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 1.0 110.956 174.021 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -54.66 -26.52 33.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 1.0 110.332 -177.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -91.38 31.91 1.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.591 1.182 . . . . 1.0 110.331 179.114 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.54 100.11 0.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 1.0 109.355 163.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.6 mm -100.65 138.46 24.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 1.0 109.292 167.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -138.97 143.93 30.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 1.0 109.367 -169.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.52 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 70.3 t90 -59.46 153.16 51.25 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 1.0 108.019 -159.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.52 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.4 Cg_endo -74.98 -160.36 2.17 Favored 'Cis proline' 0 C--N 1.36 1.138 0 C-N-CA 121.024 -2.49 . . . . 1.0 111.016 -16.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.1 154.98 88.53 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 1.0 109.326 153.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 -52.3 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.495 1.787 . . . . 1.0 110.97 173.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.2 p-10 -107.08 6.99 29.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 1.0 109.3 -159.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -164.89 57.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 1.0 109.302 176.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.7 ptt-85 -65.04 165.12 11.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 1.0 110.27 170.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 1.0 108.264 -174.58 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 58.7 tttp . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.308 -0.627 . . . . 1.0 109.308 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -137.75 156.8 47.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 1.0 110.328 176.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 164.83 -167.68 38.7 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.486 1.116 . . . . 1.0 110.993 155.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -74.77 93.74 2.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.394 0.702 . . . . 1.0 110.969 172.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.53 150.16 3.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 1.0 109.351 -165.059 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.5 p -115.96 152.14 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 1.0 109.276 168.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -87.07 153.12 21.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 1.0 109.342 -172.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.7 mttp -98.92 -4.78 32.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 1.0 109.242 -169.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -111.9 -70.63 0.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 1.0 109.278 -175.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.2 p -94.09 -6.47 45.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 1.0 110.359 -175.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 59.19 25.14 59.63 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.449 1.093 . . . . 1.0 110.994 -178.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.483 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -120.02 -160.02 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.273 -1.01 . . . . 1.0 108.273 -173.215 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.483 ' HB2' ' O ' ' A' ' 12' ' ' CYS . 49.6 mttm 82.24 -138.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 1.0 109.277 -178.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.482 ' CG ' ' C ' ' A' ' 13' ' ' LYS . 2.2 p90 30.88 63.62 0.19 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 1.0 110.982 -162.25 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -152.65 61.11 0.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 1.0 110.208 172.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.5 p -72.14 146.96 47.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 1.0 108.317 -176.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -68.62 128.73 37.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 1.0 109.251 -177.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 mtmp? 67.24 162.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 1.0 109.337 179.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -105.94 148.61 27.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 1.0 109.305 169.193 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.75 -29.86 10.67 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.542 1.151 . . . . 1.0 111.01 177.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.31 80.75 1.85 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 0.749 . . . . 1.0 109.314 -177.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -89.76 39.13 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 1.0 109.33 -168.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -103.74 -48.66 3.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 1.0 109.306 172.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -63.92 -32.88 74.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 1.0 110.947 -177.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.4 t -63.58 -56.76 13.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 1.0 108.312 176.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.3 mt -46.65 -50.21 18.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 1.0 109.314 176.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 52.1 mtt-85 -55.62 -52.31 64.23 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 1.0 110.339 -175.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -63.14 -43.33 98.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 1.0 110.28 -174.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.43 -35.22 71.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 1.0 108.316 177.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -69.52 -32.42 71.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 1.0 109.334 -169.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -105.33 43.54 1.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 1.0 110.306 -177.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -166.08 -38.15 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 1.0 110.331 159.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -121.77 25.37 9.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.589 1.181 . . . . 1.0 110.94 177.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.39 78.98 0.32 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.532 1.145 . . . . 1.0 111.04 176.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -106.71 23.87 13.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 0.764 . . . . 1.0 109.288 162.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.88 24.39 30.16 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.542 1.151 . . . . 1.0 111.007 -168.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.02 170.3 16.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.592 0.819 . . . . 1.0 109.257 178.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.94 176.19 21.07 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.434 1.084 . . . . 1.0 110.974 -178.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -179.41 177.41 48.29 Favored Glycine 0 CA--C 1.531 1.085 0 N-CA-C 110.998 -0.841 . . . . 1.0 110.998 -177.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -153.68 169.36 23.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.581 0.812 . . . . 1.0 110.983 171.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.0 m -93.35 106.03 18.04 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 1.0 108.254 -174.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.497 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -82.97 -162.12 0.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 1.0 111.004 167.539 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.2 85.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 1.0 109.317 177.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.497 ' N ' ' O ' ' A' ' 42' ' ' TYR . 53.2 m-85 50.67 49.56 20.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 1.0 110.973 172.485 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -167.52 167.31 13.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 1.0 109.281 157.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 12.5 t -99.04 108.95 21.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 1.0 108.366 -175.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 10.6 t-105 -85.22 116.76 23.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 1.0 108.034 168.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 13.1 m -103.44 143.65 32.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 1.0 108.276 177.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 t -145.3 49.45 1.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 1.0 110.289 -162.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -170.09 60.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 1.0 109.584 160.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.5 mt -104.68 171.25 7.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 1.0 109.321 -170.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -106.78 -179.5 3.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 1.0 110.993 164.105 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -67.07 -18.51 65.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 1.0 110.292 -173.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -78.4 -2.5 38.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.087 . . . . 1.0 110.228 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -93.44 140.99 28.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 1.0 109.31 171.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.8 mt -118.14 151.85 20.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 1.0 109.308 178.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -126.82 148.55 31.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 1.0 109.293 -177.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.549 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 90.5 t90 -57.94 154.29 29.16 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 1.0 108.058 -157.453 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.549 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.2 Cg_endo -75.02 -175.66 16.49 Favored 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 121.018 -2.493 . . . . 1.0 110.996 -18.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.1 mt -68.88 154.16 95.21 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 1.0 109.277 154.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -32.15 5.54 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.503 1.791 . . . . 1.0 111.019 -159.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -156.66 54.58 0.54 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 1.0 109.25 169.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.03 59.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 1.0 109.288 167.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 28.0 ptt180 -71.7 170.37 13.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 1.0 110.293 173.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 14.5 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 1.0 108.283 -169.522 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.348 -0.612 . . . . 1.0 109.348 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -114.03 163.77 14.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 1.0 110.352 -170.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 168.26 -164.24 37.83 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.426 1.079 . . . . 1.0 111.039 161.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -67.69 175.79 2.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.579 0.811 . . . . 1.0 111.076 176.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 mp -106.27 156.32 18.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 1.0 109.317 -178.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.7 p -149.44 140.8 17.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.61 1.194 . . . . 1.0 109.261 -161.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -101.65 172.04 7.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 1.0 109.292 175.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -97.91 -14.93 20.38 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.555 1.16 . . . . 1.0 109.36 175.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -80.41 -77.24 0.2 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 1.0 109.365 -176.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.1 p -98.78 -18.78 17.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 1.0 110.409 -176.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.96 -28.7 11.74 Favored Glycine 0 CA--C 1.528 0.906 0 O-C-N 124.56 1.163 . . . . 1.0 111.023 -168.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -53.7 16.74 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.282 -1.007 . . . . 1.0 108.282 -157.504 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.455 ' HG3' ' CD2' ' A' ' 14' ' ' TYR . 10.2 tptt 72.42 -83.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 1.0 109.27 176.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.455 ' CD2' ' HG3' ' A' ' 13' ' ' LYS . 23.3 m-85 -139.6 144.6 37.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 1.0 110.997 -164.365 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -147.38 84.2 1.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 1.0 110.284 172.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.5 p -59.6 109.15 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 1.0 108.286 179.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.4 mt -80.88 56.73 2.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 1.0 109.358 -172.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 44.2 tptt -174.73 66.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.165 . . . . 1.0 109.342 -169.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 pp -61.99 141.94 57.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 1.0 109.352 -173.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.72 -56.18 0.64 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.475 1.11 . . . . 1.0 110.976 -174.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.63 96.25 1.19 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 0.778 . . . . 1.0 109.293 -168.241 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.9 p-10 -89.81 64.89 6.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 1.0 109.319 -176.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -105.66 -64.47 1.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 1.0 109.266 172.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -70.8 -23.55 62.39 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 1.0 111.078 -170.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 98.8 m -74.76 -37.37 62.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 1.0 108.273 176.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.61 -16.11 59.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 1.0 109.306 -178.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 50.2 mtt85 -79.81 -46.94 16.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 1.0 110.304 166.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -59.87 -56.67 18.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.412 1.07 . . . . 1.0 110.294 -174.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.2 t -52.49 -38.32 59.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 1.0 108.308 -177.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.98 -54.69 12.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 1.0 109.298 -174.148 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -107.61 50.1 0.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 1.0 110.299 -171.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.503 ' HG3' ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -166.99 -34.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 1.0 110.316 160.035 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.503 ' N ' ' HG3' ' A' ' 32' ' ' GLN . 0.2 OUTLIER -112.91 35.5 3.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 1.0 111.066 172.389 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.65 135.81 8.32 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.527 1.142 . . . . 1.0 111.021 156.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -79.74 65.54 4.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 0.767 . . . . 1.0 109.338 -168.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -175.9 -42.92 0.06 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.556 1.16 . . . . 1.0 110.978 -179.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.17 159.85 11.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 0.792 . . . . 1.0 109.24 -179.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -134.97 -173.56 13.13 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 1.0 111.008 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 174.13 -178.5 45.96 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.01 -0.836 . . . . 1.0 111.01 -164.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -161.45 173.86 14.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 0.749 . . . . 1.0 110.988 173.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 40.2 t -96.75 109.37 22.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 1.0 108.286 -172.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.471 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -82.84 -165.8 1.16 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.454 1.096 . . . . 1.0 110.934 168.144 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.28 84.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 1.0 109.299 169.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.471 ' N ' ' O ' ' A' ' 42' ' ' TYR . 8.2 m-85 57.48 41.11 26.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 1.0 110.982 167.29 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -161.64 147.34 13.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 1.0 109.293 161.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 96.8 m -86.55 112.21 21.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 1.0 108.304 -177.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 18.7 t-105 -88.36 119.69 29.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 1.0 108.013 172.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 10.8 m -95.48 153.87 17.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 1.0 108.27 173.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.6 t -155.73 57.52 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 1.0 110.402 -174.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -176.87 61.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 1.0 109.539 157.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.6 mt -98.92 -175.38 3.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 1.0 109.29 -166.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -106.5 -178.77 3.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 1.0 111.036 172.035 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -68.85 -10.22 55.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 1.0 110.323 -169.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -91.84 30.5 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 1.0 110.264 170.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.31 93.19 3.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 1.0 109.324 166.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 25.0 mm -90.02 142.33 13.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 1.0 109.24 155.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -134.95 143.6 36.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 1.0 109.286 -165.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.608 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 57.6 t90 -62.81 152.71 81.8 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 1.0 107.993 178.704 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.608 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.3 Cg_endo -74.94 174.5 52.3 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.021 -2.491 . . . . 1.0 111.016 -12.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.6 mt -62.06 152.32 78.01 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 1.0 109.282 158.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -38.85 1.38 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.515 1.798 . . . . 1.0 110.984 -156.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 37.1 p-10 -134.69 31.65 3.35 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.518 1.136 . . . . 1.0 109.329 -177.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.0 pttm -167.22 58.17 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 1.0 109.299 178.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -64.65 163.58 13.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 1.0 110.285 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 1.0 108.289 171.062 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 45.8 pttt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.324 -0.621 . . . . 1.0 109.324 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -120.48 154.84 34.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 1.0 110.241 -179.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 164.64 -167.39 38.44 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.587 1.18 . . . . 1.0 111.004 161.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -66.06 116.98 7.74 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.447 0.733 . . . . 1.0 111.055 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.08 135.42 25.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 1.0 109.311 168.632 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.3 p -113.16 148.92 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 1.0 109.283 -171.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.23 133.2 37.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 1.0 109.267 170.102 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.2 ttpt -94.03 2.95 55.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 1.0 109.26 -159.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -99.69 -72.68 0.66 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 1.0 109.315 177.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.88 -20.02 19.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 1.0 110.376 -171.57 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 70.5 39.45 68.77 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.571 1.169 . . . . 1.0 111.028 -170.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 21.2 m -81.97 -85.7 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.344 -0.984 . . . . 1.0 108.344 175.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt -176.99 178.99 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 1.0 109.278 -176.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -106.75 -38.16 6.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 1.0 111.006 155.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 66.09 96.67 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 1.0 110.302 169.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 40.1 t -71.91 132.59 44.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 1.0 108.284 -174.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 pp -63.08 101.46 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 1.0 109.299 167.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? 69.52 120.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 1.0 109.297 176.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.94 158.87 15.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.145 . . . . 1.0 109.269 175.04 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.5 -42.37 1.91 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.465 1.103 . . . . 1.0 110.996 172.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -74.72 79.38 2.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 1.0 109.221 -173.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -88.14 49.12 1.74 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 1.0 109.364 -168.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -106.51 -49.62 3.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 1.0 109.269 171.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -64.6 -42.34 95.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.119 . . . . 1.0 110.96 -173.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.909 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 96.7 m -66.89 -43.32 83.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 1.0 108.305 -179.438 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.02 -42.23 89.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 1.0 109.264 176.385 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -66.88 -40.14 87.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 1.0 110.273 -175.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -69.64 -50.73 41.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 1.0 110.236 -173.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -66.04 -21.3 66.38 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.498 1.123 . . . . 1.0 108.25 -177.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -57.0 -55.92 28.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 1.0 109.308 174.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -105.89 41.32 1.42 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 1.0 110.302 -168.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -153.78 -43.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 1.0 110.305 161.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -105.11 14.44 29.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 1.0 111.043 -176.067 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 110.11 139.46 8.31 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.512 1.132 . . . . 1.0 111.05 164.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 66.4 mttt -80.3 68.18 6.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 0.773 . . . . 1.0 109.308 -173.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -166.03 44.12 0.27 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.544 1.153 . . . . 1.0 110.984 168.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -91.11 153.56 19.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.416 0.716 . . . . 1.0 109.297 -164.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.93 -0.45 11.76 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.442 1.089 . . . . 1.0 110.959 171.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -47.56 159.73 0.49 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.974 -0.85 . . . . 1.0 110.974 -176.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -152.27 171.68 17.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 1.0 111.013 -177.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.909 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 47.1 m -89.13 102.4 15.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 1.0 108.286 -172.262 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.499 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -83.29 -167.62 1.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 1.0 111.052 168.098 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.81 88.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 1.0 109.338 -178.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.499 ' N ' ' O ' ' A' ' 42' ' ' TYR . 35.2 m-85 49.57 42.66 23.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 1.0 111.044 177.115 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -162.19 146.04 12.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 1.0 109.315 176.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 93.7 m -94.52 100.98 12.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 1.0 108.257 -175.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 15.6 t-105 -83.75 113.11 20.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 1.0 107.971 174.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 68.1 m -107.23 143.81 34.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.583 1.177 . . . . 1.0 108.268 -178.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.6 t -150.92 36.5 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 1.0 110.388 -160.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -153.5 29.01 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 1.0 109.644 171.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.24 -172.44 0.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 1.0 109.35 176.123 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -106.74 -171.75 1.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 1.0 110.972 170.374 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -53.12 -25.52 13.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 1.0 110.336 -178.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -91.23 32.69 1.01 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 1.0 110.349 178.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.55 100.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 1.0 109.295 164.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 31.1 mm -94.0 131.38 41.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 1.0 109.324 163.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -127.46 145.55 34.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 1.0 109.281 -175.042 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.525 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 75.4 t90 -57.16 153.17 26.49 Favored Pre-proline 0 C--N 1.326 -0.439 0 N-CA-C 108.01 -1.108 . . . . 1.0 108.01 -172.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.525 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.2 Cg_endo -75.06 -174.38 14.04 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 120.981 -2.508 . . . . 1.0 110.966 -16.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.7 152.82 89.19 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 1.0 109.271 154.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -41.61 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.474 1.776 . . . . 1.0 111.045 -156.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -147.42 48.71 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 1.0 109.3 179.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.7 77.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.075 . . . . 1.0 109.273 166.644 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.61 152.23 42.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 1.0 110.351 -156.407 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 1.0 108.318 171.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . 0.401 ' NZ ' ' O ' ' A' ' 53' ' ' GLU . 58.1 tttt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.292 -0.633 . . . . 1.0 109.292 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -93.67 153.18 18.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 1.0 110.25 -159.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 173.63 -160.33 30.5 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.461 1.1 . . . . 1.0 111.012 165.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -85.86 111.18 19.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 0.748 . . . . 1.0 110.937 177.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.76 164.1 2.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 1.0 109.369 -164.536 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.7 p -123.17 145.81 29.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 1.0 109.297 -167.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -87.03 128.62 35.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 1.0 109.343 173.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.7 mttp -70.29 -21.13 62.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 1.0 109.356 -165.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -87.94 -74.23 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 1.0 109.322 -175.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -92.64 -13.34 29.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 1.0 110.392 -169.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 49.13 44.36 33.44 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.55 1.156 . . . . 1.0 110.963 -171.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -101.6 -3.53 28.23 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.347 -0.983 . . . . 1.0 108.347 179.328 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 71.17 163.68 0.27 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.438 1.086 . . . . 1.0 109.339 170.455 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -110.99 140.82 45.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.428 1.08 . . . . 1.0 110.996 -178.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -91.46 175.15 7.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 1.0 110.334 173.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.9 p -146.27 159.67 43.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 1.0 108.3 165.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 60.0 mt -73.02 -60.19 2.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 1.0 109.352 -158.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.6 mtmm -126.2 137.48 53.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 1.0 109.287 177.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.12 128.96 39.63 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.484 1.115 . . . . 1.0 109.271 173.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.74 -25.69 11.58 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 1.0 111.029 -173.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -75.2 71.41 2.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 1.0 109.276 -177.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -91.54 40.46 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 1.0 109.265 -168.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -105.59 -57.13 2.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 1.0 109.274 -175.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -63.0 -38.27 90.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.414 1.071 . . . . 1.0 111.056 177.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 86.7 m -65.86 -41.35 91.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 1.0 108.264 -174.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.23 -57.84 9.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 1.0 109.373 177.335 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.1 mtm-85 -54.74 -39.44 68.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.399 1.062 . . . . 1.0 110.328 -174.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -63.1 -59.71 4.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 1.0 110.295 -177.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -62.04 -27.29 68.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 1.0 108.229 -176.294 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -65.08 -53.91 38.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 1.0 109.323 178.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -106.93 50.74 0.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 1.0 110.324 -176.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.475 ' HG3' ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -167.08 -33.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 1.0 110.339 168.598 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.475 ' N ' ' HG3' ' A' ' 32' ' ' GLN . 0.1 OUTLIER -119.83 33.36 5.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 1.0 111.046 172.365 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.53 136.73 9.41 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.514 1.134 . . . . 1.0 110.948 163.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.9 mtmm -79.64 69.98 6.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 0.732 . . . . 1.0 109.303 -168.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -169.3 64.7 0.18 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.556 1.16 . . . . 1.0 110.929 165.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -101.09 148.98 24.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 0.763 . . . . 1.0 109.266 -168.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.52 -0.54 10.19 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.507 1.129 . . . . 1.0 110.968 166.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -49.36 164.69 0.43 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.013 -0.835 . . . . 1.0 111.013 -176.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -155.0 -178.42 7.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 0.764 . . . . 1.0 111.001 -173.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 53.4 t -101.26 109.7 21.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 1.0 108.302 -175.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.492 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -83.42 -161.23 0.49 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.09 . . . . 1.0 110.947 167.521 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.36 84.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 1.0 109.353 170.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.492 ' N ' ' O ' ' A' ' 42' ' ' TYR . 28.3 m-85 54.64 38.1 29.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 1.0 110.975 167.158 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -160.98 153.28 20.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 1.0 109.302 166.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 96.8 m -94.19 116.25 28.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 1.0 108.3 -172.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 4.9 t-105 -104.79 124.88 50.2 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.964 -1.125 . . . . 1.0 107.964 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 68.4 m -117.25 146.77 43.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 1.0 108.303 -172.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' A' ' 49' ' ' THR . 1.3 t -154.41 33.6 0.42 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 1.0 110.38 -159.638 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -159.08 32.94 0.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 1.0 109.582 176.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.83 -175.17 2.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 1.0 109.273 172.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -107.48 -177.64 3.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 1.0 111.0 164.028 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.401 ' O ' ' NZ ' ' A' ' 1' ' ' LYS . 11.7 pt-20 -58.56 -24.82 61.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 1.0 110.301 -177.078 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -87.48 32.3 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 1.0 110.29 178.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.52 131.26 43.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.423 1.077 . . . . 1.0 109.319 146.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.6 mp -113.62 126.61 71.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 1.0 109.334 143.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.6 p -83.38 -178.91 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.421 1.076 . . . . 1.0 109.279 -170.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.516 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 73.9 t90 -69.19 154.05 95.36 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 107.994 -1.113 . . . . 1.0 107.994 -163.528 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.516 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.4 Cg_endo -74.96 -166.75 5.09 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 120.97 -2.512 . . . . 1.0 111.038 -18.5 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.85 155.55 82.56 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 1.0 109.305 155.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -56.75 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.381 1.727 . . . . 1.0 110.949 170.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.2 p-10 -106.0 8.5 32.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 1.0 109.332 -157.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -163.26 56.7 0.19 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.455 1.097 . . . . 1.0 109.275 177.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 52.2 ptt85 -65.85 167.74 9.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 1.0 110.285 173.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.58 1.175 . . . . 1.0 108.358 175.306 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 79.2 tttt . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.301 -0.629 . . . . 1.0 109.301 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -98.78 158.37 15.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 1.0 110.324 -164.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 166.31 -161.53 35.19 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.486 1.116 . . . . 1.0 110.968 174.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -77.4 122.85 25.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 0.774 . . . . 1.0 111.015 170.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -60.46 167.37 2.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 1.0 109.283 172.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.9 p -136.64 146.58 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 1.0 109.363 -158.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -75.19 117.93 17.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 1.0 109.258 168.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.5 mmmt -75.92 -11.84 60.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.557 1.161 . . . . 1.0 109.291 -164.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -88.83 -77.9 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 1.0 109.325 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.96 -13.84 35.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.079 . . . . 1.0 110.402 -167.348 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 57.92 45.87 93.15 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.498 1.124 . . . . 1.0 110.992 -175.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m -88.3 154.23 20.57 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.288 -1.005 . . . . 1.0 108.288 163.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -60.38 142.21 55.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 1.0 109.32 -177.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -89.56 115.04 26.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 1.0 110.979 -177.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -96.21 125.84 41.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 1.0 110.396 -167.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -100.62 171.47 7.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 1.0 108.317 176.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.8 mt -80.83 -149.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 1.0 109.31 -173.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.1 ttpt -50.83 127.25 18.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 1.0 109.273 -174.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 pp -61.78 149.54 39.64 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.588 1.18 . . . . 1.0 109.341 -175.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.11 -48.81 1.1 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.531 1.144 . . . . 1.0 111.004 -178.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -71.9 97.96 1.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 0.746 . . . . 1.0 109.314 -169.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -88.74 40.34 0.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 1.0 109.3 -173.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -105.51 -46.11 4.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.459 1.099 . . . . 1.0 109.318 -177.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -72.69 -39.25 67.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 1.0 111.053 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.8 t -55.93 -53.63 54.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 1.0 108.247 175.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.59 -57.79 8.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 1.0 109.302 178.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 -54.12 -47.05 72.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 1.0 110.341 -173.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -63.99 -47.06 81.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.405 1.066 . . . . 1.0 110.267 -171.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -68.39 -27.32 66.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 1.0 108.266 -178.214 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.3 tptt -64.26 -50.09 69.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 1.0 109.306 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -105.7 46.07 0.94 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 1.0 110.336 -172.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -159.86 -40.18 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 1.0 110.31 158.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -105.47 27.11 8.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 1.0 111.011 178.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 109.19 142.56 9.78 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.537 1.148 . . . . 1.0 111.027 155.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -77.06 65.28 2.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 0.753 . . . . 1.0 109.332 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -173.11 32.09 0.11 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.569 1.168 . . . . 1.0 110.99 166.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -105.42 173.49 6.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 0.757 . . . . 1.0 109.339 -166.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -160.49 169.05 36.18 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.441 1.088 . . . . 1.0 110.982 174.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 171.44 -176.91 44.56 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.063 -0.815 . . . . 1.0 111.063 -170.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -156.29 171.09 20.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 0.784 . . . . 1.0 111.039 172.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.2 m -98.59 110.41 23.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 1.0 108.384 -171.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.464 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.7 OUTLIER -82.36 -170.52 2.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 1.0 111.049 162.288 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.85 89.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.093 . . . . 1.0 109.301 177.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.464 ' N ' ' O ' ' A' ' 42' ' ' TYR . 32.7 m-85 52.02 45.84 27.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.434 1.084 . . . . 1.0 111.0 176.007 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -158.99 133.44 7.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 1.0 109.3 176.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.555 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 7.6 t -95.35 102.35 14.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.573 1.171 . . . . 1.0 108.26 -175.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 9.6 t-105 -84.42 117.74 23.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 1.0 107.998 172.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.555 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 69.8 m -110.89 145.98 37.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 1.0 108.274 -178.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.4 t -154.99 64.09 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 1.0 110.436 -154.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -176.23 31.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 1.0 109.618 -169.192 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.3 mt -118.26 168.55 10.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 1.0 109.297 -153.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -109.26 179.88 4.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 1.0 111.048 -177.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -59.06 -30.11 67.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 1.0 110.251 -177.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -92.15 31.47 1.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 1.0 110.292 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.69 122.51 46.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.449 1.093 . . . . 1.0 109.323 157.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 29.2 mt -92.17 150.68 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 1.0 109.303 168.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -120.49 147.31 24.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.554 1.159 . . . . 1.0 109.359 176.28 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.551 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 66.2 t90 -57.08 153.74 23.14 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 1.0 107.997 -169.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.551 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.3 Cg_endo -75.04 -167.43 5.65 Favored 'Cis proline' 0 C--N 1.359 1.115 0 C-N-CA 121.0 -2.5 . . . . 1.0 111.003 -16.196 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.9 156.74 91.25 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 1.0 109.258 152.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -51.43 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.502 1.791 . . . . 1.0 110.976 172.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.6 p-10 -101.39 5.83 42.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 1.0 109.314 -158.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.5 pttp -169.52 67.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 1.0 109.335 174.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.4 ptm85 -68.14 166.5 16.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 1.0 110.267 165.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.42 106.08 1.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 1.0 108.272 175.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.8 p -73.51 86.59 1.57 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.555 1.16 . . . . 1.0 109.987 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.278 -0.638 . . . . 1.0 109.278 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 31.5 mp0 -134.75 129.38 34.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 1.0 110.339 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -161.04 175.59 37.68 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.444 1.09 . . . . 1.0 110.993 -171.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -72.17 146.98 47.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 0.769 . . . . 1.0 110.996 169.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.2 tp -82.49 176.28 9.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.092 . . . . 1.0 109.316 -177.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -155.46 147.63 12.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.464 1.103 . . . . 1.0 109.291 -147.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -98.43 147.26 24.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 1.0 109.279 172.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -89.14 -27.5 20.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 1.0 109.328 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -76.94 -77.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 1.0 109.303 -176.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 70.7 p -84.38 -21.41 30.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 1.0 110.396 -172.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 61.95 28.99 71.26 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.141 . . . . 1.0 111.011 -168.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -117.51 143.61 45.89 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.327 -0.99 . . . . 1.0 108.327 177.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.8 tttm 73.23 89.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 1.0 109.264 142.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -138.13 110.38 7.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 1.0 111.046 166.25 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -167.03 169.15 13.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 1.0 110.266 -153.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -141.99 143.79 33.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 1.0 108.344 -179.21 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 pp -70.74 132.06 44.78 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 1.0 109.264 178.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt 69.61 144.48 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 1.0 109.299 -176.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -95.22 160.42 14.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 1.0 109.346 175.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.96 -52.25 0.77 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.558 1.161 . . . . 1.0 110.978 175.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -72.28 90.88 1.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.781 . . . . 1.0 109.35 -168.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.0 p-10 -84.66 59.74 5.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.163 . . . . 1.0 109.32 -174.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -107.03 -66.41 1.02 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 1.0 109.292 173.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -60.1 -39.68 87.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 1.0 110.966 -176.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 92.6 m -66.87 -36.69 82.88 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 1.0 108.308 -177.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.26 -48.01 81.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 1.0 109.235 175.155 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -61.98 -41.19 97.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 1.0 110.306 -176.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.16 -47.22 85.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 1.0 110.312 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.9 -46.37 74.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 1.0 108.32 176.165 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -81.9 -14.76 55.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 1.0 109.264 -164.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -107.4 56.19 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 1.0 110.252 164.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -177.67 -24.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 1.0 110.304 144.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -107.18 47.04 0.9 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 1.0 110.99 154.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.76 -14.58 10.1 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 1.0 111.015 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.45 68.34 1.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 0.737 . . . . 1.0 109.338 174.376 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.03 27.6 55.86 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.516 1.135 . . . . 1.0 110.887 154.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -106.04 -177.26 3.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 0.767 . . . . 1.0 109.357 -170.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.46 178.33 46.31 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.458 1.099 . . . . 1.0 111.039 -174.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 172.65 178.63 42.88 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.051 -0.82 . . . . 1.0 111.051 -160.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -159.37 179.93 8.52 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.477 0.751 . . . . 1.0 111.062 176.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 56.1 m -99.72 108.45 20.78 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.471 1.107 . . . . 1.0 108.351 -175.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.49 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -83.49 -164.03 0.84 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.572 1.17 . . . . 1.0 110.982 167.017 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.73 86.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 1.0 109.286 176.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.49 ' N ' ' O ' ' A' ' 42' ' ' TYR . 36.8 m-85 51.67 44.04 29.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 1.0 111.013 174.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -161.77 150.04 15.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 1.0 109.257 173.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 68.0 m -102.03 106.14 17.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 1.0 108.32 -169.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 17.2 t-105 -95.38 120.79 36.23 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.016 -1.105 . . . . 1.0 108.016 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 39.4 m -98.33 146.01 26.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 1.0 108.317 175.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.419 ' O ' ' CG ' ' A' ' 50' ' ' HIS . 1.8 t -148.7 34.17 0.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 1.0 110.383 -166.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.419 ' CG ' ' O ' ' A' ' 49' ' ' THR . 87.5 m-70 -155.1 34.3 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 1.0 109.645 171.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.54 176.57 3.99 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.557 1.161 . . . . 1.0 109.346 173.005 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.432 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -108.99 -167.78 1.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 1.0 111.016 166.284 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -49.82 -30.14 9.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 1.0 110.217 177.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -93.73 34.82 1.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 1.0 110.308 -178.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.96 121.56 9.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.387 1.054 . . . . 1.0 109.295 155.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.5 mp -111.43 135.12 51.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 1.0 109.274 157.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -139.03 148.62 23.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 1.0 109.309 -166.245 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.479 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 84.9 t90 -74.44 155.26 87.72 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 107.989 -1.115 . . . . 1.0 107.989 -176.138 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.479 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.2 Cg_endo -75.07 -178.12 22.54 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.997 -2.501 . . . . 1.0 110.995 -23.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.69 156.34 41.08 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 1.0 109.305 176.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -49.54 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.506 1.792 . . . . 1.0 111.03 -171.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.7 p-10 -103.72 4.72 35.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.157 . . . . 1.0 109.293 -162.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.9 ptmt -168.72 64.5 0.06 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.542 1.152 . . . . 1.0 109.311 174.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 50.5 ptt85 -63.87 163.82 11.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 1.0 110.279 166.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 8.5 t -55.08 137.61 46.11 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 1.0 108.297 171.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 96.3 p -62.83 -62.81 1.47 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.598 1.187 . . . . 1.0 110.036 -175.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.429 ' N ' ' OE2' ' A' ' 2' ' ' GLU . 34.3 ttpt . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.306 -0.627 . . . . 1.0 109.306 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.429 ' OE2' ' N ' ' A' ' 1' ' ' LYS . 18.6 mm-40 -90.06 150.12 22.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 1.0 110.306 -160.19 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -178.95 -166.59 35.2 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.472 1.107 . . . . 1.0 111.001 177.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -65.63 166.18 11.15 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.531 0.783 . . . . 1.0 110.992 174.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 mp -84.45 170.14 13.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.583 1.177 . . . . 1.0 109.242 163.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.8 p -154.69 148.5 12.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 1.0 109.28 -172.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -93.66 124.58 37.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 1.0 109.322 170.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.4 mmtp -65.13 -25.84 67.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 1.0 109.315 -168.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -71.94 -78.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 1.0 109.386 -175.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.6 p -95.15 -20.01 19.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 1.0 110.37 -169.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 64.09 40.29 97.98 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.432 1.083 . . . . 1.0 111.025 -163.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -102.92 -169.68 1.69 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.344 -0.984 . . . . 1.0 108.344 169.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.2 mttt 69.76 176.7 0.27 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 1.0 109.306 174.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 48.79 89.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 1.0 111.014 -168.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -158.27 75.0 0.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 1.0 110.273 -169.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.8 t -90.57 90.44 7.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 1.0 108.331 -149.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.2 mt -55.42 140.48 39.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 1.0 109.304 167.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.1 tttt 61.51 77.41 0.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 1.0 109.32 -169.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.7 pp -57.1 150.66 16.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 1.0 109.256 170.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 118.72 -55.98 0.58 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.523 1.139 . . . . 1.0 111.012 -178.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.54 95.9 0.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 0.786 . . . . 1.0 109.299 -164.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -96.09 57.27 1.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 1.0 109.293 -173.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -106.01 -68.78 0.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 1.0 109.312 -176.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -68.5 -27.13 65.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 1.0 110.964 177.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.8 t -57.15 -59.08 5.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 1.0 108.3 171.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.56 -45.17 77.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 1.0 109.292 -175.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.0 mtt85 -58.94 -56.71 18.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 1.0 110.27 -176.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -64.14 -39.93 95.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 1.0 110.289 -174.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 5.8 t -54.22 -53.09 58.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 1.0 108.326 176.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -68.59 -44.49 74.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 1.0 109.241 -168.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -107.43 48.26 0.85 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 1.0 110.267 -175.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.504 ' HG3' ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -167.56 -34.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 1.0 110.29 160.764 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.504 ' N ' ' HG3' ' A' ' 32' ' ' GLN . 0.1 OUTLIER -118.53 38.64 3.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 1.0 111.0 172.658 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 118.63 132.5 4.56 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.524 1.14 . . . . 1.0 110.989 147.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -81.33 63.12 5.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.751 . . . . 1.0 109.27 -166.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 178.61 -42.5 0.08 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.475 1.11 . . . . 1.0 111.011 -174.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.21 163.97 14.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 0.753 . . . . 1.0 109.303 -175.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -134.15 -171.08 12.46 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.441 1.088 . . . . 1.0 111.013 176.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 174.68 172.01 39.36 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.023 -0.831 . . . . 1.0 111.023 -166.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -157.6 167.88 28.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 0.769 . . . . 1.0 110.99 174.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 6.2 m -81.09 99.98 8.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 1.0 108.364 178.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.504 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -81.5 -158.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 1.0 111.017 170.262 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.44 82.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 1.0 109.3 168.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.504 ' N ' ' O ' ' A' ' 42' ' ' TYR . 62.0 m-85 50.43 52.95 13.78 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.173 . . . . 1.0 110.978 166.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -175.32 175.3 2.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.137 . . . . 1.0 109.308 124.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 41.9 t -68.58 101.65 1.32 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 1.0 108.292 -176.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 10.3 t-105 -84.58 116.33 23.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 1.0 107.944 175.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 27.1 m -105.71 142.72 34.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 1.0 108.309 -178.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.8 t -148.69 47.99 1.02 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 1.0 110.418 -156.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -167.32 60.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 1.0 109.558 159.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 29.5 mt -104.92 -179.04 3.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 1.0 109.338 -164.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -107.91 -176.61 3.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 1.0 110.996 178.046 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -58.51 -26.98 64.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.1 . . . . 1.0 110.223 -177.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -90.83 29.37 1.35 Allowed 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.557 1.161 . . . . 1.0 110.29 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.58 114.14 7.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 1.0 109.276 162.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 8.0 mm -108.26 137.34 40.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.484 1.115 . . . . 1.0 109.309 166.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -133.74 145.27 33.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.536 1.147 . . . . 1.0 109.313 -167.19 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.491 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 92.5 t90 -58.7 156.35 24.78 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 1.0 108.027 -172.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.491 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.3 Cg_endo -75.06 -164.71 3.74 Favored 'Cis proline' 0 C--N 1.361 1.203 0 C-N-CA 120.952 -2.52 . . . . 1.0 110.998 -23.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.71 151.59 55.65 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 1.0 109.348 154.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -45.12 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.543 1.812 . . . . 1.0 110.948 -163.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -97.24 3.39 51.4 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 1.0 109.319 -170.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -160.11 113.39 2.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.095 . . . . 1.0 109.368 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.26 144.75 50.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 1.0 110.302 179.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 14.4 t -82.89 147.32 28.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 1.0 108.264 -176.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 86.7 p -66.8 -51.33 56.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 1.0 110.001 177.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.4 tttp . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.334 -0.617 . . . . 1.0 109.334 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -83.83 130.48 34.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.621 1.2 . . . . 1.0 110.279 -161.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -168.92 -174.87 37.88 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.441 1.088 . . . . 1.0 111.033 -177.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -76.95 105.41 8.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.761 . . . . 1.0 111.017 166.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.9 142.07 5.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 1.0 109.267 177.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.9 p -110.23 154.61 11.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.583 1.177 . . . . 1.0 109.287 176.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -89.56 153.61 20.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 1.0 109.296 176.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.4 mttp -89.34 -26.58 21.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 1.0 109.276 -178.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -92.08 -69.98 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 1.0 109.272 -168.262 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 37.8 p -89.34 -13.32 38.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 1.0 110.327 -177.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 82.72 -11.13 54.26 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.443 1.089 . . . . 1.0 111.05 -171.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 32.1 m -101.74 -84.31 0.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.322 -0.992 . . . . 1.0 108.322 -159.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.535 ' O ' ' C ' ' A' ' 14' ' ' TYR . 1.4 ttmt 58.49 -90.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 1.0 109.284 -170.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.535 ' C ' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -21.77 -70.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.564 1.165 . . . . 1.0 110.988 -148.626 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 14' ' ' TYR . 68.9 mm-40 29.02 66.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 1.0 110.292 -171.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.9 t -82.49 133.17 35.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.547 1.154 . . . . 1.0 108.343 166.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 78.6 mt -72.16 -24.38 61.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 1.0 109.279 -165.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -148.47 -169.81 3.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 1.0 109.3 177.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -105.96 147.91 28.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 1.0 109.312 165.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 118.66 -48.17 0.97 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.526 1.141 . . . . 1.0 110.953 174.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -73.28 93.55 1.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.77 . . . . 1.0 109.3 -169.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -94.65 38.86 1.1 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 1.0 109.29 -169.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -105.16 -50.64 3.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 1.0 109.337 -171.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -73.29 -30.0 63.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 1.0 111.025 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 43.1 t -59.11 -54.51 46.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.466 1.104 . . . . 1.0 108.293 175.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.19 -56.12 18.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 1.0 109.3 178.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.8 mtt85 -56.89 -46.51 81.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 1.0 110.354 -172.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -54.05 -61.13 2.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 1.0 110.288 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.2 m -62.79 -27.78 69.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 1.0 108.316 -171.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -66.94 -47.16 72.51 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 1.0 109.319 177.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -92.16 46.92 1.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 1.0 110.312 -177.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -167.99 -39.08 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 1.0 110.301 157.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -118.77 16.34 13.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.498 1.124 . . . . 1.0 110.989 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.58 79.23 0.45 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.547 1.154 . . . . 1.0 110.991 177.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -105.25 -7.1 19.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 1.0 109.299 156.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 159.5 43.71 0.02 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.583 1.177 . . . . 1.0 110.996 178.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -105.18 131.66 52.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 0.729 . . . . 1.0 109.292 -164.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.45 -179.5 18.4 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.562 1.164 . . . . 1.0 111.055 163.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 175.76 175.06 42.85 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 111.036 -0.825 . . . . 1.0 111.036 -175.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -154.24 168.23 27.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 0.783 . . . . 1.0 110.993 172.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 m -90.37 106.67 18.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 1.0 108.339 -178.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.52 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -82.5 -161.64 0.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 1.0 111.008 164.312 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.63 87.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 1.0 109.273 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.52 ' N ' ' O ' ' A' ' 42' ' ' TYR . 30.9 m-85 55.92 34.94 24.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.398 1.061 . . . . 1.0 110.961 168.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -165.7 166.89 17.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.423 1.077 . . . . 1.0 109.349 166.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.43 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 1.5 t -110.2 106.8 16.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 1.0 108.292 -163.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 11.9 t-105 -84.51 120.65 26.57 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.934 -1.136 . . . . 1.0 107.934 172.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.43 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 66.5 m -111.4 144.23 40.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.406 1.066 . . . . 1.0 108.277 178.498 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.404 ' O ' ' CG ' ' A' ' 50' ' ' HIS . 1.1 t -145.19 52.28 1.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 1.0 110.394 -158.403 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.404 ' CG ' ' O ' ' A' ' 49' ' ' THR . 14.6 m-70 -160.79 71.3 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 1.0 109.601 149.289 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 65.2 mt -113.78 158.16 21.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 1.0 109.251 -162.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -108.84 175.53 5.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 1.0 111.001 174.318 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -50.91 -38.77 52.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 1.0 110.31 -178.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -84.35 -2.15 56.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.16 . . . . 1.0 110.33 -167.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.35 116.04 28.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 1.0 109.27 172.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 18.9 mm -98.83 150.55 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 1.0 109.329 -160.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -130.38 153.43 38.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 1.0 109.365 -174.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.51 ' CD1' ' HA ' ' A' ' 59' ' ' PRO . 48.6 t90 -52.46 159.78 1.53 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 1.0 107.978 -171.322 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.51 ' HA ' ' CD1' ' A' ' 58' ' ' TRP . 18.2 Cg_endo -75.09 -169.5 7.43 Favored 'Cis proline' 0 C--N 1.361 1.189 0 C-N-CA 120.903 -2.54 . . . . 1.0 111.012 -29.44 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -104.17 162.22 20.53 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 1.0 109.349 152.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 -54.97 0.08 OUTLIER 'Trans proline' 0 C--N 1.358 1.079 0 O-C-N 124.534 1.807 . . . . 1.0 111.025 -164.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -92.64 1.49 57.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 1.0 109.323 -166.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -164.21 122.44 1.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 1.0 109.35 177.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.26 151.08 50.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.165 . . . . 1.0 110.316 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 11.1 t -55.6 142.97 31.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 1.0 108.291 168.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 71.4 p -68.75 -41.54 78.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 1.0 110.02 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.338 -0.616 . . . . 1.0 109.338 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -80.63 113.27 18.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 1.0 110.272 -154.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 174.4 -176.3 46.74 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.439 1.087 . . . . 1.0 110.993 -169.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -74.24 95.6 2.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 0.756 . . . . 1.0 111.012 -177.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -47.37 139.51 6.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 1.0 109.356 -178.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.3 p -107.63 148.25 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 1.0 109.224 -177.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -84.3 133.18 34.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 1.0 109.261 -168.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -72.92 -25.15 60.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.568 1.167 . . . . 1.0 109.242 -173.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -76.29 -83.07 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 1.0 109.282 177.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 67.2 p -93.53 -12.33 29.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 1.0 110.367 -164.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.83 -1.62 85.8 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.128 . . . . 1.0 111.004 -169.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.461 ' O ' ' C ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -104.33 -82.35 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.254 -1.017 . . . . 1.0 108.254 -176.487 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.531 ' O ' ' N ' ' A' ' 15' ' ' GLU . 68.3 tttt 19.13 -100.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 1.0 109.332 -154.114 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER 21.12 -73.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 1.0 110.993 -130.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 13' ' ' LYS . 11.1 tp10 42.14 86.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.553 1.158 . . . . 1.0 110.312 -167.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.953 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 24.4 p -133.62 81.65 1.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.1 . . . . 1.0 108.345 153.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 pp -51.81 147.86 6.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 1.0 109.251 170.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.2 ttpp 62.57 96.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 1.0 109.295 -174.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.65 160.79 1.22 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.606 1.191 . . . . 1.0 109.248 173.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.41 -42.72 1.89 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.569 1.168 . . . . 1.0 110.961 178.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -92.31 105.7 17.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 0.785 . . . . 1.0 109.279 -166.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -132.58 91.56 2.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 1.0 109.336 173.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -105.28 -52.09 2.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 1.0 109.291 150.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -68.2 -24.23 64.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 1.0 110.978 -171.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.2 m -80.17 -41.3 25.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 1.0 108.283 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.94 -46.88 64.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 1.0 109.315 168.201 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.2 mmm-85 -66.37 -41.57 89.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 1.0 110.261 -178.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -57.87 -54.56 45.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 1.0 110.332 -178.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.97 -39.11 68.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 1.0 108.276 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.7 tttt -65.45 -47.88 74.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 1.0 109.323 -175.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -106.71 45.73 0.96 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.094 . . . . 1.0 110.313 -175.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.408 ' HG3' ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -165.09 -24.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 1.0 110.315 168.335 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.416 ' OH ' ' N ' ' A' ' 56' ' ' ILE . 8.0 m-85 -128.9 66.65 1.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 1.0 110.947 155.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.33 136.74 2.9 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.428 1.08 . . . . 1.0 111.003 150.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -77.03 67.92 3.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.431 0.724 . . . . 1.0 109.303 -175.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -175.68 34.85 0.1 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.564 1.165 . . . . 1.0 110.97 159.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -106.71 179.38 4.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 0.741 . . . . 1.0 109.285 -170.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -169.44 178.68 42.41 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.497 1.123 . . . . 1.0 111.058 -178.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 173.29 -172.78 45.41 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.027 -0.829 . . . . 1.0 111.027 -167.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -158.01 167.48 29.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 0.762 . . . . 1.0 110.991 166.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 44.8 t -89.28 105.24 17.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 1.0 108.272 -176.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.541 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -82.69 -161.93 0.53 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.61 1.194 . . . . 1.0 110.99 165.445 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.03 87.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 1.0 109.266 -176.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.541 ' N ' ' O ' ' A' ' 42' ' ' TYR . 5.2 m-85 60.85 26.09 15.97 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.593 1.183 . . . . 1.0 110.972 168.097 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -176.12 157.36 1.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 1.0 109.262 167.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.953 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 91.0 m -111.53 118.21 35.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 1.0 108.274 -149.572 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 4.0 t-105 -84.54 119.84 25.65 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.039 -1.097 . . . . 1.0 108.039 177.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.4 m -90.82 148.15 22.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 1.0 108.279 176.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.4 ' O ' ' CG ' ' A' ' 50' ' ' HIS . 2.6 t -155.1 43.39 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 1.0 110.395 -169.412 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.4 ' CG ' ' O ' ' A' ' 49' ' ' THR . 73.2 m-70 -152.0 67.31 0.86 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 1.0 109.592 161.492 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.4 mt -124.94 172.74 9.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 1.0 109.28 -163.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -107.79 173.39 6.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 1.0 111.069 169.017 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -58.39 -24.42 59.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 1.0 110.291 -172.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -112.86 45.07 1.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 1.0 110.287 -176.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 1' ' ' LYS . . . -107.48 109.47 21.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 1.0 109.339 156.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.416 ' N ' ' OH ' ' A' ' 33' ' ' TYR . 36.7 mm -76.61 143.18 13.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.563 1.164 . . . . 1.0 109.3 -168.295 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -124.2 152.39 29.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 1.0 109.31 -176.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.567 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 87.4 t90 -49.88 151.46 3.24 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 1.0 108.019 -168.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.567 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.2 Cg_endo -75.04 178.82 33.03 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 120.937 -2.526 . . . . 1.0 111.039 -14.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 16.3 mt -67.26 169.92 7.63 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 1.0 109.344 157.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -67.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.501 1.79 . . . . 1.0 111.044 154.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.6 p-10 -98.77 2.03 46.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 1.0 109.304 -141.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.4 pttp -175.51 67.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 1.0 109.295 173.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -77.97 156.84 29.96 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.542 1.151 . . . . 1.0 110.263 177.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 10.9 t -62.44 131.79 50.37 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.474 1.109 . . . . 1.0 108.353 176.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 90.8 p -62.64 -72.75 0.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 1.0 110.006 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.1 tptp . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.256 -0.646 . . . . 1.0 109.256 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.67 -175.22 5.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 1.0 110.345 -155.054 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.613 ' O ' ' CE3' ' A' ' 47' ' ' TRP . . . 156.08 -40.21 0.58 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.421 1.076 . . . . 1.0 111.029 164.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 162.67 96.69 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 0.753 . . . . 1.0 110.984 -167.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.45 144.14 13.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 1.0 109.286 176.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.6 p -122.45 148.91 25.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 1.0 109.335 -166.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -71.08 119.23 14.9 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.468 1.105 . . . . 1.0 109.291 169.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -78.33 -7.86 57.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 1.0 109.299 -160.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -94.6 -76.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 1.0 109.308 179.243 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.39 -18.27 27.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 1.0 110.378 -169.248 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 60.9 38.98 96.28 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.505 1.128 . . . . 1.0 110.999 -170.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -101.4 -175.77 2.95 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.27 -1.011 . . . . 1.0 108.27 -177.152 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.9 ptmm? -56.59 154.95 8.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 1.0 109.302 175.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -126.49 -43.51 1.75 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 1.0 111.023 171.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 66.34 86.06 0.14 Allowed 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.424 1.078 . . . . 1.0 110.323 156.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.7 p -73.76 -25.58 60.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.398 1.061 . . . . 1.0 108.331 -175.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.0 mt 62.7 160.97 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 1.0 109.302 -172.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.1 tttm 56.28 74.17 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 1.0 109.311 171.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 pp -57.0 143.42 38.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 1.0 109.305 -175.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.73 -45.52 1.31 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.528 1.142 . . . . 1.0 111.019 -175.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -71.69 88.82 0.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 0.782 . . . . 1.0 109.288 -169.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -90.24 60.14 4.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 1.0 109.297 -174.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -105.38 -68.12 0.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 1.0 109.299 177.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -68.26 -27.53 66.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 1.0 110.997 -172.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 87.0 m -66.78 -42.49 85.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.399 1.062 . . . . 1.0 108.312 174.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.37 -42.77 92.4 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.502 1.126 . . . . 1.0 109.282 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 -59.06 -47.61 84.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 1.0 110.317 -178.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -60.89 -54.56 43.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 1.0 110.252 177.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -53.11 -36.19 60.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 1.0 108.235 -177.506 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.25 -60.54 3.59 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.484 1.115 . . . . 1.0 109.282 -178.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -91.67 45.11 1.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 1.0 110.333 -169.687 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -159.6 -41.94 0.05 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 1.0 110.294 149.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -101.38 -5.32 25.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 1.0 110.967 -174.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.07 78.91 0.77 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.484 1.115 . . . . 1.0 110.954 -169.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -107.23 49.71 0.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 0.728 . . . . 1.0 109.373 158.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.38 12.45 63.03 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 1.0 110.971 -172.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.36 176.32 9.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 0.734 . . . . 1.0 109.29 -178.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -155.53 171.24 33.57 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.472 1.108 . . . . 1.0 111.032 -177.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.42 160.52 24.31 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.056 -0.817 . . . . 1.0 111.056 -172.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.1 p90 -149.78 179.1 8.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.506 0.768 . . . . 1.0 111.024 -171.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 45.3 t -102.15 107.69 18.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 1.0 108.307 -174.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.497 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -82.45 -161.54 0.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 1.0 111.035 171.125 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.72 85.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 1.0 109.272 174.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.497 ' N ' ' O ' ' A' ' 42' ' ' TYR . 5.3 m-85 55.77 37.73 29.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 1.0 111.036 171.244 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -166.33 151.66 8.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 1.0 109.275 175.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 95.0 m -87.38 144.63 26.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 1.0 108.343 -176.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.613 ' CE3' ' O ' ' A' ' 3' ' ' GLY . 1.5 t-105 -128.87 127.42 41.8 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.014 -1.106 . . . . 1.0 108.014 167.539 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.9 m -106.5 134.76 49.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 1.0 108.291 177.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' A' ' 49' ' ' THR . 1.1 t -131.06 30.48 4.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 1.0 110.389 -153.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -174.63 42.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 1.0 109.58 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.413 ' CD1' ' N ' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -82.32 176.28 9.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 1.0 109.324 164.663 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.49 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -107.82 -166.19 1.12 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.543 1.152 . . . . 1.0 111.005 -170.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -43.6 -30.7 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 1.0 110.308 175.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -100.14 38.26 1.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 1.0 110.3 -177.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.41 101.67 0.78 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 1.0 109.332 164.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 22.3 mm -88.56 117.98 33.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.447 1.092 . . . . 1.0 109.257 165.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -117.89 146.22 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 1.0 109.294 -175.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.526 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 42.5 t90 -59.03 152.47 50.54 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.492 1.12 . . . . 1.0 108.072 -166.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.526 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.1 Cg_endo -75.0 -162.46 2.79 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 120.973 -2.511 . . . . 1.0 110.986 -14.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.21 147.57 83.11 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 1.0 109.259 154.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -58.85 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.799 . . . . 1.0 111.027 -157.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -111.16 23.9 13.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.565 1.165 . . . . 1.0 109.271 -172.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.66 58.3 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 1.0 109.284 166.224 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.81 160.3 20.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 1.0 110.268 174.033 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 11.9 t -66.74 147.17 53.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 1.0 108.242 -172.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 96.2 p -59.27 -68.09 0.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 1.0 109.972 177.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.5 pttt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.292 -0.633 . . . . 1.0 109.292 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -115.4 -173.68 2.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 1.0 110.321 -176.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 153.03 -167.29 31.7 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.48 1.112 . . . . 1.0 110.952 158.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -66.62 102.4 0.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 0.795 . . . . 1.0 110.95 171.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.457 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 1.0 OUTLIER -44.11 139.46 2.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 1.0 109.306 168.064 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.4 p -111.54 143.3 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 1.0 109.35 -176.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.85 134.94 47.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 1.0 109.296 -173.259 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.45 6.9 46.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 1.0 109.274 -160.325 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -100.63 -72.34 0.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 1.0 109.273 169.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.72 -17.6 14.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.113 . . . . 1.0 110.373 -169.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.8 35.28 89.43 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.524 1.14 . . . . 1.0 110.972 -171.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.86 95.3 5.7 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.255 -1.017 . . . . 1.0 108.255 -175.259 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.6 tttt 77.77 148.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 1.0 109.317 162.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.457 ' CE2' ' HB3' ' A' ' 5' ' ' LEU . 22.4 t80 -154.42 68.35 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 1.0 110.957 174.187 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -126.96 159.46 33.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.135 . . . . 1.0 110.312 -163.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.5 m -108.42 171.29 7.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 1.0 108.304 -173.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 67.8 mt -77.53 -50.75 11.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 1.0 109.366 176.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -130.7 171.08 13.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 1.0 109.235 171.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.7 pp -84.98 145.15 27.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 1.0 109.295 174.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.99 -7.31 73.24 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.536 1.148 . . . . 1.0 111.004 -177.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -79.58 56.43 2.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 0.729 . . . . 1.0 109.277 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 22.2 p-10 -89.66 46.02 1.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 1.0 109.327 -157.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.38 -60.7 1.62 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 1.0 109.311 175.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -59.54 -36.27 75.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 1.0 110.982 -178.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 60.3 m -63.84 -51.73 63.32 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.566 1.167 . . . . 1.0 108.248 -179.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.33 -49.78 75.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 1.0 109.311 178.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.1 mtm180 -66.2 -44.63 83.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 1.0 110.295 -165.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -65.32 -40.33 93.58 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.552 1.158 . . . . 1.0 110.317 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -59.19 -36.61 75.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 1.0 108.323 172.016 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -77.64 -20.06 54.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 1.0 109.304 -172.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -100.53 44.57 1.01 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 1.0 110.319 174.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -174.98 -25.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.443 1.09 . . . . 1.0 110.294 153.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -111.26 45.42 1.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 1.0 111.023 158.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -46.74 -25.67 2.36 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.415 1.072 . . . . 1.0 110.941 172.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -73.57 67.82 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 1.0 109.316 175.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.9 67.47 1.48 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.503 1.127 . . . . 1.0 110.991 165.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -107.13 138.68 42.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.76 . . . . 1.0 109.273 169.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -134.03 -1.38 3.67 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.446 1.091 . . . . 1.0 110.975 -174.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.05 -171.88 3.1 Favored Glycine 0 CA--C 1.531 1.08 0 N-CA-C 110.964 -0.855 . . . . 1.0 110.964 -173.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -169.72 179.3 3.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 0.788 . . . . 1.0 110.98 -154.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 56.3 m -97.09 107.7 20.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.167 . . . . 1.0 108.276 -178.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.491 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -82.91 -164.48 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 1.0 110.985 169.615 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.24 88.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 1.0 109.279 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.491 ' N ' ' O ' ' A' ' 42' ' ' TYR . 37.2 m-85 53.44 40.4 31.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 1.0 111.004 172.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -161.85 145.42 12.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 1.0 109.323 166.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 86.2 m -88.5 130.13 35.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 1.0 108.325 175.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 2.9 t-105 -129.62 132.28 46.7 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.949 -1.13 . . . . 1.0 107.949 -178.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 66.9 m -103.74 143.5 32.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 1.0 108.278 -179.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 t -155.31 60.77 0.63 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 1.0 110.39 -162.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -175.05 38.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 1.0 109.639 -175.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.7 mt -113.98 170.09 8.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 1.0 109.307 -158.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -108.66 -173.87 2.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 1.0 111.032 174.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -58.86 -22.58 59.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 1.0 110.326 -175.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -92.35 33.95 1.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 1.0 110.299 175.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.83 127.64 32.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 1.0 109.291 159.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.6 mm -114.07 122.07 67.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 1.0 109.268 170.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -134.36 149.24 29.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 1.0 109.376 -169.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.515 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 73.3 t90 -60.1 152.16 62.88 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.573 1.171 . . . . 1.0 107.982 -166.14 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.515 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.0 Cg_endo -75.05 -177.26 20.01 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.037 -2.485 . . . . 1.0 110.958 -16.078 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 mt -75.03 150.75 85.94 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 1.0 109.292 166.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -34.55 3.83 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.475 1.776 . . . . 1.0 111.012 -155.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.407 ' OD1' ' NZ ' ' A' ' 63' ' ' LYS . 3.0 p30 -148.65 49.58 1.01 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.556 1.16 . . . . 1.0 109.274 172.207 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.407 ' NZ ' ' OD1' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -172.42 59.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 1.0 109.348 167.742 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.0 ptt-85 -66.91 171.68 5.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 1.0 110.306 173.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 5.8 t -65.37 143.52 57.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 1.0 108.259 167.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 98.1 p -54.98 -67.03 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 1.0 110.023 -174.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.338 -0.616 . . . . 1.0 109.338 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -126.49 152.68 46.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 1.0 110.334 169.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 166.96 -166.19 39.0 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.573 1.17 . . . . 1.0 111.006 -171.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -77.69 126.56 31.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 0.793 . . . . 1.0 111.042 -175.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -63.01 162.44 11.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 1.0 109.315 -175.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -137.33 144.68 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 1.0 109.319 -169.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -78.25 129.31 34.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 1.0 109.313 173.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.52 -21.91 61.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 1.0 109.238 -174.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -79.2 -80.64 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 1.0 109.287 -178.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 73.6 p -84.18 -21.87 31.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 1.0 110.411 -168.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 51.49 40.22 46.47 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.501 1.126 . . . . 1.0 111.049 -166.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -93.72 157.34 16.21 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.249 -1.019 . . . . 1.0 108.249 177.139 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -58.69 132.28 53.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 1.0 109.33 -167.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -125.89 125.42 42.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 1.0 111.019 -176.227 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -154.93 172.2 18.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 1.0 110.367 -157.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.1 t -82.13 -46.73 13.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 1.0 108.267 -168.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 24.7 mt 59.21 122.41 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 1.0 109.316 -143.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.7 tttm 66.14 101.54 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 1.0 109.344 -175.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.38 167.2 7.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.583 1.177 . . . . 1.0 109.356 175.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.82 -58.05 0.64 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.108 . . . . 1.0 110.941 173.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -73.83 93.97 2.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.529 0.782 . . . . 1.0 109.337 -165.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -84.18 50.68 1.9 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 1.0 109.278 -173.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -106.63 -56.62 2.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.555 1.159 . . . . 1.0 109.25 -175.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -74.39 -30.98 62.18 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.488 1.118 . . . . 1.0 110.98 -179.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 81.7 m -59.76 -45.36 92.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 1.0 108.279 174.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.99 -47.8 83.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.388 1.055 . . . . 1.0 109.288 -179.181 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.1 mtt85 -58.42 -51.45 69.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 1.0 110.285 -175.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -67.03 -40.61 87.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 1.0 110.278 -173.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -56.26 -42.71 77.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 1.0 108.289 173.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -65.88 -55.14 18.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 1.0 109.35 -172.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -98.94 47.42 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 1.0 110.332 -175.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.4 ' HG3' ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -167.6 -26.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 1.0 110.313 165.58 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.4 ' N ' ' HG3' ' A' ' 32' ' ' GLN . 1.8 m-85 -122.76 66.84 0.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 1.0 110.981 155.496 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.56 140.08 8.33 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.512 1.133 . . . . 1.0 111.056 145.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -74.05 65.18 1.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.582 0.813 . . . . 1.0 109.297 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -166.83 -54.27 0.03 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.522 1.139 . . . . 1.0 110.997 176.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.07 177.81 3.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 0.76 . . . . 1.0 109.253 -156.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -159.63 -173.95 28.76 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.477 1.11 . . . . 1.0 111.075 -176.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.27 -178.09 48.28 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.079 -0.808 . . . . 1.0 111.079 -154.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -159.1 170.05 22.87 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.528 0.781 . . . . 1.0 111.08 172.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 87.6 m -95.38 105.08 17.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 1.0 108.255 -172.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.485 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -83.64 -170.19 2.94 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.531 1.145 . . . . 1.0 110.983 167.855 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.08 89.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 1.0 109.347 -178.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.485 ' N ' ' O ' ' A' ' 42' ' ' TYR . 45.9 m-85 49.8 47.26 23.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 1.0 110.999 177.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -162.47 145.13 11.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 1.0 109.282 164.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 35.0 m -99.81 104.38 16.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 1.0 108.342 -173.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 4.2 t-105 -87.7 121.73 30.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 1.0 108.003 -177.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.95 143.98 26.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 1.0 108.299 169.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.413 ' O ' ' CG ' ' A' ' 50' ' ' HIS . 2.1 t -144.52 36.92 1.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 1.0 110.451 -170.161 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.413 ' CG ' ' O ' ' A' ' 49' ' ' THR . 99.4 m-70 -151.22 61.94 0.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 1.0 109.623 168.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 23.0 mt -114.37 167.17 10.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 1.0 109.307 -167.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -108.45 -179.72 3.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 1.0 110.945 163.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -62.4 -23.54 66.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 1.0 110.3 -175.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -93.94 34.63 1.21 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.508 1.13 . . . . 1.0 110.331 177.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.06 123.29 47.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 1.0 109.271 150.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 53.4 mt -86.07 151.48 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.163 . . . . 1.0 109.257 165.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -122.02 143.27 35.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.414 1.072 . . . . 1.0 109.332 176.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.528 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 46.9 t90 -54.27 151.23 13.88 Favored Pre-proline 0 C--N 1.326 -0.446 0 N-CA-C 107.971 -1.122 . . . . 1.0 107.971 -159.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.528 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.2 Cg_endo -75.01 -160.81 2.3 Favored 'Cis proline' 0 C--N 1.361 1.187 0 C-N-CA 120.953 -2.52 . . . . 1.0 110.979 -13.056 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.5 156.72 91.5 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.486 1.116 . . . . 1.0 109.303 151.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -55.54 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.528 1.804 . . . . 1.0 111.014 167.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -102.55 7.64 40.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 1.0 109.288 -156.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -163.69 57.26 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 1.0 109.296 175.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.6 ptt85 -64.98 166.62 8.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 1.0 110.31 173.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.1 t -68.14 154.93 40.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 1.0 108.228 -175.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 78.5 p -71.93 86.49 1.0 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 1.0 109.991 177.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 19.4 ttpt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.341 -0.614 . . . . 1.0 109.341 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -93.93 158.11 15.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 1.0 110.256 -158.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 171.53 -167.67 40.76 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.465 1.103 . . . . 1.0 111.029 -178.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -77.62 105.64 8.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 0.747 . . . . 1.0 110.957 176.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -52.45 145.39 11.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 1.0 109.319 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.2 p -109.81 154.78 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.588 1.18 . . . . 1.0 109.267 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -86.06 157.84 19.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 1.0 109.325 179.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -105.05 -31.87 8.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 1.0 109.327 171.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.2 -66.96 0.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 1.0 109.316 -170.48 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 28.3 p -84.82 -28.59 26.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 1.0 110.376 174.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.47 19.67 73.43 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 1.0 110.993 -174.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -104.23 168.58 9.01 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.262 -1.014 . . . . 1.0 108.262 -169.11 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.8 tttt -60.47 136.24 57.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.401 1.063 . . . . 1.0 109.274 167.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -57.12 -46.98 82.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.158 . . . . 1.0 111.001 178.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 62.46 78.22 0.3 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.153 . . . . 1.0 110.334 -175.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 22.6 t -68.16 157.57 35.08 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 1.0 108.297 -174.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.77 -168.25 0.18 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.451 1.094 . . . . 1.0 109.297 -179.222 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.429 ' NZ ' ' OD1' ' A' ' 21' ' ' ASP . 12.0 tmtt? -39.59 128.14 1.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 1.0 109.337 173.152 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 pp -67.69 158.55 32.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 1.0 109.305 -172.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.97 -41.61 2.14 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.471 1.107 . . . . 1.0 110.982 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.429 ' OD1' ' NZ ' ' A' ' 18' ' ' LYS . 46.6 m-20 -75.57 88.59 2.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.777 . . . . 1.0 109.316 -172.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -94.02 50.86 1.45 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.54 1.15 . . . . 1.0 109.279 -169.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -105.25 -58.12 1.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 1.0 109.315 -177.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -73.46 -30.29 63.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 1.0 111.002 -177.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.9 t -57.02 -55.17 38.12 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.496 1.122 . . . . 1.0 108.324 170.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.76 -49.23 75.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.594 1.184 . . . . 1.0 109.36 -177.339 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.2 mtt85 -55.34 -51.44 66.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 1.0 110.286 -175.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -65.11 -47.7 76.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 1.0 110.325 -173.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.0 t -54.55 -43.11 71.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 1.0 108.231 178.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.6 ttmt -67.2 -53.39 30.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 1.0 109.336 -174.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -99.88 49.15 0.92 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 1.0 110.271 -176.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.458 ' HG3' ' N ' ' A' ' 33' ' ' TYR . 0.1 OUTLIER -165.4 -32.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 1.0 110.272 164.83 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.458 ' N ' ' HG3' ' A' ' 32' ' ' GLN . 0.1 OUTLIER -119.09 38.62 3.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 1.0 111.017 171.536 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.62 136.62 8.6 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.604 1.19 . . . . 1.0 110.976 156.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -78.3 64.6 3.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 0.774 . . . . 1.0 109.252 -169.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -178.31 -39.52 0.06 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.501 1.125 . . . . 1.0 110.967 -177.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.2 171.44 1.33 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 0.802 . . . . 1.0 109.328 178.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -159.88 -168.75 22.29 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.493 1.121 . . . . 1.0 111.015 -176.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 170.21 -175.02 44.3 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.966 -0.854 . . . . 1.0 110.966 -165.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -159.93 167.66 27.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 0.756 . . . . 1.0 110.907 171.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 16.7 t -89.06 101.89 14.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 1.0 108.33 -171.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.537 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -82.92 -165.16 1.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 1.0 111.01 172.499 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.23 85.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 1.0 109.273 -179.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.537 ' N ' ' O ' ' A' ' 42' ' ' TYR . 47.1 m-85 45.64 47.24 11.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 1.0 111.05 -179.15 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -160.52 139.1 10.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 1.0 109.251 168.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 15.0 t -90.42 102.01 14.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 1.0 108.287 -173.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 12.9 t-105 -84.73 114.87 22.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 1.0 107.997 -179.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 29.2 m -96.29 146.16 24.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 1.0 108.299 176.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.418 ' O ' ' CG ' ' A' ' 50' ' ' HIS . 7.7 t -154.81 45.1 0.51 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 1.0 110.383 -161.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.418 ' CG ' ' O ' ' A' ' 49' ' ' THR . 12.3 m-70 -165.24 59.48 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 1.0 109.596 164.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.4 mt -108.11 -177.24 3.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 1.0 109.324 -171.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -107.94 -177.02 3.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 1.0 111.007 167.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -63.37 -20.09 65.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.403 1.064 . . . . 1.0 110.345 -174.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -86.74 17.0 4.23 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 1.0 110.315 178.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.52 133.54 55.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.152 . . . . 1.0 109.245 163.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 8.8 mm -118.43 138.46 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 1.0 109.297 162.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -132.34 145.26 34.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 1.0 109.354 -174.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.532 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 78.1 t90 -60.61 151.59 70.42 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 1.0 107.969 -164.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.532 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.2 Cg_endo -75.04 -179.4 26.56 Favored 'Cis proline' 0 C--N 1.362 1.249 0 C-N-CA 120.998 -2.501 . . . . 1.0 110.992 -15.425 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.92 147.73 97.85 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 1.0 109.268 173.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -35.12 3.29 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.46 1.769 . . . . 1.0 111.032 -147.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -144.71 56.17 1.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 1.0 109.301 171.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.99 162.34 7.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 1.0 109.331 169.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -117.46 165.8 13.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 1.0 110.284 -167.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 48.5 t -54.76 131.74 44.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 1.0 108.252 174.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 87.8 p -58.95 -72.18 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 1.0 109.948 177.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.325 -0.62 . . . . 1.0 109.325 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -84.06 167.47 16.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.571 1.169 . . . . 1.0 110.287 -158.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 159.47 -158.75 29.88 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.53 1.144 . . . . 1.0 111.034 177.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -78.38 122.51 25.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.773 . . . . 1.0 111.052 -177.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.82 160.71 5.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.145 . . . . 1.0 109.326 -169.166 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.1 p -130.8 150.41 34.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 1.0 109.279 175.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -79.11 148.53 32.35 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.547 1.154 . . . . 1.0 109.327 171.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.6 mmtp -92.19 -16.05 26.76 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.561 1.163 . . . . 1.0 109.331 -172.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -98.5 -73.09 0.63 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.458 1.099 . . . . 1.0 109.281 -174.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -84.42 -12.99 53.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 1.0 110.392 -174.395 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 56.78 33.91 64.05 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.594 1.183 . . . . 1.0 111.034 178.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.12 143.12 33.73 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.225 -1.028 . . . . 1.0 108.225 179.173 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.43 ' NZ ' ' OE1' ' A' ' 15' ' ' GLU . 20.7 pttp -65.46 162.11 18.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 1.0 109.281 176.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -101.47 -36.36 8.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.592 1.183 . . . . 1.0 110.961 -175.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.43 ' OE1' ' NZ ' ' A' ' 13' ' ' LYS . 34.4 tt0 63.16 87.71 0.1 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.458 1.099 . . . . 1.0 110.216 170.386 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.4 t -75.41 88.64 2.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 1.0 108.346 176.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.1 pp -50.76 145.49 6.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 1.0 109.295 167.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.5 tttp 61.95 89.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 1.0 109.318 -170.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.1 pp -61.55 159.51 12.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 1.0 109.294 172.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.89 -59.85 0.65 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 1.0 110.986 176.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -69.9 93.63 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.421 0.718 . . . . 1.0 109.297 -166.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.7 p-10 -85.67 62.38 7.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 1.0 109.28 -175.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -105.87 -66.05 1.02 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 1.0 109.319 172.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -62.32 -37.38 85.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 1.0 111.023 -176.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 44.9 t -54.65 -57.8 10.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 1.0 108.307 172.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.37 -40.32 74.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 1.0 109.278 -172.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.69 -58.7 5.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.388 1.055 . . . . 1.0 110.305 -178.018 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.99 -39.88 75.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 1.0 110.313 -174.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.7 t -58.07 -47.16 84.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 1.0 108.322 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.4 -35.3 68.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 1.0 109.295 -173.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -107.6 36.18 2.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 1.0 110.255 -170.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.487 ' HG3' ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -162.63 -35.67 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.578 1.174 . . . . 1.0 110.278 170.351 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.487 ' N ' ' HG3' ' A' ' 32' ' ' GLN . 0.1 OUTLIER -108.82 26.7 10.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.564 1.165 . . . . 1.0 110.961 174.913 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 108.62 142.84 10.13 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.508 1.13 . . . . 1.0 111.025 160.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -73.56 66.57 1.03 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 1.0 109.271 -176.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -165.9 -51.75 0.02 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.466 1.104 . . . . 1.0 110.935 177.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.52 174.88 2.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.599 0.823 . . . . 1.0 109.267 -162.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.05 -168.89 15.11 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.537 1.148 . . . . 1.0 110.982 177.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 173.62 179.51 44.32 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.0 -0.84 . . . . 1.0 111.0 -161.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -157.56 166.55 32.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 0.768 . . . . 1.0 111.004 171.411 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 96.1 m -87.32 104.19 16.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.416 1.072 . . . . 1.0 108.3 -175.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.489 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.2 OUTLIER -83.82 -172.85 4.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.399 1.062 . . . . 1.0 110.995 162.022 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.69 90.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 1.0 109.249 -172.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.489 ' N ' ' O ' ' A' ' 42' ' ' TYR . 25.9 m-85 54.02 40.66 31.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 1.0 110.983 174.479 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -162.5 135.91 6.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 1.0 109.304 167.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.2 t -85.09 109.77 18.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 1.0 108.375 -177.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 2.9 t-105 -86.06 122.12 29.63 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.952 -1.129 . . . . 1.0 107.952 175.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 23.0 m -99.27 139.16 35.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 1.0 108.285 174.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.3 t -143.74 46.05 1.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 1.0 110.437 -165.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 63.1 t60 -162.74 61.44 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 1.0 109.669 164.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 14.4 mt -108.65 174.56 5.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.407 1.067 . . . . 1.0 109.285 -170.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -106.84 -175.67 2.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.584 1.178 . . . . 1.0 110.962 177.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -56.42 -19.75 16.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 1.076 . . . . 1.0 110.277 -174.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.17 32.03 1.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 1.0 110.324 176.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -79.25 102.23 8.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 1.0 109.312 166.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 19.5 mm -98.05 146.66 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 1.0 109.328 163.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -133.35 138.49 51.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 1.0 109.331 -174.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.531 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 61.2 t90 -60.77 151.66 71.62 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 1.0 107.958 -155.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.531 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.1 Cg_endo -75.05 -164.25 3.53 Favored 'Cis proline' 0 C--N 1.361 1.196 0 C-N-CA 120.927 -2.531 . . . . 1.0 111.002 -14.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.29 158.73 31.71 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 1.0 109.302 160.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -50.82 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.473 1.775 . . . . 1.0 110.956 -169.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.0 p-10 -103.58 6.36 37.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 1.0 109.262 -160.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -165.05 60.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 1.0 109.323 175.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 50.6 ptt85 -64.03 166.33 7.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 1.0 110.278 170.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.89 144.28 55.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 1.0 108.312 175.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 97.9 p -61.49 -63.61 1.22 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 1.0 110.026 -174.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 48.5 pttt . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.345 -0.613 . . . . 1.0 109.345 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -137.7 141.19 41.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 1.0 110.359 -174.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 177.66 -172.38 45.07 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.516 1.135 . . . . 1.0 110.991 -177.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -75.92 111.65 11.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 0.801 . . . . 1.0 110.967 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.424 ' C ' ' CD2' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -54.66 161.41 1.51 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 1.0 109.297 -176.732 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.6 p -134.76 150.33 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 1.0 109.274 -173.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.25 120.05 26.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 1.0 109.307 171.05 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.0 mttt -72.32 -9.74 58.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 1.0 109.265 -170.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -75.98 -77.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 1.0 109.286 176.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.1 p -100.84 -20.96 15.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.387 1.054 . . . . 1.0 110.455 -165.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 57.25 40.0 91.07 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.485 1.115 . . . . 1.0 111.016 -176.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -102.89 -1.26 29.89 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.297 -1.001 . . . . 1.0 108.297 -173.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 pttt 72.67 159.83 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.167 . . . . 1.0 109.279 170.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -105.44 -52.78 2.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 1.0 110.959 -174.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 68.53 158.31 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 1.0 110.316 -175.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.149 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 1.6 p -141.88 119.56 11.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.573 1.171 . . . . 1.0 108.3 169.566 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -85.05 50.37 1.93 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 1.0 109.359 -166.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -178.84 80.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 1.0 109.315 -164.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.93 152.51 40.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 1.0 109.365 -168.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.2 -53.98 1.83 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.5 1.125 . . . . 1.0 111.05 -173.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -66.04 96.1 0.3 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 0.762 . . . . 1.0 109.287 -168.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -92.44 53.81 2.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 1.0 109.279 -175.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -106.16 -61.68 1.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 1.0 109.316 177.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -70.65 -30.98 67.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 1.0 111.001 -176.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 1.149 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 45.7 m -71.59 -31.82 67.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 1.0 108.237 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.45 -50.82 68.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.137 . . . . 1.0 109.312 169.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.9 mtt-85 -55.02 -46.95 75.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.422 1.076 . . . . 1.0 110.294 -176.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.35 -52.34 65.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 1.0 110.281 179.339 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -54.61 -40.24 68.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.078 . . . . 1.0 108.325 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -77.44 -22.95 50.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 1.0 109.306 -167.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -109.75 57.11 0.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 1.0 110.327 169.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -178.12 -24.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.098 . . . . 1.0 110.288 146.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -108.05 46.23 0.97 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 1.0 110.997 155.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.27 -7.45 25.51 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.489 1.118 . . . . 1.0 110.986 -178.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -73.69 66.46 1.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 0.759 . . . . 1.0 109.279 172.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 64.25 42.02 98.03 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.541 1.151 . . . . 1.0 111.005 162.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -106.69 170.08 8.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 1.0 109.278 176.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -146.08 -175.41 19.09 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.579 1.174 . . . . 1.0 110.983 168.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 178.22 179.6 48.24 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.033 -0.827 . . . . 1.0 111.033 -170.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -159.15 174.98 14.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 0.776 . . . . 1.0 110.931 174.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 14.1 t -96.37 108.52 21.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 1.0 108.338 -174.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -82.97 -173.13 4.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 1.0 111.007 171.209 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.571 ' O ' ' CG ' ' A' ' 44' ' ' PHE . . . -49.83 -40.29 41.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.105 . . . . 1.0 109.278 -158.214 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.571 ' CG ' ' O ' ' A' ' 43' ' ' ALA . 32.8 m-85 -161.18 71.62 0.41 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 1.0 111.071 156.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -175.09 164.85 3.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 1.0 109.27 156.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.462 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 99.0 m -93.84 104.32 16.39 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.464 1.103 . . . . 1.0 108.257 -171.329 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 7.7 t-105 -93.07 120.63 33.57 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.997 -1.112 . . . . 1.0 107.997 -177.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 33.8 m -101.51 144.31 30.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 1.0 108.321 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.0 t -153.1 42.98 0.61 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.464 1.103 . . . . 1.0 110.349 -157.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 16.5 t60 -164.52 56.52 0.14 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.391 1.057 . . . . 1.0 109.628 166.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.6 mt -103.81 179.33 4.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 1.0 109.299 -167.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -108.38 -172.23 2.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 1.0 110.956 174.021 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -54.66 -26.52 33.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 1.0 110.332 -177.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -91.38 31.91 1.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.591 1.182 . . . . 1.0 110.331 179.114 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.54 100.11 0.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 1.0 109.355 163.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.6 mm -100.65 138.46 24.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 1.0 109.292 167.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -138.97 143.93 30.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 1.0 109.367 -169.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.52 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 70.3 t90 -59.46 153.16 51.25 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 1.0 108.019 -159.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.52 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.4 Cg_endo -74.98 -160.36 2.17 Favored 'Cis proline' 0 C--N 1.36 1.138 0 C-N-CA 121.024 -2.49 . . . . 1.0 111.016 -16.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.1 154.98 88.53 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 1.0 109.326 153.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 -52.3 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.495 1.787 . . . . 1.0 110.97 173.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.2 p-10 -107.08 6.99 29.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 1.0 109.3 -159.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -164.89 57.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 1.0 109.302 176.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.7 ptt-85 -65.04 165.12 11.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 1.0 110.27 170.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.9 t -66.93 136.76 55.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 1.0 108.264 -174.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 96.1 p -73.59 -60.32 2.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 1.0 110.03 178.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 58.7 tttp . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.308 -0.627 . . . . 1.0 109.308 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -137.75 156.8 47.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 1.0 110.328 176.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 164.83 -167.68 38.7 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.486 1.116 . . . . 1.0 110.993 155.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -74.77 93.74 2.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.394 0.702 . . . . 1.0 110.969 172.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.53 150.16 3.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 1.0 109.351 -165.059 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.5 p -115.96 152.14 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 1.0 109.276 168.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -87.07 153.12 21.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 1.0 109.342 -172.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.7 mttp -98.92 -4.78 32.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 1.0 109.242 -169.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -111.9 -70.63 0.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 1.0 109.278 -175.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.2 p -94.09 -6.47 45.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 1.0 110.359 -175.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 59.19 25.14 59.63 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.449 1.093 . . . . 1.0 110.994 -178.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.483 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -120.02 -160.02 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.273 -1.01 . . . . 1.0 108.273 -173.215 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.483 ' HB2' ' O ' ' A' ' 12' ' ' CYS . 49.6 mttm 82.24 -138.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 1.0 109.277 -178.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.482 ' CG ' ' C ' ' A' ' 13' ' ' LYS . 2.2 p90 30.88 63.62 0.19 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 1.0 110.982 -162.25 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -152.65 61.11 0.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 1.0 110.208 172.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.5 p -72.14 146.96 47.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 1.0 108.317 -176.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -68.62 128.73 37.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 1.0 109.251 -177.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 mtmp? 67.24 162.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 1.0 109.337 179.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -105.94 148.61 27.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 1.0 109.305 169.193 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.75 -29.86 10.67 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.542 1.151 . . . . 1.0 111.01 177.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.31 80.75 1.85 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 0.749 . . . . 1.0 109.314 -177.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -89.76 39.13 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 1.0 109.33 -168.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -103.74 -48.66 3.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 1.0 109.306 172.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -63.92 -32.88 74.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 1.0 110.947 -177.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.4 t -63.58 -56.76 13.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 1.0 108.312 176.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.3 mt -46.65 -50.21 18.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 1.0 109.314 176.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 52.1 mtt-85 -55.62 -52.31 64.23 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 1.0 110.339 -175.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -63.14 -43.33 98.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 1.0 110.28 -174.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.43 -35.22 71.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 1.0 108.316 177.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -69.52 -32.42 71.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 1.0 109.334 -169.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -105.33 43.54 1.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 1.0 110.306 -177.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -166.08 -38.15 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 1.0 110.331 159.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -121.77 25.37 9.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.589 1.181 . . . . 1.0 110.94 177.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.39 78.98 0.32 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.532 1.145 . . . . 1.0 111.04 176.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -106.71 23.87 13.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 0.764 . . . . 1.0 109.288 162.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.88 24.39 30.16 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.542 1.151 . . . . 1.0 111.007 -168.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.02 170.3 16.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.592 0.819 . . . . 1.0 109.257 178.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.94 176.19 21.07 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.434 1.084 . . . . 1.0 110.974 -178.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -179.41 177.41 48.29 Favored Glycine 0 CA--C 1.531 1.085 0 N-CA-C 110.998 -0.841 . . . . 1.0 110.998 -177.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -153.68 169.36 23.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.581 0.812 . . . . 1.0 110.983 171.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.0 m -93.35 106.03 18.04 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 1.0 108.254 -174.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.497 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -82.97 -162.12 0.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 1.0 111.004 167.539 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.2 85.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 1.0 109.317 177.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.497 ' N ' ' O ' ' A' ' 42' ' ' TYR . 53.2 m-85 50.67 49.56 20.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 1.0 110.973 172.485 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -167.52 167.31 13.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 1.0 109.281 157.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 12.5 t -99.04 108.95 21.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 1.0 108.366 -175.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 10.6 t-105 -85.22 116.76 23.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 1.0 108.034 168.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 13.1 m -103.44 143.65 32.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 1.0 108.276 177.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 t -145.3 49.45 1.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 1.0 110.289 -162.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -170.09 60.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 1.0 109.584 160.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.5 mt -104.68 171.25 7.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 1.0 109.321 -170.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -106.78 -179.5 3.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 1.0 110.993 164.105 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -67.07 -18.51 65.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 1.0 110.292 -173.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -78.4 -2.5 38.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.087 . . . . 1.0 110.228 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -93.44 140.99 28.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 1.0 109.31 171.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.8 mt -118.14 151.85 20.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 1.0 109.308 178.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -126.82 148.55 31.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 1.0 109.293 -177.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.549 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 90.5 t90 -57.94 154.29 29.16 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 1.0 108.058 -157.453 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.549 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.2 Cg_endo -75.02 -175.66 16.49 Favored 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 121.018 -2.493 . . . . 1.0 110.996 -18.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.1 mt -68.88 154.16 95.21 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 1.0 109.277 154.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -32.15 5.54 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.503 1.791 . . . . 1.0 111.019 -159.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -156.66 54.58 0.54 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 1.0 109.25 169.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.03 59.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 1.0 109.288 167.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 28.0 ptt180 -71.7 170.37 13.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 1.0 110.293 173.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 14.5 t -54.3 -53.53 52.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 1.0 108.283 -169.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 25.1 p -67.43 -31.73 72.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 1.0 110.023 -176.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.159 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.348 -0.612 . . . . 1.0 109.348 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -114.03 163.77 14.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 1.0 110.352 -170.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 168.26 -164.24 37.83 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.426 1.079 . . . . 1.0 111.039 161.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -67.69 175.79 2.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.579 0.811 . . . . 1.0 111.076 176.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 mp -106.27 156.32 18.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 1.0 109.317 -178.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.7 p -149.44 140.8 17.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.61 1.194 . . . . 1.0 109.261 -161.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -101.65 172.04 7.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 1.0 109.292 175.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -97.91 -14.93 20.38 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.555 1.16 . . . . 1.0 109.36 175.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -80.41 -77.24 0.2 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 1.0 109.365 -176.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.1 p -98.78 -18.78 17.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 1.0 110.409 -176.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.96 -28.7 11.74 Favored Glycine 0 CA--C 1.528 0.906 0 O-C-N 124.56 1.163 . . . . 1.0 111.023 -168.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -53.7 16.74 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.282 -1.007 . . . . 1.0 108.282 -157.504 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.455 ' HG3' ' CD2' ' A' ' 14' ' ' TYR . 10.2 tptt 72.42 -83.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 1.0 109.27 176.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.455 ' CD2' ' HG3' ' A' ' 13' ' ' LYS . 23.3 m-85 -139.6 144.6 37.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 1.0 110.997 -164.365 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -147.38 84.2 1.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 1.0 110.284 172.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.5 p -59.6 109.15 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 1.0 108.286 179.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.4 mt -80.88 56.73 2.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 1.0 109.358 -172.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 44.2 tptt -174.73 66.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.165 . . . . 1.0 109.342 -169.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 pp -61.99 141.94 57.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 1.0 109.352 -173.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.72 -56.18 0.64 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.475 1.11 . . . . 1.0 110.976 -174.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.63 96.25 1.19 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 0.778 . . . . 1.0 109.293 -168.241 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.9 p-10 -89.81 64.89 6.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 1.0 109.319 -176.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -105.66 -64.47 1.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 1.0 109.266 172.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -70.8 -23.55 62.39 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 1.0 111.078 -170.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 98.8 m -74.76 -37.37 62.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 1.0 108.273 176.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.61 -16.11 59.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 1.0 109.306 -178.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 50.2 mtt85 -79.81 -46.94 16.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 1.0 110.304 166.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -59.87 -56.67 18.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.412 1.07 . . . . 1.0 110.294 -174.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.2 t -52.49 -38.32 59.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 1.0 108.308 -177.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.98 -54.69 12.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 1.0 109.298 -174.148 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -107.61 50.1 0.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 1.0 110.299 -171.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.503 ' HG3' ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -166.99 -34.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 1.0 110.316 160.035 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.503 ' N ' ' HG3' ' A' ' 32' ' ' GLN . 0.2 OUTLIER -112.91 35.5 3.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 1.0 111.066 172.389 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.65 135.81 8.32 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.527 1.142 . . . . 1.0 111.021 156.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -79.74 65.54 4.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 0.767 . . . . 1.0 109.338 -168.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -175.9 -42.92 0.06 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.556 1.16 . . . . 1.0 110.978 -179.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.17 159.85 11.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 0.792 . . . . 1.0 109.24 -179.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -134.97 -173.56 13.13 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 1.0 111.008 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 174.13 -178.5 45.96 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.01 -0.836 . . . . 1.0 111.01 -164.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -161.45 173.86 14.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 0.749 . . . . 1.0 110.988 173.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 40.2 t -96.75 109.37 22.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 1.0 108.286 -172.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.471 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -82.84 -165.8 1.16 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.454 1.096 . . . . 1.0 110.934 168.144 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.28 84.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 1.0 109.299 169.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.471 ' N ' ' O ' ' A' ' 42' ' ' TYR . 8.2 m-85 57.48 41.11 26.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 1.0 110.982 167.29 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -161.64 147.34 13.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 1.0 109.293 161.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 96.8 m -86.55 112.21 21.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 1.0 108.304 -177.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 18.7 t-105 -88.36 119.69 29.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 1.0 108.013 172.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 10.8 m -95.48 153.87 17.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 1.0 108.27 173.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.6 t -155.73 57.52 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 1.0 110.402 -174.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -176.87 61.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 1.0 109.539 157.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.6 mt -98.92 -175.38 3.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 1.0 109.29 -166.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -106.5 -178.77 3.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 1.0 111.036 172.035 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -68.85 -10.22 55.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 1.0 110.323 -169.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -91.84 30.5 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 1.0 110.264 170.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.31 93.19 3.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 1.0 109.324 166.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 25.0 mm -90.02 142.33 13.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 1.0 109.24 155.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -134.95 143.6 36.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 1.0 109.286 -165.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.608 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 57.6 t90 -62.81 152.71 81.8 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 1.0 107.993 178.704 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.608 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.3 Cg_endo -74.94 174.5 52.3 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.021 -2.491 . . . . 1.0 111.016 -12.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.6 mt -62.06 152.32 78.01 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 1.0 109.282 158.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -38.85 1.38 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.515 1.798 . . . . 1.0 110.984 -156.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 37.1 p-10 -134.69 31.65 3.35 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.518 1.136 . . . . 1.0 109.329 -177.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.0 pttm -167.22 58.17 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 1.0 109.299 178.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -64.65 163.58 13.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 1.0 110.285 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 48.5 t -58.9 123.86 17.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 1.0 108.289 171.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 14.2 p -71.05 87.39 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 1.0 109.95 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 45.8 pttt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.324 -0.621 . . . . 1.0 109.324 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -120.48 154.84 34.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 1.0 110.241 -179.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 164.64 -167.39 38.44 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.587 1.18 . . . . 1.0 111.004 161.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -66.06 116.98 7.74 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.447 0.733 . . . . 1.0 111.055 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.08 135.42 25.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 1.0 109.311 168.632 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.3 p -113.16 148.92 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 1.0 109.283 -171.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.23 133.2 37.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 1.0 109.267 170.102 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.2 ttpt -94.03 2.95 55.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 1.0 109.26 -159.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -99.69 -72.68 0.66 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 1.0 109.315 177.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.88 -20.02 19.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 1.0 110.376 -171.57 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 70.5 39.45 68.77 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.571 1.169 . . . . 1.0 111.028 -170.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 21.2 m -81.97 -85.7 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.344 -0.984 . . . . 1.0 108.344 175.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt -176.99 178.99 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 1.0 109.278 -176.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -106.75 -38.16 6.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 1.0 111.006 155.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 66.09 96.67 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 1.0 110.302 169.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 40.1 t -71.91 132.59 44.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 1.0 108.284 -174.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 pp -63.08 101.46 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 1.0 109.299 167.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? 69.52 120.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 1.0 109.297 176.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.94 158.87 15.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.145 . . . . 1.0 109.269 175.04 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.5 -42.37 1.91 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.465 1.103 . . . . 1.0 110.996 172.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -74.72 79.38 2.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 1.0 109.221 -173.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -88.14 49.12 1.74 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 1.0 109.364 -168.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -106.51 -49.62 3.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 1.0 109.269 171.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -64.6 -42.34 95.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.119 . . . . 1.0 110.96 -173.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.909 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 96.7 m -66.89 -43.32 83.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 1.0 108.305 -179.438 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.02 -42.23 89.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 1.0 109.264 176.385 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -66.88 -40.14 87.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 1.0 110.273 -175.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -69.64 -50.73 41.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 1.0 110.236 -173.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -66.04 -21.3 66.38 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.498 1.123 . . . . 1.0 108.25 -177.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -57.0 -55.92 28.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 1.0 109.308 174.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -105.89 41.32 1.42 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 1.0 110.302 -168.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -153.78 -43.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 1.0 110.305 161.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -105.11 14.44 29.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 1.0 111.043 -176.067 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 110.11 139.46 8.31 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.512 1.132 . . . . 1.0 111.05 164.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 66.4 mttt -80.3 68.18 6.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 0.773 . . . . 1.0 109.308 -173.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -166.03 44.12 0.27 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.544 1.153 . . . . 1.0 110.984 168.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -91.11 153.56 19.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.416 0.716 . . . . 1.0 109.297 -164.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.93 -0.45 11.76 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.442 1.089 . . . . 1.0 110.959 171.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -47.56 159.73 0.49 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.974 -0.85 . . . . 1.0 110.974 -176.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -152.27 171.68 17.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 1.0 111.013 -177.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.909 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 47.1 m -89.13 102.4 15.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 1.0 108.286 -172.262 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.499 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -83.29 -167.62 1.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 1.0 111.052 168.098 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.81 88.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 1.0 109.338 -178.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.499 ' N ' ' O ' ' A' ' 42' ' ' TYR . 35.2 m-85 49.57 42.66 23.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 1.0 111.044 177.115 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -162.19 146.04 12.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 1.0 109.315 176.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 93.7 m -94.52 100.98 12.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 1.0 108.257 -175.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 15.6 t-105 -83.75 113.11 20.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 1.0 107.971 174.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 68.1 m -107.23 143.81 34.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.583 1.177 . . . . 1.0 108.268 -178.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.6 t -150.92 36.5 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 1.0 110.388 -160.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -153.5 29.01 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 1.0 109.644 171.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.24 -172.44 0.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 1.0 109.35 176.123 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -106.74 -171.75 1.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 1.0 110.972 170.374 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -53.12 -25.52 13.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 1.0 110.336 -178.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -91.23 32.69 1.01 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 1.0 110.349 178.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.55 100.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 1.0 109.295 164.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 31.1 mm -94.0 131.38 41.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 1.0 109.324 163.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -127.46 145.55 34.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 1.0 109.281 -175.042 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.525 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 75.4 t90 -57.16 153.17 26.49 Favored Pre-proline 0 C--N 1.326 -0.439 0 N-CA-C 108.01 -1.108 . . . . 1.0 108.01 -172.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.525 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.2 Cg_endo -75.06 -174.38 14.04 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 120.981 -2.508 . . . . 1.0 110.966 -16.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.7 152.82 89.19 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 1.0 109.271 154.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -41.61 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.474 1.776 . . . . 1.0 111.045 -156.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -147.42 48.71 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 1.0 109.3 179.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.7 77.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.075 . . . . 1.0 109.273 166.644 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.61 152.23 42.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 1.0 110.351 -156.407 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -106.54 140.5 39.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 1.0 108.318 171.596 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 97.0 p -68.82 -62.72 1.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 1.0 109.925 -178.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.401 ' NZ ' ' O ' ' A' ' 53' ' ' GLU . 58.1 tttt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.292 -0.633 . . . . 1.0 109.292 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -93.67 153.18 18.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 1.0 110.25 -159.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 173.63 -160.33 30.5 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.461 1.1 . . . . 1.0 111.012 165.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -85.86 111.18 19.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 0.748 . . . . 1.0 110.937 177.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.76 164.1 2.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 1.0 109.369 -164.536 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.7 p -123.17 145.81 29.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 1.0 109.297 -167.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -87.03 128.62 35.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 1.0 109.343 173.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.7 mttp -70.29 -21.13 62.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 1.0 109.356 -165.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -87.94 -74.23 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 1.0 109.322 -175.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -92.64 -13.34 29.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 1.0 110.392 -169.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 49.13 44.36 33.44 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.55 1.156 . . . . 1.0 110.963 -171.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -101.6 -3.53 28.23 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.347 -0.983 . . . . 1.0 108.347 179.328 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 71.17 163.68 0.27 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.438 1.086 . . . . 1.0 109.339 170.455 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -110.99 140.82 45.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.428 1.08 . . . . 1.0 110.996 -178.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -91.46 175.15 7.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 1.0 110.334 173.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.9 p -146.27 159.67 43.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 1.0 108.3 165.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 60.0 mt -73.02 -60.19 2.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 1.0 109.352 -158.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.6 mtmm -126.2 137.48 53.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 1.0 109.287 177.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.12 128.96 39.63 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.484 1.115 . . . . 1.0 109.271 173.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.74 -25.69 11.58 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 1.0 111.029 -173.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -75.2 71.41 2.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 1.0 109.276 -177.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -91.54 40.46 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 1.0 109.265 -168.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -105.59 -57.13 2.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 1.0 109.274 -175.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -63.0 -38.27 90.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.414 1.071 . . . . 1.0 111.056 177.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 86.7 m -65.86 -41.35 91.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 1.0 108.264 -174.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.23 -57.84 9.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 1.0 109.373 177.335 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.1 mtm-85 -54.74 -39.44 68.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.399 1.062 . . . . 1.0 110.328 -174.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -63.1 -59.71 4.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 1.0 110.295 -177.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -62.04 -27.29 68.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 1.0 108.229 -176.294 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -65.08 -53.91 38.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 1.0 109.323 178.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -106.93 50.74 0.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 1.0 110.324 -176.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.475 ' HG3' ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -167.08 -33.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 1.0 110.339 168.598 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.475 ' N ' ' HG3' ' A' ' 32' ' ' GLN . 0.1 OUTLIER -119.83 33.36 5.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 1.0 111.046 172.365 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.53 136.73 9.41 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.514 1.134 . . . . 1.0 110.948 163.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.9 mtmm -79.64 69.98 6.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 0.732 . . . . 1.0 109.303 -168.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -169.3 64.7 0.18 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.556 1.16 . . . . 1.0 110.929 165.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -101.09 148.98 24.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 0.763 . . . . 1.0 109.266 -168.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.52 -0.54 10.19 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.507 1.129 . . . . 1.0 110.968 166.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -49.36 164.69 0.43 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.013 -0.835 . . . . 1.0 111.013 -176.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -155.0 -178.42 7.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 0.764 . . . . 1.0 111.001 -173.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 53.4 t -101.26 109.7 21.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 1.0 108.302 -175.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.492 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -83.42 -161.23 0.49 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.09 . . . . 1.0 110.947 167.521 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.36 84.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 1.0 109.353 170.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.492 ' N ' ' O ' ' A' ' 42' ' ' TYR . 28.3 m-85 54.64 38.1 29.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 1.0 110.975 167.158 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -160.98 153.28 20.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 1.0 109.302 166.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 96.8 m -94.19 116.25 28.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 1.0 108.3 -172.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 4.9 t-105 -104.79 124.88 50.2 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.964 -1.125 . . . . 1.0 107.964 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 68.4 m -117.25 146.77 43.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 1.0 108.303 -172.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' A' ' 49' ' ' THR . 1.3 t -154.41 33.6 0.42 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 1.0 110.38 -159.638 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -159.08 32.94 0.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 1.0 109.582 176.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.83 -175.17 2.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 1.0 109.273 172.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -107.48 -177.64 3.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 1.0 111.0 164.028 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.401 ' O ' ' NZ ' ' A' ' 1' ' ' LYS . 11.7 pt-20 -58.56 -24.82 61.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 1.0 110.301 -177.078 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -87.48 32.3 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 1.0 110.29 178.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.52 131.26 43.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.423 1.077 . . . . 1.0 109.319 146.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.6 mp -113.62 126.61 71.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 1.0 109.334 143.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.6 p -83.38 -178.91 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.421 1.076 . . . . 1.0 109.279 -170.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.516 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 73.9 t90 -69.19 154.05 95.36 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 107.994 -1.113 . . . . 1.0 107.994 -163.528 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.516 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.4 Cg_endo -74.96 -166.75 5.09 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 120.97 -2.512 . . . . 1.0 111.038 -18.5 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.85 155.55 82.56 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 1.0 109.305 155.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -56.75 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.381 1.727 . . . . 1.0 110.949 170.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.2 p-10 -106.0 8.5 32.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 1.0 109.332 -157.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -163.26 56.7 0.19 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.455 1.097 . . . . 1.0 109.275 177.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 52.2 ptt85 -65.85 167.74 9.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 1.0 110.285 173.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.9 t -66.58 146.28 54.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.58 1.175 . . . . 1.0 108.358 175.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 98.7 p -61.37 -63.41 1.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.09 . . . . 1.0 109.969 -174.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 79.2 tttt . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.301 -0.629 . . . . 1.0 109.301 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -98.78 158.37 15.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 1.0 110.324 -164.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 166.31 -161.53 35.19 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.486 1.116 . . . . 1.0 110.968 174.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -77.4 122.85 25.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 0.774 . . . . 1.0 111.015 170.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -60.46 167.37 2.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 1.0 109.283 172.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.9 p -136.64 146.58 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 1.0 109.363 -158.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -75.19 117.93 17.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 1.0 109.258 168.06 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.5 mmmt -75.92 -11.84 60.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.557 1.161 . . . . 1.0 109.291 -164.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -88.83 -77.9 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 1.0 109.325 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.96 -13.84 35.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.079 . . . . 1.0 110.402 -167.348 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 57.92 45.87 93.15 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.498 1.124 . . . . 1.0 110.992 -175.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m -88.3 154.23 20.57 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.288 -1.005 . . . . 1.0 108.288 163.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -60.38 142.21 55.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 1.0 109.32 -177.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -89.56 115.04 26.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 1.0 110.979 -177.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -96.21 125.84 41.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 1.0 110.396 -167.062 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -100.62 171.47 7.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 1.0 108.317 176.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.8 mt -80.83 -149.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 1.0 109.31 -173.238 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.1 ttpt -50.83 127.25 18.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 1.0 109.273 -174.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 pp -61.78 149.54 39.64 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.588 1.18 . . . . 1.0 109.341 -175.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.11 -48.81 1.1 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.531 1.144 . . . . 1.0 111.004 -178.133 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -71.9 97.96 1.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 0.746 . . . . 1.0 109.314 -169.682 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -88.74 40.34 0.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 1.0 109.3 -173.564 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -105.51 -46.11 4.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.459 1.099 . . . . 1.0 109.318 -177.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -72.69 -39.25 67.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 1.0 111.053 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.8 t -55.93 -53.63 54.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 1.0 108.247 175.019 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.59 -57.79 8.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 1.0 109.302 178.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 -54.12 -47.05 72.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 1.0 110.341 -173.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -63.99 -47.06 81.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.405 1.066 . . . . 1.0 110.267 -171.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -68.39 -27.32 66.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 1.0 108.266 -178.214 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.3 tptt -64.26 -50.09 69.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 1.0 109.306 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -105.7 46.07 0.94 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 1.0 110.336 -172.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -159.86 -40.18 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 1.0 110.31 158.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -105.47 27.11 8.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 1.0 111.011 178.579 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 109.19 142.56 9.78 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.537 1.148 . . . . 1.0 111.027 155.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -77.06 65.28 2.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 0.753 . . . . 1.0 109.332 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -173.11 32.09 0.11 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.569 1.168 . . . . 1.0 110.99 166.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -105.42 173.49 6.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 0.757 . . . . 1.0 109.339 -166.124 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -160.49 169.05 36.18 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.441 1.088 . . . . 1.0 110.982 174.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.454 ' HA2' HG22 ' A' ' 49' ' ' THR . . . 171.44 -176.91 44.56 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.063 -0.815 . . . . 1.0 111.063 -170.588 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -156.29 171.09 20.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 0.784 . . . . 1.0 111.039 172.039 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.2 m -98.59 110.41 23.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 1.0 108.384 -171.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.464 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.7 OUTLIER -82.36 -170.52 2.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 1.0 111.049 162.288 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.85 89.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.093 . . . . 1.0 109.301 177.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.464 ' N ' ' O ' ' A' ' 42' ' ' TYR . 32.7 m-85 52.02 45.84 27.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.434 1.084 . . . . 1.0 111.0 176.007 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -158.99 133.44 7.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 1.0 109.3 176.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.555 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 7.6 t -95.35 102.35 14.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.573 1.171 . . . . 1.0 108.26 -175.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 9.6 t-105 -84.42 117.74 23.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 1.0 107.998 172.128 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.555 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 69.8 m -110.89 145.98 37.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 1.0 108.274 -178.496 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.454 HG22 ' HA2' ' A' ' 39' ' ' GLY . 4.4 t -154.99 64.09 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 1.0 110.436 -154.053 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -176.23 31.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 1.0 109.618 -169.192 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.3 mt -118.26 168.55 10.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 1.0 109.297 -153.08 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -109.26 179.88 4.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 1.0 111.048 -177.466 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -59.06 -30.11 67.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 1.0 110.251 -177.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -92.15 31.47 1.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 1.0 110.292 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.69 122.51 46.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.449 1.093 . . . . 1.0 109.323 157.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 29.2 mt -92.17 150.68 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 1.0 109.303 168.168 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -120.49 147.31 24.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.554 1.159 . . . . 1.0 109.359 176.28 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.573 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 66.2 t90 -57.08 153.74 23.14 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 1.0 107.997 -169.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.573 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.3 Cg_endo -75.04 -167.43 5.65 Favored 'Cis proline' 0 C--N 1.359 1.115 0 C-N-CA 121.0 -2.5 . . . . 1.0 111.003 -16.196 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.9 156.74 91.25 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 1.0 109.258 152.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -51.43 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.502 1.791 . . . . 1.0 110.976 172.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.6 p-10 -101.39 5.83 42.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 1.0 109.314 -158.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.5 pttp -169.52 67.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 1.0 109.335 174.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.4 ptm85 -68.14 166.5 16.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 1.0 110.267 165.013 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 1.0 108.272 175.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.278 -0.638 . . . . 1.0 109.278 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 31.5 mp0 -134.75 129.38 34.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 1.0 110.339 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -161.04 175.59 37.68 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.444 1.09 . . . . 1.0 110.993 -171.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -72.17 146.98 47.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 0.769 . . . . 1.0 110.996 169.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.574 HD13 ' SG ' ' A' ' 48' ' ' CYS . 1.2 tp -82.49 176.28 9.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.092 . . . . 1.0 109.316 -177.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -155.46 147.63 12.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.464 1.103 . . . . 1.0 109.291 -147.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -98.43 147.26 24.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 1.0 109.279 172.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -89.14 -27.5 20.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 1.0 109.328 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -76.94 -77.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 1.0 109.303 -176.233 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 70.7 p -84.38 -21.41 30.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 1.0 110.396 -172.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 61.95 28.99 71.26 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.141 . . . . 1.0 111.011 -168.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -117.51 143.61 45.89 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.327 -0.99 . . . . 1.0 108.327 177.54 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.8 tttm 73.23 89.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 1.0 109.264 142.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -138.13 110.38 7.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 1.0 111.046 166.25 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -167.03 169.15 13.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 1.0 110.266 -153.288 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -141.99 143.79 33.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 1.0 108.344 -179.21 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 pp -70.74 132.06 44.78 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 1.0 109.264 178.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt 69.61 144.48 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 1.0 109.299 -176.122 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -95.22 160.42 14.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 1.0 109.346 175.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.96 -52.25 0.77 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.558 1.161 . . . . 1.0 110.978 175.198 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -72.28 90.88 1.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.781 . . . . 1.0 109.35 -168.089 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.0 p-10 -84.66 59.74 5.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.163 . . . . 1.0 109.32 -174.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -107.03 -66.41 1.02 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 1.0 109.292 173.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -60.1 -39.68 87.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 1.0 110.966 -176.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 92.6 m -66.87 -36.69 82.88 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 1.0 108.308 -177.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.26 -48.01 81.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 1.0 109.235 175.155 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -61.98 -41.19 97.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 1.0 110.306 -176.2 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.16 -47.22 85.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 1.0 110.312 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.9 -46.37 74.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 1.0 108.32 176.165 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -81.9 -14.76 55.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 1.0 109.264 -164.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -107.4 56.19 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 1.0 110.252 164.3 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -177.67 -24.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 1.0 110.304 144.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.567 ' CE1' HD11 ' A' ' 5' ' ' LEU . 90.8 m-85 -107.18 47.04 0.9 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 1.0 110.99 154.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.76 -14.58 10.1 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 1.0 111.015 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.45 68.34 1.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 0.737 . . . . 1.0 109.338 174.376 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.03 27.6 55.86 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.516 1.135 . . . . 1.0 110.887 154.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 33' ' ' TYR . . . -106.04 -177.26 3.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 0.767 . . . . 1.0 109.357 -170.565 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.46 178.33 46.31 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.458 1.099 . . . . 1.0 111.039 -174.175 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 172.65 178.63 42.88 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.051 -0.82 . . . . 1.0 111.051 -160.243 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -159.37 179.93 8.52 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.477 0.751 . . . . 1.0 111.062 176.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 56.1 m -99.72 108.45 20.78 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.471 1.107 . . . . 1.0 108.351 -175.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.49 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -83.49 -164.03 0.84 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.572 1.17 . . . . 1.0 110.982 167.017 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.73 86.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 1.0 109.286 176.234 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.49 ' N ' ' O ' ' A' ' 42' ' ' TYR . 36.8 m-85 51.67 44.04 29.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 1.0 111.013 174.609 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -161.77 150.04 15.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 1.0 109.257 173.24 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 68.0 m -102.03 106.14 17.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 1.0 108.32 -169.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 17.2 t-105 -95.38 120.79 36.23 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.016 -1.105 . . . . 1.0 108.016 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.574 ' SG ' HD13 ' A' ' 5' ' ' LEU . 39.4 m -98.33 146.01 26.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 1.0 108.317 175.14 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.419 ' O ' ' CG ' ' A' ' 50' ' ' HIS . 1.8 t -148.7 34.17 0.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 1.0 110.383 -166.437 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.419 ' CG ' ' O ' ' A' ' 49' ' ' THR . 87.5 m-70 -155.1 34.3 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 1.0 109.645 171.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.589 ' H ' HD22 ' A' ' 51' ' ' LEU . 0.8 OUTLIER -70.54 176.57 3.99 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.557 1.161 . . . . 1.0 109.346 173.005 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.432 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -108.99 -167.78 1.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 1.0 111.016 166.284 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -49.82 -30.14 9.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 1.0 110.217 177.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -93.73 34.82 1.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 1.0 110.308 -178.729 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.96 121.56 9.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.387 1.054 . . . . 1.0 109.295 155.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.5 mp -111.43 135.12 51.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 1.0 109.274 157.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -139.03 148.62 23.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 1.0 109.309 -166.245 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.501 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 84.9 t90 -74.44 155.26 87.72 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 107.989 -1.115 . . . . 1.0 107.989 -176.138 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.501 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.2 Cg_endo -75.07 -178.12 22.54 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.997 -2.501 . . . . 1.0 110.995 -23.317 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.69 156.34 41.08 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 1.0 109.305 176.173 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -49.54 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.506 1.792 . . . . 1.0 111.03 -171.505 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.7 p-10 -103.72 4.72 35.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.157 . . . . 1.0 109.293 -162.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.9 ptmt -168.72 64.5 0.06 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.542 1.152 . . . . 1.0 109.311 174.496 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 50.5 ptt85 -63.87 163.82 11.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 1.0 110.279 166.142 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 8.5 t . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 1.0 108.297 171.582 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.306 -0.627 . . . . 1.0 109.306 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -90.06 150.12 22.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 1.0 110.306 -160.19 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -178.95 -166.59 35.2 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.472 1.107 . . . . 1.0 111.001 177.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -65.63 166.18 11.15 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.531 0.783 . . . . 1.0 110.992 174.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.435 HD13 ' SG ' ' A' ' 48' ' ' CYS . 3.5 mp -84.45 170.14 13.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.583 1.177 . . . . 1.0 109.242 163.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.8 p -154.69 148.5 12.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 1.0 109.28 -172.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -93.66 124.58 37.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 1.0 109.322 170.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.4 mmtp -65.13 -25.84 67.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 1.0 109.315 -168.048 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -71.94 -78.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 1.0 109.386 -175.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.6 p -95.15 -20.01 19.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 1.0 110.37 -169.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 64.09 40.29 97.98 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.432 1.083 . . . . 1.0 111.025 -163.284 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -102.92 -169.68 1.69 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.344 -0.984 . . . . 1.0 108.344 169.131 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.2 mttt 69.76 176.7 0.27 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 1.0 109.306 174.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 48.79 89.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 1.0 111.014 -168.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -158.27 75.0 0.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 1.0 110.273 -169.316 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.8 t -90.57 90.44 7.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 1.0 108.331 -149.206 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.2 mt -55.42 140.48 39.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 1.0 109.304 167.017 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.1 tttt 61.51 77.41 0.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 1.0 109.32 -169.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.7 pp -57.1 150.66 16.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 1.0 109.256 170.397 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 118.72 -55.98 0.58 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.523 1.139 . . . . 1.0 111.012 -178.381 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.54 95.9 0.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 0.786 . . . . 1.0 109.299 -164.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -96.09 57.27 1.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 1.0 109.293 -173.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -106.01 -68.78 0.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 1.0 109.312 -176.087 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -68.5 -27.13 65.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 1.0 110.964 177.396 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.8 t -57.15 -59.08 5.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 1.0 108.3 171.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.56 -45.17 77.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 1.0 109.292 -175.46 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.0 mtt85 -58.94 -56.71 18.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 1.0 110.27 -176.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -64.14 -39.93 95.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 1.0 110.289 -174.17 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 5.8 t -54.22 -53.09 58.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 1.0 108.326 176.312 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -68.59 -44.49 74.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 1.0 109.241 -168.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -107.43 48.26 0.85 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 1.0 110.267 -175.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.505 ' HG3' ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -167.56 -34.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 1.0 110.29 160.764 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.505 ' N ' ' HG3' ' A' ' 32' ' ' GLN . 0.1 OUTLIER -118.53 38.64 3.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 1.0 111.0 172.658 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 118.63 132.5 4.56 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.524 1.14 . . . . 1.0 110.989 147.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -81.33 63.12 5.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.751 . . . . 1.0 109.27 -166.069 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 178.61 -42.5 0.08 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.475 1.11 . . . . 1.0 111.011 -174.28 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.21 163.97 14.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 0.753 . . . . 1.0 109.303 -175.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -134.15 -171.08 12.46 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.441 1.088 . . . . 1.0 111.013 176.125 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 174.68 172.01 39.36 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.023 -0.831 . . . . 1.0 111.023 -166.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.417 ' CE2' HG21 ' A' ' 49' ' ' THR . 0.6 OUTLIER -157.6 167.88 28.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 0.769 . . . . 1.0 110.99 174.565 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 6.2 m -81.09 99.98 8.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 1.0 108.364 178.383 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.504 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -81.5 -158.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 1.0 111.017 170.262 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.44 82.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 1.0 109.3 168.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.504 ' N ' ' O ' ' A' ' 42' ' ' TYR . 62.0 m-85 50.43 52.95 13.78 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.173 . . . . 1.0 110.978 166.357 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -175.32 175.3 2.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.137 . . . . 1.0 109.308 124.038 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 41.9 t -68.58 101.65 1.32 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 1.0 108.292 -176.13 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 10.3 t-105 -84.58 116.33 23.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 1.0 107.944 175.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.435 ' SG ' HD13 ' A' ' 5' ' ' LEU . 27.1 m -105.71 142.72 34.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 1.0 108.309 -178.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.417 HG21 ' CE2' ' A' ' 40' ' ' TYR . 1.8 t -148.69 47.99 1.02 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 1.0 110.418 -156.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -167.32 60.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 1.0 109.558 159.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 29.5 mt -104.92 -179.04 3.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 1.0 109.338 -164.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -107.91 -176.61 3.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 1.0 110.996 178.046 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -58.51 -26.98 64.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.1 . . . . 1.0 110.223 -177.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -90.83 29.37 1.35 Allowed 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.557 1.161 . . . . 1.0 110.29 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.58 114.14 7.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 1.0 109.276 162.34 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 8.0 mm -108.26 137.34 40.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.484 1.115 . . . . 1.0 109.309 166.315 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -133.74 145.27 33.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.536 1.147 . . . . 1.0 109.313 -167.19 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.522 ' CD1' ' HA ' ' A' ' 59' ' ' PRO . 92.5 t90 -58.7 156.35 24.78 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 1.0 108.027 -172.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.522 ' HA ' ' CD1' ' A' ' 58' ' ' TRP . 18.3 Cg_endo -75.06 -164.71 3.74 Favored 'Cis proline' 0 C--N 1.361 1.203 0 C-N-CA 120.952 -2.52 . . . . 1.0 110.998 -23.328 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.71 151.59 55.65 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 1.0 109.348 154.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -45.12 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.543 1.812 . . . . 1.0 110.948 -163.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -97.24 3.39 51.4 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 1.0 109.319 -170.148 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -160.11 113.39 2.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.095 . . . . 1.0 109.368 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.26 144.75 50.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 1.0 110.302 179.25 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 14.4 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 1.0 108.264 -176.405 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.4 tttp . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.334 -0.617 . . . . 1.0 109.334 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -83.83 130.48 34.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.621 1.2 . . . . 1.0 110.279 -161.431 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -168.92 -174.87 37.88 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.441 1.088 . . . . 1.0 111.033 -177.035 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -76.95 105.41 8.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.761 . . . . 1.0 111.017 166.458 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.9 142.07 5.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 1.0 109.267 177.654 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.9 p -110.23 154.61 11.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.583 1.177 . . . . 1.0 109.287 176.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -89.56 153.61 20.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 1.0 109.296 176.322 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.4 mttp -89.34 -26.58 21.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 1.0 109.276 -178.395 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -92.08 -69.98 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 1.0 109.272 -168.262 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 37.8 p -89.34 -13.32 38.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 1.0 110.327 -177.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 82.72 -11.13 54.26 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.443 1.089 . . . . 1.0 111.05 -171.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 32.1 m -101.74 -84.31 0.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.322 -0.992 . . . . 1.0 108.322 -159.375 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.535 ' O ' ' C ' ' A' ' 14' ' ' TYR . 1.4 ttmt 58.49 -90.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 1.0 109.284 -170.682 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.535 ' C ' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -21.77 -70.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.564 1.165 . . . . 1.0 110.988 -148.626 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 14' ' ' TYR . 68.9 mm-40 29.02 66.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 1.0 110.292 -171.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.9 t -82.49 133.17 35.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.547 1.154 . . . . 1.0 108.343 166.124 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 78.6 mt -72.16 -24.38 61.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 1.0 109.279 -165.435 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -148.47 -169.81 3.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 1.0 109.3 177.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -105.96 147.91 28.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 1.0 109.312 165.479 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 118.66 -48.17 0.97 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.526 1.141 . . . . 1.0 110.953 174.169 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -73.28 93.55 1.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.77 . . . . 1.0 109.3 -169.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -94.65 38.86 1.1 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 1.0 109.29 -169.394 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -105.16 -50.64 3.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 1.0 109.337 -171.574 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -73.29 -30.0 63.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 1.0 111.025 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 43.1 t -59.11 -54.51 46.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.466 1.104 . . . . 1.0 108.293 175.099 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.19 -56.12 18.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 1.0 109.3 178.805 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.8 mtt85 -56.89 -46.51 81.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 1.0 110.354 -172.446 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -54.05 -61.13 2.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 1.0 110.288 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.2 m -62.79 -27.78 69.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 1.0 108.316 -171.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -66.94 -47.16 72.51 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 1.0 109.319 177.207 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -92.16 46.92 1.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 1.0 110.312 -177.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -167.99 -39.08 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 1.0 110.301 157.515 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -118.77 16.34 13.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.498 1.124 . . . . 1.0 110.989 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.58 79.23 0.45 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.547 1.154 . . . . 1.0 110.991 177.523 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -105.25 -7.1 19.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 1.0 109.299 156.17 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 159.5 43.71 0.02 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.583 1.177 . . . . 1.0 110.996 178.193 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -105.18 131.66 52.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 0.729 . . . . 1.0 109.292 -164.009 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.45 -179.5 18.4 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.562 1.164 . . . . 1.0 111.055 163.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 175.76 175.06 42.85 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 111.036 -0.825 . . . . 1.0 111.036 -175.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -154.24 168.23 27.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 0.783 . . . . 1.0 110.993 172.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 m -90.37 106.67 18.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 1.0 108.339 -178.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.52 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -82.5 -161.64 0.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 1.0 111.008 164.312 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.63 87.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 1.0 109.273 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.52 ' N ' ' O ' ' A' ' 42' ' ' TYR . 30.9 m-85 55.92 34.94 24.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.398 1.061 . . . . 1.0 110.961 168.445 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -165.7 166.89 17.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.423 1.077 . . . . 1.0 109.349 166.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.43 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 1.5 t -110.2 106.8 16.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 1.0 108.292 -163.714 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 11.9 t-105 -84.51 120.65 26.57 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.934 -1.136 . . . . 1.0 107.934 172.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.43 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 66.5 m -111.4 144.23 40.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.406 1.066 . . . . 1.0 108.277 178.498 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.404 ' O ' ' CG ' ' A' ' 50' ' ' HIS . 1.1 t -145.19 52.28 1.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 1.0 110.394 -158.403 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.404 ' CG ' ' O ' ' A' ' 49' ' ' THR . 14.6 m-70 -160.79 71.3 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 1.0 109.601 149.289 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 65.2 mt -113.78 158.16 21.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 1.0 109.251 -162.475 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -108.84 175.53 5.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 1.0 111.001 174.318 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -50.91 -38.77 52.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 1.0 110.31 -178.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -84.35 -2.15 56.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.16 . . . . 1.0 110.33 -167.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.35 116.04 28.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 1.0 109.27 172.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 18.9 mm -98.83 150.55 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 1.0 109.329 -160.137 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -130.38 153.43 38.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 1.0 109.365 -174.004 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.564 ' CD1' ' HA ' ' A' ' 59' ' ' PRO . 48.6 t90 -52.46 159.78 1.53 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 1.0 107.978 -171.322 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.564 ' HA ' ' CD1' ' A' ' 58' ' ' TRP . 18.2 Cg_endo -75.09 -169.5 7.43 Favored 'Cis proline' 0 C--N 1.361 1.189 0 C-N-CA 120.903 -2.54 . . . . 1.0 111.012 -29.44 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -104.17 162.22 20.53 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 1.0 109.349 152.452 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 -54.97 0.08 OUTLIER 'Trans proline' 0 C--N 1.358 1.079 0 O-C-N 124.534 1.807 . . . . 1.0 111.025 -164.433 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -92.64 1.49 57.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 1.0 109.323 -166.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -164.21 122.44 1.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 1.0 109.35 177.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.26 151.08 50.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.165 . . . . 1.0 110.316 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 11.1 t . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 1.0 108.291 168.41 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.338 -0.616 . . . . 1.0 109.338 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -80.63 113.27 18.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 1.0 110.272 -154.097 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 174.4 -176.3 46.74 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.439 1.087 . . . . 1.0 110.993 -169.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -74.24 95.6 2.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 0.756 . . . . 1.0 111.012 -177.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -47.37 139.51 6.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 1.0 109.356 -178.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.443 HG21 ' HG ' ' A' ' 60' ' ' LEU . 9.3 p -107.63 148.25 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 1.0 109.224 -177.514 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -84.3 133.18 34.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 1.0 109.261 -168.016 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -72.92 -25.15 60.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.568 1.167 . . . . 1.0 109.242 -173.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.428 ' HB3' HG23 ' A' ' 10' ' ' THR . 5.2 m-20 -76.29 -83.07 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 1.0 109.282 177.533 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.428 HG23 ' HB3' ' A' ' 9' ' ' ASN . 67.2 p -93.53 -12.33 29.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 1.0 110.367 -164.713 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.83 -1.62 85.8 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.128 . . . . 1.0 111.004 -169.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.461 ' O ' ' C ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -104.33 -82.35 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.254 -1.017 . . . . 1.0 108.254 -176.487 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.531 ' O ' ' N ' ' A' ' 15' ' ' GLU . 68.3 tttt 19.13 -100.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 1.0 109.332 -154.114 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER 21.12 -73.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 1.0 110.993 -130.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 13' ' ' LYS . 11.1 tp10 42.14 86.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.553 1.158 . . . . 1.0 110.312 -167.297 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.953 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 24.4 p -133.62 81.65 1.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.1 . . . . 1.0 108.345 153.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 pp -51.81 147.86 6.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 1.0 109.251 170.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.2 ttpp 62.57 96.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 1.0 109.295 -174.217 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.65 160.79 1.22 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.606 1.191 . . . . 1.0 109.248 173.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.41 -42.72 1.89 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.569 1.168 . . . . 1.0 110.961 178.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -92.31 105.7 17.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 0.785 . . . . 1.0 109.279 -166.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -132.58 91.56 2.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 1.0 109.336 173.006 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -105.28 -52.09 2.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 1.0 109.291 150.224 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -68.2 -24.23 64.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 1.0 110.978 -171.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.2 m -80.17 -41.3 25.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 1.0 108.283 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.94 -46.88 64.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 1.0 109.315 168.201 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.2 mmm-85 -66.37 -41.57 89.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 1.0 110.261 -178.201 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -57.87 -54.56 45.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 1.0 110.332 -178.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.97 -39.11 68.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 1.0 108.276 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.7 tttt -65.45 -47.88 74.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 1.0 109.323 -175.275 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -106.71 45.73 0.96 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.094 . . . . 1.0 110.313 -175.151 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.408 ' HG3' ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -165.09 -24.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 1.0 110.315 168.335 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.416 ' OH ' ' N ' ' A' ' 56' ' ' ILE . 8.0 m-85 -128.9 66.65 1.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 1.0 110.947 155.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.33 136.74 2.9 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.428 1.08 . . . . 1.0 111.003 150.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -77.03 67.92 3.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.431 0.724 . . . . 1.0 109.303 -175.439 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -175.68 34.85 0.1 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.564 1.165 . . . . 1.0 110.97 159.387 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -106.71 179.38 4.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 0.741 . . . . 1.0 109.285 -170.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -169.44 178.68 42.41 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.497 1.123 . . . . 1.0 111.058 -178.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.443 ' HA2' HG22 ' A' ' 49' ' ' THR . . . 173.29 -172.78 45.41 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.027 -0.829 . . . . 1.0 111.027 -167.166 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -158.01 167.48 29.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 0.762 . . . . 1.0 110.991 166.029 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 44.8 t -89.28 105.24 17.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 1.0 108.272 -176.318 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.541 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -82.69 -161.93 0.53 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.61 1.194 . . . . 1.0 110.99 165.445 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.03 87.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 1.0 109.266 -176.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.541 ' N ' ' O ' ' A' ' 42' ' ' TYR . 5.2 m-85 60.85 26.09 15.97 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.593 1.183 . . . . 1.0 110.972 168.097 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 44' ' ' PHE . . . -176.12 157.36 1.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 1.0 109.262 167.177 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.953 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 91.0 m -111.53 118.21 35.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 1.0 108.274 -149.572 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 4.0 t-105 -84.54 119.84 25.65 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.039 -1.097 . . . . 1.0 108.039 177.004 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.454 ' CB ' HD11 ' A' ' 51' ' ' LEU . 9.4 m -90.82 148.15 22.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 1.0 108.279 176.248 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.443 HG22 ' HA2' ' A' ' 39' ' ' GLY . 2.6 t -155.1 43.39 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 1.0 110.395 -169.412 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.4 ' CG ' ' O ' ' A' ' 49' ' ' THR . 73.2 m-70 -152.0 67.31 0.86 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 1.0 109.592 161.492 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.454 HD11 ' CB ' ' A' ' 48' ' ' CYS . 84.4 mt -124.94 172.74 9.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 1.0 109.28 -163.236 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -107.79 173.39 6.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 1.0 111.069 169.017 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -58.39 -24.42 59.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 1.0 110.291 -172.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -112.86 45.07 1.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 1.0 110.287 -176.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 1' ' ' LYS . . . -107.48 109.47 21.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 1.0 109.339 156.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.416 ' N ' ' OH ' ' A' ' 33' ' ' TYR . 36.7 mm -76.61 143.18 13.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.563 1.164 . . . . 1.0 109.3 -168.295 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -124.2 152.39 29.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 1.0 109.31 -176.669 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.585 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 87.4 t90 -49.88 151.46 3.24 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 1.0 108.019 -168.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.585 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.2 Cg_endo -75.04 178.82 33.03 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 120.937 -2.526 . . . . 1.0 111.039 -14.766 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.443 ' HG ' HG21 ' A' ' 6' ' ' VAL . 16.3 mt -67.26 169.92 7.63 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 1.0 109.344 157.674 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -67.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.501 1.79 . . . . 1.0 111.044 154.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.6 p-10 -98.77 2.03 46.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 1.0 109.304 -141.573 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.4 pttp -175.51 67.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 1.0 109.295 173.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -77.97 156.84 29.96 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.542 1.151 . . . . 1.0 110.263 177.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 10.9 t . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.474 1.109 . . . . 1.0 108.353 176.28 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.1 tptp . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.256 -0.646 . . . . 1.0 109.256 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.67 -175.22 5.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 1.0 110.345 -155.054 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.613 ' O ' ' CE3' ' A' ' 47' ' ' TRP . . . 156.08 -40.21 0.58 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.421 1.076 . . . . 1.0 111.029 164.49 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 162.67 96.69 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 0.753 . . . . 1.0 110.984 -167.691 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.45 144.14 13.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 1.0 109.286 176.504 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.6 p -122.45 148.91 25.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 1.0 109.335 -166.471 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -71.08 119.23 14.9 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.468 1.105 . . . . 1.0 109.291 169.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -78.33 -7.86 57.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 1.0 109.299 -160.026 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -94.6 -76.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 1.0 109.308 179.243 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.39 -18.27 27.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 1.0 110.378 -169.248 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 60.9 38.98 96.28 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.505 1.128 . . . . 1.0 110.999 -170.181 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -101.4 -175.77 2.95 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.27 -1.011 . . . . 1.0 108.27 -177.152 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.9 ptmm? -56.59 154.95 8.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 1.0 109.302 175.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -126.49 -43.51 1.75 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 1.0 111.023 171.494 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 66.34 86.06 0.14 Allowed 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.424 1.078 . . . . 1.0 110.323 156.6 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.7 p -73.76 -25.58 60.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.398 1.061 . . . . 1.0 108.331 -175.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.0 mt 62.7 160.97 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 1.0 109.302 -172.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.1 tttm 56.28 74.17 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 1.0 109.311 171.551 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 pp -57.0 143.42 38.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 1.0 109.305 -175.292 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.73 -45.52 1.31 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.528 1.142 . . . . 1.0 111.019 -175.494 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -71.69 88.82 0.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 0.782 . . . . 1.0 109.288 -169.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -90.24 60.14 4.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 1.0 109.297 -174.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -105.38 -68.12 0.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 1.0 109.299 177.496 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -68.26 -27.53 66.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 1.0 110.997 -172.292 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 87.0 m -66.78 -42.49 85.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.399 1.062 . . . . 1.0 108.312 174.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.37 -42.77 92.4 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.502 1.126 . . . . 1.0 109.282 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 -59.06 -47.61 84.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 1.0 110.317 -178.504 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -60.89 -54.56 43.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 1.0 110.252 177.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -53.11 -36.19 60.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 1.0 108.235 -177.506 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.25 -60.54 3.59 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.484 1.115 . . . . 1.0 109.282 -178.737 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -91.67 45.11 1.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 1.0 110.333 -169.687 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -159.6 -41.94 0.05 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 1.0 110.294 149.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -101.38 -5.32 25.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 1.0 110.967 -174.114 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.07 78.91 0.77 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.484 1.115 . . . . 1.0 110.954 -169.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -107.23 49.71 0.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 0.728 . . . . 1.0 109.373 158.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.38 12.45 63.03 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 1.0 110.971 -172.161 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.36 176.32 9.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 0.734 . . . . 1.0 109.29 -178.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -155.53 171.24 33.57 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.472 1.108 . . . . 1.0 111.032 -177.114 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.42 160.52 24.31 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.056 -0.817 . . . . 1.0 111.056 -172.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.1 p90 -149.78 179.1 8.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.506 0.768 . . . . 1.0 111.024 -171.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 45.3 t -102.15 107.69 18.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 1.0 108.307 -174.046 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.497 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -82.45 -161.54 0.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 1.0 111.035 171.125 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.72 85.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 1.0 109.272 174.397 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.497 ' N ' ' O ' ' A' ' 42' ' ' TYR . 5.3 m-85 55.77 37.73 29.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 1.0 111.036 171.244 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -166.33 151.66 8.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 1.0 109.275 175.362 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 95.0 m -87.38 144.63 26.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 1.0 108.343 -176.373 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.613 ' CE3' ' O ' ' A' ' 3' ' ' GLY . 1.5 t-105 -128.87 127.42 41.8 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.014 -1.106 . . . . 1.0 108.014 167.539 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.473 ' CB ' HD21 ' A' ' 51' ' ' LEU . 8.9 m -106.5 134.76 49.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 1.0 108.291 177.279 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.44 ' O ' ' OG1' ' A' ' 49' ' ' THR . 1.1 t -131.06 30.48 4.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 1.0 110.389 -153.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -174.63 42.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 1.0 109.58 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.66 ' N ' HD13 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -82.32 176.28 9.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 1.0 109.324 164.663 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.49 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -107.82 -166.19 1.12 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.543 1.152 . . . . 1.0 111.005 -170.941 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -43.6 -30.7 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 1.0 110.308 175.195 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -100.14 38.26 1.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 1.0 110.3 -177.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.41 101.67 0.78 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 1.0 109.332 164.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 22.3 mm -88.56 117.98 33.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.447 1.092 . . . . 1.0 109.257 165.186 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -117.89 146.22 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 1.0 109.294 -175.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.552 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 42.5 t90 -59.03 152.47 50.54 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.492 1.12 . . . . 1.0 108.072 -166.726 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.552 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.1 Cg_endo -75.0 -162.46 2.79 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 120.973 -2.511 . . . . 1.0 110.986 -14.64 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.21 147.57 83.11 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 1.0 109.259 154.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -58.85 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.799 . . . . 1.0 111.027 -157.358 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -111.16 23.9 13.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.565 1.165 . . . . 1.0 109.271 -172.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.66 58.3 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 1.0 109.284 166.224 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.81 160.3 20.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 1.0 110.268 174.033 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 11.9 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 1.0 108.242 -172.991 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.5 pttt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.292 -0.633 . . . . 1.0 109.292 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -115.4 -173.68 2.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 1.0 110.321 -176.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 153.03 -167.29 31.7 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.48 1.112 . . . . 1.0 110.952 158.047 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -66.62 102.4 0.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 0.795 . . . . 1.0 110.95 171.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.641 ' C ' HD23 ' A' ' 5' ' ' LEU . 1.0 OUTLIER -44.11 139.46 2.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 1.0 109.306 168.064 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.568 HG21 ' HG ' ' A' ' 60' ' ' LEU . 13.4 p -111.54 143.3 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 1.0 109.35 -176.054 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.85 134.94 47.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 1.0 109.296 -173.259 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.45 6.9 46.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 1.0 109.274 -160.325 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -100.63 -72.34 0.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 1.0 109.273 169.083 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.72 -17.6 14.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.113 . . . . 1.0 110.373 -169.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.8 35.28 89.43 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.524 1.14 . . . . 1.0 110.972 -171.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.86 95.3 5.7 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.255 -1.017 . . . . 1.0 108.255 -175.259 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.6 tttt 77.77 148.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 1.0 109.317 162.001 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.501 ' CE1' HD22 ' A' ' 5' ' ' LEU . 22.4 t80 -154.42 68.35 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 1.0 110.957 174.187 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -126.96 159.46 33.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.135 . . . . 1.0 110.312 -163.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.5 m -108.42 171.29 7.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 1.0 108.304 -173.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 67.8 mt -77.53 -50.75 11.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 1.0 109.366 176.089 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -130.7 171.08 13.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 1.0 109.235 171.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.7 pp -84.98 145.15 27.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 1.0 109.295 174.157 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.99 -7.31 73.24 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.536 1.148 . . . . 1.0 111.004 -177.408 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -79.58 56.43 2.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 0.729 . . . . 1.0 109.277 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 22.2 p-10 -89.66 46.02 1.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 1.0 109.327 -157.556 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.38 -60.7 1.62 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 1.0 109.311 175.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -59.54 -36.27 75.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 1.0 110.982 -178.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 60.3 m -63.84 -51.73 63.32 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.566 1.167 . . . . 1.0 108.248 -179.075 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.33 -49.78 75.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 1.0 109.311 178.32 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.1 mtm180 -66.2 -44.63 83.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 1.0 110.295 -165.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -65.32 -40.33 93.58 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.552 1.158 . . . . 1.0 110.317 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -59.19 -36.61 75.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 1.0 108.323 172.016 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -77.64 -20.06 54.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 1.0 109.304 -172.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -100.53 44.57 1.01 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 1.0 110.319 174.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -174.98 -25.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.443 1.09 . . . . 1.0 110.294 153.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -111.26 45.42 1.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 1.0 111.023 158.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -46.74 -25.67 2.36 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.415 1.072 . . . . 1.0 110.941 172.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -73.57 67.82 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 1.0 109.316 175.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.9 67.47 1.48 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.503 1.127 . . . . 1.0 110.991 165.128 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -107.13 138.68 42.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.76 . . . . 1.0 109.273 169.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -134.03 -1.38 3.67 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.446 1.091 . . . . 1.0 110.975 -174.285 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.05 -171.88 3.1 Favored Glycine 0 CA--C 1.531 1.08 0 N-CA-C 110.964 -0.855 . . . . 1.0 110.964 -173.068 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -169.72 179.3 3.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 0.788 . . . . 1.0 110.98 -154.326 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 56.3 m -97.09 107.7 20.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.167 . . . . 1.0 108.276 -178.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.491 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -82.91 -164.48 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 1.0 110.985 169.615 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.24 88.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 1.0 109.279 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.491 ' N ' ' O ' ' A' ' 42' ' ' TYR . 37.2 m-85 53.44 40.4 31.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 1.0 111.004 172.417 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -161.85 145.42 12.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 1.0 109.323 166.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 86.2 m -88.5 130.13 35.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 1.0 108.325 175.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 2.9 t-105 -129.62 132.28 46.7 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.949 -1.13 . . . . 1.0 107.949 -178.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 66.9 m -103.74 143.5 32.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 1.0 108.278 -179.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 t -155.31 60.77 0.63 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 1.0 110.39 -162.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -175.05 38.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 1.0 109.639 -175.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.7 mt -113.98 170.09 8.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 1.0 109.307 -158.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -108.66 -173.87 2.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 1.0 111.032 174.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -58.86 -22.58 59.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 1.0 110.326 -175.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -92.35 33.95 1.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 1.0 110.299 175.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.83 127.64 32.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 1.0 109.291 159.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.6 mm -114.07 122.07 67.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 1.0 109.268 170.276 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -134.36 149.24 29.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 1.0 109.376 -169.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.531 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 73.3 t90 -60.1 152.16 62.88 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.573 1.171 . . . . 1.0 107.982 -166.14 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.531 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.0 Cg_endo -75.05 -177.26 20.01 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.037 -2.485 . . . . 1.0 110.958 -16.078 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.568 ' HG ' HG21 ' A' ' 6' ' ' VAL . 2.3 mt -75.03 150.75 85.94 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 1.0 109.292 166.129 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -34.55 3.83 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.475 1.776 . . . . 1.0 111.012 -155.217 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -148.65 49.58 1.01 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.556 1.16 . . . . 1.0 109.274 172.207 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.42 59.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 1.0 109.348 167.742 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.0 ptt-85 -66.91 171.68 5.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 1.0 110.306 173.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 5.8 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 1.0 108.259 167.469 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.338 -0.616 . . . . 1.0 109.338 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.522 ' HA ' HD12 ' A' ' 51' ' ' LEU . 24.9 mt-10 -126.49 152.68 46.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 1.0 110.334 169.495 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 166.96 -166.19 39.0 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.573 1.17 . . . . 1.0 111.006 -171.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -77.69 126.56 31.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 0.793 . . . . 1.0 111.042 -175.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -63.01 162.44 11.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 1.0 109.315 -175.009 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -137.33 144.68 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 1.0 109.319 -169.442 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -78.25 129.31 34.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 1.0 109.313 173.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.52 -21.91 61.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 1.0 109.238 -174.69 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -79.2 -80.64 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 1.0 109.287 -178.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 73.6 p -84.18 -21.87 31.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 1.0 110.411 -168.177 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 51.49 40.22 46.47 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.501 1.126 . . . . 1.0 111.049 -166.45 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -93.72 157.34 16.21 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.249 -1.019 . . . . 1.0 108.249 177.139 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -58.69 132.28 53.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 1.0 109.33 -167.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -125.89 125.42 42.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 1.0 111.019 -176.227 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -154.93 172.2 18.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 1.0 110.367 -157.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.1 t -82.13 -46.73 13.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 1.0 108.267 -168.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 24.7 mt 59.21 122.41 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 1.0 109.316 -143.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.7 tttm 66.14 101.54 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 1.0 109.344 -175.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.38 167.2 7.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.583 1.177 . . . . 1.0 109.356 175.731 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.82 -58.05 0.64 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.108 . . . . 1.0 110.941 173.225 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -73.83 93.97 2.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.529 0.782 . . . . 1.0 109.337 -165.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -84.18 50.68 1.9 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 1.0 109.278 -173.541 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -106.63 -56.62 2.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.555 1.159 . . . . 1.0 109.25 -175.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -74.39 -30.98 62.18 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.488 1.118 . . . . 1.0 110.98 -179.492 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 81.7 m -59.76 -45.36 92.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 1.0 108.279 174.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.99 -47.8 83.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.388 1.055 . . . . 1.0 109.288 -179.181 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.1 mtt85 -58.42 -51.45 69.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 1.0 110.285 -175.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -67.03 -40.61 87.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 1.0 110.278 -173.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -56.26 -42.71 77.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 1.0 108.289 173.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -65.88 -55.14 18.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 1.0 109.35 -172.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -98.94 47.42 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 1.0 110.332 -175.161 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.401 ' HG3' ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -167.6 -26.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 1.0 110.313 165.58 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.401 ' N ' ' HG3' ' A' ' 32' ' ' GLN . 1.8 m-85 -122.76 66.84 0.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 1.0 110.981 155.496 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.56 140.08 8.33 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.512 1.133 . . . . 1.0 111.056 145.538 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -74.05 65.18 1.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.582 0.813 . . . . 1.0 109.297 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -166.83 -54.27 0.03 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.522 1.139 . . . . 1.0 110.997 176.607 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.07 177.81 3.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 0.76 . . . . 1.0 109.253 -156.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -159.63 -173.95 28.76 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.477 1.11 . . . . 1.0 111.075 -176.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.27 -178.09 48.28 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.079 -0.808 . . . . 1.0 111.079 -154.324 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.479 ' CE2' HG21 ' A' ' 49' ' ' THR . 1.7 p90 -159.1 170.05 22.87 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.528 0.781 . . . . 1.0 111.08 172.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 87.6 m -95.38 105.08 17.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 1.0 108.255 -172.293 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.485 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -83.64 -170.19 2.94 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.531 1.145 . . . . 1.0 110.983 167.855 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.08 89.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 1.0 109.347 -178.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.485 ' N ' ' O ' ' A' ' 42' ' ' TYR . 45.9 m-85 49.8 47.26 23.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 1.0 110.999 177.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -162.47 145.13 11.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 1.0 109.282 164.18 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 35.0 m -99.81 104.38 16.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 1.0 108.342 -173.079 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 4.2 t-105 -87.7 121.73 30.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 1.0 108.003 -177.335 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.671 ' HB3' HD11 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -89.95 143.98 26.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 1.0 108.299 169.804 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.479 HG21 ' CE2' ' A' ' 40' ' ' TYR . 2.1 t -144.52 36.92 1.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 1.0 110.451 -170.161 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.413 ' CG ' ' O ' ' A' ' 49' ' ' THR . 99.4 m-70 -151.22 61.94 0.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 1.0 109.623 168.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.671 HD11 ' HB3' ' A' ' 48' ' ' CYS . 23.0 mt -114.37 167.17 10.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 1.0 109.307 -167.807 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -108.45 -179.72 3.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 1.0 110.945 163.73 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -62.4 -23.54 66.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 1.0 110.3 -175.177 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -93.94 34.63 1.21 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.508 1.13 . . . . 1.0 110.331 177.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.06 123.29 47.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 1.0 109.271 150.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 53.4 mt -86.07 151.48 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.163 . . . . 1.0 109.257 165.269 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -122.02 143.27 35.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.414 1.072 . . . . 1.0 109.332 176.711 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.554 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 46.9 t90 -54.27 151.23 13.88 Favored Pre-proline 0 C--N 1.326 -0.446 0 N-CA-C 107.971 -1.122 . . . . 1.0 107.971 -159.617 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.554 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.2 Cg_endo -75.01 -160.81 2.3 Favored 'Cis proline' 0 C--N 1.361 1.187 0 C-N-CA 120.953 -2.52 . . . . 1.0 110.979 -13.056 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.5 156.72 91.5 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.486 1.116 . . . . 1.0 109.303 151.637 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -55.54 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.528 1.804 . . . . 1.0 111.014 167.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -102.55 7.64 40.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 1.0 109.288 -156.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -163.69 57.26 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 1.0 109.296 175.09 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.6 ptt85 -64.98 166.62 8.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 1.0 110.31 173.519 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 1.0 108.228 -175.942 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 19.4 ttpt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.341 -0.614 . . . . 1.0 109.341 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -93.93 158.11 15.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 1.0 110.256 -158.073 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 171.53 -167.67 40.76 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.465 1.103 . . . . 1.0 111.029 -178.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -77.62 105.64 8.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 0.747 . . . . 1.0 110.957 176.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -52.45 145.39 11.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 1.0 109.319 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.592 HG21 ' HG ' ' A' ' 60' ' ' LEU . 9.2 p -109.81 154.78 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.588 1.18 . . . . 1.0 109.267 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -86.06 157.84 19.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 1.0 109.325 179.266 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -105.05 -31.87 8.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 1.0 109.327 171.158 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.2 -66.96 0.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 1.0 109.316 -170.48 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 28.3 p -84.82 -28.59 26.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 1.0 110.376 174.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.47 19.67 73.43 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 1.0 110.993 -174.332 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -104.23 168.58 9.01 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.262 -1.014 . . . . 1.0 108.262 -169.11 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.8 tttt -60.47 136.24 57.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.401 1.063 . . . . 1.0 109.274 167.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -57.12 -46.98 82.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.158 . . . . 1.0 111.001 178.061 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 62.46 78.22 0.3 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.153 . . . . 1.0 110.334 -175.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 22.6 t -68.16 157.57 35.08 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 1.0 108.297 -174.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.77 -168.25 0.18 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.451 1.094 . . . . 1.0 109.297 -179.222 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -39.59 128.14 1.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 1.0 109.337 173.152 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 pp -67.69 158.55 32.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 1.0 109.305 -172.043 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.97 -41.61 2.14 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.471 1.107 . . . . 1.0 110.982 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -75.57 88.59 2.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.777 . . . . 1.0 109.316 -172.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -94.02 50.86 1.45 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.54 1.15 . . . . 1.0 109.279 -169.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -105.25 -58.12 1.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 1.0 109.315 -177.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -73.46 -30.29 63.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 1.0 111.002 -177.442 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.9 t -57.02 -55.17 38.12 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.496 1.122 . . . . 1.0 108.324 170.409 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.76 -49.23 75.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.594 1.184 . . . . 1.0 109.36 -177.339 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.2 mtt85 -55.34 -51.44 66.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 1.0 110.286 -175.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -65.11 -47.7 76.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 1.0 110.325 -173.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.0 t -54.55 -43.11 71.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 1.0 108.231 178.647 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.6 ttmt -67.2 -53.39 30.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 1.0 109.336 -174.5 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -99.88 49.15 0.92 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 1.0 110.271 -176.417 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.458 ' HG3' ' N ' ' A' ' 33' ' ' TYR . 0.1 OUTLIER -165.4 -32.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 1.0 110.272 164.83 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.458 ' N ' ' HG3' ' A' ' 32' ' ' GLN . 0.1 OUTLIER -119.09 38.62 3.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 1.0 111.017 171.536 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.62 136.62 8.6 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.604 1.19 . . . . 1.0 110.976 156.304 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -78.3 64.6 3.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 0.774 . . . . 1.0 109.252 -169.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -178.31 -39.52 0.06 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.501 1.125 . . . . 1.0 110.967 -177.327 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.2 171.44 1.33 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 0.802 . . . . 1.0 109.328 178.052 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -159.88 -168.75 22.29 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.493 1.121 . . . . 1.0 111.015 -176.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.411 ' HA2' HG22 ' A' ' 49' ' ' THR . . . 170.21 -175.02 44.3 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.966 -0.854 . . . . 1.0 110.966 -165.421 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -159.93 167.66 27.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 0.756 . . . . 1.0 110.907 171.583 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 16.7 t -89.06 101.89 14.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 1.0 108.33 -171.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.537 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -82.92 -165.16 1.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 1.0 111.01 172.499 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.23 85.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 1.0 109.273 -179.095 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.537 ' N ' ' O ' ' A' ' 42' ' ' TYR . 47.1 m-85 45.64 47.24 11.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 1.0 111.05 -179.15 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -160.52 139.1 10.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 1.0 109.251 168.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 15.0 t -90.42 102.01 14.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 1.0 108.287 -173.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 12.9 t-105 -84.73 114.87 22.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 1.0 107.997 -179.186 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 29.2 m -96.29 146.16 24.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 1.0 108.299 176.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.418 ' O ' ' CG ' ' A' ' 50' ' ' HIS . 7.7 t -154.81 45.1 0.51 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 1.0 110.383 -161.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.418 ' CG ' ' O ' ' A' ' 49' ' ' THR . 12.3 m-70 -165.24 59.48 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 1.0 109.596 164.654 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.4 mt -108.11 -177.24 3.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 1.0 109.324 -171.484 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -107.94 -177.02 3.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 1.0 111.007 167.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -63.37 -20.09 65.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.403 1.064 . . . . 1.0 110.345 -174.4 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -86.74 17.0 4.23 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 1.0 110.315 178.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.52 133.54 55.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.152 . . . . 1.0 109.245 163.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 8.8 mm -118.43 138.46 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 1.0 109.297 162.305 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -132.34 145.26 34.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 1.0 109.354 -174.669 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.544 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 78.1 t90 -60.61 151.59 70.42 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 1.0 107.969 -164.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.544 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.2 Cg_endo -75.04 -179.4 26.56 Favored 'Cis proline' 0 C--N 1.362 1.249 0 C-N-CA 120.998 -2.501 . . . . 1.0 110.992 -15.425 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.592 ' HG ' HG21 ' A' ' 6' ' ' VAL . 1.0 OUTLIER -68.92 147.73 97.85 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 1.0 109.268 173.697 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -35.12 3.29 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.46 1.769 . . . . 1.0 111.032 -147.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -144.71 56.17 1.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 1.0 109.301 171.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.99 162.34 7.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 1.0 109.331 169.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -117.46 165.8 13.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 1.0 110.284 -167.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 1.0 108.252 174.042 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.325 -0.62 . . . . 1.0 109.325 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -84.06 167.47 16.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.571 1.169 . . . . 1.0 110.287 -158.158 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 159.47 -158.75 29.88 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.53 1.144 . . . . 1.0 111.034 177.194 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -78.38 122.51 25.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.773 . . . . 1.0 111.052 -177.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.82 160.71 5.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.145 . . . . 1.0 109.326 -169.166 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.651 HG21 ' HG ' ' A' ' 60' ' ' LEU . 13.1 p -130.8 150.41 34.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 1.0 109.279 175.493 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -79.11 148.53 32.35 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.547 1.154 . . . . 1.0 109.327 171.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.6 mmtp -92.19 -16.05 26.76 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.561 1.163 . . . . 1.0 109.331 -172.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -98.5 -73.09 0.63 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.458 1.099 . . . . 1.0 109.281 -174.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -84.42 -12.99 53.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 1.0 110.392 -174.395 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 56.78 33.91 64.05 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.594 1.183 . . . . 1.0 111.034 178.399 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.12 143.12 33.73 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.225 -1.028 . . . . 1.0 108.225 179.173 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.416 ' NZ ' ' OE1' ' A' ' 15' ' ' GLU . 20.7 pttp -65.46 162.11 18.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 1.0 109.281 176.782 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -101.47 -36.36 8.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.592 1.183 . . . . 1.0 110.961 -175.477 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.416 ' OE1' ' NZ ' ' A' ' 13' ' ' LYS . 34.4 tt0 63.16 87.71 0.1 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.458 1.099 . . . . 1.0 110.216 170.386 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.4 t -75.41 88.64 2.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 1.0 108.346 176.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.1 pp -50.76 145.49 6.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 1.0 109.295 167.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.5 tttp 61.95 89.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 1.0 109.318 -170.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.1 pp -61.55 159.51 12.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 1.0 109.294 172.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.89 -59.85 0.65 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 1.0 110.986 176.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -69.9 93.63 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.421 0.718 . . . . 1.0 109.297 -166.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.7 p-10 -85.67 62.38 7.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 1.0 109.28 -175.402 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -105.87 -66.05 1.02 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 1.0 109.319 172.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -62.32 -37.38 85.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 1.0 111.023 -176.056 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 44.9 t -54.65 -57.8 10.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 1.0 108.307 172.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.37 -40.32 74.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 1.0 109.278 -172.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.69 -58.7 5.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.388 1.055 . . . . 1.0 110.305 -178.018 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.99 -39.88 75.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 1.0 110.313 -174.791 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.7 t -58.07 -47.16 84.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 1.0 108.322 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.4 -35.3 68.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 1.0 109.295 -173.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -107.6 36.18 2.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 1.0 110.255 -170.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.487 ' HG3' ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -162.63 -35.67 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.578 1.174 . . . . 1.0 110.278 170.351 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.487 ' N ' ' HG3' ' A' ' 32' ' ' GLN . 0.1 OUTLIER -108.82 26.7 10.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.564 1.165 . . . . 1.0 110.961 174.913 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 108.62 142.84 10.13 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.508 1.13 . . . . 1.0 111.025 160.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -73.56 66.57 1.03 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 1.0 109.271 -176.03 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -165.9 -51.75 0.02 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.466 1.104 . . . . 1.0 110.935 177.11 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.52 174.88 2.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.599 0.823 . . . . 1.0 109.267 -162.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.05 -168.89 15.11 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.537 1.148 . . . . 1.0 110.982 177.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 173.62 179.51 44.32 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.0 -0.84 . . . . 1.0 111.0 -161.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.497 ' CE2' HG21 ' A' ' 49' ' ' THR . 0.7 OUTLIER -157.56 166.55 32.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 0.768 . . . . 1.0 111.004 171.411 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 96.1 m -87.32 104.19 16.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.416 1.072 . . . . 1.0 108.3 -175.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.489 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.2 OUTLIER -83.82 -172.85 4.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.399 1.062 . . . . 1.0 110.995 162.022 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.69 90.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 1.0 109.249 -172.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.489 ' N ' ' O ' ' A' ' 42' ' ' TYR . 25.9 m-85 54.02 40.66 31.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 1.0 110.983 174.479 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -162.5 135.91 6.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 1.0 109.304 167.138 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.2 t -85.09 109.77 18.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 1.0 108.375 -177.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 2.9 t-105 -86.06 122.12 29.63 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.952 -1.129 . . . . 1.0 107.952 175.187 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 23.0 m -99.27 139.16 35.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 1.0 108.285 174.442 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.497 HG21 ' CE2' ' A' ' 40' ' ' TYR . 2.3 t -143.74 46.05 1.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 1.0 110.437 -165.422 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 63.1 t60 -162.74 61.44 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 1.0 109.669 164.039 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 14.4 mt -108.65 174.56 5.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.407 1.067 . . . . 1.0 109.285 -170.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -106.84 -175.67 2.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.584 1.178 . . . . 1.0 110.962 177.686 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -56.42 -19.75 16.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 1.076 . . . . 1.0 110.277 -174.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.17 32.03 1.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 1.0 110.324 176.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -79.25 102.23 8.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 1.0 109.312 166.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 19.5 mm -98.05 146.66 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 1.0 109.328 163.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -133.35 138.49 51.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 1.0 109.331 -174.29 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.552 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 61.2 t90 -60.77 151.66 71.62 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 1.0 107.958 -155.626 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.552 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.1 Cg_endo -75.05 -164.25 3.53 Favored 'Cis proline' 0 C--N 1.361 1.196 0 C-N-CA 120.927 -2.531 . . . . 1.0 111.002 -14.538 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.651 ' HG ' HG21 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -99.29 158.73 31.71 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 1.0 109.302 160.821 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -50.82 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.473 1.775 . . . . 1.0 110.956 -169.243 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.0 p-10 -103.58 6.36 37.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 1.0 109.262 -160.254 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -165.05 60.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 1.0 109.323 175.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 50.6 ptt85 -64.03 166.33 7.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 1.0 110.278 170.392 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 1.0 108.312 175.415 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 48.5 pttt . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.345 -0.613 . . . . 1.0 109.345 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -137.7 141.19 41.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 1.0 110.359 -174.511 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 177.66 -172.38 45.07 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.516 1.135 . . . . 1.0 110.991 -177.025 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.403 ' CE1' ' HB3' ' A' ' 45' ' ' ALA . 70.8 m-85 -75.92 111.65 11.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 0.801 . . . . 1.0 110.967 179.429 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.7 HD22 ' C ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -54.66 161.41 1.51 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 1.0 109.297 -176.732 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.509 ' N ' HD22 ' A' ' 5' ' ' LEU . 9.6 p -134.76 150.33 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 1.0 109.274 -173.671 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.25 120.05 26.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 1.0 109.307 171.05 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.0 mttt -72.32 -9.74 58.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 1.0 109.265 -170.414 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -75.98 -77.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 1.0 109.286 176.059 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.1 p -100.84 -20.96 15.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.387 1.054 . . . . 1.0 110.455 -165.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 57.25 40.0 91.07 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.485 1.115 . . . . 1.0 111.016 -176.068 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -102.89 -1.26 29.89 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.297 -1.001 . . . . 1.0 108.297 -173.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 pttt 72.67 159.83 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.167 . . . . 1.0 109.279 170.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -105.44 -52.78 2.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 1.0 110.959 -174.725 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 68.53 158.31 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 1.0 110.316 -175.05 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 1.149 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 1.6 p -141.88 119.56 11.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.573 1.171 . . . . 1.0 108.3 169.566 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -85.05 50.37 1.93 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 1.0 109.359 -166.6 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -178.84 80.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 1.0 109.315 -164.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.93 152.51 40.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 1.0 109.365 -168.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.2 -53.98 1.83 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.5 1.125 . . . . 1.0 111.05 -173.354 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -66.04 96.1 0.3 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 0.762 . . . . 1.0 109.287 -168.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -92.44 53.81 2.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 1.0 109.279 -175.053 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -106.16 -61.68 1.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 1.0 109.316 177.552 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -70.65 -30.98 67.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 1.0 111.001 -176.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 1.149 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 45.7 m -71.59 -31.82 67.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 1.0 108.237 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.45 -50.82 68.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.137 . . . . 1.0 109.312 169.654 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.9 mtt-85 -55.02 -46.95 75.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.422 1.076 . . . . 1.0 110.294 -176.183 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.35 -52.34 65.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 1.0 110.281 179.339 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -54.61 -40.24 68.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.078 . . . . 1.0 108.325 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -77.44 -22.95 50.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 1.0 109.306 -167.611 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -109.75 57.11 0.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 1.0 110.327 169.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -178.12 -24.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.098 . . . . 1.0 110.288 146.492 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.672 ' CD2' HD22 ' A' ' 51' ' ' LEU . 83.8 m-85 -108.05 46.23 0.97 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 1.0 110.997 155.045 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.27 -7.45 25.51 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.489 1.118 . . . . 1.0 110.986 -178.594 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -73.69 66.46 1.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 0.759 . . . . 1.0 109.279 172.084 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 64.25 42.02 98.03 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.541 1.151 . . . . 1.0 111.005 162.06 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -106.69 170.08 8.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 1.0 109.278 176.08 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -146.08 -175.41 19.09 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.579 1.174 . . . . 1.0 110.983 168.442 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.495 ' HA2' HG22 ' A' ' 49' ' ' THR . . . 178.22 179.6 48.24 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.033 -0.827 . . . . 1.0 111.033 -170.335 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.583 ' CE2' HG21 ' A' ' 49' ' ' THR . 2.3 p90 -159.15 174.98 14.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 0.776 . . . . 1.0 110.931 174.376 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 14.1 t -96.37 108.52 21.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 1.0 108.338 -174.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -82.97 -173.13 4.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 1.0 111.007 171.209 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.571 ' O ' ' CG ' ' A' ' 44' ' ' PHE . . . -49.83 -40.29 41.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.105 . . . . 1.0 109.278 -158.214 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.571 ' CG ' ' O ' ' A' ' 43' ' ' ALA . 32.8 m-85 -161.18 71.62 0.41 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 1.0 111.071 156.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' A' ' 44' ' ' PHE . . . -175.09 164.85 3.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 1.0 109.27 156.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.462 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 99.0 m -93.84 104.32 16.39 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.464 1.103 . . . . 1.0 108.257 -171.329 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 7.7 t-105 -93.07 120.63 33.57 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.997 -1.112 . . . . 1.0 107.997 -177.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 33.8 m -101.51 144.31 30.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 1.0 108.321 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.583 HG21 ' CE2' ' A' ' 40' ' ' TYR . 3.0 t -153.1 42.98 0.61 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.464 1.103 . . . . 1.0 110.349 -157.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 16.5 t60 -164.52 56.52 0.14 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.391 1.057 . . . . 1.0 109.628 166.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.672 HD22 ' CD2' ' A' ' 33' ' ' TYR . 11.6 mt -103.81 179.33 4.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 1.0 109.299 -167.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -108.38 -172.23 2.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 1.0 110.956 174.021 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -54.66 -26.52 33.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 1.0 110.332 -177.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -91.38 31.91 1.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.591 1.182 . . . . 1.0 110.331 179.114 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.54 100.11 0.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 1.0 109.355 163.021 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.6 mm -100.65 138.46 24.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 1.0 109.292 167.605 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -138.97 143.93 30.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 1.0 109.367 -169.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.545 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 70.3 t90 -59.46 153.16 51.25 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 1.0 108.019 -159.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.545 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.4 Cg_endo -74.98 -160.36 2.17 Favored 'Cis proline' 0 C--N 1.36 1.138 0 C-N-CA 121.024 -2.49 . . . . 1.0 111.016 -16.777 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.1 154.98 88.53 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 1.0 109.326 153.8 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 -52.3 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.495 1.787 . . . . 1.0 110.97 173.154 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.2 p-10 -107.08 6.99 29.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 1.0 109.3 -159.044 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -164.89 57.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 1.0 109.302 176.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.7 ptt-85 -65.04 165.12 11.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 1.0 110.27 170.273 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 1.0 108.264 -174.58 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 58.7 tttp . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.308 -0.627 . . . . 1.0 109.308 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -137.75 156.8 47.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 1.0 110.328 176.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 164.83 -167.68 38.7 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.486 1.116 . . . . 1.0 110.993 155.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -74.77 93.74 2.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.394 0.702 . . . . 1.0 110.969 172.558 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.53 150.16 3.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 1.0 109.351 -165.059 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.5 p -115.96 152.14 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 1.0 109.276 168.178 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -87.07 153.12 21.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 1.0 109.342 -172.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.7 mttp -98.92 -4.78 32.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 1.0 109.242 -169.254 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -111.9 -70.63 0.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 1.0 109.278 -175.799 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.2 p -94.09 -6.47 45.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 1.0 110.359 -175.534 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 59.19 25.14 59.63 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.449 1.093 . . . . 1.0 110.994 -178.419 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.483 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -120.02 -160.02 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.273 -1.01 . . . . 1.0 108.273 -173.215 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.483 ' HB2' ' O ' ' A' ' 12' ' ' CYS . 49.6 mttm 82.24 -138.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 1.0 109.277 -178.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.482 ' CG ' ' C ' ' A' ' 13' ' ' LYS . 2.2 p90 30.88 63.62 0.19 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 1.0 110.982 -162.25 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -152.65 61.11 0.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 1.0 110.208 172.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.5 p -72.14 146.96 47.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 1.0 108.317 -176.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -68.62 128.73 37.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 1.0 109.251 -177.478 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 mtmp? 67.24 162.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 1.0 109.337 179.259 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -105.94 148.61 27.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 1.0 109.305 169.193 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.75 -29.86 10.67 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.542 1.151 . . . . 1.0 111.01 177.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.31 80.75 1.85 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 0.749 . . . . 1.0 109.314 -177.124 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -89.76 39.13 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 1.0 109.33 -168.457 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -103.74 -48.66 3.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 1.0 109.306 172.409 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -63.92 -32.88 74.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 1.0 110.947 -177.422 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.4 t -63.58 -56.76 13.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 1.0 108.312 176.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.3 mt -46.65 -50.21 18.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 1.0 109.314 176.105 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 52.1 mtt-85 -55.62 -52.31 64.23 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 1.0 110.339 -175.019 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -63.14 -43.33 98.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 1.0 110.28 -174.24 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.43 -35.22 71.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 1.0 108.316 177.674 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -69.52 -32.42 71.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 1.0 109.334 -169.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -105.33 43.54 1.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 1.0 110.306 -177.578 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -166.08 -38.15 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 1.0 110.331 159.237 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -121.77 25.37 9.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.589 1.181 . . . . 1.0 110.94 177.012 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.39 78.98 0.32 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.532 1.145 . . . . 1.0 111.04 176.049 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -106.71 23.87 13.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 0.764 . . . . 1.0 109.288 162.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.88 24.39 30.16 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.542 1.151 . . . . 1.0 111.007 -168.155 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.02 170.3 16.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.592 0.819 . . . . 1.0 109.257 178.144 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.94 176.19 21.07 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.434 1.084 . . . . 1.0 110.974 -178.03 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -179.41 177.41 48.29 Favored Glycine 0 CA--C 1.531 1.085 0 N-CA-C 110.998 -0.841 . . . . 1.0 110.998 -177.563 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -153.68 169.36 23.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.581 0.812 . . . . 1.0 110.983 171.283 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.0 m -93.35 106.03 18.04 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 1.0 108.254 -174.118 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.497 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -82.97 -162.12 0.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 1.0 111.004 167.539 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.2 85.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 1.0 109.317 177.082 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.497 ' N ' ' O ' ' A' ' 42' ' ' TYR . 53.2 m-85 50.67 49.56 20.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 1.0 110.973 172.485 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -167.52 167.31 13.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 1.0 109.281 157.162 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 12.5 t -99.04 108.95 21.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 1.0 108.366 -175.064 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 10.6 t-105 -85.22 116.76 23.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 1.0 108.034 168.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 13.1 m -103.44 143.65 32.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 1.0 108.276 177.652 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 t -145.3 49.45 1.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 1.0 110.289 -162.018 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -170.09 60.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 1.0 109.584 160.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.5 mt -104.68 171.25 7.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 1.0 109.321 -170.571 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -106.78 -179.5 3.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 1.0 110.993 164.105 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -67.07 -18.51 65.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 1.0 110.292 -173.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -78.4 -2.5 38.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.087 . . . . 1.0 110.228 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -93.44 140.99 28.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 1.0 109.31 171.02 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.8 mt -118.14 151.85 20.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 1.0 109.308 178.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -126.82 148.55 31.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 1.0 109.293 -177.723 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.596 ' CD1' ' HA ' ' A' ' 59' ' ' PRO . 90.5 t90 -57.94 154.29 29.16 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 1.0 108.058 -157.453 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.596 ' HA ' ' CD1' ' A' ' 58' ' ' TRP . 18.2 Cg_endo -75.02 -175.66 16.49 Favored 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 121.018 -2.493 . . . . 1.0 110.996 -18.753 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.1 mt -68.88 154.16 95.21 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 1.0 109.277 154.288 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -32.15 5.54 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.503 1.791 . . . . 1.0 111.019 -159.709 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -156.66 54.58 0.54 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 1.0 109.25 169.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.03 59.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 1.0 109.288 167.585 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 28.0 ptt180 -71.7 170.37 13.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 1.0 110.293 173.409 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 14.5 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 1.0 108.283 -169.522 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.348 -0.612 . . . . 1.0 109.348 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -114.03 163.77 14.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 1.0 110.352 -170.096 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 168.26 -164.24 37.83 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.426 1.079 . . . . 1.0 111.039 161.17 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -67.69 175.79 2.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.579 0.811 . . . . 1.0 111.076 176.439 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 mp -106.27 156.32 18.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 1.0 109.317 -178.681 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.7 p -149.44 140.8 17.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.61 1.194 . . . . 1.0 109.261 -161.287 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -101.65 172.04 7.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 1.0 109.292 175.548 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -97.91 -14.93 20.38 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.555 1.16 . . . . 1.0 109.36 175.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -80.41 -77.24 0.2 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 1.0 109.365 -176.146 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.1 p -98.78 -18.78 17.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 1.0 110.409 -176.406 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.96 -28.7 11.74 Favored Glycine 0 CA--C 1.528 0.906 0 O-C-N 124.56 1.163 . . . . 1.0 111.023 -168.435 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -53.7 16.74 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.282 -1.007 . . . . 1.0 108.282 -157.504 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.455 ' HG3' ' CD2' ' A' ' 14' ' ' TYR . 10.2 tptt 72.42 -83.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 1.0 109.27 176.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.455 ' CD2' ' HG3' ' A' ' 13' ' ' LYS . 23.3 m-85 -139.6 144.6 37.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 1.0 110.997 -164.365 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -147.38 84.2 1.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 1.0 110.284 172.004 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.5 p -59.6 109.15 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 1.0 108.286 179.322 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.4 mt -80.88 56.73 2.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 1.0 109.358 -172.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 44.2 tptt -174.73 66.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.165 . . . . 1.0 109.342 -169.149 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 pp -61.99 141.94 57.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 1.0 109.352 -173.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.72 -56.18 0.64 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.475 1.11 . . . . 1.0 110.976 -174.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.63 96.25 1.19 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 0.778 . . . . 1.0 109.293 -168.241 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.9 p-10 -89.81 64.89 6.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 1.0 109.319 -176.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -105.66 -64.47 1.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 1.0 109.266 172.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -70.8 -23.55 62.39 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 1.0 111.078 -170.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 98.8 m -74.76 -37.37 62.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 1.0 108.273 176.079 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.61 -16.11 59.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 1.0 109.306 -178.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 50.2 mtt85 -79.81 -46.94 16.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 1.0 110.304 166.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -59.87 -56.67 18.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.412 1.07 . . . . 1.0 110.294 -174.174 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.2 t -52.49 -38.32 59.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 1.0 108.308 -177.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.98 -54.69 12.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 1.0 109.298 -174.148 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -107.61 50.1 0.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 1.0 110.299 -171.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.501 ' HG3' ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -166.99 -34.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 1.0 110.316 160.035 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.576 ' CD1' HD22 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -112.91 35.5 3.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 1.0 111.066 172.389 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.65 135.81 8.32 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.527 1.142 . . . . 1.0 111.021 156.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -79.74 65.54 4.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 0.767 . . . . 1.0 109.338 -168.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -175.9 -42.92 0.06 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.556 1.16 . . . . 1.0 110.978 -179.3 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.17 159.85 11.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 0.792 . . . . 1.0 109.24 -179.203 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -134.97 -173.56 13.13 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 1.0 111.008 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 174.13 -178.5 45.96 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.01 -0.836 . . . . 1.0 111.01 -164.384 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -161.45 173.86 14.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 0.749 . . . . 1.0 110.988 173.378 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 40.2 t -96.75 109.37 22.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 1.0 108.286 -172.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.471 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -82.84 -165.8 1.16 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.454 1.096 . . . . 1.0 110.934 168.144 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.28 84.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 1.0 109.299 169.112 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.471 ' N ' ' O ' ' A' ' 42' ' ' TYR . 8.2 m-85 57.48 41.11 26.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 1.0 110.982 167.29 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -161.64 147.34 13.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 1.0 109.293 161.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 96.8 m -86.55 112.21 21.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 1.0 108.304 -177.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 18.7 t-105 -88.36 119.69 29.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 1.0 108.013 172.336 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.485 ' HB3' HD21 ' A' ' 51' ' ' LEU . 10.8 m -95.48 153.87 17.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 1.0 108.27 173.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.6 t -155.73 57.52 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 1.0 110.402 -174.182 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -176.87 61.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 1.0 109.539 157.137 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.576 HD22 ' CD1' ' A' ' 33' ' ' TYR . 20.6 mt -98.92 -175.38 3.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 1.0 109.29 -166.74 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -106.5 -178.77 3.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 1.0 111.036 172.035 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -68.85 -10.22 55.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 1.0 110.323 -169.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -91.84 30.5 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 1.0 110.264 170.326 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.31 93.19 3.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 1.0 109.324 166.009 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 25.0 mm -90.02 142.33 13.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 1.0 109.24 155.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -134.95 143.6 36.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 1.0 109.286 -165.557 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.629 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 57.6 t90 -62.81 152.71 81.8 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 1.0 107.993 178.704 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.629 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.3 Cg_endo -74.94 174.5 52.3 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.021 -2.491 . . . . 1.0 111.016 -12.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.6 mt -62.06 152.32 78.01 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 1.0 109.282 158.182 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -38.85 1.38 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.515 1.798 . . . . 1.0 110.984 -156.395 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 37.1 p-10 -134.69 31.65 3.35 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.518 1.136 . . . . 1.0 109.329 -177.408 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.0 pttm -167.22 58.17 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 1.0 109.299 178.276 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -64.65 163.58 13.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 1.0 110.285 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 1.0 108.289 171.062 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 45.8 pttt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.324 -0.621 . . . . 1.0 109.324 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -120.48 154.84 34.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 1.0 110.241 -179.309 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 164.64 -167.39 38.44 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.587 1.18 . . . . 1.0 111.004 161.549 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -66.06 116.98 7.74 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.447 0.733 . . . . 1.0 111.055 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.08 135.42 25.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 1.0 109.311 168.632 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.3 p -113.16 148.92 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 1.0 109.283 -171.67 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.23 133.2 37.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 1.0 109.267 170.102 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.2 ttpt -94.03 2.95 55.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 1.0 109.26 -159.238 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -99.69 -72.68 0.66 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 1.0 109.315 177.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.88 -20.02 19.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 1.0 110.376 -171.57 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 70.5 39.45 68.77 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.571 1.169 . . . . 1.0 111.028 -170.468 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 21.2 m -81.97 -85.7 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.344 -0.984 . . . . 1.0 108.344 175.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt -176.99 178.99 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 1.0 109.278 -176.399 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -106.75 -38.16 6.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 1.0 111.006 155.509 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 66.09 96.67 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 1.0 110.302 169.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 40.1 t -71.91 132.59 44.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 1.0 108.284 -174.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 pp -63.08 101.46 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 1.0 109.299 167.226 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? 69.52 120.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 1.0 109.297 176.661 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.94 158.87 15.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.145 . . . . 1.0 109.269 175.04 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.5 -42.37 1.91 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.465 1.103 . . . . 1.0 110.996 172.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -74.72 79.38 2.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 1.0 109.221 -173.391 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -88.14 49.12 1.74 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 1.0 109.364 -168.218 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -106.51 -49.62 3.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 1.0 109.269 171.514 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -64.6 -42.34 95.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.119 . . . . 1.0 110.96 -173.263 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.909 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 96.7 m -66.89 -43.32 83.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 1.0 108.305 -179.438 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.44 HD21 ' O ' ' A' ' 37' ' ' ALA . 0.2 OUTLIER -59.02 -42.23 89.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 1.0 109.264 176.385 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -66.88 -40.14 87.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 1.0 110.273 -175.31 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -69.64 -50.73 41.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 1.0 110.236 -173.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -66.04 -21.3 66.38 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.498 1.123 . . . . 1.0 108.25 -177.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -57.0 -55.92 28.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 1.0 109.308 174.401 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -105.89 41.32 1.42 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 1.0 110.302 -168.707 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -153.78 -43.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 1.0 110.305 161.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.431 ' CG ' HD12 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -105.11 14.44 29.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 1.0 111.043 -176.067 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 110.11 139.46 8.31 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.512 1.132 . . . . 1.0 111.05 164.425 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 66.4 mttt -80.3 68.18 6.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 0.773 . . . . 1.0 109.308 -173.619 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -166.03 44.12 0.27 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.544 1.153 . . . . 1.0 110.984 168.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.44 ' O ' HD21 ' A' ' 26' ' ' LEU . . . -91.11 153.56 19.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.416 0.716 . . . . 1.0 109.297 -164.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.93 -0.45 11.76 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.442 1.089 . . . . 1.0 110.959 171.717 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -47.56 159.73 0.49 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.974 -0.85 . . . . 1.0 110.974 -176.585 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -152.27 171.68 17.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 1.0 111.013 -177.664 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.909 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 47.1 m -89.13 102.4 15.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 1.0 108.286 -172.262 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.499 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -83.29 -167.62 1.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 1.0 111.052 168.098 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.81 88.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 1.0 109.338 -178.056 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.499 ' N ' ' O ' ' A' ' 42' ' ' TYR . 35.2 m-85 49.57 42.66 23.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 1.0 111.044 177.115 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -162.19 146.04 12.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 1.0 109.315 176.328 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 93.7 m -94.52 100.98 12.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 1.0 108.257 -175.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 15.6 t-105 -83.75 113.11 20.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 1.0 107.971 174.253 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 68.1 m -107.23 143.81 34.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.583 1.177 . . . . 1.0 108.268 -178.526 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.6 t -150.92 36.5 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 1.0 110.388 -160.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -153.5 29.01 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 1.0 109.644 171.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.467 ' H ' HD22 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -68.24 -172.44 0.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 1.0 109.35 176.123 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -106.74 -171.75 1.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 1.0 110.972 170.374 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -53.12 -25.52 13.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 1.0 110.336 -178.406 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -91.23 32.69 1.01 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 1.0 110.349 178.647 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.55 100.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 1.0 109.295 164.096 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 31.1 mm -94.0 131.38 41.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 1.0 109.324 163.321 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -127.46 145.55 34.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 1.0 109.281 -175.042 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.549 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 75.4 t90 -57.16 153.17 26.49 Favored Pre-proline 0 C--N 1.326 -0.439 0 N-CA-C 108.01 -1.108 . . . . 1.0 108.01 -172.746 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.549 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.2 Cg_endo -75.06 -174.38 14.04 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 120.981 -2.508 . . . . 1.0 110.966 -16.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.7 152.82 89.19 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 1.0 109.271 154.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -41.61 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.474 1.776 . . . . 1.0 111.045 -156.571 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -147.42 48.71 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 1.0 109.3 179.242 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.7 77.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.075 . . . . 1.0 109.273 166.644 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.61 152.23 42.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 1.0 110.351 -156.407 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 1.0 108.318 171.596 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' LYS . . . . . 0.401 ' NZ ' ' O ' ' A' ' 53' ' ' GLU . 58.1 tttt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.292 -0.633 . . . . 1.0 109.292 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -93.67 153.18 18.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 1.0 110.25 -159.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.459 ' CA ' HG21 ' A' ' 57' ' ' VAL . . . 173.63 -160.33 30.5 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.461 1.1 . . . . 1.0 111.012 165.807 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.587 ' O ' HG22 ' A' ' 57' ' ' VAL . 56.4 m-85 -85.86 111.18 19.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 0.748 . . . . 1.0 110.937 177.567 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.76 164.1 2.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 1.0 109.369 -164.536 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.7 p -123.17 145.81 29.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 1.0 109.297 -167.29 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -87.03 128.62 35.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 1.0 109.343 173.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.7 mttp -70.29 -21.13 62.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 1.0 109.356 -165.101 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -87.94 -74.23 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 1.0 109.322 -175.142 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -92.64 -13.34 29.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 1.0 110.392 -169.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 49.13 44.36 33.44 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.55 1.156 . . . . 1.0 110.963 -171.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -101.6 -3.53 28.23 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.347 -0.983 . . . . 1.0 108.347 179.328 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 71.17 163.68 0.27 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.438 1.086 . . . . 1.0 109.339 170.455 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -110.99 140.82 45.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.428 1.08 . . . . 1.0 110.996 -178.015 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -91.46 175.15 7.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 1.0 110.334 173.751 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.9 p -146.27 159.67 43.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 1.0 108.3 165.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 60.0 mt -73.02 -60.19 2.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 1.0 109.352 -158.449 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.6 mtmm -126.2 137.48 53.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 1.0 109.287 177.745 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.12 128.96 39.63 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.484 1.115 . . . . 1.0 109.271 173.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.74 -25.69 11.58 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 1.0 111.029 -173.441 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -75.2 71.41 2.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 1.0 109.276 -177.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -91.54 40.46 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 1.0 109.265 -168.196 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -105.59 -57.13 2.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 1.0 109.274 -175.246 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -63.0 -38.27 90.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.414 1.071 . . . . 1.0 111.056 177.309 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 86.7 m -65.86 -41.35 91.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 1.0 108.264 -174.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.23 -57.84 9.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 1.0 109.373 177.335 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.1 mtm-85 -54.74 -39.44 68.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.399 1.062 . . . . 1.0 110.328 -174.258 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -63.1 -59.71 4.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 1.0 110.295 -177.11 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -62.04 -27.29 68.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 1.0 108.229 -176.294 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -65.08 -53.91 38.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 1.0 109.323 178.251 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -106.93 50.74 0.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 1.0 110.324 -176.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.475 ' HG3' ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -167.08 -33.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 1.0 110.339 168.598 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.475 ' N ' ' HG3' ' A' ' 32' ' ' GLN . 0.1 OUTLIER -119.83 33.36 5.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 1.0 111.046 172.365 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.53 136.73 9.41 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.514 1.134 . . . . 1.0 110.948 163.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.9 mtmm -79.64 69.98 6.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 0.732 . . . . 1.0 109.303 -168.152 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -169.3 64.7 0.18 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.556 1.16 . . . . 1.0 110.929 165.622 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -101.09 148.98 24.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 0.763 . . . . 1.0 109.266 -168.375 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.52 -0.54 10.19 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.507 1.129 . . . . 1.0 110.968 166.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -49.36 164.69 0.43 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.013 -0.835 . . . . 1.0 111.013 -176.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -155.0 -178.42 7.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 0.764 . . . . 1.0 111.001 -173.001 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 53.4 t -101.26 109.7 21.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 1.0 108.302 -175.664 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.492 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -83.42 -161.23 0.49 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.09 . . . . 1.0 110.947 167.521 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.36 84.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 1.0 109.353 170.514 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.492 ' N ' ' O ' ' A' ' 42' ' ' TYR . 28.3 m-85 54.64 38.1 29.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 1.0 110.975 167.158 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -160.98 153.28 20.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 1.0 109.302 166.375 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 96.8 m -94.19 116.25 28.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 1.0 108.3 -172.308 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 4.9 t-105 -104.79 124.88 50.2 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.964 -1.125 . . . . 1.0 107.964 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 68.4 m -117.25 146.77 43.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 1.0 108.303 -172.134 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.44 ' O ' ' OG1' ' A' ' 49' ' ' THR . 1.3 t -154.41 33.6 0.42 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 1.0 110.38 -159.638 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -159.08 32.94 0.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 1.0 109.582 176.483 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.571 ' H ' HD22 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -73.83 -175.17 2.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 1.0 109.273 172.62 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -107.48 -177.64 3.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 1.0 111.0 164.028 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.401 ' O ' ' NZ ' ' A' ' 1' ' ' LYS . 11.7 pt-20 -58.56 -24.82 61.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 1.0 110.301 -177.078 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -87.48 32.3 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 1.0 110.29 178.544 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.52 131.26 43.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.423 1.077 . . . . 1.0 109.319 146.44 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.6 mp -113.62 126.61 71.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 1.0 109.334 143.062 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.66 HG22 ' H ' ' A' ' 58' ' ' TRP . 1.6 p -83.38 -178.91 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.421 1.076 . . . . 1.0 109.279 -170.21 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.66 ' H ' HG22 ' A' ' 57' ' ' VAL . 73.9 t90 -69.19 154.05 95.36 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 107.994 -1.113 . . . . 1.0 107.994 -163.528 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.53 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.4 Cg_endo -74.96 -166.75 5.09 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 120.97 -2.512 . . . . 1.0 111.038 -18.5 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.85 155.55 82.56 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 1.0 109.305 155.804 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -56.75 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.381 1.727 . . . . 1.0 110.949 170.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.2 p-10 -106.0 8.5 32.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 1.0 109.332 -157.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -163.26 56.7 0.19 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.455 1.097 . . . . 1.0 109.275 177.087 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 52.2 ptt85 -65.85 167.74 9.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 1.0 110.285 173.562 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.58 1.175 . . . . 1.0 108.358 175.306 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 79.2 tttt . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.301 -0.629 . . . . 1.0 109.301 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -98.78 158.37 15.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 1.0 110.324 -164.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 166.31 -161.53 35.19 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.486 1.116 . . . . 1.0 110.968 174.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -77.4 122.85 25.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 0.774 . . . . 1.0 111.015 170.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -60.46 167.37 2.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 1.0 109.283 172.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.9 p -136.64 146.58 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 1.0 109.363 -158.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -75.19 117.93 17.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 1.0 109.258 168.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.5 mmmt -75.92 -11.84 60.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.557 1.161 . . . . 1.0 109.291 -164.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -88.83 -77.9 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 1.0 109.325 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.96 -13.84 35.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.079 . . . . 1.0 110.402 -167.348 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 57.92 45.87 93.15 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.498 1.124 . . . . 1.0 110.992 -175.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m -88.3 154.23 20.57 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.288 -1.005 . . . . 1.0 108.288 163.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -60.38 142.21 55.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 1.0 109.32 -177.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -89.56 115.04 26.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 1.0 110.979 -177.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -96.21 125.84 41.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 1.0 110.396 -167.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -100.62 171.47 7.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 1.0 108.317 176.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.8 mt -80.83 -149.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 1.0 109.31 -173.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.1 ttpt -50.83 127.25 18.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 1.0 109.273 -174.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 pp -61.78 149.54 39.64 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.588 1.18 . . . . 1.0 109.341 -175.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.11 -48.81 1.1 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.531 1.144 . . . . 1.0 111.004 -178.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -71.9 97.96 1.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 0.746 . . . . 1.0 109.314 -169.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -88.74 40.34 0.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 1.0 109.3 -173.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -105.51 -46.11 4.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.459 1.099 . . . . 1.0 109.318 -177.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -72.69 -39.25 67.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 1.0 111.053 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.8 t -55.93 -53.63 54.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 1.0 108.247 175.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.59 -57.79 8.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 1.0 109.302 178.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 -54.12 -47.05 72.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 1.0 110.341 -173.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -63.99 -47.06 81.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.405 1.066 . . . . 1.0 110.267 -171.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -68.39 -27.32 66.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 1.0 108.266 -178.214 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.3 tptt -64.26 -50.09 69.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 1.0 109.306 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -105.7 46.07 0.94 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 1.0 110.336 -172.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -159.86 -40.18 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 1.0 110.31 158.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -105.47 27.11 8.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 1.0 111.011 178.579 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 109.19 142.56 9.78 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.537 1.148 . . . . 1.0 111.027 155.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -77.06 65.28 2.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 0.753 . . . . 1.0 109.332 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -173.11 32.09 0.11 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.569 1.168 . . . . 1.0 110.99 166.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -105.42 173.49 6.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 0.757 . . . . 1.0 109.339 -166.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -160.49 169.05 36.18 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.441 1.088 . . . . 1.0 110.982 174.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.454 ' HA2' HG22 ' A' ' 49' ' ' THR . . . 171.44 -176.91 44.56 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.063 -0.815 . . . . 1.0 111.063 -170.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -156.29 171.09 20.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 0.784 . . . . 1.0 111.039 172.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.2 m -98.59 110.41 23.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 1.0 108.384 -171.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.464 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.7 OUTLIER -82.36 -170.52 2.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 1.0 111.049 162.288 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.85 89.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.093 . . . . 1.0 109.301 177.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.464 ' N ' ' O ' ' A' ' 42' ' ' TYR . 32.7 m-85 52.02 45.84 27.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.434 1.084 . . . . 1.0 111.0 176.007 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -158.99 133.44 7.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 1.0 109.3 176.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.555 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 7.6 t -95.35 102.35 14.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.573 1.171 . . . . 1.0 108.26 -175.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 9.6 t-105 -84.42 117.74 23.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 1.0 107.998 172.128 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.555 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 69.8 m -110.89 145.98 37.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 1.0 108.274 -178.496 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.454 HG22 ' HA2' ' A' ' 39' ' ' GLY . 4.4 t -154.99 64.09 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 1.0 110.436 -154.053 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -176.23 31.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 1.0 109.618 -169.192 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.3 mt -118.26 168.55 10.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 1.0 109.297 -153.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -109.26 179.88 4.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 1.0 111.048 -177.466 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -59.06 -30.11 67.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 1.0 110.251 -177.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -92.15 31.47 1.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 1.0 110.292 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.69 122.51 46.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.449 1.093 . . . . 1.0 109.323 157.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 29.2 mt -92.17 150.68 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 1.0 109.303 168.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -120.49 147.31 24.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.554 1.159 . . . . 1.0 109.359 176.28 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.573 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 66.2 t90 -57.08 153.74 23.14 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 1.0 107.997 -169.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.573 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.3 Cg_endo -75.04 -167.43 5.65 Favored 'Cis proline' 0 C--N 1.359 1.115 0 C-N-CA 121.0 -2.5 . . . . 1.0 111.003 -16.196 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.9 156.74 91.25 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 1.0 109.258 152.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -51.43 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.502 1.791 . . . . 1.0 110.976 172.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.6 p-10 -101.39 5.83 42.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 1.0 109.314 -158.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.5 pttp -169.52 67.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 1.0 109.335 174.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.4 ptm85 -68.14 166.5 16.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 1.0 110.267 165.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.42 106.08 1.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 1.0 108.272 175.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.8 p -73.51 86.59 1.57 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.555 1.16 . . . . 1.0 109.987 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.278 -0.638 . . . . 1.0 109.278 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 31.5 mp0 -134.75 129.38 34.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 1.0 110.339 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -161.04 175.59 37.68 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.444 1.09 . . . . 1.0 110.993 -171.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -72.17 146.98 47.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 0.769 . . . . 1.0 110.996 169.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.574 HD13 ' SG ' ' A' ' 48' ' ' CYS . 1.2 tp -82.49 176.28 9.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.092 . . . . 1.0 109.316 -177.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -155.46 147.63 12.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.464 1.103 . . . . 1.0 109.291 -147.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -98.43 147.26 24.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 1.0 109.279 172.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -89.14 -27.5 20.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 1.0 109.328 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -76.94 -77.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 1.0 109.303 -176.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 70.7 p -84.38 -21.41 30.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 1.0 110.396 -172.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 61.95 28.99 71.26 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.141 . . . . 1.0 111.011 -168.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -117.51 143.61 45.89 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.327 -0.99 . . . . 1.0 108.327 177.54 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.8 tttm 73.23 89.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 1.0 109.264 142.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -138.13 110.38 7.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 1.0 111.046 166.25 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -167.03 169.15 13.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 1.0 110.266 -153.288 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -141.99 143.79 33.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 1.0 108.344 -179.21 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 pp -70.74 132.06 44.78 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 1.0 109.264 178.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt 69.61 144.48 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 1.0 109.299 -176.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -95.22 160.42 14.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 1.0 109.346 175.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.96 -52.25 0.77 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.558 1.161 . . . . 1.0 110.978 175.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -72.28 90.88 1.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.781 . . . . 1.0 109.35 -168.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.0 p-10 -84.66 59.74 5.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.163 . . . . 1.0 109.32 -174.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -107.03 -66.41 1.02 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 1.0 109.292 173.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -60.1 -39.68 87.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 1.0 110.966 -176.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 92.6 m -66.87 -36.69 82.88 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 1.0 108.308 -177.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.26 -48.01 81.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 1.0 109.235 175.155 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -61.98 -41.19 97.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 1.0 110.306 -176.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.16 -47.22 85.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 1.0 110.312 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.9 -46.37 74.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 1.0 108.32 176.165 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -81.9 -14.76 55.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 1.0 109.264 -164.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -107.4 56.19 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 1.0 110.252 164.3 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -177.67 -24.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 1.0 110.304 144.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.567 ' CE1' HD11 ' A' ' 5' ' ' LEU . 90.8 m-85 -107.18 47.04 0.9 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 1.0 110.99 154.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.76 -14.58 10.1 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 1.0 111.015 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.45 68.34 1.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 0.737 . . . . 1.0 109.338 174.376 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.03 27.6 55.86 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.516 1.135 . . . . 1.0 110.887 154.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 33' ' ' TYR . . . -106.04 -177.26 3.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 0.767 . . . . 1.0 109.357 -170.565 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.46 178.33 46.31 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.458 1.099 . . . . 1.0 111.039 -174.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 172.65 178.63 42.88 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.051 -0.82 . . . . 1.0 111.051 -160.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -159.37 179.93 8.52 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.477 0.751 . . . . 1.0 111.062 176.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 56.1 m -99.72 108.45 20.78 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.471 1.107 . . . . 1.0 108.351 -175.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.49 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -83.49 -164.03 0.84 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.572 1.17 . . . . 1.0 110.982 167.017 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.73 86.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 1.0 109.286 176.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.49 ' N ' ' O ' ' A' ' 42' ' ' TYR . 36.8 m-85 51.67 44.04 29.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 1.0 111.013 174.609 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -161.77 150.04 15.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 1.0 109.257 173.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 68.0 m -102.03 106.14 17.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 1.0 108.32 -169.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 17.2 t-105 -95.38 120.79 36.23 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.016 -1.105 . . . . 1.0 108.016 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.574 ' SG ' HD13 ' A' ' 5' ' ' LEU . 39.4 m -98.33 146.01 26.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 1.0 108.317 175.14 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.419 ' O ' ' CG ' ' A' ' 50' ' ' HIS . 1.8 t -148.7 34.17 0.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 1.0 110.383 -166.437 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.419 ' CG ' ' O ' ' A' ' 49' ' ' THR . 87.5 m-70 -155.1 34.3 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 1.0 109.645 171.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.589 ' H ' HD22 ' A' ' 51' ' ' LEU . 0.8 OUTLIER -70.54 176.57 3.99 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.557 1.161 . . . . 1.0 109.346 173.005 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.432 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -108.99 -167.78 1.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 1.0 111.016 166.284 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -49.82 -30.14 9.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 1.0 110.217 177.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -93.73 34.82 1.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 1.0 110.308 -178.729 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.96 121.56 9.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.387 1.054 . . . . 1.0 109.295 155.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.5 mp -111.43 135.12 51.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 1.0 109.274 157.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -139.03 148.62 23.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 1.0 109.309 -166.245 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.501 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 84.9 t90 -74.44 155.26 87.72 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 107.989 -1.115 . . . . 1.0 107.989 -176.138 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.501 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.2 Cg_endo -75.07 -178.12 22.54 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.997 -2.501 . . . . 1.0 110.995 -23.317 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.69 156.34 41.08 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 1.0 109.305 176.173 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -49.54 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.506 1.792 . . . . 1.0 111.03 -171.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.7 p-10 -103.72 4.72 35.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.157 . . . . 1.0 109.293 -162.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.9 ptmt -168.72 64.5 0.06 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.542 1.152 . . . . 1.0 109.311 174.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 50.5 ptt85 -63.87 163.82 11.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 1.0 110.279 166.142 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 8.5 t -55.08 137.61 46.11 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 1.0 108.297 171.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.641 ' HG ' ' N ' ' A' ' 67' ' ' NH2 . 96.3 p -62.83 -62.81 1.47 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.598 1.187 . . . . 1.0 110.036 -175.485 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' NH2 . . . . . 0.641 ' N ' ' HG ' ' A' ' 66' ' ' SER . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.306 -0.627 . . . . 1.0 109.306 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -90.06 150.12 22.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 1.0 110.306 -160.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -178.95 -166.59 35.2 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.472 1.107 . . . . 1.0 111.001 177.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -65.63 166.18 11.15 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.531 0.783 . . . . 1.0 110.992 174.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.435 HD13 ' SG ' ' A' ' 48' ' ' CYS . 3.5 mp -84.45 170.14 13.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.583 1.177 . . . . 1.0 109.242 163.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.8 p -154.69 148.5 12.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 1.0 109.28 -172.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -93.66 124.58 37.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 1.0 109.322 170.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.4 mmtp -65.13 -25.84 67.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 1.0 109.315 -168.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -71.94 -78.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 1.0 109.386 -175.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.6 p -95.15 -20.01 19.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 1.0 110.37 -169.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 64.09 40.29 97.98 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.432 1.083 . . . . 1.0 111.025 -163.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -102.92 -169.68 1.69 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.344 -0.984 . . . . 1.0 108.344 169.131 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.2 mttt 69.76 176.7 0.27 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 1.0 109.306 174.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 48.79 89.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 1.0 111.014 -168.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -158.27 75.0 0.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 1.0 110.273 -169.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.8 t -90.57 90.44 7.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 1.0 108.331 -149.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.2 mt -55.42 140.48 39.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 1.0 109.304 167.017 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.1 tttt 61.51 77.41 0.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 1.0 109.32 -169.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.7 pp -57.1 150.66 16.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 1.0 109.256 170.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 118.72 -55.98 0.58 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.523 1.139 . . . . 1.0 111.012 -178.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.54 95.9 0.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 0.786 . . . . 1.0 109.299 -164.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -96.09 57.27 1.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 1.0 109.293 -173.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -106.01 -68.78 0.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 1.0 109.312 -176.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -68.5 -27.13 65.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 1.0 110.964 177.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.8 t -57.15 -59.08 5.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 1.0 108.3 171.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.56 -45.17 77.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 1.0 109.292 -175.46 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.0 mtt85 -58.94 -56.71 18.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 1.0 110.27 -176.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -64.14 -39.93 95.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 1.0 110.289 -174.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 5.8 t -54.22 -53.09 58.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 1.0 108.326 176.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -68.59 -44.49 74.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 1.0 109.241 -168.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -107.43 48.26 0.85 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 1.0 110.267 -175.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.505 ' HG3' ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -167.56 -34.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 1.0 110.29 160.764 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.505 ' N ' ' HG3' ' A' ' 32' ' ' GLN . 0.1 OUTLIER -118.53 38.64 3.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 1.0 111.0 172.658 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 118.63 132.5 4.56 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.524 1.14 . . . . 1.0 110.989 147.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -81.33 63.12 5.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.751 . . . . 1.0 109.27 -166.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 178.61 -42.5 0.08 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.475 1.11 . . . . 1.0 111.011 -174.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.21 163.97 14.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 0.753 . . . . 1.0 109.303 -175.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -134.15 -171.08 12.46 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.441 1.088 . . . . 1.0 111.013 176.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 174.68 172.01 39.36 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.023 -0.831 . . . . 1.0 111.023 -166.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.417 ' CE2' HG21 ' A' ' 49' ' ' THR . 0.6 OUTLIER -157.6 167.88 28.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 0.769 . . . . 1.0 110.99 174.565 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 6.2 m -81.09 99.98 8.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 1.0 108.364 178.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.504 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -81.5 -158.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 1.0 111.017 170.262 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.44 82.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 1.0 109.3 168.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.504 ' N ' ' O ' ' A' ' 42' ' ' TYR . 62.0 m-85 50.43 52.95 13.78 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.173 . . . . 1.0 110.978 166.357 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -175.32 175.3 2.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.137 . . . . 1.0 109.308 124.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 41.9 t -68.58 101.65 1.32 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 1.0 108.292 -176.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 10.3 t-105 -84.58 116.33 23.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 1.0 107.944 175.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.435 ' SG ' HD13 ' A' ' 5' ' ' LEU . 27.1 m -105.71 142.72 34.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 1.0 108.309 -178.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.417 HG21 ' CE2' ' A' ' 40' ' ' TYR . 1.8 t -148.69 47.99 1.02 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 1.0 110.418 -156.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -167.32 60.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 1.0 109.558 159.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 29.5 mt -104.92 -179.04 3.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 1.0 109.338 -164.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -107.91 -176.61 3.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 1.0 110.996 178.046 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -58.51 -26.98 64.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.1 . . . . 1.0 110.223 -177.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -90.83 29.37 1.35 Allowed 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.557 1.161 . . . . 1.0 110.29 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.58 114.14 7.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 1.0 109.276 162.34 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 8.0 mm -108.26 137.34 40.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.484 1.115 . . . . 1.0 109.309 166.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -133.74 145.27 33.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.536 1.147 . . . . 1.0 109.313 -167.19 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.522 ' CD1' ' HA ' ' A' ' 59' ' ' PRO . 92.5 t90 -58.7 156.35 24.78 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 1.0 108.027 -172.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.522 ' HA ' ' CD1' ' A' ' 58' ' ' TRP . 18.3 Cg_endo -75.06 -164.71 3.74 Favored 'Cis proline' 0 C--N 1.361 1.203 0 C-N-CA 120.952 -2.52 . . . . 1.0 110.998 -23.328 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.71 151.59 55.65 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 1.0 109.348 154.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -45.12 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.543 1.812 . . . . 1.0 110.948 -163.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -97.24 3.39 51.4 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 1.0 109.319 -170.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -160.11 113.39 2.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.095 . . . . 1.0 109.368 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.26 144.75 50.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 1.0 110.302 179.25 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 14.4 t -82.89 147.32 28.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 1.0 108.264 -176.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.562 ' HG ' ' N ' ' A' ' 67' ' ' NH2 . 86.7 p -66.8 -51.33 56.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 1.0 110.001 177.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' NH2 . . . . . 0.562 ' N ' ' HG ' ' A' ' 66' ' ' SER . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.4 tttp . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.334 -0.617 . . . . 1.0 109.334 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -83.83 130.48 34.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.621 1.2 . . . . 1.0 110.279 -161.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -168.92 -174.87 37.88 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.441 1.088 . . . . 1.0 111.033 -177.035 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -76.95 105.41 8.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.761 . . . . 1.0 111.017 166.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.9 142.07 5.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 1.0 109.267 177.654 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.9 p -110.23 154.61 11.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.583 1.177 . . . . 1.0 109.287 176.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -89.56 153.61 20.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 1.0 109.296 176.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.4 mttp -89.34 -26.58 21.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 1.0 109.276 -178.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -92.08 -69.98 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 1.0 109.272 -168.262 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 37.8 p -89.34 -13.32 38.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 1.0 110.327 -177.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 82.72 -11.13 54.26 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.443 1.089 . . . . 1.0 111.05 -171.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 32.1 m -101.74 -84.31 0.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.322 -0.992 . . . . 1.0 108.322 -159.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.535 ' O ' ' C ' ' A' ' 14' ' ' TYR . 1.4 ttmt 58.49 -90.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 1.0 109.284 -170.682 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.535 ' C ' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -21.77 -70.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.564 1.165 . . . . 1.0 110.988 -148.626 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 14' ' ' TYR . 68.9 mm-40 29.02 66.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 1.0 110.292 -171.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.9 t -82.49 133.17 35.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.547 1.154 . . . . 1.0 108.343 166.124 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 78.6 mt -72.16 -24.38 61.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 1.0 109.279 -165.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -148.47 -169.81 3.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 1.0 109.3 177.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -105.96 147.91 28.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 1.0 109.312 165.479 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 118.66 -48.17 0.97 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.526 1.141 . . . . 1.0 110.953 174.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -73.28 93.55 1.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.77 . . . . 1.0 109.3 -169.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -94.65 38.86 1.1 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 1.0 109.29 -169.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -105.16 -50.64 3.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 1.0 109.337 -171.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -73.29 -30.0 63.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 1.0 111.025 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 43.1 t -59.11 -54.51 46.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.466 1.104 . . . . 1.0 108.293 175.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.19 -56.12 18.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 1.0 109.3 178.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.8 mtt85 -56.89 -46.51 81.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 1.0 110.354 -172.446 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -54.05 -61.13 2.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 1.0 110.288 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.2 m -62.79 -27.78 69.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 1.0 108.316 -171.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -66.94 -47.16 72.51 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 1.0 109.319 177.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -92.16 46.92 1.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 1.0 110.312 -177.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -167.99 -39.08 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 1.0 110.301 157.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -118.77 16.34 13.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.498 1.124 . . . . 1.0 110.989 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.58 79.23 0.45 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.547 1.154 . . . . 1.0 110.991 177.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -105.25 -7.1 19.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 1.0 109.299 156.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 159.5 43.71 0.02 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.583 1.177 . . . . 1.0 110.996 178.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -105.18 131.66 52.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 0.729 . . . . 1.0 109.292 -164.009 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.45 -179.5 18.4 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.562 1.164 . . . . 1.0 111.055 163.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 175.76 175.06 42.85 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 111.036 -0.825 . . . . 1.0 111.036 -175.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -154.24 168.23 27.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 0.783 . . . . 1.0 110.993 172.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 m -90.37 106.67 18.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 1.0 108.339 -178.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.52 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -82.5 -161.64 0.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 1.0 111.008 164.312 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.63 87.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 1.0 109.273 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.52 ' N ' ' O ' ' A' ' 42' ' ' TYR . 30.9 m-85 55.92 34.94 24.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.398 1.061 . . . . 1.0 110.961 168.445 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -165.7 166.89 17.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.423 1.077 . . . . 1.0 109.349 166.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.43 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 1.5 t -110.2 106.8 16.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 1.0 108.292 -163.714 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 11.9 t-105 -84.51 120.65 26.57 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.934 -1.136 . . . . 1.0 107.934 172.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.43 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 66.5 m -111.4 144.23 40.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.406 1.066 . . . . 1.0 108.277 178.498 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.404 ' O ' ' CG ' ' A' ' 50' ' ' HIS . 1.1 t -145.19 52.28 1.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 1.0 110.394 -158.403 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.404 ' CG ' ' O ' ' A' ' 49' ' ' THR . 14.6 m-70 -160.79 71.3 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 1.0 109.601 149.289 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 65.2 mt -113.78 158.16 21.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 1.0 109.251 -162.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -108.84 175.53 5.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 1.0 111.001 174.318 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -50.91 -38.77 52.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 1.0 110.31 -178.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -84.35 -2.15 56.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.16 . . . . 1.0 110.33 -167.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.35 116.04 28.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 1.0 109.27 172.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 18.9 mm -98.83 150.55 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 1.0 109.329 -160.137 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -130.38 153.43 38.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 1.0 109.365 -174.004 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.564 ' CD1' ' HA ' ' A' ' 59' ' ' PRO . 48.6 t90 -52.46 159.78 1.53 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 1.0 107.978 -171.322 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.564 ' HA ' ' CD1' ' A' ' 58' ' ' TRP . 18.2 Cg_endo -75.09 -169.5 7.43 Favored 'Cis proline' 0 C--N 1.361 1.189 0 C-N-CA 120.903 -2.54 . . . . 1.0 111.012 -29.44 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -104.17 162.22 20.53 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 1.0 109.349 152.452 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 -54.97 0.08 OUTLIER 'Trans proline' 0 C--N 1.358 1.079 0 O-C-N 124.534 1.807 . . . . 1.0 111.025 -164.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -92.64 1.49 57.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 1.0 109.323 -166.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -164.21 122.44 1.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 1.0 109.35 177.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.26 151.08 50.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.165 . . . . 1.0 110.316 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 11.1 t -55.6 142.97 31.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 1.0 108.291 168.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 71.4 p -68.75 -41.54 78.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 1.0 110.02 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.338 -0.616 . . . . 1.0 109.338 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -80.63 113.27 18.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 1.0 110.272 -154.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 174.4 -176.3 46.74 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.439 1.087 . . . . 1.0 110.993 -169.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -74.24 95.6 2.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 0.756 . . . . 1.0 111.012 -177.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -47.37 139.51 6.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 1.0 109.356 -178.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.443 HG21 ' HG ' ' A' ' 60' ' ' LEU . 9.3 p -107.63 148.25 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 1.0 109.224 -177.514 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -84.3 133.18 34.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 1.0 109.261 -168.016 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -72.92 -25.15 60.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.568 1.167 . . . . 1.0 109.242 -173.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.428 ' HB3' HG23 ' A' ' 10' ' ' THR . 5.2 m-20 -76.29 -83.07 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 1.0 109.282 177.533 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.428 HG23 ' HB3' ' A' ' 9' ' ' ASN . 67.2 p -93.53 -12.33 29.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 1.0 110.367 -164.713 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.83 -1.62 85.8 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.128 . . . . 1.0 111.004 -169.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.461 ' O ' ' C ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -104.33 -82.35 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.254 -1.017 . . . . 1.0 108.254 -176.487 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.531 ' O ' ' N ' ' A' ' 15' ' ' GLU . 68.3 tttt 19.13 -100.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 1.0 109.332 -154.114 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER 21.12 -73.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 1.0 110.993 -130.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 13' ' ' LYS . 11.1 tp10 42.14 86.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.553 1.158 . . . . 1.0 110.312 -167.297 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.953 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 24.4 p -133.62 81.65 1.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.1 . . . . 1.0 108.345 153.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 pp -51.81 147.86 6.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 1.0 109.251 170.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.2 ttpp 62.57 96.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 1.0 109.295 -174.217 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.65 160.79 1.22 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.606 1.191 . . . . 1.0 109.248 173.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.41 -42.72 1.89 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.569 1.168 . . . . 1.0 110.961 178.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -92.31 105.7 17.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 0.785 . . . . 1.0 109.279 -166.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -132.58 91.56 2.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 1.0 109.336 173.006 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -105.28 -52.09 2.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 1.0 109.291 150.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -68.2 -24.23 64.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 1.0 110.978 -171.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.2 m -80.17 -41.3 25.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 1.0 108.283 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.94 -46.88 64.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 1.0 109.315 168.201 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.2 mmm-85 -66.37 -41.57 89.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 1.0 110.261 -178.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -57.87 -54.56 45.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 1.0 110.332 -178.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.97 -39.11 68.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 1.0 108.276 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.7 tttt -65.45 -47.88 74.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 1.0 109.323 -175.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -106.71 45.73 0.96 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.094 . . . . 1.0 110.313 -175.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.408 ' HG3' ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -165.09 -24.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 1.0 110.315 168.335 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.416 ' OH ' ' N ' ' A' ' 56' ' ' ILE . 8.0 m-85 -128.9 66.65 1.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 1.0 110.947 155.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.33 136.74 2.9 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.428 1.08 . . . . 1.0 111.003 150.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -77.03 67.92 3.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.431 0.724 . . . . 1.0 109.303 -175.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -175.68 34.85 0.1 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.564 1.165 . . . . 1.0 110.97 159.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -106.71 179.38 4.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 0.741 . . . . 1.0 109.285 -170.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -169.44 178.68 42.41 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.497 1.123 . . . . 1.0 111.058 -178.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.443 ' HA2' HG22 ' A' ' 49' ' ' THR . . . 173.29 -172.78 45.41 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.027 -0.829 . . . . 1.0 111.027 -167.166 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -158.01 167.48 29.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 0.762 . . . . 1.0 110.991 166.029 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 44.8 t -89.28 105.24 17.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 1.0 108.272 -176.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.541 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -82.69 -161.93 0.53 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.61 1.194 . . . . 1.0 110.99 165.445 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.03 87.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 1.0 109.266 -176.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.541 ' N ' ' O ' ' A' ' 42' ' ' TYR . 5.2 m-85 60.85 26.09 15.97 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.593 1.183 . . . . 1.0 110.972 168.097 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 44' ' ' PHE . . . -176.12 157.36 1.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 1.0 109.262 167.177 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.953 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 91.0 m -111.53 118.21 35.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 1.0 108.274 -149.572 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 4.0 t-105 -84.54 119.84 25.65 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.039 -1.097 . . . . 1.0 108.039 177.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.454 ' CB ' HD11 ' A' ' 51' ' ' LEU . 9.4 m -90.82 148.15 22.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 1.0 108.279 176.248 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.443 HG22 ' HA2' ' A' ' 39' ' ' GLY . 2.6 t -155.1 43.39 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 1.0 110.395 -169.412 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.4 ' CG ' ' O ' ' A' ' 49' ' ' THR . 73.2 m-70 -152.0 67.31 0.86 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 1.0 109.592 161.492 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.454 HD11 ' CB ' ' A' ' 48' ' ' CYS . 84.4 mt -124.94 172.74 9.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 1.0 109.28 -163.236 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -107.79 173.39 6.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 1.0 111.069 169.017 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -58.39 -24.42 59.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 1.0 110.291 -172.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -112.86 45.07 1.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 1.0 110.287 -176.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 1' ' ' LYS . . . -107.48 109.47 21.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 1.0 109.339 156.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.416 ' N ' ' OH ' ' A' ' 33' ' ' TYR . 36.7 mm -76.61 143.18 13.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.563 1.164 . . . . 1.0 109.3 -168.295 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -124.2 152.39 29.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 1.0 109.31 -176.669 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.585 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 87.4 t90 -49.88 151.46 3.24 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 1.0 108.019 -168.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.585 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.2 Cg_endo -75.04 178.82 33.03 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 120.937 -2.526 . . . . 1.0 111.039 -14.766 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.443 ' HG ' HG21 ' A' ' 6' ' ' VAL . 16.3 mt -67.26 169.92 7.63 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 1.0 109.344 157.674 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -67.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.501 1.79 . . . . 1.0 111.044 154.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.6 p-10 -98.77 2.03 46.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 1.0 109.304 -141.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.4 pttp -175.51 67.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 1.0 109.295 173.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -77.97 156.84 29.96 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.542 1.151 . . . . 1.0 110.263 177.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 10.9 t -62.44 131.79 50.37 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.474 1.109 . . . . 1.0 108.353 176.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.717 ' HG ' ' N ' ' A' ' 67' ' ' NH2 . 90.8 p -62.64 -72.75 0.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 1.0 110.006 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' NH2 . . . . . 0.717 ' N ' ' HG ' ' A' ' 66' ' ' SER . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.1 tptp . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.256 -0.646 . . . . 1.0 109.256 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.67 -175.22 5.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 1.0 110.345 -155.054 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.613 ' O ' ' CE3' ' A' ' 47' ' ' TRP . . . 156.08 -40.21 0.58 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.421 1.076 . . . . 1.0 111.029 164.49 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 162.67 96.69 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 0.753 . . . . 1.0 110.984 -167.691 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.45 144.14 13.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 1.0 109.286 176.504 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.6 p -122.45 148.91 25.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 1.0 109.335 -166.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -71.08 119.23 14.9 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.468 1.105 . . . . 1.0 109.291 169.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -78.33 -7.86 57.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 1.0 109.299 -160.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -94.6 -76.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 1.0 109.308 179.243 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.39 -18.27 27.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 1.0 110.378 -169.248 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 60.9 38.98 96.28 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.505 1.128 . . . . 1.0 110.999 -170.181 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -101.4 -175.77 2.95 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.27 -1.011 . . . . 1.0 108.27 -177.152 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.9 ptmm? -56.59 154.95 8.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 1.0 109.302 175.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -126.49 -43.51 1.75 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 1.0 111.023 171.494 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 66.34 86.06 0.14 Allowed 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.424 1.078 . . . . 1.0 110.323 156.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.7 p -73.76 -25.58 60.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.398 1.061 . . . . 1.0 108.331 -175.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.0 mt 62.7 160.97 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 1.0 109.302 -172.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.1 tttm 56.28 74.17 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 1.0 109.311 171.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 pp -57.0 143.42 38.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 1.0 109.305 -175.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.73 -45.52 1.31 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.528 1.142 . . . . 1.0 111.019 -175.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -71.69 88.82 0.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 0.782 . . . . 1.0 109.288 -169.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -90.24 60.14 4.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 1.0 109.297 -174.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -105.38 -68.12 0.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 1.0 109.299 177.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -68.26 -27.53 66.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 1.0 110.997 -172.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 87.0 m -66.78 -42.49 85.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.399 1.062 . . . . 1.0 108.312 174.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.37 -42.77 92.4 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.502 1.126 . . . . 1.0 109.282 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 -59.06 -47.61 84.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 1.0 110.317 -178.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -60.89 -54.56 43.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 1.0 110.252 177.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -53.11 -36.19 60.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 1.0 108.235 -177.506 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.25 -60.54 3.59 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.484 1.115 . . . . 1.0 109.282 -178.737 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -91.67 45.11 1.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 1.0 110.333 -169.687 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -159.6 -41.94 0.05 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 1.0 110.294 149.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -101.38 -5.32 25.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 1.0 110.967 -174.114 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.07 78.91 0.77 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.484 1.115 . . . . 1.0 110.954 -169.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -107.23 49.71 0.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 0.728 . . . . 1.0 109.373 158.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.38 12.45 63.03 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 1.0 110.971 -172.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.36 176.32 9.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 0.734 . . . . 1.0 109.29 -178.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -155.53 171.24 33.57 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.472 1.108 . . . . 1.0 111.032 -177.114 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.42 160.52 24.31 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.056 -0.817 . . . . 1.0 111.056 -172.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.1 p90 -149.78 179.1 8.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.506 0.768 . . . . 1.0 111.024 -171.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 45.3 t -102.15 107.69 18.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 1.0 108.307 -174.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.497 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -82.45 -161.54 0.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 1.0 111.035 171.125 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.72 85.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 1.0 109.272 174.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.497 ' N ' ' O ' ' A' ' 42' ' ' TYR . 5.3 m-85 55.77 37.73 29.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 1.0 111.036 171.244 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -166.33 151.66 8.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 1.0 109.275 175.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 95.0 m -87.38 144.63 26.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 1.0 108.343 -176.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.613 ' CE3' ' O ' ' A' ' 3' ' ' GLY . 1.5 t-105 -128.87 127.42 41.8 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.014 -1.106 . . . . 1.0 108.014 167.539 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.473 ' CB ' HD21 ' A' ' 51' ' ' LEU . 8.9 m -106.5 134.76 49.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 1.0 108.291 177.279 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.44 ' O ' ' OG1' ' A' ' 49' ' ' THR . 1.1 t -131.06 30.48 4.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 1.0 110.389 -153.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -174.63 42.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 1.0 109.58 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.66 ' N ' HD13 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -82.32 176.28 9.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 1.0 109.324 164.663 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.49 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -107.82 -166.19 1.12 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.543 1.152 . . . . 1.0 111.005 -170.941 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -43.6 -30.7 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 1.0 110.308 175.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -100.14 38.26 1.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 1.0 110.3 -177.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.41 101.67 0.78 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 1.0 109.332 164.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 22.3 mm -88.56 117.98 33.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.447 1.092 . . . . 1.0 109.257 165.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -117.89 146.22 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 1.0 109.294 -175.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.552 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 42.5 t90 -59.03 152.47 50.54 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.492 1.12 . . . . 1.0 108.072 -166.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.552 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.1 Cg_endo -75.0 -162.46 2.79 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 120.973 -2.511 . . . . 1.0 110.986 -14.64 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.21 147.57 83.11 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 1.0 109.259 154.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -58.85 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.799 . . . . 1.0 111.027 -157.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -111.16 23.9 13.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.565 1.165 . . . . 1.0 109.271 -172.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.66 58.3 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 1.0 109.284 166.224 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.81 160.3 20.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 1.0 110.268 174.033 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 11.9 t -66.74 147.17 53.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 1.0 108.242 -172.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.743 ' HG ' ' N ' ' A' ' 67' ' ' NH2 . 96.2 p -59.27 -68.09 0.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 1.0 109.972 177.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' NH2 . . . . . 0.743 ' N ' ' HG ' ' A' ' 66' ' ' SER . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.5 pttt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.292 -0.633 . . . . 1.0 109.292 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -115.4 -173.68 2.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 1.0 110.321 -176.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 153.03 -167.29 31.7 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.48 1.112 . . . . 1.0 110.952 158.047 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -66.62 102.4 0.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 0.795 . . . . 1.0 110.95 171.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.641 ' C ' HD23 ' A' ' 5' ' ' LEU . 1.0 OUTLIER -44.11 139.46 2.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 1.0 109.306 168.064 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.568 HG21 ' HG ' ' A' ' 60' ' ' LEU . 13.4 p -111.54 143.3 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 1.0 109.35 -176.054 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.85 134.94 47.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 1.0 109.296 -173.259 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.45 6.9 46.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 1.0 109.274 -160.325 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -100.63 -72.34 0.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 1.0 109.273 169.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.72 -17.6 14.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.113 . . . . 1.0 110.373 -169.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.8 35.28 89.43 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.524 1.14 . . . . 1.0 110.972 -171.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.86 95.3 5.7 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.255 -1.017 . . . . 1.0 108.255 -175.259 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.6 tttt 77.77 148.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 1.0 109.317 162.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.501 ' CE1' HD22 ' A' ' 5' ' ' LEU . 22.4 t80 -154.42 68.35 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 1.0 110.957 174.187 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -126.96 159.46 33.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.135 . . . . 1.0 110.312 -163.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.5 m -108.42 171.29 7.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 1.0 108.304 -173.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 67.8 mt -77.53 -50.75 11.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 1.0 109.366 176.089 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -130.7 171.08 13.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 1.0 109.235 171.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.7 pp -84.98 145.15 27.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 1.0 109.295 174.157 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.99 -7.31 73.24 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.536 1.148 . . . . 1.0 111.004 -177.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -79.58 56.43 2.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 0.729 . . . . 1.0 109.277 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 22.2 p-10 -89.66 46.02 1.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 1.0 109.327 -157.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.38 -60.7 1.62 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 1.0 109.311 175.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -59.54 -36.27 75.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 1.0 110.982 -178.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 60.3 m -63.84 -51.73 63.32 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.566 1.167 . . . . 1.0 108.248 -179.075 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.33 -49.78 75.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 1.0 109.311 178.32 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.1 mtm180 -66.2 -44.63 83.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 1.0 110.295 -165.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -65.32 -40.33 93.58 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.552 1.158 . . . . 1.0 110.317 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -59.19 -36.61 75.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 1.0 108.323 172.016 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -77.64 -20.06 54.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 1.0 109.304 -172.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -100.53 44.57 1.01 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 1.0 110.319 174.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -174.98 -25.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.443 1.09 . . . . 1.0 110.294 153.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -111.26 45.42 1.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 1.0 111.023 158.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -46.74 -25.67 2.36 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.415 1.072 . . . . 1.0 110.941 172.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -73.57 67.82 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 1.0 109.316 175.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.9 67.47 1.48 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.503 1.127 . . . . 1.0 110.991 165.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -107.13 138.68 42.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.76 . . . . 1.0 109.273 169.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -134.03 -1.38 3.67 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.446 1.091 . . . . 1.0 110.975 -174.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.05 -171.88 3.1 Favored Glycine 0 CA--C 1.531 1.08 0 N-CA-C 110.964 -0.855 . . . . 1.0 110.964 -173.068 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -169.72 179.3 3.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 0.788 . . . . 1.0 110.98 -154.326 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 56.3 m -97.09 107.7 20.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.167 . . . . 1.0 108.276 -178.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.491 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -82.91 -164.48 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 1.0 110.985 169.615 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.24 88.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 1.0 109.279 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.491 ' N ' ' O ' ' A' ' 42' ' ' TYR . 37.2 m-85 53.44 40.4 31.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 1.0 111.004 172.417 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -161.85 145.42 12.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 1.0 109.323 166.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 86.2 m -88.5 130.13 35.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 1.0 108.325 175.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 2.9 t-105 -129.62 132.28 46.7 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.949 -1.13 . . . . 1.0 107.949 -178.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 66.9 m -103.74 143.5 32.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 1.0 108.278 -179.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 t -155.31 60.77 0.63 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 1.0 110.39 -162.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -175.05 38.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 1.0 109.639 -175.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.7 mt -113.98 170.09 8.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 1.0 109.307 -158.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -108.66 -173.87 2.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 1.0 111.032 174.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -58.86 -22.58 59.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 1.0 110.326 -175.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -92.35 33.95 1.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 1.0 110.299 175.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.83 127.64 32.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 1.0 109.291 159.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.6 mm -114.07 122.07 67.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 1.0 109.268 170.276 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -134.36 149.24 29.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 1.0 109.376 -169.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.531 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 73.3 t90 -60.1 152.16 62.88 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.573 1.171 . . . . 1.0 107.982 -166.14 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.531 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.0 Cg_endo -75.05 -177.26 20.01 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.037 -2.485 . . . . 1.0 110.958 -16.078 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.568 ' HG ' HG21 ' A' ' 6' ' ' VAL . 2.3 mt -75.03 150.75 85.94 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 1.0 109.292 166.129 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -34.55 3.83 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.475 1.776 . . . . 1.0 111.012 -155.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -148.65 49.58 1.01 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.556 1.16 . . . . 1.0 109.274 172.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.42 59.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 1.0 109.348 167.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.0 ptt-85 -66.91 171.68 5.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 1.0 110.306 173.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 5.8 t -65.37 143.52 57.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 1.0 108.259 167.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.745 ' HG ' ' N ' ' A' ' 67' ' ' NH2 . 98.1 p -54.98 -67.03 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 1.0 110.023 -174.617 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' NH2 . . . . . 0.745 ' N ' ' HG ' ' A' ' 66' ' ' SER . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.338 -0.616 . . . . 1.0 109.338 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.522 ' HA ' HD12 ' A' ' 51' ' ' LEU . 24.9 mt-10 -126.49 152.68 46.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 1.0 110.334 169.495 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 166.96 -166.19 39.0 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.573 1.17 . . . . 1.0 111.006 -171.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -77.69 126.56 31.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 0.793 . . . . 1.0 111.042 -175.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -63.01 162.44 11.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 1.0 109.315 -175.009 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -137.33 144.68 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 1.0 109.319 -169.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -78.25 129.31 34.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 1.0 109.313 173.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.52 -21.91 61.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 1.0 109.238 -174.69 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -79.2 -80.64 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 1.0 109.287 -178.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 73.6 p -84.18 -21.87 31.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 1.0 110.411 -168.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 51.49 40.22 46.47 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.501 1.126 . . . . 1.0 111.049 -166.45 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -93.72 157.34 16.21 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.249 -1.019 . . . . 1.0 108.249 177.139 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -58.69 132.28 53.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 1.0 109.33 -167.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -125.89 125.42 42.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 1.0 111.019 -176.227 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -154.93 172.2 18.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 1.0 110.367 -157.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.1 t -82.13 -46.73 13.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 1.0 108.267 -168.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 24.7 mt 59.21 122.41 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 1.0 109.316 -143.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.7 tttm 66.14 101.54 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 1.0 109.344 -175.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.38 167.2 7.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.583 1.177 . . . . 1.0 109.356 175.731 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.82 -58.05 0.64 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.108 . . . . 1.0 110.941 173.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -73.83 93.97 2.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.529 0.782 . . . . 1.0 109.337 -165.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -84.18 50.68 1.9 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 1.0 109.278 -173.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -106.63 -56.62 2.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.555 1.159 . . . . 1.0 109.25 -175.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -74.39 -30.98 62.18 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.488 1.118 . . . . 1.0 110.98 -179.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 81.7 m -59.76 -45.36 92.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 1.0 108.279 174.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.99 -47.8 83.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.388 1.055 . . . . 1.0 109.288 -179.181 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.1 mtt85 -58.42 -51.45 69.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 1.0 110.285 -175.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -67.03 -40.61 87.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 1.0 110.278 -173.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -56.26 -42.71 77.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 1.0 108.289 173.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -65.88 -55.14 18.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 1.0 109.35 -172.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -98.94 47.42 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 1.0 110.332 -175.161 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.401 ' HG3' ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -167.6 -26.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 1.0 110.313 165.58 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.401 ' N ' ' HG3' ' A' ' 32' ' ' GLN . 1.8 m-85 -122.76 66.84 0.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 1.0 110.981 155.496 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.56 140.08 8.33 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.512 1.133 . . . . 1.0 111.056 145.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -74.05 65.18 1.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.582 0.813 . . . . 1.0 109.297 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -166.83 -54.27 0.03 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.522 1.139 . . . . 1.0 110.997 176.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.07 177.81 3.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 0.76 . . . . 1.0 109.253 -156.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -159.63 -173.95 28.76 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.477 1.11 . . . . 1.0 111.075 -176.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.27 -178.09 48.28 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.079 -0.808 . . . . 1.0 111.079 -154.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.479 ' CE2' HG21 ' A' ' 49' ' ' THR . 1.7 p90 -159.1 170.05 22.87 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.528 0.781 . . . . 1.0 111.08 172.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 87.6 m -95.38 105.08 17.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 1.0 108.255 -172.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.485 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -83.64 -170.19 2.94 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.531 1.145 . . . . 1.0 110.983 167.855 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.08 89.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 1.0 109.347 -178.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.485 ' N ' ' O ' ' A' ' 42' ' ' TYR . 45.9 m-85 49.8 47.26 23.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 1.0 110.999 177.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -162.47 145.13 11.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 1.0 109.282 164.18 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 35.0 m -99.81 104.38 16.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 1.0 108.342 -173.079 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 4.2 t-105 -87.7 121.73 30.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 1.0 108.003 -177.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.671 ' HB3' HD11 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -89.95 143.98 26.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 1.0 108.299 169.804 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.479 HG21 ' CE2' ' A' ' 40' ' ' TYR . 2.1 t -144.52 36.92 1.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 1.0 110.451 -170.161 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.413 ' CG ' ' O ' ' A' ' 49' ' ' THR . 99.4 m-70 -151.22 61.94 0.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 1.0 109.623 168.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.671 HD11 ' HB3' ' A' ' 48' ' ' CYS . 23.0 mt -114.37 167.17 10.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 1.0 109.307 -167.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -108.45 -179.72 3.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 1.0 110.945 163.73 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -62.4 -23.54 66.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 1.0 110.3 -175.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -93.94 34.63 1.21 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.508 1.13 . . . . 1.0 110.331 177.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.06 123.29 47.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 1.0 109.271 150.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 53.4 mt -86.07 151.48 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.163 . . . . 1.0 109.257 165.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -122.02 143.27 35.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.414 1.072 . . . . 1.0 109.332 176.711 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.554 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 46.9 t90 -54.27 151.23 13.88 Favored Pre-proline 0 C--N 1.326 -0.446 0 N-CA-C 107.971 -1.122 . . . . 1.0 107.971 -159.617 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.554 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.2 Cg_endo -75.01 -160.81 2.3 Favored 'Cis proline' 0 C--N 1.361 1.187 0 C-N-CA 120.953 -2.52 . . . . 1.0 110.979 -13.056 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.5 156.72 91.5 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.486 1.116 . . . . 1.0 109.303 151.637 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -55.54 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.528 1.804 . . . . 1.0 111.014 167.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -102.55 7.64 40.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 1.0 109.288 -156.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -163.69 57.26 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 1.0 109.296 175.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.6 ptt85 -64.98 166.62 8.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 1.0 110.31 173.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.1 t -68.14 154.93 40.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 1.0 108.228 -175.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 78.5 p -71.93 86.49 1.0 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 1.0 109.991 177.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 19.4 ttpt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.341 -0.614 . . . . 1.0 109.341 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -93.93 158.11 15.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 1.0 110.256 -158.073 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 171.53 -167.67 40.76 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.465 1.103 . . . . 1.0 111.029 -178.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -77.62 105.64 8.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 0.747 . . . . 1.0 110.957 176.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -52.45 145.39 11.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 1.0 109.319 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.592 HG21 ' HG ' ' A' ' 60' ' ' LEU . 9.2 p -109.81 154.78 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.588 1.18 . . . . 1.0 109.267 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -86.06 157.84 19.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 1.0 109.325 179.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -105.05 -31.87 8.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 1.0 109.327 171.158 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.2 -66.96 0.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 1.0 109.316 -170.48 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 28.3 p -84.82 -28.59 26.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 1.0 110.376 174.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.47 19.67 73.43 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 1.0 110.993 -174.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -104.23 168.58 9.01 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.262 -1.014 . . . . 1.0 108.262 -169.11 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.8 tttt -60.47 136.24 57.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.401 1.063 . . . . 1.0 109.274 167.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -57.12 -46.98 82.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.158 . . . . 1.0 111.001 178.061 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 62.46 78.22 0.3 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.153 . . . . 1.0 110.334 -175.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 22.6 t -68.16 157.57 35.08 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 1.0 108.297 -174.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.77 -168.25 0.18 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.451 1.094 . . . . 1.0 109.297 -179.222 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -39.59 128.14 1.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 1.0 109.337 173.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 pp -67.69 158.55 32.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 1.0 109.305 -172.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.97 -41.61 2.14 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.471 1.107 . . . . 1.0 110.982 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -75.57 88.59 2.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.777 . . . . 1.0 109.316 -172.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -94.02 50.86 1.45 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.54 1.15 . . . . 1.0 109.279 -169.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -105.25 -58.12 1.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 1.0 109.315 -177.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -73.46 -30.29 63.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 1.0 111.002 -177.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.9 t -57.02 -55.17 38.12 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.496 1.122 . . . . 1.0 108.324 170.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.76 -49.23 75.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.594 1.184 . . . . 1.0 109.36 -177.339 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.2 mtt85 -55.34 -51.44 66.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 1.0 110.286 -175.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -65.11 -47.7 76.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 1.0 110.325 -173.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.0 t -54.55 -43.11 71.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 1.0 108.231 178.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.6 ttmt -67.2 -53.39 30.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 1.0 109.336 -174.5 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -99.88 49.15 0.92 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 1.0 110.271 -176.417 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.458 ' HG3' ' N ' ' A' ' 33' ' ' TYR . 0.1 OUTLIER -165.4 -32.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 1.0 110.272 164.83 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.458 ' N ' ' HG3' ' A' ' 32' ' ' GLN . 0.1 OUTLIER -119.09 38.62 3.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 1.0 111.017 171.536 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.62 136.62 8.6 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.604 1.19 . . . . 1.0 110.976 156.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -78.3 64.6 3.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 0.774 . . . . 1.0 109.252 -169.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -178.31 -39.52 0.06 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.501 1.125 . . . . 1.0 110.967 -177.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.2 171.44 1.33 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 0.802 . . . . 1.0 109.328 178.052 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -159.88 -168.75 22.29 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.493 1.121 . . . . 1.0 111.015 -176.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.411 ' HA2' HG22 ' A' ' 49' ' ' THR . . . 170.21 -175.02 44.3 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.966 -0.854 . . . . 1.0 110.966 -165.421 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -159.93 167.66 27.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 0.756 . . . . 1.0 110.907 171.583 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 16.7 t -89.06 101.89 14.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 1.0 108.33 -171.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.537 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -82.92 -165.16 1.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 1.0 111.01 172.499 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.23 85.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 1.0 109.273 -179.095 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.537 ' N ' ' O ' ' A' ' 42' ' ' TYR . 47.1 m-85 45.64 47.24 11.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 1.0 111.05 -179.15 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -160.52 139.1 10.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 1.0 109.251 168.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 15.0 t -90.42 102.01 14.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 1.0 108.287 -173.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 12.9 t-105 -84.73 114.87 22.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 1.0 107.997 -179.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 29.2 m -96.29 146.16 24.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 1.0 108.299 176.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.418 ' O ' ' CG ' ' A' ' 50' ' ' HIS . 7.7 t -154.81 45.1 0.51 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 1.0 110.383 -161.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.418 ' CG ' ' O ' ' A' ' 49' ' ' THR . 12.3 m-70 -165.24 59.48 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 1.0 109.596 164.654 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.4 mt -108.11 -177.24 3.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 1.0 109.324 -171.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -107.94 -177.02 3.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 1.0 111.007 167.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -63.37 -20.09 65.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.403 1.064 . . . . 1.0 110.345 -174.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -86.74 17.0 4.23 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 1.0 110.315 178.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.52 133.54 55.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.152 . . . . 1.0 109.245 163.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 8.8 mm -118.43 138.46 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 1.0 109.297 162.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -132.34 145.26 34.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 1.0 109.354 -174.669 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.544 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 78.1 t90 -60.61 151.59 70.42 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 1.0 107.969 -164.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.544 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.2 Cg_endo -75.04 -179.4 26.56 Favored 'Cis proline' 0 C--N 1.362 1.249 0 C-N-CA 120.998 -2.501 . . . . 1.0 110.992 -15.425 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.592 ' HG ' HG21 ' A' ' 6' ' ' VAL . 1.0 OUTLIER -68.92 147.73 97.85 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 1.0 109.268 173.697 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -35.12 3.29 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.46 1.769 . . . . 1.0 111.032 -147.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -144.71 56.17 1.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 1.0 109.301 171.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.99 162.34 7.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 1.0 109.331 169.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -117.46 165.8 13.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 1.0 110.284 -167.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 48.5 t -54.76 131.74 44.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 1.0 108.252 174.042 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.687 ' HG ' ' N ' ' A' ' 67' ' ' NH2 . 87.8 p -58.95 -72.18 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 1.0 109.948 177.318 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' NH2 . . . . . 0.687 ' N ' ' HG ' ' A' ' 66' ' ' SER . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.325 -0.62 . . . . 1.0 109.325 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -84.06 167.47 16.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.571 1.169 . . . . 1.0 110.287 -158.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 159.47 -158.75 29.88 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.53 1.144 . . . . 1.0 111.034 177.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -78.38 122.51 25.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.773 . . . . 1.0 111.052 -177.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.82 160.71 5.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.145 . . . . 1.0 109.326 -169.166 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.651 HG21 ' HG ' ' A' ' 60' ' ' LEU . 13.1 p -130.8 150.41 34.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 1.0 109.279 175.493 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -79.11 148.53 32.35 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.547 1.154 . . . . 1.0 109.327 171.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.6 mmtp -92.19 -16.05 26.76 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.561 1.163 . . . . 1.0 109.331 -172.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -98.5 -73.09 0.63 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.458 1.099 . . . . 1.0 109.281 -174.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -84.42 -12.99 53.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 1.0 110.392 -174.395 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 56.78 33.91 64.05 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.594 1.183 . . . . 1.0 111.034 178.399 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.12 143.12 33.73 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.225 -1.028 . . . . 1.0 108.225 179.173 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.416 ' NZ ' ' OE1' ' A' ' 15' ' ' GLU . 20.7 pttp -65.46 162.11 18.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 1.0 109.281 176.782 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -101.47 -36.36 8.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.592 1.183 . . . . 1.0 110.961 -175.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.416 ' OE1' ' NZ ' ' A' ' 13' ' ' LYS . 34.4 tt0 63.16 87.71 0.1 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.458 1.099 . . . . 1.0 110.216 170.386 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.4 t -75.41 88.64 2.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 1.0 108.346 176.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.1 pp -50.76 145.49 6.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 1.0 109.295 167.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.5 tttp 61.95 89.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 1.0 109.318 -170.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.1 pp -61.55 159.51 12.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 1.0 109.294 172.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.89 -59.85 0.65 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 1.0 110.986 176.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -69.9 93.63 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.421 0.718 . . . . 1.0 109.297 -166.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.7 p-10 -85.67 62.38 7.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 1.0 109.28 -175.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -105.87 -66.05 1.02 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 1.0 109.319 172.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -62.32 -37.38 85.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 1.0 111.023 -176.056 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 44.9 t -54.65 -57.8 10.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 1.0 108.307 172.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.37 -40.32 74.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 1.0 109.278 -172.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.69 -58.7 5.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.388 1.055 . . . . 1.0 110.305 -178.018 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.99 -39.88 75.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 1.0 110.313 -174.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.7 t -58.07 -47.16 84.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 1.0 108.322 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.4 -35.3 68.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 1.0 109.295 -173.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -107.6 36.18 2.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 1.0 110.255 -170.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.487 ' HG3' ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -162.63 -35.67 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.578 1.174 . . . . 1.0 110.278 170.351 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.487 ' N ' ' HG3' ' A' ' 32' ' ' GLN . 0.1 OUTLIER -108.82 26.7 10.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.564 1.165 . . . . 1.0 110.961 174.913 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 108.62 142.84 10.13 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.508 1.13 . . . . 1.0 111.025 160.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -73.56 66.57 1.03 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 1.0 109.271 -176.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -165.9 -51.75 0.02 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.466 1.104 . . . . 1.0 110.935 177.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.52 174.88 2.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.599 0.823 . . . . 1.0 109.267 -162.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.05 -168.89 15.11 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.537 1.148 . . . . 1.0 110.982 177.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 173.62 179.51 44.32 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.0 -0.84 . . . . 1.0 111.0 -161.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.497 ' CE2' HG21 ' A' ' 49' ' ' THR . 0.7 OUTLIER -157.56 166.55 32.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 0.768 . . . . 1.0 111.004 171.411 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 96.1 m -87.32 104.19 16.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.416 1.072 . . . . 1.0 108.3 -175.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.489 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.2 OUTLIER -83.82 -172.85 4.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.399 1.062 . . . . 1.0 110.995 162.022 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.69 90.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 1.0 109.249 -172.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.489 ' N ' ' O ' ' A' ' 42' ' ' TYR . 25.9 m-85 54.02 40.66 31.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 1.0 110.983 174.479 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -162.5 135.91 6.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 1.0 109.304 167.138 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.2 t -85.09 109.77 18.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 1.0 108.375 -177.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 2.9 t-105 -86.06 122.12 29.63 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.952 -1.129 . . . . 1.0 107.952 175.187 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 23.0 m -99.27 139.16 35.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 1.0 108.285 174.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.497 HG21 ' CE2' ' A' ' 40' ' ' TYR . 2.3 t -143.74 46.05 1.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 1.0 110.437 -165.422 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 63.1 t60 -162.74 61.44 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 1.0 109.669 164.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 14.4 mt -108.65 174.56 5.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.407 1.067 . . . . 1.0 109.285 -170.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -106.84 -175.67 2.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.584 1.178 . . . . 1.0 110.962 177.686 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -56.42 -19.75 16.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 1.076 . . . . 1.0 110.277 -174.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.17 32.03 1.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 1.0 110.324 176.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -79.25 102.23 8.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 1.0 109.312 166.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 19.5 mm -98.05 146.66 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 1.0 109.328 163.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -133.35 138.49 51.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 1.0 109.331 -174.29 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.552 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 61.2 t90 -60.77 151.66 71.62 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 1.0 107.958 -155.626 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.552 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.1 Cg_endo -75.05 -164.25 3.53 Favored 'Cis proline' 0 C--N 1.361 1.196 0 C-N-CA 120.927 -2.531 . . . . 1.0 111.002 -14.538 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.651 ' HG ' HG21 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -99.29 158.73 31.71 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 1.0 109.302 160.821 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -50.82 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.473 1.775 . . . . 1.0 110.956 -169.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.0 p-10 -103.58 6.36 37.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 1.0 109.262 -160.254 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -165.05 60.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 1.0 109.323 175.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 50.6 ptt85 -64.03 166.33 7.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 1.0 110.278 170.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.89 144.28 55.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 1.0 108.312 175.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.666 ' HG ' ' N ' ' A' ' 67' ' ' NH2 . 97.9 p -61.49 -63.61 1.22 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 1.0 110.026 -174.333 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' NH2 . . . . . 0.666 ' N ' ' HG ' ' A' ' 66' ' ' SER . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 48.5 pttt . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.345 -0.613 . . . . 1.0 109.345 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -137.7 141.19 41.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 1.0 110.359 -174.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 177.66 -172.38 45.07 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.516 1.135 . . . . 1.0 110.991 -177.025 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.403 ' CE1' ' HB3' ' A' ' 45' ' ' ALA . 70.8 m-85 -75.92 111.65 11.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 0.801 . . . . 1.0 110.967 179.429 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.7 HD22 ' C ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -54.66 161.41 1.51 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 1.0 109.297 -176.732 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.509 ' N ' HD22 ' A' ' 5' ' ' LEU . 9.6 p -134.76 150.33 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 1.0 109.274 -173.671 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.25 120.05 26.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 1.0 109.307 171.05 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.0 mttt -72.32 -9.74 58.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 1.0 109.265 -170.414 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -75.98 -77.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 1.0 109.286 176.059 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.1 p -100.84 -20.96 15.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.387 1.054 . . . . 1.0 110.455 -165.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 57.25 40.0 91.07 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.485 1.115 . . . . 1.0 111.016 -176.068 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -102.89 -1.26 29.89 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.297 -1.001 . . . . 1.0 108.297 -173.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 pttt 72.67 159.83 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.167 . . . . 1.0 109.279 170.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -105.44 -52.78 2.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 1.0 110.959 -174.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 68.53 158.31 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 1.0 110.316 -175.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.149 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 1.6 p -141.88 119.56 11.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.573 1.171 . . . . 1.0 108.3 169.566 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -85.05 50.37 1.93 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 1.0 109.359 -166.6 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -178.84 80.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 1.0 109.315 -164.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.93 152.51 40.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 1.0 109.365 -168.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.2 -53.98 1.83 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.5 1.125 . . . . 1.0 111.05 -173.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -66.04 96.1 0.3 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 0.762 . . . . 1.0 109.287 -168.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -92.44 53.81 2.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 1.0 109.279 -175.053 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -106.16 -61.68 1.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 1.0 109.316 177.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -70.65 -30.98 67.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 1.0 111.001 -176.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 1.149 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 45.7 m -71.59 -31.82 67.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 1.0 108.237 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.45 -50.82 68.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.137 . . . . 1.0 109.312 169.654 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.9 mtt-85 -55.02 -46.95 75.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.422 1.076 . . . . 1.0 110.294 -176.183 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.35 -52.34 65.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 1.0 110.281 179.339 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -54.61 -40.24 68.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.078 . . . . 1.0 108.325 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -77.44 -22.95 50.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 1.0 109.306 -167.611 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -109.75 57.11 0.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 1.0 110.327 169.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -178.12 -24.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.098 . . . . 1.0 110.288 146.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.672 ' CD2' HD22 ' A' ' 51' ' ' LEU . 83.8 m-85 -108.05 46.23 0.97 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 1.0 110.997 155.045 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.27 -7.45 25.51 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.489 1.118 . . . . 1.0 110.986 -178.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -73.69 66.46 1.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 0.759 . . . . 1.0 109.279 172.084 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 64.25 42.02 98.03 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.541 1.151 . . . . 1.0 111.005 162.06 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -106.69 170.08 8.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 1.0 109.278 176.08 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -146.08 -175.41 19.09 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.579 1.174 . . . . 1.0 110.983 168.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.495 ' HA2' HG22 ' A' ' 49' ' ' THR . . . 178.22 179.6 48.24 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.033 -0.827 . . . . 1.0 111.033 -170.335 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.583 ' CE2' HG21 ' A' ' 49' ' ' THR . 2.3 p90 -159.15 174.98 14.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 0.776 . . . . 1.0 110.931 174.376 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 14.1 t -96.37 108.52 21.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 1.0 108.338 -174.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -82.97 -173.13 4.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 1.0 111.007 171.209 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.571 ' O ' ' CG ' ' A' ' 44' ' ' PHE . . . -49.83 -40.29 41.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.105 . . . . 1.0 109.278 -158.214 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.571 ' CG ' ' O ' ' A' ' 43' ' ' ALA . 32.8 m-85 -161.18 71.62 0.41 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 1.0 111.071 156.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' A' ' 44' ' ' PHE . . . -175.09 164.85 3.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 1.0 109.27 156.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.462 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 99.0 m -93.84 104.32 16.39 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.464 1.103 . . . . 1.0 108.257 -171.329 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 7.7 t-105 -93.07 120.63 33.57 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.997 -1.112 . . . . 1.0 107.997 -177.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 33.8 m -101.51 144.31 30.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 1.0 108.321 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.583 HG21 ' CE2' ' A' ' 40' ' ' TYR . 3.0 t -153.1 42.98 0.61 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.464 1.103 . . . . 1.0 110.349 -157.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 16.5 t60 -164.52 56.52 0.14 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.391 1.057 . . . . 1.0 109.628 166.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.672 HD22 ' CD2' ' A' ' 33' ' ' TYR . 11.6 mt -103.81 179.33 4.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 1.0 109.299 -167.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -108.38 -172.23 2.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 1.0 110.956 174.021 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -54.66 -26.52 33.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 1.0 110.332 -177.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -91.38 31.91 1.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.591 1.182 . . . . 1.0 110.331 179.114 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.54 100.11 0.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 1.0 109.355 163.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.6 mm -100.65 138.46 24.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 1.0 109.292 167.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -138.97 143.93 30.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 1.0 109.367 -169.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.545 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 70.3 t90 -59.46 153.16 51.25 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 1.0 108.019 -159.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.545 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.4 Cg_endo -74.98 -160.36 2.17 Favored 'Cis proline' 0 C--N 1.36 1.138 0 C-N-CA 121.024 -2.49 . . . . 1.0 111.016 -16.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.1 154.98 88.53 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 1.0 109.326 153.8 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 -52.3 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.495 1.787 . . . . 1.0 110.97 173.154 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.2 p-10 -107.08 6.99 29.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 1.0 109.3 -159.044 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -164.89 57.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 1.0 109.302 176.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.7 ptt-85 -65.04 165.12 11.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 1.0 110.27 170.273 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.9 t -66.93 136.76 55.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 1.0 108.264 -174.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.691 ' HG ' ' N ' ' A' ' 67' ' ' NH2 . 96.1 p -73.59 -60.32 2.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 1.0 110.03 178.472 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' NH2 . . . . . 0.691 ' N ' ' HG ' ' A' ' 66' ' ' SER . . . . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 58.7 tttp . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.308 -0.627 . . . . 1.0 109.308 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -137.75 156.8 47.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 1.0 110.328 176.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 164.83 -167.68 38.7 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.486 1.116 . . . . 1.0 110.993 155.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -74.77 93.74 2.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.394 0.702 . . . . 1.0 110.969 172.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.53 150.16 3.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 1.0 109.351 -165.059 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.5 p -115.96 152.14 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 1.0 109.276 168.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -87.07 153.12 21.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 1.0 109.342 -172.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.7 mttp -98.92 -4.78 32.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 1.0 109.242 -169.254 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -111.9 -70.63 0.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 1.0 109.278 -175.799 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.2 p -94.09 -6.47 45.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 1.0 110.359 -175.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 59.19 25.14 59.63 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.449 1.093 . . . . 1.0 110.994 -178.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.483 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -120.02 -160.02 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.273 -1.01 . . . . 1.0 108.273 -173.215 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.483 ' HB2' ' O ' ' A' ' 12' ' ' CYS . 49.6 mttm 82.24 -138.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 1.0 109.277 -178.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.482 ' CG ' ' C ' ' A' ' 13' ' ' LYS . 2.2 p90 30.88 63.62 0.19 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 1.0 110.982 -162.25 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -152.65 61.11 0.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 1.0 110.208 172.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.5 p -72.14 146.96 47.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 1.0 108.317 -176.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -68.62 128.73 37.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 1.0 109.251 -177.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 mtmp? 67.24 162.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 1.0 109.337 179.259 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -105.94 148.61 27.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 1.0 109.305 169.193 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.75 -29.86 10.67 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.542 1.151 . . . . 1.0 111.01 177.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.31 80.75 1.85 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 0.749 . . . . 1.0 109.314 -177.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -89.76 39.13 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 1.0 109.33 -168.457 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -103.74 -48.66 3.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 1.0 109.306 172.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -63.92 -32.88 74.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 1.0 110.947 -177.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.4 t -63.58 -56.76 13.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 1.0 108.312 176.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.3 mt -46.65 -50.21 18.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 1.0 109.314 176.105 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 52.1 mtt-85 -55.62 -52.31 64.23 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 1.0 110.339 -175.019 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -63.14 -43.33 98.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 1.0 110.28 -174.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.43 -35.22 71.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 1.0 108.316 177.674 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -69.52 -32.42 71.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 1.0 109.334 -169.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -105.33 43.54 1.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 1.0 110.306 -177.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -166.08 -38.15 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 1.0 110.331 159.237 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -121.77 25.37 9.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.589 1.181 . . . . 1.0 110.94 177.012 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.39 78.98 0.32 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.532 1.145 . . . . 1.0 111.04 176.049 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -106.71 23.87 13.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 0.764 . . . . 1.0 109.288 162.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.88 24.39 30.16 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.542 1.151 . . . . 1.0 111.007 -168.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.02 170.3 16.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.592 0.819 . . . . 1.0 109.257 178.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.94 176.19 21.07 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.434 1.084 . . . . 1.0 110.974 -178.03 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -179.41 177.41 48.29 Favored Glycine 0 CA--C 1.531 1.085 0 N-CA-C 110.998 -0.841 . . . . 1.0 110.998 -177.563 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -153.68 169.36 23.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.581 0.812 . . . . 1.0 110.983 171.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.0 m -93.35 106.03 18.04 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 1.0 108.254 -174.118 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.497 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -82.97 -162.12 0.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 1.0 111.004 167.539 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.2 85.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 1.0 109.317 177.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.497 ' N ' ' O ' ' A' ' 42' ' ' TYR . 53.2 m-85 50.67 49.56 20.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 1.0 110.973 172.485 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -167.52 167.31 13.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 1.0 109.281 157.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 12.5 t -99.04 108.95 21.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 1.0 108.366 -175.064 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 10.6 t-105 -85.22 116.76 23.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 1.0 108.034 168.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 13.1 m -103.44 143.65 32.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 1.0 108.276 177.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 t -145.3 49.45 1.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 1.0 110.289 -162.018 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -170.09 60.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 1.0 109.584 160.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.5 mt -104.68 171.25 7.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 1.0 109.321 -170.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -106.78 -179.5 3.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 1.0 110.993 164.105 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -67.07 -18.51 65.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 1.0 110.292 -173.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -78.4 -2.5 38.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.087 . . . . 1.0 110.228 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -93.44 140.99 28.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 1.0 109.31 171.02 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.8 mt -118.14 151.85 20.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 1.0 109.308 178.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -126.82 148.55 31.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 1.0 109.293 -177.723 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.596 ' CD1' ' HA ' ' A' ' 59' ' ' PRO . 90.5 t90 -57.94 154.29 29.16 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 1.0 108.058 -157.453 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.596 ' HA ' ' CD1' ' A' ' 58' ' ' TRP . 18.2 Cg_endo -75.02 -175.66 16.49 Favored 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 121.018 -2.493 . . . . 1.0 110.996 -18.753 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.1 mt -68.88 154.16 95.21 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 1.0 109.277 154.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -32.15 5.54 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.503 1.791 . . . . 1.0 111.019 -159.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -156.66 54.58 0.54 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 1.0 109.25 169.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.03 59.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 1.0 109.288 167.585 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 28.0 ptt180 -71.7 170.37 13.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 1.0 110.293 173.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 14.5 t -54.3 -53.53 52.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 1.0 108.283 -169.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 25.1 p -67.43 -31.73 72.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 1.0 110.023 -176.077 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.159 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.348 -0.612 . . . . 1.0 109.348 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -114.03 163.77 14.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 1.0 110.352 -170.096 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 168.26 -164.24 37.83 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.426 1.079 . . . . 1.0 111.039 161.17 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -67.69 175.79 2.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.579 0.811 . . . . 1.0 111.076 176.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 mp -106.27 156.32 18.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 1.0 109.317 -178.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.7 p -149.44 140.8 17.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.61 1.194 . . . . 1.0 109.261 -161.287 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -101.65 172.04 7.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 1.0 109.292 175.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -97.91 -14.93 20.38 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.555 1.16 . . . . 1.0 109.36 175.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -80.41 -77.24 0.2 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 1.0 109.365 -176.146 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.1 p -98.78 -18.78 17.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 1.0 110.409 -176.406 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.96 -28.7 11.74 Favored Glycine 0 CA--C 1.528 0.906 0 O-C-N 124.56 1.163 . . . . 1.0 111.023 -168.435 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -53.7 16.74 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.282 -1.007 . . . . 1.0 108.282 -157.504 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.455 ' HG3' ' CD2' ' A' ' 14' ' ' TYR . 10.2 tptt 72.42 -83.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 1.0 109.27 176.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.455 ' CD2' ' HG3' ' A' ' 13' ' ' LYS . 23.3 m-85 -139.6 144.6 37.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 1.0 110.997 -164.365 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -147.38 84.2 1.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 1.0 110.284 172.004 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.5 p -59.6 109.15 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 1.0 108.286 179.322 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.4 mt -80.88 56.73 2.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 1.0 109.358 -172.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 44.2 tptt -174.73 66.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.165 . . . . 1.0 109.342 -169.149 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 pp -61.99 141.94 57.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 1.0 109.352 -173.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.72 -56.18 0.64 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.475 1.11 . . . . 1.0 110.976 -174.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.63 96.25 1.19 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 0.778 . . . . 1.0 109.293 -168.241 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.9 p-10 -89.81 64.89 6.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 1.0 109.319 -176.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -105.66 -64.47 1.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 1.0 109.266 172.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -70.8 -23.55 62.39 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 1.0 111.078 -170.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 98.8 m -74.76 -37.37 62.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 1.0 108.273 176.079 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.61 -16.11 59.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 1.0 109.306 -178.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 50.2 mtt85 -79.81 -46.94 16.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 1.0 110.304 166.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -59.87 -56.67 18.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.412 1.07 . . . . 1.0 110.294 -174.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.2 t -52.49 -38.32 59.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 1.0 108.308 -177.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.98 -54.69 12.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 1.0 109.298 -174.148 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -107.61 50.1 0.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 1.0 110.299 -171.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.501 ' HG3' ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -166.99 -34.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 1.0 110.316 160.035 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.576 ' CD1' HD22 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -112.91 35.5 3.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 1.0 111.066 172.389 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.65 135.81 8.32 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.527 1.142 . . . . 1.0 111.021 156.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -79.74 65.54 4.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 0.767 . . . . 1.0 109.338 -168.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -175.9 -42.92 0.06 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.556 1.16 . . . . 1.0 110.978 -179.3 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.17 159.85 11.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 0.792 . . . . 1.0 109.24 -179.203 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -134.97 -173.56 13.13 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 1.0 111.008 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 174.13 -178.5 45.96 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.01 -0.836 . . . . 1.0 111.01 -164.384 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -161.45 173.86 14.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 0.749 . . . . 1.0 110.988 173.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 40.2 t -96.75 109.37 22.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 1.0 108.286 -172.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.471 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -82.84 -165.8 1.16 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.454 1.096 . . . . 1.0 110.934 168.144 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.28 84.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 1.0 109.299 169.112 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.471 ' N ' ' O ' ' A' ' 42' ' ' TYR . 8.2 m-85 57.48 41.11 26.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 1.0 110.982 167.29 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -161.64 147.34 13.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 1.0 109.293 161.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 96.8 m -86.55 112.21 21.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 1.0 108.304 -177.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 18.7 t-105 -88.36 119.69 29.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 1.0 108.013 172.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.485 ' HB3' HD21 ' A' ' 51' ' ' LEU . 10.8 m -95.48 153.87 17.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 1.0 108.27 173.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.6 t -155.73 57.52 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 1.0 110.402 -174.182 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -176.87 61.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 1.0 109.539 157.137 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.576 HD22 ' CD1' ' A' ' 33' ' ' TYR . 20.6 mt -98.92 -175.38 3.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 1.0 109.29 -166.74 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -106.5 -178.77 3.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 1.0 111.036 172.035 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -68.85 -10.22 55.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 1.0 110.323 -169.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -91.84 30.5 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 1.0 110.264 170.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.31 93.19 3.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 1.0 109.324 166.009 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 25.0 mm -90.02 142.33 13.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 1.0 109.24 155.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -134.95 143.6 36.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 1.0 109.286 -165.557 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.629 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 57.6 t90 -62.81 152.71 81.8 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 1.0 107.993 178.704 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.629 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.3 Cg_endo -74.94 174.5 52.3 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.021 -2.491 . . . . 1.0 111.016 -12.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.6 mt -62.06 152.32 78.01 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 1.0 109.282 158.182 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -38.85 1.38 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.515 1.798 . . . . 1.0 110.984 -156.395 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 37.1 p-10 -134.69 31.65 3.35 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.518 1.136 . . . . 1.0 109.329 -177.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.0 pttm -167.22 58.17 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 1.0 109.299 178.276 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -64.65 163.58 13.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 1.0 110.285 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 48.5 t -58.9 123.86 17.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 1.0 108.289 171.062 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 14.2 p -71.05 87.39 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 1.0 109.95 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 45.8 pttt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.324 -0.621 . . . . 1.0 109.324 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -120.48 154.84 34.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 1.0 110.241 -179.309 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 164.64 -167.39 38.44 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.587 1.18 . . . . 1.0 111.004 161.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -66.06 116.98 7.74 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.447 0.733 . . . . 1.0 111.055 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.08 135.42 25.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 1.0 109.311 168.632 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.3 p -113.16 148.92 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 1.0 109.283 -171.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.23 133.2 37.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 1.0 109.267 170.102 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.2 ttpt -94.03 2.95 55.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 1.0 109.26 -159.238 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -99.69 -72.68 0.66 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 1.0 109.315 177.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.88 -20.02 19.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 1.0 110.376 -171.57 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 70.5 39.45 68.77 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.571 1.169 . . . . 1.0 111.028 -170.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 21.2 m -81.97 -85.7 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.344 -0.984 . . . . 1.0 108.344 175.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt -176.99 178.99 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 1.0 109.278 -176.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -106.75 -38.16 6.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 1.0 111.006 155.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 66.09 96.67 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 1.0 110.302 169.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 40.1 t -71.91 132.59 44.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 1.0 108.284 -174.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 pp -63.08 101.46 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 1.0 109.299 167.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? 69.52 120.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 1.0 109.297 176.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.94 158.87 15.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.145 . . . . 1.0 109.269 175.04 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.5 -42.37 1.91 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.465 1.103 . . . . 1.0 110.996 172.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -74.72 79.38 2.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 1.0 109.221 -173.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -88.14 49.12 1.74 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 1.0 109.364 -168.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -106.51 -49.62 3.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 1.0 109.269 171.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -64.6 -42.34 95.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.119 . . . . 1.0 110.96 -173.263 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.909 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 96.7 m -66.89 -43.32 83.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 1.0 108.305 -179.438 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.44 HD21 ' O ' ' A' ' 37' ' ' ALA . 0.2 OUTLIER -59.02 -42.23 89.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 1.0 109.264 176.385 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -66.88 -40.14 87.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 1.0 110.273 -175.31 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -69.64 -50.73 41.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 1.0 110.236 -173.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -66.04 -21.3 66.38 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.498 1.123 . . . . 1.0 108.25 -177.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -57.0 -55.92 28.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 1.0 109.308 174.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -105.89 41.32 1.42 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 1.0 110.302 -168.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -153.78 -43.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 1.0 110.305 161.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.431 ' CG ' HD12 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -105.11 14.44 29.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 1.0 111.043 -176.067 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 110.11 139.46 8.31 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.512 1.132 . . . . 1.0 111.05 164.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 66.4 mttt -80.3 68.18 6.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 0.773 . . . . 1.0 109.308 -173.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -166.03 44.12 0.27 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.544 1.153 . . . . 1.0 110.984 168.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.44 ' O ' HD21 ' A' ' 26' ' ' LEU . . . -91.11 153.56 19.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.416 0.716 . . . . 1.0 109.297 -164.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.93 -0.45 11.76 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.442 1.089 . . . . 1.0 110.959 171.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -47.56 159.73 0.49 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.974 -0.85 . . . . 1.0 110.974 -176.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -152.27 171.68 17.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 1.0 111.013 -177.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.909 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 47.1 m -89.13 102.4 15.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 1.0 108.286 -172.262 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.499 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -83.29 -167.62 1.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 1.0 111.052 168.098 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.81 88.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 1.0 109.338 -178.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.499 ' N ' ' O ' ' A' ' 42' ' ' TYR . 35.2 m-85 49.57 42.66 23.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 1.0 111.044 177.115 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -162.19 146.04 12.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 1.0 109.315 176.328 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 93.7 m -94.52 100.98 12.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 1.0 108.257 -175.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 15.6 t-105 -83.75 113.11 20.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 1.0 107.971 174.253 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 68.1 m -107.23 143.81 34.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.583 1.177 . . . . 1.0 108.268 -178.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.6 t -150.92 36.5 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 1.0 110.388 -160.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -153.5 29.01 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 1.0 109.644 171.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.467 ' H ' HD22 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -68.24 -172.44 0.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 1.0 109.35 176.123 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -106.74 -171.75 1.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 1.0 110.972 170.374 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -53.12 -25.52 13.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 1.0 110.336 -178.406 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -91.23 32.69 1.01 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 1.0 110.349 178.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.55 100.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 1.0 109.295 164.096 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 31.1 mm -94.0 131.38 41.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 1.0 109.324 163.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -127.46 145.55 34.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 1.0 109.281 -175.042 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.549 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 75.4 t90 -57.16 153.17 26.49 Favored Pre-proline 0 C--N 1.326 -0.439 0 N-CA-C 108.01 -1.108 . . . . 1.0 108.01 -172.746 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.549 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.2 Cg_endo -75.06 -174.38 14.04 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 120.981 -2.508 . . . . 1.0 110.966 -16.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.7 152.82 89.19 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 1.0 109.271 154.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -41.61 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.474 1.776 . . . . 1.0 111.045 -156.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -147.42 48.71 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 1.0 109.3 179.242 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.7 77.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.075 . . . . 1.0 109.273 166.644 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.61 152.23 42.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 1.0 110.351 -156.407 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -106.54 140.5 39.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 1.0 108.318 171.596 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.655 ' HG ' ' N ' ' A' ' 67' ' ' NH2 . 97.0 p -68.82 -62.72 1.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 1.0 109.925 -178.749 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' NH2 . . . . . 0.655 ' N ' ' HG ' ' A' ' 66' ' ' SER . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.401 ' NZ ' ' O ' ' A' ' 53' ' ' GLU . 58.1 tttt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.292 -0.633 . . . . 1.0 109.292 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -93.67 153.18 18.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 1.0 110.25 -159.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.459 ' CA ' HG21 ' A' ' 57' ' ' VAL . . . 173.63 -160.33 30.5 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.461 1.1 . . . . 1.0 111.012 165.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.587 ' O ' HG22 ' A' ' 57' ' ' VAL . 56.4 m-85 -85.86 111.18 19.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 0.748 . . . . 1.0 110.937 177.567 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.76 164.1 2.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 1.0 109.369 -164.536 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.7 p -123.17 145.81 29.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 1.0 109.297 -167.29 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -87.03 128.62 35.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 1.0 109.343 173.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.7 mttp -70.29 -21.13 62.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 1.0 109.356 -165.101 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -87.94 -74.23 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 1.0 109.322 -175.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -92.64 -13.34 29.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 1.0 110.392 -169.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 49.13 44.36 33.44 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.55 1.156 . . . . 1.0 110.963 -171.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -101.6 -3.53 28.23 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.347 -0.983 . . . . 1.0 108.347 179.328 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 71.17 163.68 0.27 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.438 1.086 . . . . 1.0 109.339 170.455 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -110.99 140.82 45.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.428 1.08 . . . . 1.0 110.996 -178.015 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -91.46 175.15 7.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 1.0 110.334 173.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.9 p -146.27 159.67 43.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 1.0 108.3 165.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 60.0 mt -73.02 -60.19 2.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 1.0 109.352 -158.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.6 mtmm -126.2 137.48 53.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 1.0 109.287 177.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.12 128.96 39.63 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.484 1.115 . . . . 1.0 109.271 173.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.74 -25.69 11.58 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 1.0 111.029 -173.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -75.2 71.41 2.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 1.0 109.276 -177.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -91.54 40.46 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 1.0 109.265 -168.196 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -105.59 -57.13 2.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 1.0 109.274 -175.246 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -63.0 -38.27 90.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.414 1.071 . . . . 1.0 111.056 177.309 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 86.7 m -65.86 -41.35 91.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 1.0 108.264 -174.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.23 -57.84 9.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 1.0 109.373 177.335 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.1 mtm-85 -54.74 -39.44 68.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.399 1.062 . . . . 1.0 110.328 -174.258 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -63.1 -59.71 4.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 1.0 110.295 -177.11 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -62.04 -27.29 68.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 1.0 108.229 -176.294 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -65.08 -53.91 38.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 1.0 109.323 178.251 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -106.93 50.74 0.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 1.0 110.324 -176.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.475 ' HG3' ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -167.08 -33.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 1.0 110.339 168.598 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.475 ' N ' ' HG3' ' A' ' 32' ' ' GLN . 0.1 OUTLIER -119.83 33.36 5.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 1.0 111.046 172.365 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.53 136.73 9.41 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.514 1.134 . . . . 1.0 110.948 163.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.9 mtmm -79.64 69.98 6.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 0.732 . . . . 1.0 109.303 -168.152 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -169.3 64.7 0.18 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.556 1.16 . . . . 1.0 110.929 165.622 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -101.09 148.98 24.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 0.763 . . . . 1.0 109.266 -168.375 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.52 -0.54 10.19 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.507 1.129 . . . . 1.0 110.968 166.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -49.36 164.69 0.43 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.013 -0.835 . . . . 1.0 111.013 -176.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -155.0 -178.42 7.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 0.764 . . . . 1.0 111.001 -173.001 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 53.4 t -101.26 109.7 21.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 1.0 108.302 -175.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.492 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -83.42 -161.23 0.49 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.09 . . . . 1.0 110.947 167.521 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.36 84.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 1.0 109.353 170.514 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.492 ' N ' ' O ' ' A' ' 42' ' ' TYR . 28.3 m-85 54.64 38.1 29.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 1.0 110.975 167.158 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -160.98 153.28 20.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 1.0 109.302 166.375 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 96.8 m -94.19 116.25 28.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 1.0 108.3 -172.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 4.9 t-105 -104.79 124.88 50.2 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.964 -1.125 . . . . 1.0 107.964 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 68.4 m -117.25 146.77 43.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 1.0 108.303 -172.134 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.44 ' O ' ' OG1' ' A' ' 49' ' ' THR . 1.3 t -154.41 33.6 0.42 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 1.0 110.38 -159.638 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -159.08 32.94 0.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 1.0 109.582 176.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.571 ' H ' HD22 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -73.83 -175.17 2.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 1.0 109.273 172.62 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -107.48 -177.64 3.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 1.0 111.0 164.028 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.401 ' O ' ' NZ ' ' A' ' 1' ' ' LYS . 11.7 pt-20 -58.56 -24.82 61.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 1.0 110.301 -177.078 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -87.48 32.3 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 1.0 110.29 178.544 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.52 131.26 43.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.423 1.077 . . . . 1.0 109.319 146.44 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.6 mp -113.62 126.61 71.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 1.0 109.334 143.062 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.66 HG22 ' H ' ' A' ' 58' ' ' TRP . 1.6 p -83.38 -178.91 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.421 1.076 . . . . 1.0 109.279 -170.21 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.66 ' H ' HG22 ' A' ' 57' ' ' VAL . 73.9 t90 -69.19 154.05 95.36 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 107.994 -1.113 . . . . 1.0 107.994 -163.528 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.53 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.4 Cg_endo -74.96 -166.75 5.09 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 120.97 -2.512 . . . . 1.0 111.038 -18.5 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.85 155.55 82.56 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 1.0 109.305 155.804 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -56.75 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.381 1.727 . . . . 1.0 110.949 170.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.2 p-10 -106.0 8.5 32.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 1.0 109.332 -157.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -163.26 56.7 0.19 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.455 1.097 . . . . 1.0 109.275 177.087 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 52.2 ptt85 -65.85 167.74 9.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 1.0 110.285 173.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.9 t -66.58 146.28 54.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.58 1.175 . . . . 1.0 108.358 175.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.717 ' HG ' ' N ' ' A' ' 67' ' ' NH2 . 98.7 p -61.37 -63.41 1.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.09 . . . . 1.0 109.969 -174.594 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' NH2 . . . . . 0.717 ' N ' ' HG ' ' A' ' 66' ' ' SER . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 79.2 tttt . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.301 -0.629 . . . . 1.0 109.301 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -98.78 158.37 15.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 1.0 110.324 -164.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 166.31 -161.53 35.19 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.486 1.116 . . . . 1.0 110.968 174.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -77.4 122.85 25.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 0.774 . . . . 1.0 111.015 170.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -60.46 167.37 2.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 1.0 109.283 172.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.9 p -136.64 146.58 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 1.0 109.363 -158.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -75.19 117.93 17.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 1.0 109.258 168.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.5 mmmt -75.92 -11.84 60.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.557 1.161 . . . . 1.0 109.291 -164.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -88.83 -77.9 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 1.0 109.325 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.96 -13.84 35.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.079 . . . . 1.0 110.402 -167.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 57.92 45.87 93.15 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.498 1.124 . . . . 1.0 110.992 -175.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m -88.3 154.23 20.57 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.288 -1.005 . . . . 1.0 108.288 163.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -60.38 142.21 55.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 1.0 109.32 -177.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -89.56 115.04 26.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 1.0 110.979 -177.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -96.21 125.84 41.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 1.0 110.396 -167.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -100.62 171.47 7.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 1.0 108.317 176.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.8 mt -80.83 -149.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 1.0 109.31 -173.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.1 ttpt -50.83 127.25 18.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 1.0 109.273 -174.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 pp -61.78 149.54 39.64 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.588 1.18 . . . . 1.0 109.341 -175.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.11 -48.81 1.1 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.531 1.144 . . . . 1.0 111.004 -178.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -71.9 97.96 1.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 0.746 . . . . 1.0 109.314 -169.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -88.74 40.34 0.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 1.0 109.3 -173.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -105.51 -46.11 4.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.459 1.099 . . . . 1.0 109.318 -177.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -72.69 -39.25 67.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 1.0 111.053 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.8 t -55.93 -53.63 54.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 1.0 108.247 175.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.59 -57.79 8.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 1.0 109.302 178.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 -54.12 -47.05 72.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 1.0 110.341 -173.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -63.99 -47.06 81.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.405 1.066 . . . . 1.0 110.267 -171.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -68.39 -27.32 66.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 1.0 108.266 -178.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.3 tptt -64.26 -50.09 69.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 1.0 109.306 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -105.7 46.07 0.94 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 1.0 110.336 -172.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -159.86 -40.18 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 1.0 110.31 158.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -105.47 27.11 8.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 1.0 111.011 178.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 109.19 142.56 9.78 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.537 1.148 . . . . 1.0 111.027 155.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -77.06 65.28 2.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 0.753 . . . . 1.0 109.332 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -173.11 32.09 0.11 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.569 1.168 . . . . 1.0 110.99 166.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -105.42 173.49 6.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 0.757 . . . . 1.0 109.339 -166.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -160.49 169.05 36.18 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.441 1.088 . . . . 1.0 110.982 174.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.454 ' HA2' HG22 ' A' ' 49' ' ' THR . . . 171.44 -176.91 44.56 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.063 -0.815 . . . . 1.0 111.063 -170.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -156.29 171.09 20.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 0.784 . . . . 1.0 111.039 172.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.2 m -98.59 110.41 23.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 1.0 108.384 -171.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.464 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.7 OUTLIER -82.36 -170.52 2.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 1.0 111.049 162.288 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.85 89.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.093 . . . . 1.0 109.301 177.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.464 ' N ' ' O ' ' A' ' 42' ' ' TYR . 32.7 m-85 52.02 45.84 27.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.434 1.084 . . . . 1.0 111.0 176.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -158.99 133.44 7.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 1.0 109.3 176.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.555 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 7.6 t -95.35 102.35 14.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.573 1.171 . . . . 1.0 108.26 -175.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 9.6 t-105 -84.42 117.74 23.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 1.0 107.998 172.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.555 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 69.8 m -110.89 145.98 37.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 1.0 108.274 -178.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.454 HG22 ' HA2' ' A' ' 39' ' ' GLY . 4.4 t -154.99 64.09 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 1.0 110.436 -154.053 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -176.23 31.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 1.0 109.618 -169.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.3 mt -118.26 168.55 10.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 1.0 109.297 -153.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -109.26 179.88 4.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 1.0 111.048 -177.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -59.06 -30.11 67.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 1.0 110.251 -177.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -92.15 31.47 1.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 1.0 110.292 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.69 122.51 46.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.449 1.093 . . . . 1.0 109.323 157.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 29.2 mt -92.17 150.68 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 1.0 109.303 168.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -120.49 147.31 24.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.554 1.159 . . . . 1.0 109.359 176.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.573 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 66.2 t90 -57.08 153.74 23.14 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 1.0 107.997 -169.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.573 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.3 Cg_endo -75.04 -167.43 5.65 Favored 'Cis proline' 0 C--N 1.359 1.115 0 C-N-CA 121.0 -2.5 . . . . 1.0 111.003 -16.196 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.9 156.74 91.25 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 1.0 109.258 152.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -51.43 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.502 1.791 . . . . 1.0 110.976 172.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.6 p-10 -101.39 5.83 42.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 1.0 109.314 -158.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.5 pttp -169.52 67.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 1.0 109.335 174.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.4 ptm85 -68.14 166.5 16.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 1.0 110.267 165.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 1.0 108.272 175.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.278 -0.638 . . . . 1.0 109.278 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 31.5 mp0 -134.75 129.38 34.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 1.0 110.339 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -161.04 175.59 37.68 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.444 1.09 . . . . 1.0 110.993 -171.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -72.17 146.98 47.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 0.769 . . . . 1.0 110.996 169.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.574 HD13 ' SG ' ' A' ' 48' ' ' CYS . 1.2 tp -82.49 176.28 9.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.092 . . . . 1.0 109.316 -177.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -155.46 147.63 12.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.464 1.103 . . . . 1.0 109.291 -147.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -98.43 147.26 24.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 1.0 109.279 172.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -89.14 -27.5 20.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 1.0 109.328 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -76.94 -77.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 1.0 109.303 -176.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 70.7 p -84.38 -21.41 30.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 1.0 110.396 -172.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 61.95 28.99 71.26 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.141 . . . . 1.0 111.011 -168.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -117.51 143.61 45.89 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.327 -0.99 . . . . 1.0 108.327 177.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.8 tttm 73.23 89.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 1.0 109.264 142.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -138.13 110.38 7.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 1.0 111.046 166.25 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -167.03 169.15 13.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 1.0 110.266 -153.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -141.99 143.79 33.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 1.0 108.344 -179.21 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 pp -70.74 132.06 44.78 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 1.0 109.264 178.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt 69.61 144.48 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 1.0 109.299 -176.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -95.22 160.42 14.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 1.0 109.346 175.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.96 -52.25 0.77 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.558 1.161 . . . . 1.0 110.978 175.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -72.28 90.88 1.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.781 . . . . 1.0 109.35 -168.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.0 p-10 -84.66 59.74 5.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.163 . . . . 1.0 109.32 -174.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -107.03 -66.41 1.02 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 1.0 109.292 173.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -60.1 -39.68 87.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 1.0 110.966 -176.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 92.6 m -66.87 -36.69 82.88 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 1.0 108.308 -177.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.26 -48.01 81.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 1.0 109.235 175.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -61.98 -41.19 97.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 1.0 110.306 -176.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.16 -47.22 85.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 1.0 110.312 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.9 -46.37 74.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 1.0 108.32 176.165 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -81.9 -14.76 55.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 1.0 109.264 -164.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -107.4 56.19 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 1.0 110.252 164.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -177.67 -24.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 1.0 110.304 144.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.567 ' CE1' HD11 ' A' ' 5' ' ' LEU . 90.8 m-85 -107.18 47.04 0.9 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 1.0 110.99 154.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.76 -14.58 10.1 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 1.0 111.015 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.45 68.34 1.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 0.737 . . . . 1.0 109.338 174.376 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.03 27.6 55.86 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.516 1.135 . . . . 1.0 110.887 154.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 33' ' ' TYR . . . -106.04 -177.26 3.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 0.767 . . . . 1.0 109.357 -170.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.46 178.33 46.31 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.458 1.099 . . . . 1.0 111.039 -174.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 172.65 178.63 42.88 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.051 -0.82 . . . . 1.0 111.051 -160.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -159.37 179.93 8.52 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.477 0.751 . . . . 1.0 111.062 176.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 56.1 m -99.72 108.45 20.78 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.471 1.107 . . . . 1.0 108.351 -175.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.49 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -83.49 -164.03 0.84 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.572 1.17 . . . . 1.0 110.982 167.017 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.73 86.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 1.0 109.286 176.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.49 ' N ' ' O ' ' A' ' 42' ' ' TYR . 36.8 m-85 51.67 44.04 29.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 1.0 111.013 174.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -161.77 150.04 15.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 1.0 109.257 173.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 68.0 m -102.03 106.14 17.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 1.0 108.32 -169.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 17.2 t-105 -95.38 120.79 36.23 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.016 -1.105 . . . . 1.0 108.016 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.574 ' SG ' HD13 ' A' ' 5' ' ' LEU . 39.4 m -98.33 146.01 26.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 1.0 108.317 175.14 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.419 ' O ' ' CG ' ' A' ' 50' ' ' HIS . 1.8 t -148.7 34.17 0.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 1.0 110.383 -166.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.419 ' CG ' ' O ' ' A' ' 49' ' ' THR . 87.5 m-70 -155.1 34.3 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 1.0 109.645 171.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.589 ' H ' HD22 ' A' ' 51' ' ' LEU . 0.8 OUTLIER -70.54 176.57 3.99 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.557 1.161 . . . . 1.0 109.346 173.005 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.432 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -108.99 -167.78 1.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 1.0 111.016 166.284 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -49.82 -30.14 9.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 1.0 110.217 177.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -93.73 34.82 1.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 1.0 110.308 -178.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.96 121.56 9.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.387 1.054 . . . . 1.0 109.295 155.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.5 mp -111.43 135.12 51.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 1.0 109.274 157.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -139.03 148.62 23.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 1.0 109.309 -166.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.501 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 84.9 t90 -74.44 155.26 87.72 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 107.989 -1.115 . . . . 1.0 107.989 -176.138 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.501 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.2 Cg_endo -75.07 -178.12 22.54 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.997 -2.501 . . . . 1.0 110.995 -23.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.69 156.34 41.08 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 1.0 109.305 176.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -49.54 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.506 1.792 . . . . 1.0 111.03 -171.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.7 p-10 -103.72 4.72 35.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.157 . . . . 1.0 109.293 -162.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.9 ptmt -168.72 64.5 0.06 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.542 1.152 . . . . 1.0 109.311 174.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 50.5 ptt85 -63.87 163.82 11.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 1.0 110.279 166.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 8.5 t . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 1.0 108.297 171.582 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.306 -0.627 . . . . 1.0 109.306 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -90.06 150.12 22.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 1.0 110.306 -160.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -178.95 -166.59 35.2 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.472 1.107 . . . . 1.0 111.001 177.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -65.63 166.18 11.15 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.531 0.783 . . . . 1.0 110.992 174.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.435 HD13 ' SG ' ' A' ' 48' ' ' CYS . 3.5 mp -84.45 170.14 13.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.583 1.177 . . . . 1.0 109.242 163.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.8 p -154.69 148.5 12.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 1.0 109.28 -172.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -93.66 124.58 37.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 1.0 109.322 170.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.4 mmtp -65.13 -25.84 67.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 1.0 109.315 -168.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -71.94 -78.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 1.0 109.386 -175.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.6 p -95.15 -20.01 19.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 1.0 110.37 -169.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 64.09 40.29 97.98 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.432 1.083 . . . . 1.0 111.025 -163.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -102.92 -169.68 1.69 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.344 -0.984 . . . . 1.0 108.344 169.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.2 mttt 69.76 176.7 0.27 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 1.0 109.306 174.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 48.79 89.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 1.0 111.014 -168.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -158.27 75.0 0.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 1.0 110.273 -169.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.8 t -90.57 90.44 7.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 1.0 108.331 -149.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.2 mt -55.42 140.48 39.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 1.0 109.304 167.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.1 tttt 61.51 77.41 0.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 1.0 109.32 -169.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.7 pp -57.1 150.66 16.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 1.0 109.256 170.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 118.72 -55.98 0.58 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.523 1.139 . . . . 1.0 111.012 -178.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.54 95.9 0.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 0.786 . . . . 1.0 109.299 -164.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -96.09 57.27 1.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 1.0 109.293 -173.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -106.01 -68.78 0.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 1.0 109.312 -176.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -68.5 -27.13 65.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 1.0 110.964 177.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.8 t -57.15 -59.08 5.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 1.0 108.3 171.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.56 -45.17 77.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 1.0 109.292 -175.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.0 mtt85 -58.94 -56.71 18.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 1.0 110.27 -176.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -64.14 -39.93 95.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 1.0 110.289 -174.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 5.8 t -54.22 -53.09 58.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 1.0 108.326 176.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -68.59 -44.49 74.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 1.0 109.241 -168.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -107.43 48.26 0.85 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 1.0 110.267 -175.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.505 ' HG3' ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -167.56 -34.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 1.0 110.29 160.764 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.505 ' N ' ' HG3' ' A' ' 32' ' ' GLN . 0.1 OUTLIER -118.53 38.64 3.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 1.0 111.0 172.658 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 118.63 132.5 4.56 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.524 1.14 . . . . 1.0 110.989 147.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -81.33 63.12 5.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.751 . . . . 1.0 109.27 -166.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 178.61 -42.5 0.08 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.475 1.11 . . . . 1.0 111.011 -174.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.21 163.97 14.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 0.753 . . . . 1.0 109.303 -175.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -134.15 -171.08 12.46 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.441 1.088 . . . . 1.0 111.013 176.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 174.68 172.01 39.36 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.023 -0.831 . . . . 1.0 111.023 -166.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.417 ' CE2' HG21 ' A' ' 49' ' ' THR . 0.6 OUTLIER -157.6 167.88 28.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 0.769 . . . . 1.0 110.99 174.565 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 6.2 m -81.09 99.98 8.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 1.0 108.364 178.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.504 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -81.5 -158.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 1.0 111.017 170.262 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.44 82.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 1.0 109.3 168.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.504 ' N ' ' O ' ' A' ' 42' ' ' TYR . 62.0 m-85 50.43 52.95 13.78 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.173 . . . . 1.0 110.978 166.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -175.32 175.3 2.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.137 . . . . 1.0 109.308 124.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 41.9 t -68.58 101.65 1.32 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 1.0 108.292 -176.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 10.3 t-105 -84.58 116.33 23.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 1.0 107.944 175.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.435 ' SG ' HD13 ' A' ' 5' ' ' LEU . 27.1 m -105.71 142.72 34.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 1.0 108.309 -178.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.417 HG21 ' CE2' ' A' ' 40' ' ' TYR . 1.8 t -148.69 47.99 1.02 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 1.0 110.418 -156.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -167.32 60.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 1.0 109.558 159.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 29.5 mt -104.92 -179.04 3.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 1.0 109.338 -164.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -107.91 -176.61 3.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 1.0 110.996 178.046 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -58.51 -26.98 64.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.1 . . . . 1.0 110.223 -177.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -90.83 29.37 1.35 Allowed 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.557 1.161 . . . . 1.0 110.29 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.58 114.14 7.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 1.0 109.276 162.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 8.0 mm -108.26 137.34 40.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.484 1.115 . . . . 1.0 109.309 166.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -133.74 145.27 33.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.536 1.147 . . . . 1.0 109.313 -167.19 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.522 ' CD1' ' HA ' ' A' ' 59' ' ' PRO . 92.5 t90 -58.7 156.35 24.78 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 1.0 108.027 -172.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.522 ' HA ' ' CD1' ' A' ' 58' ' ' TRP . 18.3 Cg_endo -75.06 -164.71 3.74 Favored 'Cis proline' 0 C--N 1.361 1.203 0 C-N-CA 120.952 -2.52 . . . . 1.0 110.998 -23.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.71 151.59 55.65 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 1.0 109.348 154.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -45.12 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.543 1.812 . . . . 1.0 110.948 -163.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -97.24 3.39 51.4 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 1.0 109.319 -170.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -160.11 113.39 2.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.095 . . . . 1.0 109.368 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.26 144.75 50.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 1.0 110.302 179.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 14.4 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 1.0 108.264 -176.405 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.4 tttp . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.334 -0.617 . . . . 1.0 109.334 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -83.83 130.48 34.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.621 1.2 . . . . 1.0 110.279 -161.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -168.92 -174.87 37.88 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.441 1.088 . . . . 1.0 111.033 -177.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -76.95 105.41 8.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.761 . . . . 1.0 111.017 166.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.9 142.07 5.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 1.0 109.267 177.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.9 p -110.23 154.61 11.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.583 1.177 . . . . 1.0 109.287 176.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -89.56 153.61 20.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 1.0 109.296 176.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.4 mttp -89.34 -26.58 21.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 1.0 109.276 -178.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -92.08 -69.98 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 1.0 109.272 -168.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 37.8 p -89.34 -13.32 38.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 1.0 110.327 -177.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 82.72 -11.13 54.26 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.443 1.089 . . . . 1.0 111.05 -171.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 32.1 m -101.74 -84.31 0.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.322 -0.992 . . . . 1.0 108.322 -159.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.535 ' O ' ' C ' ' A' ' 14' ' ' TYR . 1.4 ttmt 58.49 -90.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 1.0 109.284 -170.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.535 ' C ' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -21.77 -70.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.564 1.165 . . . . 1.0 110.988 -148.626 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 14' ' ' TYR . 68.9 mm-40 29.02 66.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 1.0 110.292 -171.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.9 t -82.49 133.17 35.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.547 1.154 . . . . 1.0 108.343 166.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 78.6 mt -72.16 -24.38 61.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 1.0 109.279 -165.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -148.47 -169.81 3.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 1.0 109.3 177.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -105.96 147.91 28.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 1.0 109.312 165.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 118.66 -48.17 0.97 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.526 1.141 . . . . 1.0 110.953 174.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -73.28 93.55 1.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.77 . . . . 1.0 109.3 -169.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -94.65 38.86 1.1 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 1.0 109.29 -169.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -105.16 -50.64 3.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 1.0 109.337 -171.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -73.29 -30.0 63.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 1.0 111.025 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 43.1 t -59.11 -54.51 46.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.466 1.104 . . . . 1.0 108.293 175.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.19 -56.12 18.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 1.0 109.3 178.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.8 mtt85 -56.89 -46.51 81.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 1.0 110.354 -172.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -54.05 -61.13 2.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 1.0 110.288 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.2 m -62.79 -27.78 69.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 1.0 108.316 -171.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -66.94 -47.16 72.51 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 1.0 109.319 177.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -92.16 46.92 1.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 1.0 110.312 -177.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -167.99 -39.08 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 1.0 110.301 157.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -118.77 16.34 13.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.498 1.124 . . . . 1.0 110.989 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.58 79.23 0.45 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.547 1.154 . . . . 1.0 110.991 177.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -105.25 -7.1 19.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 1.0 109.299 156.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 159.5 43.71 0.02 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.583 1.177 . . . . 1.0 110.996 178.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -105.18 131.66 52.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 0.729 . . . . 1.0 109.292 -164.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.45 -179.5 18.4 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.562 1.164 . . . . 1.0 111.055 163.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 175.76 175.06 42.85 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 111.036 -0.825 . . . . 1.0 111.036 -175.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -154.24 168.23 27.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 0.783 . . . . 1.0 110.993 172.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 m -90.37 106.67 18.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 1.0 108.339 -178.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.52 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -82.5 -161.64 0.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 1.0 111.008 164.312 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.63 87.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 1.0 109.273 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.52 ' N ' ' O ' ' A' ' 42' ' ' TYR . 30.9 m-85 55.92 34.94 24.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.398 1.061 . . . . 1.0 110.961 168.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -165.7 166.89 17.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.423 1.077 . . . . 1.0 109.349 166.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.43 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 1.5 t -110.2 106.8 16.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 1.0 108.292 -163.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 11.9 t-105 -84.51 120.65 26.57 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.934 -1.136 . . . . 1.0 107.934 172.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.43 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 66.5 m -111.4 144.23 40.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.406 1.066 . . . . 1.0 108.277 178.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.404 ' O ' ' CG ' ' A' ' 50' ' ' HIS . 1.1 t -145.19 52.28 1.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 1.0 110.394 -158.403 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.404 ' CG ' ' O ' ' A' ' 49' ' ' THR . 14.6 m-70 -160.79 71.3 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 1.0 109.601 149.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 65.2 mt -113.78 158.16 21.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 1.0 109.251 -162.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -108.84 175.53 5.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 1.0 111.001 174.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -50.91 -38.77 52.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 1.0 110.31 -178.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -84.35 -2.15 56.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.16 . . . . 1.0 110.33 -167.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.35 116.04 28.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 1.0 109.27 172.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 18.9 mm -98.83 150.55 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 1.0 109.329 -160.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -130.38 153.43 38.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 1.0 109.365 -174.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.564 ' CD1' ' HA ' ' A' ' 59' ' ' PRO . 48.6 t90 -52.46 159.78 1.53 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 1.0 107.978 -171.322 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.564 ' HA ' ' CD1' ' A' ' 58' ' ' TRP . 18.2 Cg_endo -75.09 -169.5 7.43 Favored 'Cis proline' 0 C--N 1.361 1.189 0 C-N-CA 120.903 -2.54 . . . . 1.0 111.012 -29.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -104.17 162.22 20.53 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 1.0 109.349 152.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 -54.97 0.08 OUTLIER 'Trans proline' 0 C--N 1.358 1.079 0 O-C-N 124.534 1.807 . . . . 1.0 111.025 -164.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -92.64 1.49 57.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 1.0 109.323 -166.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -164.21 122.44 1.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 1.0 109.35 177.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.26 151.08 50.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.165 . . . . 1.0 110.316 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 11.1 t . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 1.0 108.291 168.41 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.338 -0.616 . . . . 1.0 109.338 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -80.63 113.27 18.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 1.0 110.272 -154.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 174.4 -176.3 46.74 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.439 1.087 . . . . 1.0 110.993 -169.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -74.24 95.6 2.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 0.756 . . . . 1.0 111.012 -177.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -47.37 139.51 6.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 1.0 109.356 -178.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.443 HG21 ' HG ' ' A' ' 60' ' ' LEU . 9.3 p -107.63 148.25 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 1.0 109.224 -177.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -84.3 133.18 34.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 1.0 109.261 -168.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -72.92 -25.15 60.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.568 1.167 . . . . 1.0 109.242 -173.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.428 ' HB3' HG23 ' A' ' 10' ' ' THR . 5.2 m-20 -76.29 -83.07 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 1.0 109.282 177.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.428 HG23 ' HB3' ' A' ' 9' ' ' ASN . 67.2 p -93.53 -12.33 29.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 1.0 110.367 -164.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.83 -1.62 85.8 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.128 . . . . 1.0 111.004 -169.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.461 ' O ' ' C ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -104.33 -82.35 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.254 -1.017 . . . . 1.0 108.254 -176.487 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.531 ' O ' ' N ' ' A' ' 15' ' ' GLU . 68.3 tttt 19.13 -100.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 1.0 109.332 -154.114 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER 21.12 -73.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 1.0 110.993 -130.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 13' ' ' LYS . 11.1 tp10 42.14 86.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.553 1.158 . . . . 1.0 110.312 -167.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.953 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 24.4 p -133.62 81.65 1.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.1 . . . . 1.0 108.345 153.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 pp -51.81 147.86 6.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 1.0 109.251 170.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.2 ttpp 62.57 96.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 1.0 109.295 -174.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.65 160.79 1.22 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.606 1.191 . . . . 1.0 109.248 173.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.41 -42.72 1.89 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.569 1.168 . . . . 1.0 110.961 178.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -92.31 105.7 17.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 0.785 . . . . 1.0 109.279 -166.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -132.58 91.56 2.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 1.0 109.336 173.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -105.28 -52.09 2.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 1.0 109.291 150.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -68.2 -24.23 64.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 1.0 110.978 -171.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.2 m -80.17 -41.3 25.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 1.0 108.283 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.94 -46.88 64.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 1.0 109.315 168.201 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.2 mmm-85 -66.37 -41.57 89.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 1.0 110.261 -178.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -57.87 -54.56 45.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 1.0 110.332 -178.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.97 -39.11 68.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 1.0 108.276 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.7 tttt -65.45 -47.88 74.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 1.0 109.323 -175.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -106.71 45.73 0.96 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.094 . . . . 1.0 110.313 -175.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.408 ' HG3' ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -165.09 -24.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 1.0 110.315 168.335 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.416 ' OH ' ' N ' ' A' ' 56' ' ' ILE . 8.0 m-85 -128.9 66.65 1.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 1.0 110.947 155.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.33 136.74 2.9 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.428 1.08 . . . . 1.0 111.003 150.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -77.03 67.92 3.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.431 0.724 . . . . 1.0 109.303 -175.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -175.68 34.85 0.1 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.564 1.165 . . . . 1.0 110.97 159.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -106.71 179.38 4.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 0.741 . . . . 1.0 109.285 -170.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -169.44 178.68 42.41 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.497 1.123 . . . . 1.0 111.058 -178.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.443 ' HA2' HG22 ' A' ' 49' ' ' THR . . . 173.29 -172.78 45.41 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.027 -0.829 . . . . 1.0 111.027 -167.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -158.01 167.48 29.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 0.762 . . . . 1.0 110.991 166.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 44.8 t -89.28 105.24 17.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 1.0 108.272 -176.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.541 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -82.69 -161.93 0.53 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.61 1.194 . . . . 1.0 110.99 165.445 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.03 87.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 1.0 109.266 -176.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.541 ' N ' ' O ' ' A' ' 42' ' ' TYR . 5.2 m-85 60.85 26.09 15.97 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.593 1.183 . . . . 1.0 110.972 168.097 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 44' ' ' PHE . . . -176.12 157.36 1.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 1.0 109.262 167.177 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.953 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 91.0 m -111.53 118.21 35.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 1.0 108.274 -149.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 4.0 t-105 -84.54 119.84 25.65 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.039 -1.097 . . . . 1.0 108.039 177.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.454 ' CB ' HD11 ' A' ' 51' ' ' LEU . 9.4 m -90.82 148.15 22.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 1.0 108.279 176.248 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.443 HG22 ' HA2' ' A' ' 39' ' ' GLY . 2.6 t -155.1 43.39 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 1.0 110.395 -169.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.4 ' CG ' ' O ' ' A' ' 49' ' ' THR . 73.2 m-70 -152.0 67.31 0.86 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 1.0 109.592 161.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.454 HD11 ' CB ' ' A' ' 48' ' ' CYS . 84.4 mt -124.94 172.74 9.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 1.0 109.28 -163.236 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -107.79 173.39 6.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 1.0 111.069 169.017 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -58.39 -24.42 59.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 1.0 110.291 -172.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -112.86 45.07 1.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 1.0 110.287 -176.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 1' ' ' LYS . . . -107.48 109.47 21.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 1.0 109.339 156.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.416 ' N ' ' OH ' ' A' ' 33' ' ' TYR . 36.7 mm -76.61 143.18 13.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.563 1.164 . . . . 1.0 109.3 -168.295 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -124.2 152.39 29.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 1.0 109.31 -176.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.585 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 87.4 t90 -49.88 151.46 3.24 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 1.0 108.019 -168.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.585 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.2 Cg_endo -75.04 178.82 33.03 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 120.937 -2.526 . . . . 1.0 111.039 -14.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.443 ' HG ' HG21 ' A' ' 6' ' ' VAL . 16.3 mt -67.26 169.92 7.63 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 1.0 109.344 157.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -67.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.501 1.79 . . . . 1.0 111.044 154.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.6 p-10 -98.77 2.03 46.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 1.0 109.304 -141.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.4 pttp -175.51 67.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 1.0 109.295 173.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -77.97 156.84 29.96 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.542 1.151 . . . . 1.0 110.263 177.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 10.9 t . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.474 1.109 . . . . 1.0 108.353 176.28 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.1 tptp . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.256 -0.646 . . . . 1.0 109.256 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.67 -175.22 5.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 1.0 110.345 -155.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.613 ' O ' ' CE3' ' A' ' 47' ' ' TRP . . . 156.08 -40.21 0.58 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.421 1.076 . . . . 1.0 111.029 164.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 162.67 96.69 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 0.753 . . . . 1.0 110.984 -167.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.45 144.14 13.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 1.0 109.286 176.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.6 p -122.45 148.91 25.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 1.0 109.335 -166.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -71.08 119.23 14.9 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.468 1.105 . . . . 1.0 109.291 169.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -78.33 -7.86 57.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 1.0 109.299 -160.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -94.6 -76.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 1.0 109.308 179.243 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.39 -18.27 27.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 1.0 110.378 -169.248 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 60.9 38.98 96.28 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.505 1.128 . . . . 1.0 110.999 -170.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -101.4 -175.77 2.95 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.27 -1.011 . . . . 1.0 108.27 -177.152 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.9 ptmm? -56.59 154.95 8.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 1.0 109.302 175.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -126.49 -43.51 1.75 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 1.0 111.023 171.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 66.34 86.06 0.14 Allowed 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.424 1.078 . . . . 1.0 110.323 156.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.7 p -73.76 -25.58 60.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.398 1.061 . . . . 1.0 108.331 -175.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.0 mt 62.7 160.97 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 1.0 109.302 -172.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.1 tttm 56.28 74.17 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 1.0 109.311 171.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 pp -57.0 143.42 38.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 1.0 109.305 -175.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.73 -45.52 1.31 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.528 1.142 . . . . 1.0 111.019 -175.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -71.69 88.82 0.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 0.782 . . . . 1.0 109.288 -169.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -90.24 60.14 4.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 1.0 109.297 -174.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -105.38 -68.12 0.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 1.0 109.299 177.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -68.26 -27.53 66.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 1.0 110.997 -172.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 87.0 m -66.78 -42.49 85.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.399 1.062 . . . . 1.0 108.312 174.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.37 -42.77 92.4 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.502 1.126 . . . . 1.0 109.282 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 -59.06 -47.61 84.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 1.0 110.317 -178.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -60.89 -54.56 43.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 1.0 110.252 177.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -53.11 -36.19 60.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 1.0 108.235 -177.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.25 -60.54 3.59 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.484 1.115 . . . . 1.0 109.282 -178.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -91.67 45.11 1.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 1.0 110.333 -169.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -159.6 -41.94 0.05 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 1.0 110.294 149.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -101.38 -5.32 25.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 1.0 110.967 -174.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.07 78.91 0.77 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.484 1.115 . . . . 1.0 110.954 -169.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -107.23 49.71 0.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 0.728 . . . . 1.0 109.373 158.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.38 12.45 63.03 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 1.0 110.971 -172.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.36 176.32 9.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 0.734 . . . . 1.0 109.29 -178.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -155.53 171.24 33.57 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.472 1.108 . . . . 1.0 111.032 -177.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.42 160.52 24.31 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.056 -0.817 . . . . 1.0 111.056 -172.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.1 p90 -149.78 179.1 8.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.506 0.768 . . . . 1.0 111.024 -171.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 45.3 t -102.15 107.69 18.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 1.0 108.307 -174.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.497 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -82.45 -161.54 0.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 1.0 111.035 171.125 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.72 85.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 1.0 109.272 174.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.497 ' N ' ' O ' ' A' ' 42' ' ' TYR . 5.3 m-85 55.77 37.73 29.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 1.0 111.036 171.244 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -166.33 151.66 8.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 1.0 109.275 175.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 95.0 m -87.38 144.63 26.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 1.0 108.343 -176.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.613 ' CE3' ' O ' ' A' ' 3' ' ' GLY . 1.5 t-105 -128.87 127.42 41.8 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.014 -1.106 . . . . 1.0 108.014 167.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.473 ' CB ' HD21 ' A' ' 51' ' ' LEU . 8.9 m -106.5 134.76 49.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 1.0 108.291 177.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.44 ' O ' ' OG1' ' A' ' 49' ' ' THR . 1.1 t -131.06 30.48 4.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 1.0 110.389 -153.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -174.63 42.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 1.0 109.58 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.66 ' N ' HD13 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -82.32 176.28 9.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 1.0 109.324 164.663 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.49 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -107.82 -166.19 1.12 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.543 1.152 . . . . 1.0 111.005 -170.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -43.6 -30.7 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 1.0 110.308 175.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -100.14 38.26 1.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 1.0 110.3 -177.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.41 101.67 0.78 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 1.0 109.332 164.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 22.3 mm -88.56 117.98 33.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.447 1.092 . . . . 1.0 109.257 165.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -117.89 146.22 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 1.0 109.294 -175.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.552 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 42.5 t90 -59.03 152.47 50.54 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.492 1.12 . . . . 1.0 108.072 -166.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.552 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.1 Cg_endo -75.0 -162.46 2.79 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 120.973 -2.511 . . . . 1.0 110.986 -14.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.21 147.57 83.11 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 1.0 109.259 154.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -58.85 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.799 . . . . 1.0 111.027 -157.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -111.16 23.9 13.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.565 1.165 . . . . 1.0 109.271 -172.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.66 58.3 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 1.0 109.284 166.224 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.81 160.3 20.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 1.0 110.268 174.033 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 11.9 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 1.0 108.242 -172.991 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.5 pttt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.292 -0.633 . . . . 1.0 109.292 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -115.4 -173.68 2.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 1.0 110.321 -176.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 153.03 -167.29 31.7 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.48 1.112 . . . . 1.0 110.952 158.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -66.62 102.4 0.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 0.795 . . . . 1.0 110.95 171.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.641 ' C ' HD23 ' A' ' 5' ' ' LEU . 1.0 OUTLIER -44.11 139.46 2.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 1.0 109.306 168.064 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.568 HG21 ' HG ' ' A' ' 60' ' ' LEU . 13.4 p -111.54 143.3 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 1.0 109.35 -176.054 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.85 134.94 47.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 1.0 109.296 -173.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.45 6.9 46.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 1.0 109.274 -160.325 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -100.63 -72.34 0.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 1.0 109.273 169.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.72 -17.6 14.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.113 . . . . 1.0 110.373 -169.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.8 35.28 89.43 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.524 1.14 . . . . 1.0 110.972 -171.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.86 95.3 5.7 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.255 -1.017 . . . . 1.0 108.255 -175.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.6 tttt 77.77 148.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 1.0 109.317 162.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.501 ' CE1' HD22 ' A' ' 5' ' ' LEU . 22.4 t80 -154.42 68.35 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 1.0 110.957 174.187 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -126.96 159.46 33.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.135 . . . . 1.0 110.312 -163.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.5 m -108.42 171.29 7.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 1.0 108.304 -173.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 67.8 mt -77.53 -50.75 11.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 1.0 109.366 176.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -130.7 171.08 13.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 1.0 109.235 171.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.7 pp -84.98 145.15 27.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 1.0 109.295 174.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.99 -7.31 73.24 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.536 1.148 . . . . 1.0 111.004 -177.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -79.58 56.43 2.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 0.729 . . . . 1.0 109.277 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 22.2 p-10 -89.66 46.02 1.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 1.0 109.327 -157.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.38 -60.7 1.62 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 1.0 109.311 175.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -59.54 -36.27 75.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 1.0 110.982 -178.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 60.3 m -63.84 -51.73 63.32 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.566 1.167 . . . . 1.0 108.248 -179.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.33 -49.78 75.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 1.0 109.311 178.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.1 mtm180 -66.2 -44.63 83.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 1.0 110.295 -165.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -65.32 -40.33 93.58 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.552 1.158 . . . . 1.0 110.317 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -59.19 -36.61 75.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 1.0 108.323 172.016 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -77.64 -20.06 54.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 1.0 109.304 -172.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -100.53 44.57 1.01 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 1.0 110.319 174.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -174.98 -25.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.443 1.09 . . . . 1.0 110.294 153.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -111.26 45.42 1.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 1.0 111.023 158.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -46.74 -25.67 2.36 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.415 1.072 . . . . 1.0 110.941 172.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -73.57 67.82 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 1.0 109.316 175.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.9 67.47 1.48 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.503 1.127 . . . . 1.0 110.991 165.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -107.13 138.68 42.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.76 . . . . 1.0 109.273 169.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -134.03 -1.38 3.67 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.446 1.091 . . . . 1.0 110.975 -174.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.05 -171.88 3.1 Favored Glycine 0 CA--C 1.531 1.08 0 N-CA-C 110.964 -0.855 . . . . 1.0 110.964 -173.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -169.72 179.3 3.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 0.788 . . . . 1.0 110.98 -154.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 56.3 m -97.09 107.7 20.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.167 . . . . 1.0 108.276 -178.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.491 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -82.91 -164.48 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 1.0 110.985 169.615 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.24 88.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 1.0 109.279 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.491 ' N ' ' O ' ' A' ' 42' ' ' TYR . 37.2 m-85 53.44 40.4 31.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 1.0 111.004 172.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -161.85 145.42 12.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 1.0 109.323 166.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 86.2 m -88.5 130.13 35.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 1.0 108.325 175.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 2.9 t-105 -129.62 132.28 46.7 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.949 -1.13 . . . . 1.0 107.949 -178.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 66.9 m -103.74 143.5 32.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 1.0 108.278 -179.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 t -155.31 60.77 0.63 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 1.0 110.39 -162.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -175.05 38.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 1.0 109.639 -175.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.7 mt -113.98 170.09 8.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 1.0 109.307 -158.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -108.66 -173.87 2.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 1.0 111.032 174.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -58.86 -22.58 59.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 1.0 110.326 -175.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -92.35 33.95 1.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 1.0 110.299 175.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.83 127.64 32.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 1.0 109.291 159.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.6 mm -114.07 122.07 67.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 1.0 109.268 170.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -134.36 149.24 29.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 1.0 109.376 -169.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.531 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 73.3 t90 -60.1 152.16 62.88 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.573 1.171 . . . . 1.0 107.982 -166.14 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.531 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.0 Cg_endo -75.05 -177.26 20.01 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.037 -2.485 . . . . 1.0 110.958 -16.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.568 ' HG ' HG21 ' A' ' 6' ' ' VAL . 2.3 mt -75.03 150.75 85.94 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 1.0 109.292 166.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -34.55 3.83 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.475 1.776 . . . . 1.0 111.012 -155.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -148.65 49.58 1.01 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.556 1.16 . . . . 1.0 109.274 172.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.42 59.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 1.0 109.348 167.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.0 ptt-85 -66.91 171.68 5.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 1.0 110.306 173.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 5.8 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 1.0 108.259 167.469 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.338 -0.616 . . . . 1.0 109.338 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.522 ' HA ' HD12 ' A' ' 51' ' ' LEU . 24.9 mt-10 -126.49 152.68 46.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 1.0 110.334 169.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 166.96 -166.19 39.0 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.573 1.17 . . . . 1.0 111.006 -171.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -77.69 126.56 31.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 0.793 . . . . 1.0 111.042 -175.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -63.01 162.44 11.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 1.0 109.315 -175.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -137.33 144.68 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 1.0 109.319 -169.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -78.25 129.31 34.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 1.0 109.313 173.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.52 -21.91 61.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 1.0 109.238 -174.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -79.2 -80.64 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 1.0 109.287 -178.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 73.6 p -84.18 -21.87 31.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 1.0 110.411 -168.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 51.49 40.22 46.47 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.501 1.126 . . . . 1.0 111.049 -166.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -93.72 157.34 16.21 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.249 -1.019 . . . . 1.0 108.249 177.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -58.69 132.28 53.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 1.0 109.33 -167.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -125.89 125.42 42.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 1.0 111.019 -176.227 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -154.93 172.2 18.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 1.0 110.367 -157.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.1 t -82.13 -46.73 13.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 1.0 108.267 -168.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 24.7 mt 59.21 122.41 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 1.0 109.316 -143.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.7 tttm 66.14 101.54 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 1.0 109.344 -175.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.38 167.2 7.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.583 1.177 . . . . 1.0 109.356 175.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.82 -58.05 0.64 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.108 . . . . 1.0 110.941 173.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -73.83 93.97 2.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.529 0.782 . . . . 1.0 109.337 -165.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -84.18 50.68 1.9 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 1.0 109.278 -173.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -106.63 -56.62 2.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.555 1.159 . . . . 1.0 109.25 -175.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -74.39 -30.98 62.18 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.488 1.118 . . . . 1.0 110.98 -179.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 81.7 m -59.76 -45.36 92.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 1.0 108.279 174.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.99 -47.8 83.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.388 1.055 . . . . 1.0 109.288 -179.181 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.1 mtt85 -58.42 -51.45 69.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 1.0 110.285 -175.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -67.03 -40.61 87.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 1.0 110.278 -173.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -56.26 -42.71 77.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 1.0 108.289 173.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -65.88 -55.14 18.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 1.0 109.35 -172.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -98.94 47.42 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 1.0 110.332 -175.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.401 ' HG3' ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -167.6 -26.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 1.0 110.313 165.58 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.401 ' N ' ' HG3' ' A' ' 32' ' ' GLN . 1.8 m-85 -122.76 66.84 0.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 1.0 110.981 155.496 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.56 140.08 8.33 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.512 1.133 . . . . 1.0 111.056 145.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -74.05 65.18 1.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.582 0.813 . . . . 1.0 109.297 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -166.83 -54.27 0.03 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.522 1.139 . . . . 1.0 110.997 176.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.07 177.81 3.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 0.76 . . . . 1.0 109.253 -156.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -159.63 -173.95 28.76 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.477 1.11 . . . . 1.0 111.075 -176.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.27 -178.09 48.28 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.079 -0.808 . . . . 1.0 111.079 -154.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.479 ' CE2' HG21 ' A' ' 49' ' ' THR . 1.7 p90 -159.1 170.05 22.87 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.528 0.781 . . . . 1.0 111.08 172.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 87.6 m -95.38 105.08 17.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 1.0 108.255 -172.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.485 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -83.64 -170.19 2.94 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.531 1.145 . . . . 1.0 110.983 167.855 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.08 89.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 1.0 109.347 -178.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.485 ' N ' ' O ' ' A' ' 42' ' ' TYR . 45.9 m-85 49.8 47.26 23.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 1.0 110.999 177.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -162.47 145.13 11.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 1.0 109.282 164.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 35.0 m -99.81 104.38 16.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 1.0 108.342 -173.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 4.2 t-105 -87.7 121.73 30.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 1.0 108.003 -177.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.671 ' HB3' HD11 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -89.95 143.98 26.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 1.0 108.299 169.804 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.479 HG21 ' CE2' ' A' ' 40' ' ' TYR . 2.1 t -144.52 36.92 1.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 1.0 110.451 -170.161 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.413 ' CG ' ' O ' ' A' ' 49' ' ' THR . 99.4 m-70 -151.22 61.94 0.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 1.0 109.623 168.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.671 HD11 ' HB3' ' A' ' 48' ' ' CYS . 23.0 mt -114.37 167.17 10.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 1.0 109.307 -167.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -108.45 -179.72 3.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 1.0 110.945 163.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -62.4 -23.54 66.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 1.0 110.3 -175.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -93.94 34.63 1.21 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.508 1.13 . . . . 1.0 110.331 177.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.06 123.29 47.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 1.0 109.271 150.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 53.4 mt -86.07 151.48 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.163 . . . . 1.0 109.257 165.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -122.02 143.27 35.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.414 1.072 . . . . 1.0 109.332 176.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.554 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 46.9 t90 -54.27 151.23 13.88 Favored Pre-proline 0 C--N 1.326 -0.446 0 N-CA-C 107.971 -1.122 . . . . 1.0 107.971 -159.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.554 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.2 Cg_endo -75.01 -160.81 2.3 Favored 'Cis proline' 0 C--N 1.361 1.187 0 C-N-CA 120.953 -2.52 . . . . 1.0 110.979 -13.056 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.5 156.72 91.5 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.486 1.116 . . . . 1.0 109.303 151.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -55.54 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.528 1.804 . . . . 1.0 111.014 167.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -102.55 7.64 40.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 1.0 109.288 -156.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -163.69 57.26 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 1.0 109.296 175.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.6 ptt85 -64.98 166.62 8.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 1.0 110.31 173.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 1.0 108.228 -175.942 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 19.4 ttpt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.341 -0.614 . . . . 1.0 109.341 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -93.93 158.11 15.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 1.0 110.256 -158.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 171.53 -167.67 40.76 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.465 1.103 . . . . 1.0 111.029 -178.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -77.62 105.64 8.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 0.747 . . . . 1.0 110.957 176.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -52.45 145.39 11.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 1.0 109.319 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.592 HG21 ' HG ' ' A' ' 60' ' ' LEU . 9.2 p -109.81 154.78 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.588 1.18 . . . . 1.0 109.267 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -86.06 157.84 19.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 1.0 109.325 179.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -105.05 -31.87 8.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 1.0 109.327 171.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.2 -66.96 0.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 1.0 109.316 -170.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 28.3 p -84.82 -28.59 26.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 1.0 110.376 174.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.47 19.67 73.43 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 1.0 110.993 -174.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -104.23 168.58 9.01 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.262 -1.014 . . . . 1.0 108.262 -169.11 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.8 tttt -60.47 136.24 57.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.401 1.063 . . . . 1.0 109.274 167.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -57.12 -46.98 82.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.158 . . . . 1.0 111.001 178.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 62.46 78.22 0.3 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.153 . . . . 1.0 110.334 -175.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 22.6 t -68.16 157.57 35.08 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 1.0 108.297 -174.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.77 -168.25 0.18 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.451 1.094 . . . . 1.0 109.297 -179.222 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -39.59 128.14 1.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 1.0 109.337 173.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 pp -67.69 158.55 32.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 1.0 109.305 -172.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.97 -41.61 2.14 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.471 1.107 . . . . 1.0 110.982 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -75.57 88.59 2.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.777 . . . . 1.0 109.316 -172.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -94.02 50.86 1.45 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.54 1.15 . . . . 1.0 109.279 -169.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -105.25 -58.12 1.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 1.0 109.315 -177.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -73.46 -30.29 63.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 1.0 111.002 -177.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.9 t -57.02 -55.17 38.12 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.496 1.122 . . . . 1.0 108.324 170.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.76 -49.23 75.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.594 1.184 . . . . 1.0 109.36 -177.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.2 mtt85 -55.34 -51.44 66.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 1.0 110.286 -175.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -65.11 -47.7 76.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 1.0 110.325 -173.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.0 t -54.55 -43.11 71.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 1.0 108.231 178.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.6 ttmt -67.2 -53.39 30.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 1.0 109.336 -174.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -99.88 49.15 0.92 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 1.0 110.271 -176.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.458 ' HG3' ' N ' ' A' ' 33' ' ' TYR . 0.1 OUTLIER -165.4 -32.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 1.0 110.272 164.83 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.458 ' N ' ' HG3' ' A' ' 32' ' ' GLN . 0.1 OUTLIER -119.09 38.62 3.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 1.0 111.017 171.536 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.62 136.62 8.6 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.604 1.19 . . . . 1.0 110.976 156.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -78.3 64.6 3.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 0.774 . . . . 1.0 109.252 -169.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -178.31 -39.52 0.06 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.501 1.125 . . . . 1.0 110.967 -177.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.2 171.44 1.33 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 0.802 . . . . 1.0 109.328 178.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -159.88 -168.75 22.29 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.493 1.121 . . . . 1.0 111.015 -176.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.411 ' HA2' HG22 ' A' ' 49' ' ' THR . . . 170.21 -175.02 44.3 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.966 -0.854 . . . . 1.0 110.966 -165.421 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -159.93 167.66 27.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 0.756 . . . . 1.0 110.907 171.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 16.7 t -89.06 101.89 14.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 1.0 108.33 -171.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.537 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -82.92 -165.16 1.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 1.0 111.01 172.499 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.23 85.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 1.0 109.273 -179.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.537 ' N ' ' O ' ' A' ' 42' ' ' TYR . 47.1 m-85 45.64 47.24 11.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 1.0 111.05 -179.15 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -160.52 139.1 10.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 1.0 109.251 168.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 15.0 t -90.42 102.01 14.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 1.0 108.287 -173.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 12.9 t-105 -84.73 114.87 22.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 1.0 107.997 -179.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 29.2 m -96.29 146.16 24.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 1.0 108.299 176.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.418 ' O ' ' CG ' ' A' ' 50' ' ' HIS . 7.7 t -154.81 45.1 0.51 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 1.0 110.383 -161.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.418 ' CG ' ' O ' ' A' ' 49' ' ' THR . 12.3 m-70 -165.24 59.48 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 1.0 109.596 164.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.4 mt -108.11 -177.24 3.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 1.0 109.324 -171.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -107.94 -177.02 3.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 1.0 111.007 167.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -63.37 -20.09 65.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.403 1.064 . . . . 1.0 110.345 -174.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -86.74 17.0 4.23 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 1.0 110.315 178.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.52 133.54 55.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.152 . . . . 1.0 109.245 163.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 8.8 mm -118.43 138.46 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 1.0 109.297 162.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -132.34 145.26 34.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 1.0 109.354 -174.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.544 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 78.1 t90 -60.61 151.59 70.42 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 1.0 107.969 -164.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.544 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.2 Cg_endo -75.04 -179.4 26.56 Favored 'Cis proline' 0 C--N 1.362 1.249 0 C-N-CA 120.998 -2.501 . . . . 1.0 110.992 -15.425 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.592 ' HG ' HG21 ' A' ' 6' ' ' VAL . 1.0 OUTLIER -68.92 147.73 97.85 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 1.0 109.268 173.697 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -35.12 3.29 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.46 1.769 . . . . 1.0 111.032 -147.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -144.71 56.17 1.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 1.0 109.301 171.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.99 162.34 7.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 1.0 109.331 169.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -117.46 165.8 13.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 1.0 110.284 -167.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 1.0 108.252 174.042 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.325 -0.62 . . . . 1.0 109.325 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -84.06 167.47 16.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.571 1.169 . . . . 1.0 110.287 -158.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 159.47 -158.75 29.88 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.53 1.144 . . . . 1.0 111.034 177.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -78.38 122.51 25.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.773 . . . . 1.0 111.052 -177.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.82 160.71 5.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.145 . . . . 1.0 109.326 -169.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.651 HG21 ' HG ' ' A' ' 60' ' ' LEU . 13.1 p -130.8 150.41 34.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 1.0 109.279 175.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -79.11 148.53 32.35 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.547 1.154 . . . . 1.0 109.327 171.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.6 mmtp -92.19 -16.05 26.76 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.561 1.163 . . . . 1.0 109.331 -172.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -98.5 -73.09 0.63 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.458 1.099 . . . . 1.0 109.281 -174.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -84.42 -12.99 53.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 1.0 110.392 -174.395 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 56.78 33.91 64.05 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.594 1.183 . . . . 1.0 111.034 178.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.12 143.12 33.73 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.225 -1.028 . . . . 1.0 108.225 179.173 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.416 ' NZ ' ' OE1' ' A' ' 15' ' ' GLU . 20.7 pttp -65.46 162.11 18.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 1.0 109.281 176.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -101.47 -36.36 8.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.592 1.183 . . . . 1.0 110.961 -175.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.416 ' OE1' ' NZ ' ' A' ' 13' ' ' LYS . 34.4 tt0 63.16 87.71 0.1 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.458 1.099 . . . . 1.0 110.216 170.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.4 t -75.41 88.64 2.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 1.0 108.346 176.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.1 pp -50.76 145.49 6.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 1.0 109.295 167.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.5 tttp 61.95 89.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 1.0 109.318 -170.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.1 pp -61.55 159.51 12.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 1.0 109.294 172.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.89 -59.85 0.65 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 1.0 110.986 176.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -69.9 93.63 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.421 0.718 . . . . 1.0 109.297 -166.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.7 p-10 -85.67 62.38 7.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 1.0 109.28 -175.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -105.87 -66.05 1.02 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 1.0 109.319 172.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -62.32 -37.38 85.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 1.0 111.023 -176.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 44.9 t -54.65 -57.8 10.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 1.0 108.307 172.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.37 -40.32 74.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 1.0 109.278 -172.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.69 -58.7 5.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.388 1.055 . . . . 1.0 110.305 -178.018 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.99 -39.88 75.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 1.0 110.313 -174.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.7 t -58.07 -47.16 84.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 1.0 108.322 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.4 -35.3 68.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 1.0 109.295 -173.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -107.6 36.18 2.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 1.0 110.255 -170.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.487 ' HG3' ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -162.63 -35.67 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.578 1.174 . . . . 1.0 110.278 170.351 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.487 ' N ' ' HG3' ' A' ' 32' ' ' GLN . 0.1 OUTLIER -108.82 26.7 10.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.564 1.165 . . . . 1.0 110.961 174.913 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 108.62 142.84 10.13 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.508 1.13 . . . . 1.0 111.025 160.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -73.56 66.57 1.03 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 1.0 109.271 -176.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -165.9 -51.75 0.02 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.466 1.104 . . . . 1.0 110.935 177.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.52 174.88 2.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.599 0.823 . . . . 1.0 109.267 -162.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.05 -168.89 15.11 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.537 1.148 . . . . 1.0 110.982 177.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 173.62 179.51 44.32 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.0 -0.84 . . . . 1.0 111.0 -161.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.497 ' CE2' HG21 ' A' ' 49' ' ' THR . 0.7 OUTLIER -157.56 166.55 32.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 0.768 . . . . 1.0 111.004 171.411 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 96.1 m -87.32 104.19 16.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.416 1.072 . . . . 1.0 108.3 -175.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.489 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.2 OUTLIER -83.82 -172.85 4.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.399 1.062 . . . . 1.0 110.995 162.022 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.69 90.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 1.0 109.249 -172.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.489 ' N ' ' O ' ' A' ' 42' ' ' TYR . 25.9 m-85 54.02 40.66 31.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 1.0 110.983 174.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -162.5 135.91 6.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 1.0 109.304 167.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.2 t -85.09 109.77 18.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 1.0 108.375 -177.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 2.9 t-105 -86.06 122.12 29.63 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.952 -1.129 . . . . 1.0 107.952 175.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 23.0 m -99.27 139.16 35.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 1.0 108.285 174.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.497 HG21 ' CE2' ' A' ' 40' ' ' TYR . 2.3 t -143.74 46.05 1.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 1.0 110.437 -165.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 63.1 t60 -162.74 61.44 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 1.0 109.669 164.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 14.4 mt -108.65 174.56 5.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.407 1.067 . . . . 1.0 109.285 -170.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -106.84 -175.67 2.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.584 1.178 . . . . 1.0 110.962 177.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -56.42 -19.75 16.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 1.076 . . . . 1.0 110.277 -174.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.17 32.03 1.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 1.0 110.324 176.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -79.25 102.23 8.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 1.0 109.312 166.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 19.5 mm -98.05 146.66 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 1.0 109.328 163.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -133.35 138.49 51.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 1.0 109.331 -174.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.552 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 61.2 t90 -60.77 151.66 71.62 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 1.0 107.958 -155.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.552 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.1 Cg_endo -75.05 -164.25 3.53 Favored 'Cis proline' 0 C--N 1.361 1.196 0 C-N-CA 120.927 -2.531 . . . . 1.0 111.002 -14.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.651 ' HG ' HG21 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -99.29 158.73 31.71 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 1.0 109.302 160.821 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -50.82 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.473 1.775 . . . . 1.0 110.956 -169.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.0 p-10 -103.58 6.36 37.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 1.0 109.262 -160.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -165.05 60.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 1.0 109.323 175.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 50.6 ptt85 -64.03 166.33 7.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 1.0 110.278 170.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 1.0 108.312 175.415 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 48.5 pttt . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.345 -0.613 . . . . 1.0 109.345 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -137.7 141.19 41.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 1.0 110.359 -174.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 177.66 -172.38 45.07 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.516 1.135 . . . . 1.0 110.991 -177.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.403 ' CE1' ' HB3' ' A' ' 45' ' ' ALA . 70.8 m-85 -75.92 111.65 11.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 0.801 . . . . 1.0 110.967 179.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.7 HD22 ' C ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -54.66 161.41 1.51 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 1.0 109.297 -176.732 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.509 ' N ' HD22 ' A' ' 5' ' ' LEU . 9.6 p -134.76 150.33 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 1.0 109.274 -173.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.25 120.05 26.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 1.0 109.307 171.05 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.0 mttt -72.32 -9.74 58.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 1.0 109.265 -170.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -75.98 -77.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 1.0 109.286 176.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.1 p -100.84 -20.96 15.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.387 1.054 . . . . 1.0 110.455 -165.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 57.25 40.0 91.07 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.485 1.115 . . . . 1.0 111.016 -176.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -102.89 -1.26 29.89 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.297 -1.001 . . . . 1.0 108.297 -173.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 pttt 72.67 159.83 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.167 . . . . 1.0 109.279 170.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -105.44 -52.78 2.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 1.0 110.959 -174.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 68.53 158.31 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 1.0 110.316 -175.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 1.149 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 1.6 p -141.88 119.56 11.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.573 1.171 . . . . 1.0 108.3 169.566 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -85.05 50.37 1.93 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 1.0 109.359 -166.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -178.84 80.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 1.0 109.315 -164.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.93 152.51 40.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 1.0 109.365 -168.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.2 -53.98 1.83 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.5 1.125 . . . . 1.0 111.05 -173.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -66.04 96.1 0.3 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 0.762 . . . . 1.0 109.287 -168.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -92.44 53.81 2.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 1.0 109.279 -175.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -106.16 -61.68 1.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 1.0 109.316 177.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -70.65 -30.98 67.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 1.0 111.001 -176.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 1.149 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 45.7 m -71.59 -31.82 67.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 1.0 108.237 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.45 -50.82 68.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.137 . . . . 1.0 109.312 169.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.9 mtt-85 -55.02 -46.95 75.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.422 1.076 . . . . 1.0 110.294 -176.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.35 -52.34 65.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 1.0 110.281 179.339 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -54.61 -40.24 68.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.078 . . . . 1.0 108.325 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -77.44 -22.95 50.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 1.0 109.306 -167.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -109.75 57.11 0.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 1.0 110.327 169.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -178.12 -24.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.098 . . . . 1.0 110.288 146.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.672 ' CD2' HD22 ' A' ' 51' ' ' LEU . 83.8 m-85 -108.05 46.23 0.97 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 1.0 110.997 155.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.27 -7.45 25.51 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.489 1.118 . . . . 1.0 110.986 -178.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -73.69 66.46 1.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 0.759 . . . . 1.0 109.279 172.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 64.25 42.02 98.03 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.541 1.151 . . . . 1.0 111.005 162.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -106.69 170.08 8.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 1.0 109.278 176.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -146.08 -175.41 19.09 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.579 1.174 . . . . 1.0 110.983 168.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.495 ' HA2' HG22 ' A' ' 49' ' ' THR . . . 178.22 179.6 48.24 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.033 -0.827 . . . . 1.0 111.033 -170.335 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.583 ' CE2' HG21 ' A' ' 49' ' ' THR . 2.3 p90 -159.15 174.98 14.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 0.776 . . . . 1.0 110.931 174.376 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 14.1 t -96.37 108.52 21.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 1.0 108.338 -174.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -82.97 -173.13 4.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 1.0 111.007 171.209 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.571 ' O ' ' CG ' ' A' ' 44' ' ' PHE . . . -49.83 -40.29 41.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.105 . . . . 1.0 109.278 -158.214 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.571 ' CG ' ' O ' ' A' ' 43' ' ' ALA . 32.8 m-85 -161.18 71.62 0.41 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 1.0 111.071 156.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' A' ' 44' ' ' PHE . . . -175.09 164.85 3.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 1.0 109.27 156.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.462 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 99.0 m -93.84 104.32 16.39 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.464 1.103 . . . . 1.0 108.257 -171.329 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 7.7 t-105 -93.07 120.63 33.57 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.997 -1.112 . . . . 1.0 107.997 -177.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 33.8 m -101.51 144.31 30.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 1.0 108.321 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.583 HG21 ' CE2' ' A' ' 40' ' ' TYR . 3.0 t -153.1 42.98 0.61 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.464 1.103 . . . . 1.0 110.349 -157.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 16.5 t60 -164.52 56.52 0.14 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.391 1.057 . . . . 1.0 109.628 166.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.672 HD22 ' CD2' ' A' ' 33' ' ' TYR . 11.6 mt -103.81 179.33 4.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 1.0 109.299 -167.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -108.38 -172.23 2.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 1.0 110.956 174.021 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -54.66 -26.52 33.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 1.0 110.332 -177.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -91.38 31.91 1.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.591 1.182 . . . . 1.0 110.331 179.114 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.54 100.11 0.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 1.0 109.355 163.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.6 mm -100.65 138.46 24.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 1.0 109.292 167.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -138.97 143.93 30.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 1.0 109.367 -169.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.545 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 70.3 t90 -59.46 153.16 51.25 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 1.0 108.019 -159.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.545 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.4 Cg_endo -74.98 -160.36 2.17 Favored 'Cis proline' 0 C--N 1.36 1.138 0 C-N-CA 121.024 -2.49 . . . . 1.0 111.016 -16.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.1 154.98 88.53 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 1.0 109.326 153.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 -52.3 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.495 1.787 . . . . 1.0 110.97 173.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.2 p-10 -107.08 6.99 29.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 1.0 109.3 -159.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -164.89 57.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 1.0 109.302 176.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.7 ptt-85 -65.04 165.12 11.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 1.0 110.27 170.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 1.0 108.264 -174.58 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 58.7 tttp . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.308 -0.627 . . . . 1.0 109.308 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -137.75 156.8 47.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 1.0 110.328 176.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 164.83 -167.68 38.7 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.486 1.116 . . . . 1.0 110.993 155.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -74.77 93.74 2.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.394 0.702 . . . . 1.0 110.969 172.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.53 150.16 3.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 1.0 109.351 -165.059 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.5 p -115.96 152.14 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 1.0 109.276 168.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -87.07 153.12 21.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 1.0 109.342 -172.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.7 mttp -98.92 -4.78 32.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 1.0 109.242 -169.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -111.9 -70.63 0.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 1.0 109.278 -175.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.2 p -94.09 -6.47 45.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 1.0 110.359 -175.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 59.19 25.14 59.63 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.449 1.093 . . . . 1.0 110.994 -178.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.483 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -120.02 -160.02 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.273 -1.01 . . . . 1.0 108.273 -173.215 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.483 ' HB2' ' O ' ' A' ' 12' ' ' CYS . 49.6 mttm 82.24 -138.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 1.0 109.277 -178.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.482 ' CG ' ' C ' ' A' ' 13' ' ' LYS . 2.2 p90 30.88 63.62 0.19 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 1.0 110.982 -162.25 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -152.65 61.11 0.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 1.0 110.208 172.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.5 p -72.14 146.96 47.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 1.0 108.317 -176.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -68.62 128.73 37.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 1.0 109.251 -177.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 mtmp? 67.24 162.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 1.0 109.337 179.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -105.94 148.61 27.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 1.0 109.305 169.193 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.75 -29.86 10.67 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.542 1.151 . . . . 1.0 111.01 177.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.31 80.75 1.85 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 0.749 . . . . 1.0 109.314 -177.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -89.76 39.13 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 1.0 109.33 -168.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -103.74 -48.66 3.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 1.0 109.306 172.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -63.92 -32.88 74.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 1.0 110.947 -177.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.4 t -63.58 -56.76 13.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 1.0 108.312 176.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.3 mt -46.65 -50.21 18.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 1.0 109.314 176.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 52.1 mtt-85 -55.62 -52.31 64.23 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 1.0 110.339 -175.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -63.14 -43.33 98.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 1.0 110.28 -174.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.43 -35.22 71.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 1.0 108.316 177.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -69.52 -32.42 71.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 1.0 109.334 -169.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -105.33 43.54 1.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 1.0 110.306 -177.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -166.08 -38.15 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 1.0 110.331 159.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -121.77 25.37 9.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.589 1.181 . . . . 1.0 110.94 177.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.39 78.98 0.32 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.532 1.145 . . . . 1.0 111.04 176.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -106.71 23.87 13.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 0.764 . . . . 1.0 109.288 162.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.88 24.39 30.16 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.542 1.151 . . . . 1.0 111.007 -168.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.02 170.3 16.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.592 0.819 . . . . 1.0 109.257 178.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.94 176.19 21.07 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.434 1.084 . . . . 1.0 110.974 -178.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -179.41 177.41 48.29 Favored Glycine 0 CA--C 1.531 1.085 0 N-CA-C 110.998 -0.841 . . . . 1.0 110.998 -177.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -153.68 169.36 23.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.581 0.812 . . . . 1.0 110.983 171.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.0 m -93.35 106.03 18.04 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 1.0 108.254 -174.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.497 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -82.97 -162.12 0.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 1.0 111.004 167.539 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.2 85.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 1.0 109.317 177.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.497 ' N ' ' O ' ' A' ' 42' ' ' TYR . 53.2 m-85 50.67 49.56 20.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 1.0 110.973 172.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -167.52 167.31 13.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 1.0 109.281 157.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 12.5 t -99.04 108.95 21.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 1.0 108.366 -175.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 10.6 t-105 -85.22 116.76 23.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 1.0 108.034 168.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 13.1 m -103.44 143.65 32.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 1.0 108.276 177.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 t -145.3 49.45 1.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 1.0 110.289 -162.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -170.09 60.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 1.0 109.584 160.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.5 mt -104.68 171.25 7.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 1.0 109.321 -170.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -106.78 -179.5 3.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 1.0 110.993 164.105 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -67.07 -18.51 65.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 1.0 110.292 -173.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -78.4 -2.5 38.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.087 . . . . 1.0 110.228 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -93.44 140.99 28.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 1.0 109.31 171.02 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.8 mt -118.14 151.85 20.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 1.0 109.308 178.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -126.82 148.55 31.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 1.0 109.293 -177.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.596 ' CD1' ' HA ' ' A' ' 59' ' ' PRO . 90.5 t90 -57.94 154.29 29.16 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 1.0 108.058 -157.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.596 ' HA ' ' CD1' ' A' ' 58' ' ' TRP . 18.2 Cg_endo -75.02 -175.66 16.49 Favored 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 121.018 -2.493 . . . . 1.0 110.996 -18.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.1 mt -68.88 154.16 95.21 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 1.0 109.277 154.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -32.15 5.54 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.503 1.791 . . . . 1.0 111.019 -159.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -156.66 54.58 0.54 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 1.0 109.25 169.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.03 59.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 1.0 109.288 167.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 28.0 ptt180 -71.7 170.37 13.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 1.0 110.293 173.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 14.5 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 1.0 108.283 -169.522 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.348 -0.612 . . . . 1.0 109.348 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -114.03 163.77 14.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 1.0 110.352 -170.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 168.26 -164.24 37.83 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.426 1.079 . . . . 1.0 111.039 161.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -67.69 175.79 2.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.579 0.811 . . . . 1.0 111.076 176.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 mp -106.27 156.32 18.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 1.0 109.317 -178.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.7 p -149.44 140.8 17.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.61 1.194 . . . . 1.0 109.261 -161.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -101.65 172.04 7.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 1.0 109.292 175.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -97.91 -14.93 20.38 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.555 1.16 . . . . 1.0 109.36 175.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -80.41 -77.24 0.2 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 1.0 109.365 -176.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.1 p -98.78 -18.78 17.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 1.0 110.409 -176.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.96 -28.7 11.74 Favored Glycine 0 CA--C 1.528 0.906 0 O-C-N 124.56 1.163 . . . . 1.0 111.023 -168.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -53.7 16.74 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.282 -1.007 . . . . 1.0 108.282 -157.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.455 ' HG3' ' CD2' ' A' ' 14' ' ' TYR . 10.2 tptt 72.42 -83.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 1.0 109.27 176.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.455 ' CD2' ' HG3' ' A' ' 13' ' ' LYS . 23.3 m-85 -139.6 144.6 37.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 1.0 110.997 -164.365 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -147.38 84.2 1.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 1.0 110.284 172.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.5 p -59.6 109.15 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 1.0 108.286 179.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.4 mt -80.88 56.73 2.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 1.0 109.358 -172.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 44.2 tptt -174.73 66.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.165 . . . . 1.0 109.342 -169.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 pp -61.99 141.94 57.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 1.0 109.352 -173.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.72 -56.18 0.64 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.475 1.11 . . . . 1.0 110.976 -174.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.63 96.25 1.19 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 0.778 . . . . 1.0 109.293 -168.241 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.9 p-10 -89.81 64.89 6.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 1.0 109.319 -176.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -105.66 -64.47 1.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 1.0 109.266 172.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -70.8 -23.55 62.39 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 1.0 111.078 -170.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 98.8 m -74.76 -37.37 62.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 1.0 108.273 176.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.61 -16.11 59.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 1.0 109.306 -178.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 50.2 mtt85 -79.81 -46.94 16.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 1.0 110.304 166.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -59.87 -56.67 18.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.412 1.07 . . . . 1.0 110.294 -174.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.2 t -52.49 -38.32 59.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 1.0 108.308 -177.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.98 -54.69 12.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 1.0 109.298 -174.148 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -107.61 50.1 0.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 1.0 110.299 -171.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.501 ' HG3' ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -166.99 -34.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 1.0 110.316 160.035 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.576 ' CD1' HD22 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -112.91 35.5 3.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 1.0 111.066 172.389 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.65 135.81 8.32 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.527 1.142 . . . . 1.0 111.021 156.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -79.74 65.54 4.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 0.767 . . . . 1.0 109.338 -168.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -175.9 -42.92 0.06 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.556 1.16 . . . . 1.0 110.978 -179.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.17 159.85 11.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 0.792 . . . . 1.0 109.24 -179.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -134.97 -173.56 13.13 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 1.0 111.008 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 174.13 -178.5 45.96 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.01 -0.836 . . . . 1.0 111.01 -164.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -161.45 173.86 14.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 0.749 . . . . 1.0 110.988 173.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 40.2 t -96.75 109.37 22.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 1.0 108.286 -172.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.471 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -82.84 -165.8 1.16 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.454 1.096 . . . . 1.0 110.934 168.144 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.28 84.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 1.0 109.299 169.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.471 ' N ' ' O ' ' A' ' 42' ' ' TYR . 8.2 m-85 57.48 41.11 26.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 1.0 110.982 167.29 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -161.64 147.34 13.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 1.0 109.293 161.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 96.8 m -86.55 112.21 21.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 1.0 108.304 -177.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 18.7 t-105 -88.36 119.69 29.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 1.0 108.013 172.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.485 ' HB3' HD21 ' A' ' 51' ' ' LEU . 10.8 m -95.48 153.87 17.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 1.0 108.27 173.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.6 t -155.73 57.52 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 1.0 110.402 -174.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -176.87 61.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 1.0 109.539 157.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.576 HD22 ' CD1' ' A' ' 33' ' ' TYR . 20.6 mt -98.92 -175.38 3.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 1.0 109.29 -166.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -106.5 -178.77 3.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 1.0 111.036 172.035 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -68.85 -10.22 55.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 1.0 110.323 -169.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -91.84 30.5 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 1.0 110.264 170.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.31 93.19 3.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 1.0 109.324 166.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 25.0 mm -90.02 142.33 13.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 1.0 109.24 155.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -134.95 143.6 36.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 1.0 109.286 -165.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.629 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 57.6 t90 -62.81 152.71 81.8 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 1.0 107.993 178.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.629 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.3 Cg_endo -74.94 174.5 52.3 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.021 -2.491 . . . . 1.0 111.016 -12.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.6 mt -62.06 152.32 78.01 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 1.0 109.282 158.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -38.85 1.38 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.515 1.798 . . . . 1.0 110.984 -156.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 37.1 p-10 -134.69 31.65 3.35 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.518 1.136 . . . . 1.0 109.329 -177.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.0 pttm -167.22 58.17 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 1.0 109.299 178.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -64.65 163.58 13.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 1.0 110.285 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 1.0 108.289 171.062 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 45.8 pttt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.324 -0.621 . . . . 1.0 109.324 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -120.48 154.84 34.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 1.0 110.241 -179.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 164.64 -167.39 38.44 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.587 1.18 . . . . 1.0 111.004 161.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -66.06 116.98 7.74 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.447 0.733 . . . . 1.0 111.055 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.08 135.42 25.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 1.0 109.311 168.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.3 p -113.16 148.92 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 1.0 109.283 -171.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.23 133.2 37.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 1.0 109.267 170.102 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.2 ttpt -94.03 2.95 55.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 1.0 109.26 -159.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -99.69 -72.68 0.66 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 1.0 109.315 177.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.88 -20.02 19.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 1.0 110.376 -171.57 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 70.5 39.45 68.77 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.571 1.169 . . . . 1.0 111.028 -170.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 21.2 m -81.97 -85.7 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.344 -0.984 . . . . 1.0 108.344 175.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt -176.99 178.99 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 1.0 109.278 -176.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -106.75 -38.16 6.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 1.0 111.006 155.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 66.09 96.67 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 1.0 110.302 169.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 40.1 t -71.91 132.59 44.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 1.0 108.284 -174.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 pp -63.08 101.46 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 1.0 109.299 167.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? 69.52 120.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 1.0 109.297 176.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.94 158.87 15.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.145 . . . . 1.0 109.269 175.04 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.5 -42.37 1.91 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.465 1.103 . . . . 1.0 110.996 172.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -74.72 79.38 2.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 1.0 109.221 -173.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -88.14 49.12 1.74 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 1.0 109.364 -168.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -106.51 -49.62 3.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 1.0 109.269 171.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -64.6 -42.34 95.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.119 . . . . 1.0 110.96 -173.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.909 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 96.7 m -66.89 -43.32 83.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 1.0 108.305 -179.438 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.44 HD21 ' O ' ' A' ' 37' ' ' ALA . 0.2 OUTLIER -59.02 -42.23 89.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 1.0 109.264 176.385 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -66.88 -40.14 87.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 1.0 110.273 -175.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -69.64 -50.73 41.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 1.0 110.236 -173.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -66.04 -21.3 66.38 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.498 1.123 . . . . 1.0 108.25 -177.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -57.0 -55.92 28.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 1.0 109.308 174.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -105.89 41.32 1.42 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 1.0 110.302 -168.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -153.78 -43.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 1.0 110.305 161.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.431 ' CG ' HD12 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -105.11 14.44 29.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 1.0 111.043 -176.067 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 110.11 139.46 8.31 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.512 1.132 . . . . 1.0 111.05 164.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 66.4 mttt -80.3 68.18 6.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 0.773 . . . . 1.0 109.308 -173.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -166.03 44.12 0.27 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.544 1.153 . . . . 1.0 110.984 168.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.44 ' O ' HD21 ' A' ' 26' ' ' LEU . . . -91.11 153.56 19.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.416 0.716 . . . . 1.0 109.297 -164.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.93 -0.45 11.76 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.442 1.089 . . . . 1.0 110.959 171.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -47.56 159.73 0.49 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.974 -0.85 . . . . 1.0 110.974 -176.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -152.27 171.68 17.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 1.0 111.013 -177.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.909 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 47.1 m -89.13 102.4 15.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 1.0 108.286 -172.262 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.499 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -83.29 -167.62 1.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 1.0 111.052 168.098 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.81 88.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 1.0 109.338 -178.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.499 ' N ' ' O ' ' A' ' 42' ' ' TYR . 35.2 m-85 49.57 42.66 23.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 1.0 111.044 177.115 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -162.19 146.04 12.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 1.0 109.315 176.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 93.7 m -94.52 100.98 12.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 1.0 108.257 -175.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 15.6 t-105 -83.75 113.11 20.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 1.0 107.971 174.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 68.1 m -107.23 143.81 34.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.583 1.177 . . . . 1.0 108.268 -178.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.6 t -150.92 36.5 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 1.0 110.388 -160.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -153.5 29.01 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 1.0 109.644 171.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.467 ' H ' HD22 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -68.24 -172.44 0.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 1.0 109.35 176.123 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -106.74 -171.75 1.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 1.0 110.972 170.374 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -53.12 -25.52 13.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 1.0 110.336 -178.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -91.23 32.69 1.01 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 1.0 110.349 178.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.55 100.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 1.0 109.295 164.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 31.1 mm -94.0 131.38 41.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 1.0 109.324 163.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -127.46 145.55 34.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 1.0 109.281 -175.042 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.549 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 75.4 t90 -57.16 153.17 26.49 Favored Pre-proline 0 C--N 1.326 -0.439 0 N-CA-C 108.01 -1.108 . . . . 1.0 108.01 -172.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.549 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.2 Cg_endo -75.06 -174.38 14.04 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 120.981 -2.508 . . . . 1.0 110.966 -16.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.7 152.82 89.19 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 1.0 109.271 154.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -41.61 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.474 1.776 . . . . 1.0 111.045 -156.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -147.42 48.71 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 1.0 109.3 179.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.7 77.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.075 . . . . 1.0 109.273 166.644 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.61 152.23 42.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 1.0 110.351 -156.407 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 1.0 108.318 171.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . 0.401 ' NZ ' ' O ' ' A' ' 53' ' ' GLU . 58.1 tttt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.292 -0.633 . . . . 1.0 109.292 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -93.67 153.18 18.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 1.0 110.25 -159.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.459 ' CA ' HG21 ' A' ' 57' ' ' VAL . . . 173.63 -160.33 30.5 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.461 1.1 . . . . 1.0 111.012 165.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.587 ' O ' HG22 ' A' ' 57' ' ' VAL . 56.4 m-85 -85.86 111.18 19.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 0.748 . . . . 1.0 110.937 177.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.76 164.1 2.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 1.0 109.369 -164.536 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.7 p -123.17 145.81 29.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 1.0 109.297 -167.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -87.03 128.62 35.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 1.0 109.343 173.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.7 mttp -70.29 -21.13 62.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 1.0 109.356 -165.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -87.94 -74.23 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 1.0 109.322 -175.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -92.64 -13.34 29.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 1.0 110.392 -169.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 49.13 44.36 33.44 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.55 1.156 . . . . 1.0 110.963 -171.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -101.6 -3.53 28.23 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.347 -0.983 . . . . 1.0 108.347 179.328 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 71.17 163.68 0.27 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.438 1.086 . . . . 1.0 109.339 170.455 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -110.99 140.82 45.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.428 1.08 . . . . 1.0 110.996 -178.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -91.46 175.15 7.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 1.0 110.334 173.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.9 p -146.27 159.67 43.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 1.0 108.3 165.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 60.0 mt -73.02 -60.19 2.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 1.0 109.352 -158.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.6 mtmm -126.2 137.48 53.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 1.0 109.287 177.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.12 128.96 39.63 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.484 1.115 . . . . 1.0 109.271 173.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.74 -25.69 11.58 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 1.0 111.029 -173.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -75.2 71.41 2.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 1.0 109.276 -177.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -91.54 40.46 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 1.0 109.265 -168.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -105.59 -57.13 2.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 1.0 109.274 -175.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -63.0 -38.27 90.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.414 1.071 . . . . 1.0 111.056 177.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 86.7 m -65.86 -41.35 91.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 1.0 108.264 -174.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.23 -57.84 9.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 1.0 109.373 177.335 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.1 mtm-85 -54.74 -39.44 68.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.399 1.062 . . . . 1.0 110.328 -174.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -63.1 -59.71 4.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 1.0 110.295 -177.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -62.04 -27.29 68.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 1.0 108.229 -176.294 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -65.08 -53.91 38.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 1.0 109.323 178.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -106.93 50.74 0.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 1.0 110.324 -176.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.475 ' HG3' ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -167.08 -33.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 1.0 110.339 168.598 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.475 ' N ' ' HG3' ' A' ' 32' ' ' GLN . 0.1 OUTLIER -119.83 33.36 5.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 1.0 111.046 172.365 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.53 136.73 9.41 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.514 1.134 . . . . 1.0 110.948 163.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.9 mtmm -79.64 69.98 6.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 0.732 . . . . 1.0 109.303 -168.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -169.3 64.7 0.18 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.556 1.16 . . . . 1.0 110.929 165.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -101.09 148.98 24.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 0.763 . . . . 1.0 109.266 -168.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.52 -0.54 10.19 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.507 1.129 . . . . 1.0 110.968 166.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -49.36 164.69 0.43 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.013 -0.835 . . . . 1.0 111.013 -176.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -155.0 -178.42 7.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 0.764 . . . . 1.0 111.001 -173.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 53.4 t -101.26 109.7 21.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 1.0 108.302 -175.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.492 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -83.42 -161.23 0.49 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.09 . . . . 1.0 110.947 167.521 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.36 84.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 1.0 109.353 170.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.492 ' N ' ' O ' ' A' ' 42' ' ' TYR . 28.3 m-85 54.64 38.1 29.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 1.0 110.975 167.158 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -160.98 153.28 20.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 1.0 109.302 166.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 96.8 m -94.19 116.25 28.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 1.0 108.3 -172.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 4.9 t-105 -104.79 124.88 50.2 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.964 -1.125 . . . . 1.0 107.964 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 68.4 m -117.25 146.77 43.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 1.0 108.303 -172.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.44 ' O ' ' OG1' ' A' ' 49' ' ' THR . 1.3 t -154.41 33.6 0.42 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 1.0 110.38 -159.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -159.08 32.94 0.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 1.0 109.582 176.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.571 ' H ' HD22 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -73.83 -175.17 2.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 1.0 109.273 172.62 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -107.48 -177.64 3.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 1.0 111.0 164.028 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.401 ' O ' ' NZ ' ' A' ' 1' ' ' LYS . 11.7 pt-20 -58.56 -24.82 61.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 1.0 110.301 -177.078 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -87.48 32.3 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 1.0 110.29 178.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.52 131.26 43.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.423 1.077 . . . . 1.0 109.319 146.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.6 mp -113.62 126.61 71.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 1.0 109.334 143.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.66 HG22 ' H ' ' A' ' 58' ' ' TRP . 1.6 p -83.38 -178.91 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.421 1.076 . . . . 1.0 109.279 -170.21 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.66 ' H ' HG22 ' A' ' 57' ' ' VAL . 73.9 t90 -69.19 154.05 95.36 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 107.994 -1.113 . . . . 1.0 107.994 -163.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.53 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.4 Cg_endo -74.96 -166.75 5.09 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 120.97 -2.512 . . . . 1.0 111.038 -18.5 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.85 155.55 82.56 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 1.0 109.305 155.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -56.75 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.381 1.727 . . . . 1.0 110.949 170.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.2 p-10 -106.0 8.5 32.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 1.0 109.332 -157.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -163.26 56.7 0.19 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.455 1.097 . . . . 1.0 109.275 177.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 52.2 ptt85 -65.85 167.74 9.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 1.0 110.285 173.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.58 1.175 . . . . 1.0 108.358 175.306 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 79.2 tttt . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.301 -0.629 . . . . 1.0 109.301 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -98.78 158.37 15.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 1.0 110.324 -164.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 166.31 -161.53 35.19 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.486 1.116 . . . . 1.0 110.968 174.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -77.4 122.85 25.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 0.774 . . . . 1.0 111.015 170.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -60.46 167.37 2.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 1.0 109.283 172.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.9 p -136.64 146.58 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 1.0 109.363 -158.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -75.19 117.93 17.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 1.0 109.258 168.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.5 mmmt -75.92 -11.84 60.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.557 1.161 . . . . 1.0 109.291 -164.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -88.83 -77.9 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 1.0 109.325 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.96 -13.84 35.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.079 . . . . 1.0 110.402 -167.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 57.92 45.87 93.15 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.498 1.124 . . . . 1.0 110.992 -175.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m -88.3 154.23 20.57 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.288 -1.005 . . . . 1.0 108.288 163.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -60.38 142.21 55.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 1.0 109.32 -177.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -89.56 115.04 26.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 1.0 110.979 -177.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -96.21 125.84 41.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 1.0 110.396 -167.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -100.62 171.47 7.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 1.0 108.317 176.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.8 mt -80.83 -149.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 1.0 109.31 -173.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.1 ttpt -50.83 127.25 18.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 1.0 109.273 -174.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 pp -61.78 149.54 39.64 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.588 1.18 . . . . 1.0 109.341 -175.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.11 -48.81 1.1 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.531 1.144 . . . . 1.0 111.004 -178.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -71.9 97.96 1.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 0.746 . . . . 1.0 109.314 -169.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -88.74 40.34 0.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 1.0 109.3 -173.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -105.51 -46.11 4.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.459 1.099 . . . . 1.0 109.318 -177.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -72.69 -39.25 67.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 1.0 111.053 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.8 t -55.93 -53.63 54.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 1.0 108.247 175.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.59 -57.79 8.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 1.0 109.302 178.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 -54.12 -47.05 72.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 1.0 110.341 -173.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -63.99 -47.06 81.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.405 1.066 . . . . 1.0 110.267 -171.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -68.39 -27.32 66.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 1.0 108.266 -178.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.3 tptt -64.26 -50.09 69.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 1.0 109.306 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -105.7 46.07 0.94 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 1.0 110.336 -172.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -159.86 -40.18 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 1.0 110.31 158.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -105.47 27.11 8.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 1.0 111.011 178.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 109.19 142.56 9.78 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.537 1.148 . . . . 1.0 111.027 155.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -77.06 65.28 2.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 0.753 . . . . 1.0 109.332 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -173.11 32.09 0.11 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.569 1.168 . . . . 1.0 110.99 166.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -105.42 173.49 6.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 0.757 . . . . 1.0 109.339 -166.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -160.49 169.05 36.18 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.441 1.088 . . . . 1.0 110.982 174.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.454 ' HA2' HG22 ' A' ' 49' ' ' THR . . . 171.44 -176.91 44.56 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.063 -0.815 . . . . 1.0 111.063 -170.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -156.29 171.09 20.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 0.784 . . . . 1.0 111.039 172.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.2 m -98.59 110.41 23.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 1.0 108.384 -171.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.464 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.7 OUTLIER -82.36 -170.52 2.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 1.0 111.049 162.288 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.85 89.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.093 . . . . 1.0 109.301 177.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.464 ' N ' ' O ' ' A' ' 42' ' ' TYR . 32.7 m-85 52.02 45.84 27.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.434 1.084 . . . . 1.0 111.0 176.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -158.99 133.44 7.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 1.0 109.3 176.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.555 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 7.6 t -95.35 102.35 14.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.573 1.171 . . . . 1.0 108.26 -175.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 9.6 t-105 -84.42 117.74 23.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 1.0 107.998 172.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.555 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 69.8 m -110.89 145.98 37.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 1.0 108.274 -178.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.454 HG22 ' HA2' ' A' ' 39' ' ' GLY . 4.4 t -154.99 64.09 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 1.0 110.436 -154.053 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -176.23 31.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 1.0 109.618 -169.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.3 mt -118.26 168.55 10.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 1.0 109.297 -153.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -109.26 179.88 4.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 1.0 111.048 -177.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -59.06 -30.11 67.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 1.0 110.251 -177.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -92.15 31.47 1.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 1.0 110.292 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.69 122.51 46.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.449 1.093 . . . . 1.0 109.323 157.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 29.2 mt -92.17 150.68 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 1.0 109.303 168.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -120.49 147.31 24.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.554 1.159 . . . . 1.0 109.359 176.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.573 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 66.2 t90 -57.08 153.74 23.14 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 1.0 107.997 -169.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.573 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.3 Cg_endo -75.04 -167.43 5.65 Favored 'Cis proline' 0 C--N 1.359 1.115 0 C-N-CA 121.0 -2.5 . . . . 1.0 111.003 -16.196 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.9 156.74 91.25 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 1.0 109.258 152.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -51.43 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.502 1.791 . . . . 1.0 110.976 172.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.6 p-10 -101.39 5.83 42.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 1.0 109.314 -158.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.5 pttp -169.52 67.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 1.0 109.335 174.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.4 ptm85 -68.14 166.5 16.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 1.0 110.267 165.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.42 106.08 1.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 1.0 108.272 175.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.8 p -73.51 86.59 1.57 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.555 1.16 . . . . 1.0 109.987 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.278 -0.638 . . . . 1.0 109.278 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 31.5 mp0 -134.75 129.38 34.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 1.0 110.339 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -161.04 175.59 37.68 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.444 1.09 . . . . 1.0 110.993 -171.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -72.17 146.98 47.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 0.769 . . . . 1.0 110.996 169.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.574 HD13 ' SG ' ' A' ' 48' ' ' CYS . 1.2 tp -82.49 176.28 9.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.092 . . . . 1.0 109.316 -177.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -155.46 147.63 12.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.464 1.103 . . . . 1.0 109.291 -147.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -98.43 147.26 24.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 1.0 109.279 172.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -89.14 -27.5 20.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 1.0 109.328 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -76.94 -77.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 1.0 109.303 -176.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 70.7 p -84.38 -21.41 30.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 1.0 110.396 -172.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 61.95 28.99 71.26 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.141 . . . . 1.0 111.011 -168.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -117.51 143.61 45.89 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.327 -0.99 . . . . 1.0 108.327 177.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.8 tttm 73.23 89.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 1.0 109.264 142.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -138.13 110.38 7.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 1.0 111.046 166.25 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -167.03 169.15 13.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 1.0 110.266 -153.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -141.99 143.79 33.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 1.0 108.344 -179.21 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 pp -70.74 132.06 44.78 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 1.0 109.264 178.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt 69.61 144.48 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 1.0 109.299 -176.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -95.22 160.42 14.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 1.0 109.346 175.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.96 -52.25 0.77 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.558 1.161 . . . . 1.0 110.978 175.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -72.28 90.88 1.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.781 . . . . 1.0 109.35 -168.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.0 p-10 -84.66 59.74 5.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.163 . . . . 1.0 109.32 -174.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -107.03 -66.41 1.02 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 1.0 109.292 173.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -60.1 -39.68 87.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 1.0 110.966 -176.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 92.6 m -66.87 -36.69 82.88 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 1.0 108.308 -177.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.26 -48.01 81.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 1.0 109.235 175.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -61.98 -41.19 97.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 1.0 110.306 -176.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.16 -47.22 85.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 1.0 110.312 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.9 -46.37 74.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 1.0 108.32 176.165 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -81.9 -14.76 55.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 1.0 109.264 -164.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -107.4 56.19 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 1.0 110.252 164.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -177.67 -24.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 1.0 110.304 144.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.567 ' CE1' HD11 ' A' ' 5' ' ' LEU . 90.8 m-85 -107.18 47.04 0.9 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 1.0 110.99 154.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -56.76 -14.58 10.1 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 1.0 111.015 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.45 68.34 1.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 0.737 . . . . 1.0 109.338 174.376 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.03 27.6 55.86 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.516 1.135 . . . . 1.0 110.887 154.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 33' ' ' TYR . . . -106.04 -177.26 3.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 0.767 . . . . 1.0 109.357 -170.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.46 178.33 46.31 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.458 1.099 . . . . 1.0 111.039 -174.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 172.65 178.63 42.88 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.051 -0.82 . . . . 1.0 111.051 -160.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -159.37 179.93 8.52 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.477 0.751 . . . . 1.0 111.062 176.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 56.1 m -99.72 108.45 20.78 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.471 1.107 . . . . 1.0 108.351 -175.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.49 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -83.49 -164.03 0.84 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.572 1.17 . . . . 1.0 110.982 167.017 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.73 86.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 1.0 109.286 176.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.49 ' N ' ' O ' ' A' ' 42' ' ' TYR . 36.8 m-85 51.67 44.04 29.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 1.0 111.013 174.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -161.77 150.04 15.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 1.0 109.257 173.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 68.0 m -102.03 106.14 17.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 1.0 108.32 -169.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 17.2 t-105 -95.38 120.79 36.23 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.016 -1.105 . . . . 1.0 108.016 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.574 ' SG ' HD13 ' A' ' 5' ' ' LEU . 39.4 m -98.33 146.01 26.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 1.0 108.317 175.14 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.419 ' O ' ' CG ' ' A' ' 50' ' ' HIS . 1.8 t -148.7 34.17 0.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 1.0 110.383 -166.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.419 ' CG ' ' O ' ' A' ' 49' ' ' THR . 87.5 m-70 -155.1 34.3 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 1.0 109.645 171.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.589 ' H ' HD22 ' A' ' 51' ' ' LEU . 0.8 OUTLIER -70.54 176.57 3.99 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.557 1.161 . . . . 1.0 109.346 173.005 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.432 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -108.99 -167.78 1.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 1.0 111.016 166.284 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -49.82 -30.14 9.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 1.0 110.217 177.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -93.73 34.82 1.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 1.0 110.308 -178.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.96 121.56 9.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.387 1.054 . . . . 1.0 109.295 155.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.5 mp -111.43 135.12 51.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 1.0 109.274 157.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -139.03 148.62 23.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 1.0 109.309 -166.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.501 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 84.9 t90 -74.44 155.26 87.72 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 107.989 -1.115 . . . . 1.0 107.989 -176.138 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.501 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.2 Cg_endo -75.07 -178.12 22.54 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.997 -2.501 . . . . 1.0 110.995 -23.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.69 156.34 41.08 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 1.0 109.305 176.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -49.54 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.506 1.792 . . . . 1.0 111.03 -171.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.7 p-10 -103.72 4.72 35.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.157 . . . . 1.0 109.293 -162.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.9 ptmt -168.72 64.5 0.06 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.542 1.152 . . . . 1.0 109.311 174.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 50.5 ptt85 -63.87 163.82 11.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 1.0 110.279 166.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 8.5 t -55.08 137.61 46.11 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 1.0 108.297 171.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.641 ' HG ' ' N ' ' A' ' 67' ' ' NH2 . 96.3 p -62.83 -62.81 1.47 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.598 1.187 . . . . 1.0 110.036 -175.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' NH2 . . . . . 0.641 ' N ' ' HG ' ' A' ' 66' ' ' SER . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.306 -0.627 . . . . 1.0 109.306 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -90.06 150.12 22.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 1.0 110.306 -160.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -178.95 -166.59 35.2 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.472 1.107 . . . . 1.0 111.001 177.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -65.63 166.18 11.15 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.531 0.783 . . . . 1.0 110.992 174.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.435 HD13 ' SG ' ' A' ' 48' ' ' CYS . 3.5 mp -84.45 170.14 13.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.583 1.177 . . . . 1.0 109.242 163.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.8 p -154.69 148.5 12.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 1.0 109.28 -172.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -93.66 124.58 37.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 1.0 109.322 170.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.4 mmtp -65.13 -25.84 67.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 1.0 109.315 -168.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -71.94 -78.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 1.0 109.386 -175.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.6 p -95.15 -20.01 19.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 1.0 110.37 -169.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 64.09 40.29 97.98 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.432 1.083 . . . . 1.0 111.025 -163.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -102.92 -169.68 1.69 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.344 -0.984 . . . . 1.0 108.344 169.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.2 mttt 69.76 176.7 0.27 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 1.0 109.306 174.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 48.79 89.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 1.0 111.014 -168.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -158.27 75.0 0.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 1.0 110.273 -169.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.8 t -90.57 90.44 7.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 1.0 108.331 -149.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.2 mt -55.42 140.48 39.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 1.0 109.304 167.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.1 tttt 61.51 77.41 0.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 1.0 109.32 -169.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.7 pp -57.1 150.66 16.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 1.0 109.256 170.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 118.72 -55.98 0.58 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.523 1.139 . . . . 1.0 111.012 -178.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.54 95.9 0.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 0.786 . . . . 1.0 109.299 -164.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -96.09 57.27 1.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 1.0 109.293 -173.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -106.01 -68.78 0.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 1.0 109.312 -176.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -68.5 -27.13 65.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 1.0 110.964 177.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.8 t -57.15 -59.08 5.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 1.0 108.3 171.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.56 -45.17 77.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 1.0 109.292 -175.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.0 mtt85 -58.94 -56.71 18.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 1.0 110.27 -176.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -64.14 -39.93 95.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 1.0 110.289 -174.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 5.8 t -54.22 -53.09 58.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 1.0 108.326 176.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -68.59 -44.49 74.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 1.0 109.241 -168.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -107.43 48.26 0.85 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 1.0 110.267 -175.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.505 ' HG3' ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -167.56 -34.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 1.0 110.29 160.764 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.505 ' N ' ' HG3' ' A' ' 32' ' ' GLN . 0.1 OUTLIER -118.53 38.64 3.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 1.0 111.0 172.658 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 118.63 132.5 4.56 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.524 1.14 . . . . 1.0 110.989 147.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -81.33 63.12 5.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.751 . . . . 1.0 109.27 -166.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 178.61 -42.5 0.08 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.475 1.11 . . . . 1.0 111.011 -174.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.21 163.97 14.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 0.753 . . . . 1.0 109.303 -175.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -134.15 -171.08 12.46 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.441 1.088 . . . . 1.0 111.013 176.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 174.68 172.01 39.36 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.023 -0.831 . . . . 1.0 111.023 -166.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.417 ' CE2' HG21 ' A' ' 49' ' ' THR . 0.6 OUTLIER -157.6 167.88 28.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 0.769 . . . . 1.0 110.99 174.565 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 6.2 m -81.09 99.98 8.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 1.0 108.364 178.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.504 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -81.5 -158.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 1.0 111.017 170.262 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.44 82.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 1.0 109.3 168.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.504 ' N ' ' O ' ' A' ' 42' ' ' TYR . 62.0 m-85 50.43 52.95 13.78 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.173 . . . . 1.0 110.978 166.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -175.32 175.3 2.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.137 . . . . 1.0 109.308 124.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 41.9 t -68.58 101.65 1.32 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 1.0 108.292 -176.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 10.3 t-105 -84.58 116.33 23.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 1.0 107.944 175.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.435 ' SG ' HD13 ' A' ' 5' ' ' LEU . 27.1 m -105.71 142.72 34.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 1.0 108.309 -178.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.417 HG21 ' CE2' ' A' ' 40' ' ' TYR . 1.8 t -148.69 47.99 1.02 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 1.0 110.418 -156.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -167.32 60.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 1.0 109.558 159.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 29.5 mt -104.92 -179.04 3.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 1.0 109.338 -164.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -107.91 -176.61 3.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 1.0 110.996 178.046 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -58.51 -26.98 64.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.1 . . . . 1.0 110.223 -177.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -90.83 29.37 1.35 Allowed 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.557 1.161 . . . . 1.0 110.29 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.58 114.14 7.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 1.0 109.276 162.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 8.0 mm -108.26 137.34 40.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.484 1.115 . . . . 1.0 109.309 166.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -133.74 145.27 33.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.536 1.147 . . . . 1.0 109.313 -167.19 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.522 ' CD1' ' HA ' ' A' ' 59' ' ' PRO . 92.5 t90 -58.7 156.35 24.78 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 1.0 108.027 -172.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.522 ' HA ' ' CD1' ' A' ' 58' ' ' TRP . 18.3 Cg_endo -75.06 -164.71 3.74 Favored 'Cis proline' 0 C--N 1.361 1.203 0 C-N-CA 120.952 -2.52 . . . . 1.0 110.998 -23.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.71 151.59 55.65 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 1.0 109.348 154.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -45.12 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.543 1.812 . . . . 1.0 110.948 -163.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -97.24 3.39 51.4 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 1.0 109.319 -170.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -160.11 113.39 2.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.095 . . . . 1.0 109.368 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.26 144.75 50.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 1.0 110.302 179.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 14.4 t -82.89 147.32 28.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 1.0 108.264 -176.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.562 ' HG ' ' N ' ' A' ' 67' ' ' NH2 . 86.7 p -66.8 -51.33 56.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 1.0 110.001 177.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' NH2 . . . . . 0.562 ' N ' ' HG ' ' A' ' 66' ' ' SER . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.4 tttp . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.334 -0.617 . . . . 1.0 109.334 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -83.83 130.48 34.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.621 1.2 . . . . 1.0 110.279 -161.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -168.92 -174.87 37.88 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.441 1.088 . . . . 1.0 111.033 -177.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -76.95 105.41 8.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.761 . . . . 1.0 111.017 166.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.9 142.07 5.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 1.0 109.267 177.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.9 p -110.23 154.61 11.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.583 1.177 . . . . 1.0 109.287 176.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -89.56 153.61 20.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 1.0 109.296 176.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.4 mttp -89.34 -26.58 21.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 1.0 109.276 -178.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -92.08 -69.98 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 1.0 109.272 -168.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 37.8 p -89.34 -13.32 38.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 1.0 110.327 -177.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 82.72 -11.13 54.26 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.443 1.089 . . . . 1.0 111.05 -171.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 32.1 m -101.74 -84.31 0.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.322 -0.992 . . . . 1.0 108.322 -159.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.535 ' O ' ' C ' ' A' ' 14' ' ' TYR . 1.4 ttmt 58.49 -90.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 1.0 109.284 -170.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.535 ' C ' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -21.77 -70.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.564 1.165 . . . . 1.0 110.988 -148.626 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 14' ' ' TYR . 68.9 mm-40 29.02 66.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 1.0 110.292 -171.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.9 t -82.49 133.17 35.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.547 1.154 . . . . 1.0 108.343 166.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 78.6 mt -72.16 -24.38 61.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 1.0 109.279 -165.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -148.47 -169.81 3.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 1.0 109.3 177.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -105.96 147.91 28.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 1.0 109.312 165.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 118.66 -48.17 0.97 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.526 1.141 . . . . 1.0 110.953 174.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -73.28 93.55 1.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.77 . . . . 1.0 109.3 -169.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -94.65 38.86 1.1 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 1.0 109.29 -169.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -105.16 -50.64 3.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 1.0 109.337 -171.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -73.29 -30.0 63.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 1.0 111.025 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 43.1 t -59.11 -54.51 46.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.466 1.104 . . . . 1.0 108.293 175.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.19 -56.12 18.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 1.0 109.3 178.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.8 mtt85 -56.89 -46.51 81.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 1.0 110.354 -172.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -54.05 -61.13 2.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 1.0 110.288 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.2 m -62.79 -27.78 69.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 1.0 108.316 -171.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -66.94 -47.16 72.51 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 1.0 109.319 177.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -92.16 46.92 1.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 1.0 110.312 -177.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -167.99 -39.08 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 1.0 110.301 157.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -118.77 16.34 13.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.498 1.124 . . . . 1.0 110.989 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.58 79.23 0.45 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.547 1.154 . . . . 1.0 110.991 177.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -105.25 -7.1 19.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 1.0 109.299 156.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 159.5 43.71 0.02 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.583 1.177 . . . . 1.0 110.996 178.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -105.18 131.66 52.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 0.729 . . . . 1.0 109.292 -164.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.45 -179.5 18.4 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.562 1.164 . . . . 1.0 111.055 163.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 175.76 175.06 42.85 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 111.036 -0.825 . . . . 1.0 111.036 -175.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -154.24 168.23 27.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 0.783 . . . . 1.0 110.993 172.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 m -90.37 106.67 18.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 1.0 108.339 -178.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.52 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -82.5 -161.64 0.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 1.0 111.008 164.312 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.63 87.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 1.0 109.273 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.52 ' N ' ' O ' ' A' ' 42' ' ' TYR . 30.9 m-85 55.92 34.94 24.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.398 1.061 . . . . 1.0 110.961 168.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -165.7 166.89 17.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.423 1.077 . . . . 1.0 109.349 166.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.43 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 1.5 t -110.2 106.8 16.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 1.0 108.292 -163.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 11.9 t-105 -84.51 120.65 26.57 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.934 -1.136 . . . . 1.0 107.934 172.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.43 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 66.5 m -111.4 144.23 40.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.406 1.066 . . . . 1.0 108.277 178.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.404 ' O ' ' CG ' ' A' ' 50' ' ' HIS . 1.1 t -145.19 52.28 1.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 1.0 110.394 -158.403 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.404 ' CG ' ' O ' ' A' ' 49' ' ' THR . 14.6 m-70 -160.79 71.3 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 1.0 109.601 149.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 65.2 mt -113.78 158.16 21.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 1.0 109.251 -162.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -108.84 175.53 5.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 1.0 111.001 174.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -50.91 -38.77 52.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 1.0 110.31 -178.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -84.35 -2.15 56.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.16 . . . . 1.0 110.33 -167.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.35 116.04 28.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 1.0 109.27 172.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 18.9 mm -98.83 150.55 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 1.0 109.329 -160.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -130.38 153.43 38.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 1.0 109.365 -174.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.564 ' CD1' ' HA ' ' A' ' 59' ' ' PRO . 48.6 t90 -52.46 159.78 1.53 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 1.0 107.978 -171.322 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.564 ' HA ' ' CD1' ' A' ' 58' ' ' TRP . 18.2 Cg_endo -75.09 -169.5 7.43 Favored 'Cis proline' 0 C--N 1.361 1.189 0 C-N-CA 120.903 -2.54 . . . . 1.0 111.012 -29.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -104.17 162.22 20.53 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 1.0 109.349 152.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 -54.97 0.08 OUTLIER 'Trans proline' 0 C--N 1.358 1.079 0 O-C-N 124.534 1.807 . . . . 1.0 111.025 -164.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -92.64 1.49 57.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 1.0 109.323 -166.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -164.21 122.44 1.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 1.0 109.35 177.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.26 151.08 50.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.165 . . . . 1.0 110.316 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 11.1 t -55.6 142.97 31.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 1.0 108.291 168.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 71.4 p -68.75 -41.54 78.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 1.0 110.02 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.338 -0.616 . . . . 1.0 109.338 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -80.63 113.27 18.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 1.0 110.272 -154.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 174.4 -176.3 46.74 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.439 1.087 . . . . 1.0 110.993 -169.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -74.24 95.6 2.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 0.756 . . . . 1.0 111.012 -177.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -47.37 139.51 6.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 1.0 109.356 -178.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.443 HG21 ' HG ' ' A' ' 60' ' ' LEU . 9.3 p -107.63 148.25 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 1.0 109.224 -177.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -84.3 133.18 34.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 1.0 109.261 -168.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -72.92 -25.15 60.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.568 1.167 . . . . 1.0 109.242 -173.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.428 ' HB3' HG23 ' A' ' 10' ' ' THR . 5.2 m-20 -76.29 -83.07 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 1.0 109.282 177.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.428 HG23 ' HB3' ' A' ' 9' ' ' ASN . 67.2 p -93.53 -12.33 29.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 1.0 110.367 -164.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.83 -1.62 85.8 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.128 . . . . 1.0 111.004 -169.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.461 ' O ' ' C ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -104.33 -82.35 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.254 -1.017 . . . . 1.0 108.254 -176.487 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.531 ' O ' ' N ' ' A' ' 15' ' ' GLU . 68.3 tttt 19.13 -100.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 1.0 109.332 -154.114 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER 21.12 -73.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 1.0 110.993 -130.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 13' ' ' LYS . 11.1 tp10 42.14 86.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.553 1.158 . . . . 1.0 110.312 -167.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.953 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 24.4 p -133.62 81.65 1.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.1 . . . . 1.0 108.345 153.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 pp -51.81 147.86 6.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 1.0 109.251 170.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.2 ttpp 62.57 96.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 1.0 109.295 -174.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.65 160.79 1.22 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.606 1.191 . . . . 1.0 109.248 173.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.41 -42.72 1.89 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.569 1.168 . . . . 1.0 110.961 178.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -92.31 105.7 17.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 0.785 . . . . 1.0 109.279 -166.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -132.58 91.56 2.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 1.0 109.336 173.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -105.28 -52.09 2.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 1.0 109.291 150.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -68.2 -24.23 64.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 1.0 110.978 -171.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.2 m -80.17 -41.3 25.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 1.0 108.283 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.94 -46.88 64.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 1.0 109.315 168.201 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.2 mmm-85 -66.37 -41.57 89.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 1.0 110.261 -178.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -57.87 -54.56 45.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 1.0 110.332 -178.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.97 -39.11 68.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 1.0 108.276 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.7 tttt -65.45 -47.88 74.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 1.0 109.323 -175.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -106.71 45.73 0.96 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.094 . . . . 1.0 110.313 -175.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.408 ' HG3' ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -165.09 -24.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 1.0 110.315 168.335 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.416 ' OH ' ' N ' ' A' ' 56' ' ' ILE . 8.0 m-85 -128.9 66.65 1.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 1.0 110.947 155.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.33 136.74 2.9 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.428 1.08 . . . . 1.0 111.003 150.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -77.03 67.92 3.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.431 0.724 . . . . 1.0 109.303 -175.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -175.68 34.85 0.1 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.564 1.165 . . . . 1.0 110.97 159.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -106.71 179.38 4.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 0.741 . . . . 1.0 109.285 -170.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -169.44 178.68 42.41 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.497 1.123 . . . . 1.0 111.058 -178.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.443 ' HA2' HG22 ' A' ' 49' ' ' THR . . . 173.29 -172.78 45.41 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.027 -0.829 . . . . 1.0 111.027 -167.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -158.01 167.48 29.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 0.762 . . . . 1.0 110.991 166.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 44.8 t -89.28 105.24 17.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 1.0 108.272 -176.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.541 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -82.69 -161.93 0.53 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.61 1.194 . . . . 1.0 110.99 165.445 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.03 87.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 1.0 109.266 -176.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.541 ' N ' ' O ' ' A' ' 42' ' ' TYR . 5.2 m-85 60.85 26.09 15.97 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.593 1.183 . . . . 1.0 110.972 168.097 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 44' ' ' PHE . . . -176.12 157.36 1.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 1.0 109.262 167.177 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.953 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 91.0 m -111.53 118.21 35.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 1.0 108.274 -149.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 4.0 t-105 -84.54 119.84 25.65 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.039 -1.097 . . . . 1.0 108.039 177.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.454 ' CB ' HD11 ' A' ' 51' ' ' LEU . 9.4 m -90.82 148.15 22.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 1.0 108.279 176.248 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.443 HG22 ' HA2' ' A' ' 39' ' ' GLY . 2.6 t -155.1 43.39 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 1.0 110.395 -169.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.4 ' CG ' ' O ' ' A' ' 49' ' ' THR . 73.2 m-70 -152.0 67.31 0.86 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 1.0 109.592 161.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.454 HD11 ' CB ' ' A' ' 48' ' ' CYS . 84.4 mt -124.94 172.74 9.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 1.0 109.28 -163.236 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -107.79 173.39 6.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 1.0 111.069 169.017 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -58.39 -24.42 59.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 1.0 110.291 -172.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -112.86 45.07 1.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 1.0 110.287 -176.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 1' ' ' LYS . . . -107.48 109.47 21.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 1.0 109.339 156.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.416 ' N ' ' OH ' ' A' ' 33' ' ' TYR . 36.7 mm -76.61 143.18 13.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.563 1.164 . . . . 1.0 109.3 -168.295 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -124.2 152.39 29.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 1.0 109.31 -176.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.585 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 87.4 t90 -49.88 151.46 3.24 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 1.0 108.019 -168.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.585 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.2 Cg_endo -75.04 178.82 33.03 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 120.937 -2.526 . . . . 1.0 111.039 -14.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.443 ' HG ' HG21 ' A' ' 6' ' ' VAL . 16.3 mt -67.26 169.92 7.63 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 1.0 109.344 157.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -67.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.501 1.79 . . . . 1.0 111.044 154.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.6 p-10 -98.77 2.03 46.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 1.0 109.304 -141.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.4 pttp -175.51 67.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 1.0 109.295 173.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -77.97 156.84 29.96 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.542 1.151 . . . . 1.0 110.263 177.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 10.9 t -62.44 131.79 50.37 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.474 1.109 . . . . 1.0 108.353 176.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.717 ' HG ' ' N ' ' A' ' 67' ' ' NH2 . 90.8 p -62.64 -72.75 0.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 1.0 110.006 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' NH2 . . . . . 0.717 ' N ' ' HG ' ' A' ' 66' ' ' SER . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.1 tptp . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.256 -0.646 . . . . 1.0 109.256 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.67 -175.22 5.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 1.0 110.345 -155.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.613 ' O ' ' CE3' ' A' ' 47' ' ' TRP . . . 156.08 -40.21 0.58 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.421 1.076 . . . . 1.0 111.029 164.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 162.67 96.69 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 0.753 . . . . 1.0 110.984 -167.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.45 144.14 13.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 1.0 109.286 176.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.6 p -122.45 148.91 25.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 1.0 109.335 -166.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -71.08 119.23 14.9 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.468 1.105 . . . . 1.0 109.291 169.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -78.33 -7.86 57.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 1.0 109.299 -160.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -94.6 -76.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 1.0 109.308 179.243 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.39 -18.27 27.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 1.0 110.378 -169.248 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 60.9 38.98 96.28 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.505 1.128 . . . . 1.0 110.999 -170.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -101.4 -175.77 2.95 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.27 -1.011 . . . . 1.0 108.27 -177.152 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.9 ptmm? -56.59 154.95 8.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 1.0 109.302 175.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -126.49 -43.51 1.75 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 1.0 111.023 171.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 66.34 86.06 0.14 Allowed 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.424 1.078 . . . . 1.0 110.323 156.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.7 p -73.76 -25.58 60.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.398 1.061 . . . . 1.0 108.331 -175.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.0 mt 62.7 160.97 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 1.0 109.302 -172.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.1 tttm 56.28 74.17 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 1.0 109.311 171.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 pp -57.0 143.42 38.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 1.0 109.305 -175.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.73 -45.52 1.31 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.528 1.142 . . . . 1.0 111.019 -175.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -71.69 88.82 0.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 0.782 . . . . 1.0 109.288 -169.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -90.24 60.14 4.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 1.0 109.297 -174.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -105.38 -68.12 0.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 1.0 109.299 177.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -68.26 -27.53 66.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 1.0 110.997 -172.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 87.0 m -66.78 -42.49 85.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.399 1.062 . . . . 1.0 108.312 174.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.37 -42.77 92.4 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.502 1.126 . . . . 1.0 109.282 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 -59.06 -47.61 84.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 1.0 110.317 -178.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -60.89 -54.56 43.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 1.0 110.252 177.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -53.11 -36.19 60.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 1.0 108.235 -177.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.25 -60.54 3.59 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.484 1.115 . . . . 1.0 109.282 -178.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -91.67 45.11 1.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 1.0 110.333 -169.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -159.6 -41.94 0.05 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 1.0 110.294 149.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -101.38 -5.32 25.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 1.0 110.967 -174.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.07 78.91 0.77 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.484 1.115 . . . . 1.0 110.954 -169.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -107.23 49.71 0.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 0.728 . . . . 1.0 109.373 158.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.38 12.45 63.03 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 1.0 110.971 -172.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.36 176.32 9.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 0.734 . . . . 1.0 109.29 -178.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -155.53 171.24 33.57 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.472 1.108 . . . . 1.0 111.032 -177.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.42 160.52 24.31 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.056 -0.817 . . . . 1.0 111.056 -172.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.1 p90 -149.78 179.1 8.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.506 0.768 . . . . 1.0 111.024 -171.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 45.3 t -102.15 107.69 18.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 1.0 108.307 -174.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.497 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -82.45 -161.54 0.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 1.0 111.035 171.125 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.72 85.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 1.0 109.272 174.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.497 ' N ' ' O ' ' A' ' 42' ' ' TYR . 5.3 m-85 55.77 37.73 29.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 1.0 111.036 171.244 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -166.33 151.66 8.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 1.0 109.275 175.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 95.0 m -87.38 144.63 26.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 1.0 108.343 -176.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.613 ' CE3' ' O ' ' A' ' 3' ' ' GLY . 1.5 t-105 -128.87 127.42 41.8 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.014 -1.106 . . . . 1.0 108.014 167.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.473 ' CB ' HD21 ' A' ' 51' ' ' LEU . 8.9 m -106.5 134.76 49.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 1.0 108.291 177.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.44 ' O ' ' OG1' ' A' ' 49' ' ' THR . 1.1 t -131.06 30.48 4.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 1.0 110.389 -153.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -174.63 42.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 1.0 109.58 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.66 ' N ' HD13 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -82.32 176.28 9.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 1.0 109.324 164.663 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.49 ' CD1' ' N ' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -107.82 -166.19 1.12 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.543 1.152 . . . . 1.0 111.005 -170.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -43.6 -30.7 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 1.0 110.308 175.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -100.14 38.26 1.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 1.0 110.3 -177.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.41 101.67 0.78 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 1.0 109.332 164.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 22.3 mm -88.56 117.98 33.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.447 1.092 . . . . 1.0 109.257 165.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -117.89 146.22 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 1.0 109.294 -175.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.552 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 42.5 t90 -59.03 152.47 50.54 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.492 1.12 . . . . 1.0 108.072 -166.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.552 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.1 Cg_endo -75.0 -162.46 2.79 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 120.973 -2.511 . . . . 1.0 110.986 -14.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.21 147.57 83.11 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 1.0 109.259 154.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -58.85 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.799 . . . . 1.0 111.027 -157.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -111.16 23.9 13.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.565 1.165 . . . . 1.0 109.271 -172.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.66 58.3 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 1.0 109.284 166.224 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.81 160.3 20.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 1.0 110.268 174.033 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 11.9 t -66.74 147.17 53.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 1.0 108.242 -172.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.743 ' HG ' ' N ' ' A' ' 67' ' ' NH2 . 96.2 p -59.27 -68.09 0.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 1.0 109.972 177.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' NH2 . . . . . 0.743 ' N ' ' HG ' ' A' ' 66' ' ' SER . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.5 pttt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.292 -0.633 . . . . 1.0 109.292 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -115.4 -173.68 2.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 1.0 110.321 -176.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 153.03 -167.29 31.7 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.48 1.112 . . . . 1.0 110.952 158.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -66.62 102.4 0.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 0.795 . . . . 1.0 110.95 171.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.641 ' C ' HD23 ' A' ' 5' ' ' LEU . 1.0 OUTLIER -44.11 139.46 2.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 1.0 109.306 168.064 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.568 HG21 ' HG ' ' A' ' 60' ' ' LEU . 13.4 p -111.54 143.3 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 1.0 109.35 -176.054 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.85 134.94 47.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 1.0 109.296 -173.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.45 6.9 46.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 1.0 109.274 -160.325 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -100.63 -72.34 0.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 1.0 109.273 169.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.72 -17.6 14.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.113 . . . . 1.0 110.373 -169.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.8 35.28 89.43 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.524 1.14 . . . . 1.0 110.972 -171.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.86 95.3 5.7 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.255 -1.017 . . . . 1.0 108.255 -175.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.6 tttt 77.77 148.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 1.0 109.317 162.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.501 ' CE1' HD22 ' A' ' 5' ' ' LEU . 22.4 t80 -154.42 68.35 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 1.0 110.957 174.187 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -126.96 159.46 33.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.135 . . . . 1.0 110.312 -163.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.5 m -108.42 171.29 7.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 1.0 108.304 -173.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 67.8 mt -77.53 -50.75 11.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 1.0 109.366 176.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -130.7 171.08 13.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 1.0 109.235 171.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.7 pp -84.98 145.15 27.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 1.0 109.295 174.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.99 -7.31 73.24 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.536 1.148 . . . . 1.0 111.004 -177.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -79.58 56.43 2.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 0.729 . . . . 1.0 109.277 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 22.2 p-10 -89.66 46.02 1.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 1.0 109.327 -157.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.38 -60.7 1.62 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 1.0 109.311 175.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -59.54 -36.27 75.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 1.0 110.982 -178.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 60.3 m -63.84 -51.73 63.32 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.566 1.167 . . . . 1.0 108.248 -179.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.33 -49.78 75.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 1.0 109.311 178.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.1 mtm180 -66.2 -44.63 83.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 1.0 110.295 -165.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -65.32 -40.33 93.58 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.552 1.158 . . . . 1.0 110.317 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -59.19 -36.61 75.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 1.0 108.323 172.016 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -77.64 -20.06 54.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 1.0 109.304 -172.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -100.53 44.57 1.01 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 1.0 110.319 174.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -174.98 -25.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.443 1.09 . . . . 1.0 110.294 153.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -111.26 45.42 1.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 1.0 111.023 158.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -46.74 -25.67 2.36 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.415 1.072 . . . . 1.0 110.941 172.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -73.57 67.82 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 1.0 109.316 175.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.9 67.47 1.48 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.503 1.127 . . . . 1.0 110.991 165.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -107.13 138.68 42.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.76 . . . . 1.0 109.273 169.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -134.03 -1.38 3.67 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.446 1.091 . . . . 1.0 110.975 -174.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.05 -171.88 3.1 Favored Glycine 0 CA--C 1.531 1.08 0 N-CA-C 110.964 -0.855 . . . . 1.0 110.964 -173.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -169.72 179.3 3.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 0.788 . . . . 1.0 110.98 -154.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 56.3 m -97.09 107.7 20.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.167 . . . . 1.0 108.276 -178.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.491 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -82.91 -164.48 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 1.0 110.985 169.615 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.24 88.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 1.0 109.279 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.491 ' N ' ' O ' ' A' ' 42' ' ' TYR . 37.2 m-85 53.44 40.4 31.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 1.0 111.004 172.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -161.85 145.42 12.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 1.0 109.323 166.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 86.2 m -88.5 130.13 35.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 1.0 108.325 175.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 2.9 t-105 -129.62 132.28 46.7 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.949 -1.13 . . . . 1.0 107.949 -178.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 66.9 m -103.74 143.5 32.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 1.0 108.278 -179.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 t -155.31 60.77 0.63 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 1.0 110.39 -162.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -175.05 38.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 1.0 109.639 -175.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.7 mt -113.98 170.09 8.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 1.0 109.307 -158.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -108.66 -173.87 2.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 1.0 111.032 174.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -58.86 -22.58 59.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 1.0 110.326 -175.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -92.35 33.95 1.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 1.0 110.299 175.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.83 127.64 32.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 1.0 109.291 159.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.6 mm -114.07 122.07 67.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 1.0 109.268 170.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -134.36 149.24 29.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 1.0 109.376 -169.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.531 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 73.3 t90 -60.1 152.16 62.88 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.573 1.171 . . . . 1.0 107.982 -166.14 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.531 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.0 Cg_endo -75.05 -177.26 20.01 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.037 -2.485 . . . . 1.0 110.958 -16.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.568 ' HG ' HG21 ' A' ' 6' ' ' VAL . 2.3 mt -75.03 150.75 85.94 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 1.0 109.292 166.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -34.55 3.83 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.475 1.776 . . . . 1.0 111.012 -155.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -148.65 49.58 1.01 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.556 1.16 . . . . 1.0 109.274 172.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.42 59.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 1.0 109.348 167.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.0 ptt-85 -66.91 171.68 5.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 1.0 110.306 173.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 5.8 t -65.37 143.52 57.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 1.0 108.259 167.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.745 ' HG ' ' N ' ' A' ' 67' ' ' NH2 . 98.1 p -54.98 -67.03 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 1.0 110.023 -174.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' NH2 . . . . . 0.745 ' N ' ' HG ' ' A' ' 66' ' ' SER . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.338 -0.616 . . . . 1.0 109.338 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.522 ' HA ' HD12 ' A' ' 51' ' ' LEU . 24.9 mt-10 -126.49 152.68 46.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 1.0 110.334 169.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 166.96 -166.19 39.0 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.573 1.17 . . . . 1.0 111.006 -171.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -77.69 126.56 31.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 0.793 . . . . 1.0 111.042 -175.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -63.01 162.44 11.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 1.0 109.315 -175.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -137.33 144.68 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 1.0 109.319 -169.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -78.25 129.31 34.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 1.0 109.313 173.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.52 -21.91 61.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 1.0 109.238 -174.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -79.2 -80.64 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 1.0 109.287 -178.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 73.6 p -84.18 -21.87 31.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 1.0 110.411 -168.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 51.49 40.22 46.47 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.501 1.126 . . . . 1.0 111.049 -166.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -93.72 157.34 16.21 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.249 -1.019 . . . . 1.0 108.249 177.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -58.69 132.28 53.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 1.0 109.33 -167.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -125.89 125.42 42.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 1.0 111.019 -176.227 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -154.93 172.2 18.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 1.0 110.367 -157.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.1 t -82.13 -46.73 13.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 1.0 108.267 -168.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 24.7 mt 59.21 122.41 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 1.0 109.316 -143.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.7 tttm 66.14 101.54 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 1.0 109.344 -175.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.38 167.2 7.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.583 1.177 . . . . 1.0 109.356 175.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.82 -58.05 0.64 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.108 . . . . 1.0 110.941 173.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -73.83 93.97 2.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.529 0.782 . . . . 1.0 109.337 -165.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -84.18 50.68 1.9 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 1.0 109.278 -173.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -106.63 -56.62 2.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.555 1.159 . . . . 1.0 109.25 -175.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -74.39 -30.98 62.18 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.488 1.118 . . . . 1.0 110.98 -179.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 81.7 m -59.76 -45.36 92.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 1.0 108.279 174.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.99 -47.8 83.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.388 1.055 . . . . 1.0 109.288 -179.181 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.1 mtt85 -58.42 -51.45 69.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 1.0 110.285 -175.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -67.03 -40.61 87.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 1.0 110.278 -173.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 m -56.26 -42.71 77.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 1.0 108.289 173.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -65.88 -55.14 18.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 1.0 109.35 -172.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -98.94 47.42 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 1.0 110.332 -175.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.401 ' HG3' ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -167.6 -26.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 1.0 110.313 165.58 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.401 ' N ' ' HG3' ' A' ' 32' ' ' GLN . 1.8 m-85 -122.76 66.84 0.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 1.0 110.981 155.496 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.56 140.08 8.33 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.512 1.133 . . . . 1.0 111.056 145.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -74.05 65.18 1.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.582 0.813 . . . . 1.0 109.297 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -166.83 -54.27 0.03 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.522 1.139 . . . . 1.0 110.997 176.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.07 177.81 3.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 0.76 . . . . 1.0 109.253 -156.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -159.63 -173.95 28.76 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.477 1.11 . . . . 1.0 111.075 -176.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.27 -178.09 48.28 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.079 -0.808 . . . . 1.0 111.079 -154.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.479 ' CE2' HG21 ' A' ' 49' ' ' THR . 1.7 p90 -159.1 170.05 22.87 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.528 0.781 . . . . 1.0 111.08 172.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 87.6 m -95.38 105.08 17.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 1.0 108.255 -172.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.485 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -83.64 -170.19 2.94 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.531 1.145 . . . . 1.0 110.983 167.855 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.08 89.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 1.0 109.347 -178.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.485 ' N ' ' O ' ' A' ' 42' ' ' TYR . 45.9 m-85 49.8 47.26 23.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 1.0 110.999 177.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -162.47 145.13 11.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 1.0 109.282 164.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 35.0 m -99.81 104.38 16.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 1.0 108.342 -173.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 4.2 t-105 -87.7 121.73 30.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 1.0 108.003 -177.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.671 ' HB3' HD11 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -89.95 143.98 26.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 1.0 108.299 169.804 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.479 HG21 ' CE2' ' A' ' 40' ' ' TYR . 2.1 t -144.52 36.92 1.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 1.0 110.451 -170.161 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.413 ' CG ' ' O ' ' A' ' 49' ' ' THR . 99.4 m-70 -151.22 61.94 0.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 1.0 109.623 168.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.671 HD11 ' HB3' ' A' ' 48' ' ' CYS . 23.0 mt -114.37 167.17 10.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 1.0 109.307 -167.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -108.45 -179.72 3.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 1.0 110.945 163.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -62.4 -23.54 66.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 1.0 110.3 -175.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -93.94 34.63 1.21 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.508 1.13 . . . . 1.0 110.331 177.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.06 123.29 47.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 1.0 109.271 150.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 53.4 mt -86.07 151.48 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.163 . . . . 1.0 109.257 165.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -122.02 143.27 35.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.414 1.072 . . . . 1.0 109.332 176.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.554 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 46.9 t90 -54.27 151.23 13.88 Favored Pre-proline 0 C--N 1.326 -0.446 0 N-CA-C 107.971 -1.122 . . . . 1.0 107.971 -159.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.554 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.2 Cg_endo -75.01 -160.81 2.3 Favored 'Cis proline' 0 C--N 1.361 1.187 0 C-N-CA 120.953 -2.52 . . . . 1.0 110.979 -13.056 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.5 156.72 91.5 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.486 1.116 . . . . 1.0 109.303 151.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -55.54 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.528 1.804 . . . . 1.0 111.014 167.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -102.55 7.64 40.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 1.0 109.288 -156.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -163.69 57.26 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 1.0 109.296 175.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.6 ptt85 -64.98 166.62 8.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 1.0 110.31 173.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.1 t -68.14 154.93 40.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 1.0 108.228 -175.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 78.5 p -71.93 86.49 1.0 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 1.0 109.991 177.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 19.4 ttpt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.341 -0.614 . . . . 1.0 109.341 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -93.93 158.11 15.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 1.0 110.256 -158.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 171.53 -167.67 40.76 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.465 1.103 . . . . 1.0 111.029 -178.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -77.62 105.64 8.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 0.747 . . . . 1.0 110.957 176.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -52.45 145.39 11.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 1.0 109.319 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.592 HG21 ' HG ' ' A' ' 60' ' ' LEU . 9.2 p -109.81 154.78 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.588 1.18 . . . . 1.0 109.267 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -86.06 157.84 19.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 1.0 109.325 179.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -105.05 -31.87 8.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 1.0 109.327 171.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.2 -66.96 0.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 1.0 109.316 -170.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 28.3 p -84.82 -28.59 26.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 1.0 110.376 174.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.47 19.67 73.43 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 1.0 110.993 -174.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -104.23 168.58 9.01 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.262 -1.014 . . . . 1.0 108.262 -169.11 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.8 tttt -60.47 136.24 57.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.401 1.063 . . . . 1.0 109.274 167.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -57.12 -46.98 82.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.158 . . . . 1.0 111.001 178.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 62.46 78.22 0.3 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.153 . . . . 1.0 110.334 -175.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 22.6 t -68.16 157.57 35.08 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 1.0 108.297 -174.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.77 -168.25 0.18 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.451 1.094 . . . . 1.0 109.297 -179.222 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -39.59 128.14 1.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 1.0 109.337 173.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 pp -67.69 158.55 32.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 1.0 109.305 -172.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.97 -41.61 2.14 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.471 1.107 . . . . 1.0 110.982 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -75.57 88.59 2.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.777 . . . . 1.0 109.316 -172.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -94.02 50.86 1.45 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.54 1.15 . . . . 1.0 109.279 -169.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -105.25 -58.12 1.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 1.0 109.315 -177.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -73.46 -30.29 63.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 1.0 111.002 -177.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.9 t -57.02 -55.17 38.12 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.496 1.122 . . . . 1.0 108.324 170.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.76 -49.23 75.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.594 1.184 . . . . 1.0 109.36 -177.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.2 mtt85 -55.34 -51.44 66.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 1.0 110.286 -175.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -65.11 -47.7 76.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 1.0 110.325 -173.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.0 t -54.55 -43.11 71.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 1.0 108.231 178.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.6 ttmt -67.2 -53.39 30.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 1.0 109.336 -174.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -99.88 49.15 0.92 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 1.0 110.271 -176.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.458 ' HG3' ' N ' ' A' ' 33' ' ' TYR . 0.1 OUTLIER -165.4 -32.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 1.0 110.272 164.83 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.458 ' N ' ' HG3' ' A' ' 32' ' ' GLN . 0.1 OUTLIER -119.09 38.62 3.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 1.0 111.017 171.536 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.62 136.62 8.6 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.604 1.19 . . . . 1.0 110.976 156.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -78.3 64.6 3.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 0.774 . . . . 1.0 109.252 -169.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -178.31 -39.52 0.06 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.501 1.125 . . . . 1.0 110.967 -177.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.2 171.44 1.33 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 0.802 . . . . 1.0 109.328 178.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -159.88 -168.75 22.29 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.493 1.121 . . . . 1.0 111.015 -176.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.411 ' HA2' HG22 ' A' ' 49' ' ' THR . . . 170.21 -175.02 44.3 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.966 -0.854 . . . . 1.0 110.966 -165.421 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -159.93 167.66 27.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 0.756 . . . . 1.0 110.907 171.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 16.7 t -89.06 101.89 14.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 1.0 108.33 -171.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.537 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -82.92 -165.16 1.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 1.0 111.01 172.499 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.23 85.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 1.0 109.273 -179.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.537 ' N ' ' O ' ' A' ' 42' ' ' TYR . 47.1 m-85 45.64 47.24 11.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 1.0 111.05 -179.15 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -160.52 139.1 10.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 1.0 109.251 168.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 15.0 t -90.42 102.01 14.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 1.0 108.287 -173.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 12.9 t-105 -84.73 114.87 22.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 1.0 107.997 -179.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 29.2 m -96.29 146.16 24.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 1.0 108.299 176.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.418 ' O ' ' CG ' ' A' ' 50' ' ' HIS . 7.7 t -154.81 45.1 0.51 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 1.0 110.383 -161.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.418 ' CG ' ' O ' ' A' ' 49' ' ' THR . 12.3 m-70 -165.24 59.48 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 1.0 109.596 164.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.4 mt -108.11 -177.24 3.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 1.0 109.324 -171.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -107.94 -177.02 3.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 1.0 111.007 167.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -63.37 -20.09 65.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.403 1.064 . . . . 1.0 110.345 -174.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -86.74 17.0 4.23 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 1.0 110.315 178.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.52 133.54 55.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.152 . . . . 1.0 109.245 163.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 8.8 mm -118.43 138.46 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 1.0 109.297 162.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -132.34 145.26 34.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 1.0 109.354 -174.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.544 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 78.1 t90 -60.61 151.59 70.42 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 1.0 107.969 -164.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.544 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.2 Cg_endo -75.04 -179.4 26.56 Favored 'Cis proline' 0 C--N 1.362 1.249 0 C-N-CA 120.998 -2.501 . . . . 1.0 110.992 -15.425 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.592 ' HG ' HG21 ' A' ' 6' ' ' VAL . 1.0 OUTLIER -68.92 147.73 97.85 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 1.0 109.268 173.697 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -35.12 3.29 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.46 1.769 . . . . 1.0 111.032 -147.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -144.71 56.17 1.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 1.0 109.301 171.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.99 162.34 7.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 1.0 109.331 169.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -117.46 165.8 13.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 1.0 110.284 -167.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 48.5 t -54.76 131.74 44.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 1.0 108.252 174.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.687 ' HG ' ' N ' ' A' ' 67' ' ' NH2 . 87.8 p -58.95 -72.18 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 1.0 109.948 177.318 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' NH2 . . . . . 0.687 ' N ' ' HG ' ' A' ' 66' ' ' SER . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.325 -0.62 . . . . 1.0 109.325 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -84.06 167.47 16.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.571 1.169 . . . . 1.0 110.287 -158.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 159.47 -158.75 29.88 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.53 1.144 . . . . 1.0 111.034 177.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -78.38 122.51 25.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.773 . . . . 1.0 111.052 -177.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.82 160.71 5.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.145 . . . . 1.0 109.326 -169.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.651 HG21 ' HG ' ' A' ' 60' ' ' LEU . 13.1 p -130.8 150.41 34.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 1.0 109.279 175.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -79.11 148.53 32.35 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.547 1.154 . . . . 1.0 109.327 171.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.6 mmtp -92.19 -16.05 26.76 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.561 1.163 . . . . 1.0 109.331 -172.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -98.5 -73.09 0.63 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.458 1.099 . . . . 1.0 109.281 -174.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -84.42 -12.99 53.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 1.0 110.392 -174.395 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 56.78 33.91 64.05 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.594 1.183 . . . . 1.0 111.034 178.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.12 143.12 33.73 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.225 -1.028 . . . . 1.0 108.225 179.173 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.416 ' NZ ' ' OE1' ' A' ' 15' ' ' GLU . 20.7 pttp -65.46 162.11 18.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 1.0 109.281 176.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -101.47 -36.36 8.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.592 1.183 . . . . 1.0 110.961 -175.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.416 ' OE1' ' NZ ' ' A' ' 13' ' ' LYS . 34.4 tt0 63.16 87.71 0.1 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.458 1.099 . . . . 1.0 110.216 170.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.4 t -75.41 88.64 2.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 1.0 108.346 176.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.1 pp -50.76 145.49 6.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 1.0 109.295 167.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.5 tttp 61.95 89.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 1.0 109.318 -170.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.1 pp -61.55 159.51 12.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 1.0 109.294 172.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.89 -59.85 0.65 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 1.0 110.986 176.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -69.9 93.63 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.421 0.718 . . . . 1.0 109.297 -166.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.7 p-10 -85.67 62.38 7.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 1.0 109.28 -175.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -105.87 -66.05 1.02 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 1.0 109.319 172.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -62.32 -37.38 85.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 1.0 111.023 -176.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 44.9 t -54.65 -57.8 10.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 1.0 108.307 172.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.37 -40.32 74.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 1.0 109.278 -172.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.69 -58.7 5.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.388 1.055 . . . . 1.0 110.305 -178.018 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.99 -39.88 75.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 1.0 110.313 -174.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.7 t -58.07 -47.16 84.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 1.0 108.322 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.4 -35.3 68.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 1.0 109.295 -173.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -107.6 36.18 2.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 1.0 110.255 -170.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.487 ' HG3' ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -162.63 -35.67 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.578 1.174 . . . . 1.0 110.278 170.351 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.487 ' N ' ' HG3' ' A' ' 32' ' ' GLN . 0.1 OUTLIER -108.82 26.7 10.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.564 1.165 . . . . 1.0 110.961 174.913 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 108.62 142.84 10.13 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.508 1.13 . . . . 1.0 111.025 160.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -73.56 66.57 1.03 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 1.0 109.271 -176.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -165.9 -51.75 0.02 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.466 1.104 . . . . 1.0 110.935 177.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.52 174.88 2.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.599 0.823 . . . . 1.0 109.267 -162.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.05 -168.89 15.11 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.537 1.148 . . . . 1.0 110.982 177.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 173.62 179.51 44.32 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.0 -0.84 . . . . 1.0 111.0 -161.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.497 ' CE2' HG21 ' A' ' 49' ' ' THR . 0.7 OUTLIER -157.56 166.55 32.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 0.768 . . . . 1.0 111.004 171.411 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 96.1 m -87.32 104.19 16.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.416 1.072 . . . . 1.0 108.3 -175.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.489 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.2 OUTLIER -83.82 -172.85 4.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.399 1.062 . . . . 1.0 110.995 162.022 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.69 90.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 1.0 109.249 -172.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.489 ' N ' ' O ' ' A' ' 42' ' ' TYR . 25.9 m-85 54.02 40.66 31.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 1.0 110.983 174.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -162.5 135.91 6.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 1.0 109.304 167.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.2 t -85.09 109.77 18.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 1.0 108.375 -177.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 2.9 t-105 -86.06 122.12 29.63 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.952 -1.129 . . . . 1.0 107.952 175.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 23.0 m -99.27 139.16 35.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 1.0 108.285 174.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.497 HG21 ' CE2' ' A' ' 40' ' ' TYR . 2.3 t -143.74 46.05 1.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 1.0 110.437 -165.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 63.1 t60 -162.74 61.44 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 1.0 109.669 164.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 14.4 mt -108.65 174.56 5.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.407 1.067 . . . . 1.0 109.285 -170.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -106.84 -175.67 2.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.584 1.178 . . . . 1.0 110.962 177.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -56.42 -19.75 16.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 1.076 . . . . 1.0 110.277 -174.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.17 32.03 1.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 1.0 110.324 176.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -79.25 102.23 8.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 1.0 109.312 166.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 19.5 mm -98.05 146.66 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 1.0 109.328 163.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -133.35 138.49 51.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 1.0 109.331 -174.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.552 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 61.2 t90 -60.77 151.66 71.62 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 1.0 107.958 -155.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.552 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.1 Cg_endo -75.05 -164.25 3.53 Favored 'Cis proline' 0 C--N 1.361 1.196 0 C-N-CA 120.927 -2.531 . . . . 1.0 111.002 -14.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.651 ' HG ' HG21 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -99.29 158.73 31.71 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 1.0 109.302 160.821 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -50.82 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.473 1.775 . . . . 1.0 110.956 -169.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.0 p-10 -103.58 6.36 37.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 1.0 109.262 -160.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -165.05 60.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 1.0 109.323 175.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 50.6 ptt85 -64.03 166.33 7.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 1.0 110.278 170.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.89 144.28 55.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 1.0 108.312 175.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.666 ' HG ' ' N ' ' A' ' 67' ' ' NH2 . 97.9 p -61.49 -63.61 1.22 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 1.0 110.026 -174.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' NH2 . . . . . 0.666 ' N ' ' HG ' ' A' ' 66' ' ' SER . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 48.5 pttt . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.345 -0.613 . . . . 1.0 109.345 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -137.7 141.19 41.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 1.0 110.359 -174.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 177.66 -172.38 45.07 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.516 1.135 . . . . 1.0 110.991 -177.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.403 ' CE1' ' HB3' ' A' ' 45' ' ' ALA . 70.8 m-85 -75.92 111.65 11.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 0.801 . . . . 1.0 110.967 179.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.7 HD22 ' C ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -54.66 161.41 1.51 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 1.0 109.297 -176.732 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.509 ' N ' HD22 ' A' ' 5' ' ' LEU . 9.6 p -134.76 150.33 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 1.0 109.274 -173.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.25 120.05 26.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 1.0 109.307 171.05 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.0 mttt -72.32 -9.74 58.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 1.0 109.265 -170.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -75.98 -77.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 1.0 109.286 176.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.1 p -100.84 -20.96 15.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.387 1.054 . . . . 1.0 110.455 -165.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 57.25 40.0 91.07 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.485 1.115 . . . . 1.0 111.016 -176.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -102.89 -1.26 29.89 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.297 -1.001 . . . . 1.0 108.297 -173.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 pttt 72.67 159.83 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.167 . . . . 1.0 109.279 170.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -105.44 -52.78 2.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 1.0 110.959 -174.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 68.53 158.31 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 1.0 110.316 -175.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.149 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 1.6 p -141.88 119.56 11.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.573 1.171 . . . . 1.0 108.3 169.566 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -85.05 50.37 1.93 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 1.0 109.359 -166.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -178.84 80.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 1.0 109.315 -164.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.93 152.51 40.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 1.0 109.365 -168.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.2 -53.98 1.83 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.5 1.125 . . . . 1.0 111.05 -173.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -66.04 96.1 0.3 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 0.762 . . . . 1.0 109.287 -168.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -92.44 53.81 2.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 1.0 109.279 -175.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -106.16 -61.68 1.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 1.0 109.316 177.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -70.65 -30.98 67.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 1.0 111.001 -176.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 1.149 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 45.7 m -71.59 -31.82 67.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 1.0 108.237 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.45 -50.82 68.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.137 . . . . 1.0 109.312 169.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.9 mtt-85 -55.02 -46.95 75.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.422 1.076 . . . . 1.0 110.294 -176.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.35 -52.34 65.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 1.0 110.281 179.339 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -54.61 -40.24 68.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.078 . . . . 1.0 108.325 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -77.44 -22.95 50.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 1.0 109.306 -167.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -109.75 57.11 0.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 1.0 110.327 169.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -178.12 -24.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.098 . . . . 1.0 110.288 146.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.672 ' CD2' HD22 ' A' ' 51' ' ' LEU . 83.8 m-85 -108.05 46.23 0.97 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 1.0 110.997 155.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.27 -7.45 25.51 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.489 1.118 . . . . 1.0 110.986 -178.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -73.69 66.46 1.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 0.759 . . . . 1.0 109.279 172.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 64.25 42.02 98.03 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.541 1.151 . . . . 1.0 111.005 162.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -106.69 170.08 8.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 1.0 109.278 176.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -146.08 -175.41 19.09 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.579 1.174 . . . . 1.0 110.983 168.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.495 ' HA2' HG22 ' A' ' 49' ' ' THR . . . 178.22 179.6 48.24 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.033 -0.827 . . . . 1.0 111.033 -170.335 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.583 ' CE2' HG21 ' A' ' 49' ' ' THR . 2.3 p90 -159.15 174.98 14.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 0.776 . . . . 1.0 110.931 174.376 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 14.1 t -96.37 108.52 21.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 1.0 108.338 -174.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -82.97 -173.13 4.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 1.0 111.007 171.209 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.571 ' O ' ' CG ' ' A' ' 44' ' ' PHE . . . -49.83 -40.29 41.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.105 . . . . 1.0 109.278 -158.214 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.571 ' CG ' ' O ' ' A' ' 43' ' ' ALA . 32.8 m-85 -161.18 71.62 0.41 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 1.0 111.071 156.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' A' ' 44' ' ' PHE . . . -175.09 164.85 3.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 1.0 109.27 156.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.462 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 99.0 m -93.84 104.32 16.39 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.464 1.103 . . . . 1.0 108.257 -171.329 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 7.7 t-105 -93.07 120.63 33.57 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.997 -1.112 . . . . 1.0 107.997 -177.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 33.8 m -101.51 144.31 30.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 1.0 108.321 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.583 HG21 ' CE2' ' A' ' 40' ' ' TYR . 3.0 t -153.1 42.98 0.61 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.464 1.103 . . . . 1.0 110.349 -157.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 16.5 t60 -164.52 56.52 0.14 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.391 1.057 . . . . 1.0 109.628 166.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.672 HD22 ' CD2' ' A' ' 33' ' ' TYR . 11.6 mt -103.81 179.33 4.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 1.0 109.299 -167.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -108.38 -172.23 2.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 1.0 110.956 174.021 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -54.66 -26.52 33.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 1.0 110.332 -177.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -91.38 31.91 1.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.591 1.182 . . . . 1.0 110.331 179.114 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.54 100.11 0.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 1.0 109.355 163.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.6 mm -100.65 138.46 24.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 1.0 109.292 167.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -138.97 143.93 30.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 1.0 109.367 -169.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.545 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 70.3 t90 -59.46 153.16 51.25 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 1.0 108.019 -159.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.545 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.4 Cg_endo -74.98 -160.36 2.17 Favored 'Cis proline' 0 C--N 1.36 1.138 0 C-N-CA 121.024 -2.49 . . . . 1.0 111.016 -16.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.1 154.98 88.53 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 1.0 109.326 153.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 -52.3 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.495 1.787 . . . . 1.0 110.97 173.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.2 p-10 -107.08 6.99 29.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 1.0 109.3 -159.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -164.89 57.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 1.0 109.302 176.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.7 ptt-85 -65.04 165.12 11.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 1.0 110.27 170.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.9 t -66.93 136.76 55.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 1.0 108.264 -174.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.691 ' HG ' ' N ' ' A' ' 67' ' ' NH2 . 96.1 p -73.59 -60.32 2.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 1.0 110.03 178.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' NH2 . . . . . 0.691 ' N ' ' HG ' ' A' ' 66' ' ' SER . . . . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 58.7 tttp . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.308 -0.627 . . . . 1.0 109.308 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -137.75 156.8 47.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 1.0 110.328 176.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 164.83 -167.68 38.7 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.486 1.116 . . . . 1.0 110.993 155.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -74.77 93.74 2.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.394 0.702 . . . . 1.0 110.969 172.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.53 150.16 3.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 1.0 109.351 -165.059 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.5 p -115.96 152.14 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 1.0 109.276 168.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -87.07 153.12 21.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 1.0 109.342 -172.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.7 mttp -98.92 -4.78 32.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 1.0 109.242 -169.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -111.9 -70.63 0.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 1.0 109.278 -175.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.2 p -94.09 -6.47 45.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 1.0 110.359 -175.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 59.19 25.14 59.63 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.449 1.093 . . . . 1.0 110.994 -178.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.483 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -120.02 -160.02 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.273 -1.01 . . . . 1.0 108.273 -173.215 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.483 ' HB2' ' O ' ' A' ' 12' ' ' CYS . 49.6 mttm 82.24 -138.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 1.0 109.277 -178.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.482 ' CG ' ' C ' ' A' ' 13' ' ' LYS . 2.2 p90 30.88 63.62 0.19 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 1.0 110.982 -162.25 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -152.65 61.11 0.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 1.0 110.208 172.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.5 p -72.14 146.96 47.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 1.0 108.317 -176.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -68.62 128.73 37.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 1.0 109.251 -177.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 mtmp? 67.24 162.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 1.0 109.337 179.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -105.94 148.61 27.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 1.0 109.305 169.193 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.75 -29.86 10.67 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.542 1.151 . . . . 1.0 111.01 177.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.31 80.75 1.85 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 0.749 . . . . 1.0 109.314 -177.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -89.76 39.13 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 1.0 109.33 -168.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -103.74 -48.66 3.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 1.0 109.306 172.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -63.92 -32.88 74.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 1.0 110.947 -177.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.4 t -63.58 -56.76 13.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 1.0 108.312 176.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.3 mt -46.65 -50.21 18.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 1.0 109.314 176.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 52.1 mtt-85 -55.62 -52.31 64.23 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 1.0 110.339 -175.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -63.14 -43.33 98.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 1.0 110.28 -174.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.43 -35.22 71.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 1.0 108.316 177.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -69.52 -32.42 71.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 1.0 109.334 -169.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -105.33 43.54 1.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 1.0 110.306 -177.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -166.08 -38.15 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 1.0 110.331 159.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -121.77 25.37 9.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.589 1.181 . . . . 1.0 110.94 177.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.39 78.98 0.32 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.532 1.145 . . . . 1.0 111.04 176.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -106.71 23.87 13.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 0.764 . . . . 1.0 109.288 162.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.88 24.39 30.16 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.542 1.151 . . . . 1.0 111.007 -168.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.02 170.3 16.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.592 0.819 . . . . 1.0 109.257 178.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.94 176.19 21.07 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.434 1.084 . . . . 1.0 110.974 -178.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -179.41 177.41 48.29 Favored Glycine 0 CA--C 1.531 1.085 0 N-CA-C 110.998 -0.841 . . . . 1.0 110.998 -177.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -153.68 169.36 23.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.581 0.812 . . . . 1.0 110.983 171.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.0 m -93.35 106.03 18.04 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 1.0 108.254 -174.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.497 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -82.97 -162.12 0.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 1.0 111.004 167.539 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.2 85.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 1.0 109.317 177.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.497 ' N ' ' O ' ' A' ' 42' ' ' TYR . 53.2 m-85 50.67 49.56 20.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 1.0 110.973 172.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -167.52 167.31 13.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 1.0 109.281 157.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 12.5 t -99.04 108.95 21.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 1.0 108.366 -175.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 10.6 t-105 -85.22 116.76 23.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 1.0 108.034 168.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 13.1 m -103.44 143.65 32.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 1.0 108.276 177.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 t -145.3 49.45 1.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 1.0 110.289 -162.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -170.09 60.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 1.0 109.584 160.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.5 mt -104.68 171.25 7.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 1.0 109.321 -170.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -106.78 -179.5 3.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 1.0 110.993 164.105 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -67.07 -18.51 65.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 1.0 110.292 -173.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -78.4 -2.5 38.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.087 . . . . 1.0 110.228 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -93.44 140.99 28.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 1.0 109.31 171.02 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.8 mt -118.14 151.85 20.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 1.0 109.308 178.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -126.82 148.55 31.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 1.0 109.293 -177.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.596 ' CD1' ' HA ' ' A' ' 59' ' ' PRO . 90.5 t90 -57.94 154.29 29.16 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 1.0 108.058 -157.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.596 ' HA ' ' CD1' ' A' ' 58' ' ' TRP . 18.2 Cg_endo -75.02 -175.66 16.49 Favored 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 121.018 -2.493 . . . . 1.0 110.996 -18.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.1 mt -68.88 154.16 95.21 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 1.0 109.277 154.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -32.15 5.54 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.503 1.791 . . . . 1.0 111.019 -159.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -156.66 54.58 0.54 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 1.0 109.25 169.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.03 59.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 1.0 109.288 167.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 28.0 ptt180 -71.7 170.37 13.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 1.0 110.293 173.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 14.5 t -54.3 -53.53 52.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 1.0 108.283 -169.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 25.1 p -67.43 -31.73 72.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 1.0 110.023 -176.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.159 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.348 -0.612 . . . . 1.0 109.348 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -114.03 163.77 14.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 1.0 110.352 -170.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 168.26 -164.24 37.83 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.426 1.079 . . . . 1.0 111.039 161.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -67.69 175.79 2.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.579 0.811 . . . . 1.0 111.076 176.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 mp -106.27 156.32 18.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 1.0 109.317 -178.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.7 p -149.44 140.8 17.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.61 1.194 . . . . 1.0 109.261 -161.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -101.65 172.04 7.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 1.0 109.292 175.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -97.91 -14.93 20.38 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.555 1.16 . . . . 1.0 109.36 175.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -80.41 -77.24 0.2 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 1.0 109.365 -176.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.1 p -98.78 -18.78 17.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 1.0 110.409 -176.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.96 -28.7 11.74 Favored Glycine 0 CA--C 1.528 0.906 0 O-C-N 124.56 1.163 . . . . 1.0 111.023 -168.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -53.7 16.74 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.282 -1.007 . . . . 1.0 108.282 -157.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.455 ' HG3' ' CD2' ' A' ' 14' ' ' TYR . 10.2 tptt 72.42 -83.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 1.0 109.27 176.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.455 ' CD2' ' HG3' ' A' ' 13' ' ' LYS . 23.3 m-85 -139.6 144.6 37.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 1.0 110.997 -164.365 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -147.38 84.2 1.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 1.0 110.284 172.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.5 p -59.6 109.15 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 1.0 108.286 179.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.4 mt -80.88 56.73 2.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 1.0 109.358 -172.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 44.2 tptt -174.73 66.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.165 . . . . 1.0 109.342 -169.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 pp -61.99 141.94 57.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 1.0 109.352 -173.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.72 -56.18 0.64 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.475 1.11 . . . . 1.0 110.976 -174.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.63 96.25 1.19 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 0.778 . . . . 1.0 109.293 -168.241 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.9 p-10 -89.81 64.89 6.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 1.0 109.319 -176.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -105.66 -64.47 1.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 1.0 109.266 172.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -70.8 -23.55 62.39 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 1.0 111.078 -170.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 98.8 m -74.76 -37.37 62.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 1.0 108.273 176.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.61 -16.11 59.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 1.0 109.306 -178.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 50.2 mtt85 -79.81 -46.94 16.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 1.0 110.304 166.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -59.87 -56.67 18.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.412 1.07 . . . . 1.0 110.294 -174.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.2 t -52.49 -38.32 59.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 1.0 108.308 -177.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.98 -54.69 12.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 1.0 109.298 -174.148 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -107.61 50.1 0.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 1.0 110.299 -171.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.501 ' HG3' ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -166.99 -34.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 1.0 110.316 160.035 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.576 ' CD1' HD22 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -112.91 35.5 3.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 1.0 111.066 172.389 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.65 135.81 8.32 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.527 1.142 . . . . 1.0 111.021 156.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -79.74 65.54 4.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 0.767 . . . . 1.0 109.338 -168.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -175.9 -42.92 0.06 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.556 1.16 . . . . 1.0 110.978 -179.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.17 159.85 11.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 0.792 . . . . 1.0 109.24 -179.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -134.97 -173.56 13.13 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 1.0 111.008 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 174.13 -178.5 45.96 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.01 -0.836 . . . . 1.0 111.01 -164.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -161.45 173.86 14.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 0.749 . . . . 1.0 110.988 173.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 40.2 t -96.75 109.37 22.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 1.0 108.286 -172.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.471 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -82.84 -165.8 1.16 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.454 1.096 . . . . 1.0 110.934 168.144 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.28 84.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 1.0 109.299 169.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.471 ' N ' ' O ' ' A' ' 42' ' ' TYR . 8.2 m-85 57.48 41.11 26.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 1.0 110.982 167.29 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -161.64 147.34 13.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 1.0 109.293 161.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 96.8 m -86.55 112.21 21.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 1.0 108.304 -177.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 18.7 t-105 -88.36 119.69 29.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 1.0 108.013 172.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.485 ' HB3' HD21 ' A' ' 51' ' ' LEU . 10.8 m -95.48 153.87 17.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 1.0 108.27 173.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.6 t -155.73 57.52 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 1.0 110.402 -174.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -176.87 61.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 1.0 109.539 157.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.576 HD22 ' CD1' ' A' ' 33' ' ' TYR . 20.6 mt -98.92 -175.38 3.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 1.0 109.29 -166.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -106.5 -178.77 3.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 1.0 111.036 172.035 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -68.85 -10.22 55.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 1.0 110.323 -169.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -91.84 30.5 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 1.0 110.264 170.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.31 93.19 3.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 1.0 109.324 166.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 25.0 mm -90.02 142.33 13.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 1.0 109.24 155.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -134.95 143.6 36.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 1.0 109.286 -165.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.629 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 57.6 t90 -62.81 152.71 81.8 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 1.0 107.993 178.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.629 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.3 Cg_endo -74.94 174.5 52.3 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.021 -2.491 . . . . 1.0 111.016 -12.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.6 mt -62.06 152.32 78.01 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 1.0 109.282 158.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -38.85 1.38 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.515 1.798 . . . . 1.0 110.984 -156.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 37.1 p-10 -134.69 31.65 3.35 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.518 1.136 . . . . 1.0 109.329 -177.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.0 pttm -167.22 58.17 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 1.0 109.299 178.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -64.65 163.58 13.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 1.0 110.285 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 48.5 t -58.9 123.86 17.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 1.0 108.289 171.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 14.2 p -71.05 87.39 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 1.0 109.95 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 45.8 pttt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.324 -0.621 . . . . 1.0 109.324 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -120.48 154.84 34.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 1.0 110.241 -179.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 164.64 -167.39 38.44 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.587 1.18 . . . . 1.0 111.004 161.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -66.06 116.98 7.74 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.447 0.733 . . . . 1.0 111.055 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.08 135.42 25.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 1.0 109.311 168.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.3 p -113.16 148.92 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 1.0 109.283 -171.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.23 133.2 37.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 1.0 109.267 170.102 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.2 ttpt -94.03 2.95 55.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 1.0 109.26 -159.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -99.69 -72.68 0.66 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 1.0 109.315 177.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.88 -20.02 19.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 1.0 110.376 -171.57 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 70.5 39.45 68.77 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.571 1.169 . . . . 1.0 111.028 -170.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 21.2 m -81.97 -85.7 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.344 -0.984 . . . . 1.0 108.344 175.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt -176.99 178.99 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 1.0 109.278 -176.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -106.75 -38.16 6.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 1.0 111.006 155.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 66.09 96.67 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 1.0 110.302 169.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 40.1 t -71.91 132.59 44.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 1.0 108.284 -174.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 pp -63.08 101.46 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 1.0 109.299 167.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? 69.52 120.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 1.0 109.297 176.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.94 158.87 15.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.145 . . . . 1.0 109.269 175.04 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.5 -42.37 1.91 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.465 1.103 . . . . 1.0 110.996 172.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -74.72 79.38 2.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 1.0 109.221 -173.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -88.14 49.12 1.74 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 1.0 109.364 -168.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -106.51 -49.62 3.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 1.0 109.269 171.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -64.6 -42.34 95.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.119 . . . . 1.0 110.96 -173.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.909 ' SG ' ' SG ' ' A' ' 41' ' ' CYS . 96.7 m -66.89 -43.32 83.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 1.0 108.305 -179.438 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.44 HD21 ' O ' ' A' ' 37' ' ' ALA . 0.2 OUTLIER -59.02 -42.23 89.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 1.0 109.264 176.385 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -66.88 -40.14 87.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 1.0 110.273 -175.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -69.64 -50.73 41.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 1.0 110.236 -173.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -66.04 -21.3 66.38 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.498 1.123 . . . . 1.0 108.25 -177.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -57.0 -55.92 28.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 1.0 109.308 174.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -105.89 41.32 1.42 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 1.0 110.302 -168.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -153.78 -43.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 1.0 110.305 161.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.431 ' CG ' HD12 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -105.11 14.44 29.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 1.0 111.043 -176.067 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 110.11 139.46 8.31 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.512 1.132 . . . . 1.0 111.05 164.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 66.4 mttt -80.3 68.18 6.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 0.773 . . . . 1.0 109.308 -173.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -166.03 44.12 0.27 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.544 1.153 . . . . 1.0 110.984 168.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.44 ' O ' HD21 ' A' ' 26' ' ' LEU . . . -91.11 153.56 19.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.416 0.716 . . . . 1.0 109.297 -164.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.93 -0.45 11.76 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.442 1.089 . . . . 1.0 110.959 171.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -47.56 159.73 0.49 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.974 -0.85 . . . . 1.0 110.974 -176.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -152.27 171.68 17.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 1.0 111.013 -177.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.909 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 47.1 m -89.13 102.4 15.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 1.0 108.286 -172.262 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.499 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -83.29 -167.62 1.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 1.0 111.052 168.098 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.81 88.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 1.0 109.338 -178.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.499 ' N ' ' O ' ' A' ' 42' ' ' TYR . 35.2 m-85 49.57 42.66 23.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 1.0 111.044 177.115 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -162.19 146.04 12.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 1.0 109.315 176.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 93.7 m -94.52 100.98 12.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 1.0 108.257 -175.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 15.6 t-105 -83.75 113.11 20.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 1.0 107.971 174.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 68.1 m -107.23 143.81 34.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.583 1.177 . . . . 1.0 108.268 -178.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.6 t -150.92 36.5 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 1.0 110.388 -160.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -153.5 29.01 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 1.0 109.644 171.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.467 ' H ' HD22 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -68.24 -172.44 0.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 1.0 109.35 176.123 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -106.74 -171.75 1.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 1.0 110.972 170.374 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -53.12 -25.52 13.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 1.0 110.336 -178.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -91.23 32.69 1.01 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 1.0 110.349 178.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.55 100.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 1.0 109.295 164.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 31.1 mm -94.0 131.38 41.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 1.0 109.324 163.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -127.46 145.55 34.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 1.0 109.281 -175.042 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.549 ' CG ' ' HA ' ' A' ' 59' ' ' PRO . 75.4 t90 -57.16 153.17 26.49 Favored Pre-proline 0 C--N 1.326 -0.439 0 N-CA-C 108.01 -1.108 . . . . 1.0 108.01 -172.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.549 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.2 Cg_endo -75.06 -174.38 14.04 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 120.981 -2.508 . . . . 1.0 110.966 -16.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.7 152.82 89.19 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 1.0 109.271 154.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -41.61 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.474 1.776 . . . . 1.0 111.045 -156.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -147.42 48.71 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 1.0 109.3 179.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.7 77.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.075 . . . . 1.0 109.273 166.644 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.61 152.23 42.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 1.0 110.351 -156.407 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -106.54 140.5 39.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 1.0 108.318 171.596 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.655 ' HG ' ' N ' ' A' ' 67' ' ' NH2 . 97.0 p -68.82 -62.72 1.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 1.0 109.925 -178.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' NH2 . . . . . 0.655 ' N ' ' HG ' ' A' ' 66' ' ' SER . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.401 ' NZ ' ' O ' ' A' ' 53' ' ' GLU . 58.1 tttt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.292 -0.633 . . . . 1.0 109.292 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -93.67 153.18 18.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 1.0 110.25 -159.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.459 ' CA ' HG21 ' A' ' 57' ' ' VAL . . . 173.63 -160.33 30.5 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.461 1.1 . . . . 1.0 111.012 165.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.587 ' O ' HG22 ' A' ' 57' ' ' VAL . 56.4 m-85 -85.86 111.18 19.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 0.748 . . . . 1.0 110.937 177.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.76 164.1 2.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 1.0 109.369 -164.536 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.7 p -123.17 145.81 29.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 1.0 109.297 -167.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -87.03 128.62 35.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 1.0 109.343 173.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.7 mttp -70.29 -21.13 62.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 1.0 109.356 -165.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -87.94 -74.23 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 1.0 109.322 -175.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -92.64 -13.34 29.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 1.0 110.392 -169.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 49.13 44.36 33.44 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.55 1.156 . . . . 1.0 110.963 -171.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -101.6 -3.53 28.23 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.347 -0.983 . . . . 1.0 108.347 179.328 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 71.17 163.68 0.27 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.438 1.086 . . . . 1.0 109.339 170.455 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -110.99 140.82 45.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.428 1.08 . . . . 1.0 110.996 -178.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -91.46 175.15 7.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 1.0 110.334 173.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.9 p -146.27 159.67 43.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 1.0 108.3 165.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 60.0 mt -73.02 -60.19 2.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 1.0 109.352 -158.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.6 mtmm -126.2 137.48 53.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 1.0 109.287 177.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.12 128.96 39.63 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.484 1.115 . . . . 1.0 109.271 173.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.74 -25.69 11.58 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 1.0 111.029 -173.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -75.2 71.41 2.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 1.0 109.276 -177.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -91.54 40.46 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 1.0 109.265 -168.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -105.59 -57.13 2.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 1.0 109.274 -175.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -63.0 -38.27 90.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.414 1.071 . . . . 1.0 111.056 177.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 86.7 m -65.86 -41.35 91.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 1.0 108.264 -174.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.23 -57.84 9.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 1.0 109.373 177.335 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.1 mtm-85 -54.74 -39.44 68.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.399 1.062 . . . . 1.0 110.328 -174.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -63.1 -59.71 4.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 1.0 110.295 -177.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -62.04 -27.29 68.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 1.0 108.229 -176.294 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -65.08 -53.91 38.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 1.0 109.323 178.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -106.93 50.74 0.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 1.0 110.324 -176.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.475 ' HG3' ' N ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -167.08 -33.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 1.0 110.339 168.598 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.475 ' N ' ' HG3' ' A' ' 32' ' ' GLN . 0.1 OUTLIER -119.83 33.36 5.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 1.0 111.046 172.365 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.53 136.73 9.41 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.514 1.134 . . . . 1.0 110.948 163.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.9 mtmm -79.64 69.98 6.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 0.732 . . . . 1.0 109.303 -168.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -169.3 64.7 0.18 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.556 1.16 . . . . 1.0 110.929 165.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -101.09 148.98 24.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 0.763 . . . . 1.0 109.266 -168.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.52 -0.54 10.19 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.507 1.129 . . . . 1.0 110.968 166.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -49.36 164.69 0.43 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.013 -0.835 . . . . 1.0 111.013 -176.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -155.0 -178.42 7.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 0.764 . . . . 1.0 111.001 -173.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 53.4 t -101.26 109.7 21.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 1.0 108.302 -175.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.492 ' O ' ' N ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -83.42 -161.23 0.49 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.09 . . . . 1.0 110.947 167.521 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.36 84.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 1.0 109.353 170.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.492 ' N ' ' O ' ' A' ' 42' ' ' TYR . 28.3 m-85 54.64 38.1 29.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 1.0 110.975 167.158 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -160.98 153.28 20.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 1.0 109.302 166.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 96.8 m -94.19 116.25 28.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 1.0 108.3 -172.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 4.9 t-105 -104.79 124.88 50.2 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.964 -1.125 . . . . 1.0 107.964 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 68.4 m -117.25 146.77 43.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 1.0 108.303 -172.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.44 ' O ' ' OG1' ' A' ' 49' ' ' THR . 1.3 t -154.41 33.6 0.42 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 1.0 110.38 -159.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -159.08 32.94 0.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 1.0 109.582 176.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.571 ' H ' HD22 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -73.83 -175.17 2.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 1.0 109.273 172.62 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -107.48 -177.64 3.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 1.0 111.0 164.028 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.401 ' O ' ' NZ ' ' A' ' 1' ' ' LYS . 11.7 pt-20 -58.56 -24.82 61.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 1.0 110.301 -177.078 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -87.48 32.3 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 1.0 110.29 178.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.52 131.26 43.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.423 1.077 . . . . 1.0 109.319 146.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.6 mp -113.62 126.61 71.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 1.0 109.334 143.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.66 HG22 ' H ' ' A' ' 58' ' ' TRP . 1.6 p -83.38 -178.91 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.421 1.076 . . . . 1.0 109.279 -170.21 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.66 ' H ' HG22 ' A' ' 57' ' ' VAL . 73.9 t90 -69.19 154.05 95.36 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 107.994 -1.113 . . . . 1.0 107.994 -163.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.53 ' HA ' ' CG ' ' A' ' 58' ' ' TRP . 18.4 Cg_endo -74.96 -166.75 5.09 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 120.97 -2.512 . . . . 1.0 111.038 -18.5 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.85 155.55 82.56 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 1.0 109.305 155.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -56.75 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.381 1.727 . . . . 1.0 110.949 170.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.2 p-10 -106.0 8.5 32.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 1.0 109.332 -157.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -163.26 56.7 0.19 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.455 1.097 . . . . 1.0 109.275 177.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 52.2 ptt85 -65.85 167.74 9.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 1.0 110.285 173.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.9 t -66.58 146.28 54.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.58 1.175 . . . . 1.0 108.358 175.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.717 ' HG ' ' N ' ' A' ' 67' ' ' NH2 . 98.7 p -61.37 -63.41 1.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.09 . . . . 1.0 109.969 -174.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' NH2 . . . . . 0.717 ' N ' ' HG ' ' A' ' 66' ' ' SER . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 1.0 . . . . . . . . . . 1 1 . 1 stop_ save_