data_2i9o_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 2i9o _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.616 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.53 0.205 . . . . 73.200000000000003 111.004 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.491 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -77.24 -5.21 48.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 64.439999999999998 109.276 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.457 ' HE3' ' CZ ' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -88.38 -26.85 21.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 74.25 109.275 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.457 ' CZ ' ' HE3' ' A' ' 28' ' ' LYS . 13.5 mmt180 -94.11 -42.35 9.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.414 1.071 . . . . 73.129999999999995 110.328 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.551 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -38.08 -51.5 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 63.149999999999999 109.315 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.97 -52.6 32.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 73.409999999999997 109.258 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 29' ' ' ARG . 3.7 mt-10 -48.02 -57.16 6.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 74.120000000000005 110.302 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.25 -53.84 38.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.103 . . . . 64.230000000000004 109.304 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 20.5 mmt -62.86 -11.61 19.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 74.319999999999993 111.018 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 74.549999999999997 109.282 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.606 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.542 0.211 . . . . 72.230000000000004 111.053 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.492 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -65.87 -11.56 47.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 73.219999999999999 109.295 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 29' ' ' ARG . 5.9 tptt -81.18 -66.68 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 75.140000000000001 109.294 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 32' ' ' GLU . 3.0 mtt85 -51.57 -42.38 61.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 74.030000000000001 110.275 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.578 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.1 mm -37.8 -60.96 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 74.219999999999999 109.327 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -40.27 -47.27 2.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 74.239999999999995 109.262 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 29' ' ' ARG . 4.6 mt-10 -65.2 -52.19 56.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 72.430000000000007 110.281 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 32' ' ' GLU . . . -39.71 -55.6 1.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 73.120000000000005 109.285 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 16.6 mmt -82.73 -20.14 36.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 70.219999999999999 110.968 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 74.540000000000006 109.302 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.614 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.5 0.19 . . . . 74.420000000000002 110.968 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.505 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -75.51 -6.08 48.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 73.230000000000004 109.287 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -84.4 -36.99 22.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 73.209999999999994 109.317 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 32' ' ' GLU . 29.2 mtt85 -84.03 -43.39 15.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 74.439999999999998 110.344 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.559 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -37.78 -52.06 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 75.230000000000004 109.301 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.44 -50.96 5.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 74.310000000000002 109.31 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 29' ' ' ARG . 4.0 mt-10 -49.15 -56.23 9.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 60.020000000000003 110.32 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.2 -48.96 70.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 72.010000000000005 109.292 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 32.2 mtt -63.99 -11.59 30.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 75.319999999999993 110.98 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 75.510000000000005 109.338 179.974 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.606 ' CG ' ' N ' ' A' ' 27' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.532 0.206 . . . . 75.329999999999998 111.015 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.606 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -63.56 -14.07 47.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 74.019999999999996 109.323 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.8 ttpt -87.23 -49.6 7.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 64.530000000000001 109.342 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.465 ' O ' ' C ' ' A' ' 30' ' ' ILE . 4.7 tpt180 -64.12 -46.71 82.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 74.310000000000002 110.286 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.564 HG13 ' CD1' ' A' ' 26' ' ' TYR . 0.9 OUTLIER -35.83 -47.34 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 75.129999999999995 109.285 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -41.45 -57.3 2.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 71.400000000000006 109.312 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.448 ' HB2' ' CZ ' ' A' ' 29' ' ' ARG . 5.6 mt-10 -45.01 -56.86 4.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 74.239999999999995 110.358 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.51 -56.52 12.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 72.030000000000001 109.336 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.7 mmt -62.13 -12.39 19.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 74.010000000000005 110.992 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 71.310000000000002 109.298 179.959 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.613 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.494 0.187 . . . . 74.010000000000005 110.986 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.494 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -66.1 -11.39 48.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 74.129999999999995 109.311 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -81.59 -67.12 0.81 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 65.420000000000002 109.246 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 30' ' ' ILE . 13.1 mtm180 -51.18 -42.26 60.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 74.340000000000003 110.348 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.575 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.1 mm -37.48 -61.58 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 55.299999999999997 109.247 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.52 -53.6 4.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 62.409999999999997 109.325 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -47.98 -57.19 6.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 74.209999999999994 110.31 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.82 -54.81 24.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.562 1.163 . . . . 75.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 20.9 mmt -62.29 -12.2 19.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 65.109999999999999 111.015 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 75.150000000000006 109.3 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.595 ' CG ' ' N ' ' A' ' 27' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.538 0.208 . . . . 74.239999999999995 110.995 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.595 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -65.05 -15.68 62.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 74.310000000000002 109.308 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.447 ' CG ' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -85.92 -49.19 8.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 74.519999999999996 109.299 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.455 ' O ' ' C ' ' A' ' 30' ' ' ILE . 0.2 OUTLIER -64.09 -46.02 86.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 74.150000000000006 110.334 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.517 HG13 ' CD1' ' A' ' 26' ' ' TYR . 0.9 OUTLIER -35.75 -61.93 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 74.239999999999995 109.322 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -41.45 -52.38 3.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 73.530000000000001 109.335 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 29' ' ' ARG . 5.5 mt-10 -49.98 -57.12 8.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 73.150000000000006 110.315 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.68 -57.29 9.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 72.349999999999994 109.285 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 7.2 mtt -62.6 -12.02 20.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 74.409999999999997 110.975 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 74.120000000000005 109.295 -179.972 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.637 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.535 0.207 . . . . 74.329999999999998 111.027 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.4 -7.31 57.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 73.450000000000003 109.306 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.597 ' CE ' ' CZ ' ' A' ' 29' ' ' ARG . 5.1 tttt -81.93 -40.92 21.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 74.209999999999994 109.319 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.597 ' CZ ' ' CE ' ' A' ' 28' ' ' LYS . 27.7 mmt180 -80.85 -41.56 22.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 74.340000000000003 110.291 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.578 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.1 mm -37.59 -52.22 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 71.420000000000002 109.26 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -48.85 -52.85 21.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 73.530000000000001 109.319 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 29' ' ' ARG . 3.8 mt-10 -47.12 -55.83 7.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 71.310000000000002 110.332 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.66 -47.33 73.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 73.430000000000007 109.26 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.0 mtt -63.41 -11.67 24.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 74.200000000000003 110.974 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 71.209999999999994 109.294 -179.951 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.607 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.544 0.211 . . . . 74.340000000000003 111.019 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.534 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -69.01 -15.6 63.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 73.129999999999995 109.331 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.83 -50.84 7.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 74.510000000000005 109.338 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.453 ' O ' ' C ' ' A' ' 30' ' ' ILE . 19.2 mtm180 -65.77 -41.36 92.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 75.450000000000003 110.276 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.569 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -36.82 -55.2 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 75.439999999999998 109.283 -179.913 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.6 -52.91 16.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 72.430000000000007 109.301 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 29' ' ' ARG . 3.9 mt-10 -49.05 -55.94 10.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 75.150000000000006 110.349 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.83 -54.55 27.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 70.340000000000003 109.295 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 8.3 mmt -62.21 -12.23 19.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 74.030000000000001 110.985 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 73.310000000000002 109.255 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.638 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.551 0.215 . . . . 74.310000000000002 111.016 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.437 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -77.2 -7.62 56.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 73.340000000000003 109.291 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.42 ' HD3' ' CZ ' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -82.36 -41.75 19.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.442 1.089 . . . . 75.409999999999997 109.294 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 30' ' ' ILE . 28.3 mmt180 -79.76 -41.46 26.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 74.109999999999999 110.278 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.586 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.1 mm -37.61 -60.73 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 75.230000000000004 109.311 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 30' ' ' ILE . . . -40.51 -55.17 2.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 74.409999999999997 109.283 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -45.49 -57.11 4.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 74.349999999999994 110.323 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.6 -39.23 70.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 71.299999999999997 109.318 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 16.8 mmt -88.17 19.74 3.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 64.420000000000002 111.002 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 72.010000000000005 109.305 -179.965 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.638 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.481 0.181 . . . . 74.120000000000005 110.981 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 30' ' ' ILE . . . -64.58 -73.97 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 74.400000000000006 109.283 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -39.74 -39.33 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 74.030000000000001 109.261 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 30' ' ' ILE . 0.3 OUTLIER -66.7 -48.88 67.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 75.430000000000007 110.287 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.569 HG13 ' CD1' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -39.72 -54.12 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 74.409999999999997 109.305 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.93 -52.06 15.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 74.109999999999999 109.31 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -48.97 -56.81 7.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 70.230000000000004 110.286 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.97 -54.53 28.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 72.409999999999997 109.353 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 12.8 mmt -62.32 -12.19 19.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 62.43 111.008 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.165 . . . . 64.430000000000007 109.296 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.628 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.514 0.197 . . . . 73.299999999999997 111.039 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.46 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -66.81 -11.56 55.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 60.100000000000001 109.312 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -80.63 -67.46 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 71.219999999999999 109.337 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 32' ' ' GLU . 29.5 mtt180 -51.05 -42.75 60.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 75.430000000000007 110.293 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.58 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.1 mm -37.02 -34.12 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 72.409999999999997 109.292 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 29' ' ' ARG . . . -54.24 -56.6 16.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 71.409999999999997 109.29 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.562 ' CG ' ' N ' ' A' ' 33' ' ' ALA . 7.6 pt-20 -53.45 -49.66 66.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 64.439999999999998 110.318 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.562 ' N ' ' CG ' ' A' ' 32' ' ' GLU . . . -50.48 -56.33 12.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.112 . . . . 72.519999999999996 109.304 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.1 mtt -62.5 -13.14 27.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 73.340000000000003 111.048 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 61.329999999999998 109.272 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.603 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.559 0.219 . . . . 74.230000000000004 111.006 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.569 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -70.59 -7.6 45.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 51.119999999999997 109.344 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.65 -44.51 11.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 73.510000000000005 109.334 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 31' ' ' ALA . 58.8 mtt180 -74.6 -41.9 59.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 60.210000000000001 110.318 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.561 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -37.4 -33.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 75.239999999999995 109.32 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 29' ' ' ARG . . . -49.75 -57.6 6.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 74.349999999999994 109.307 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.552 ' CG ' ' N ' ' A' ' 33' ' ' ALA . 5.9 pt-20 -57.25 -49.57 75.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 73.129999999999995 110.274 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.552 ' N ' ' CG ' ' A' ' 32' ' ' GLU . . . -47.26 -66.23 0.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 75.409999999999997 109.316 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 9.1 mmm -58.86 -14.77 9.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 74.329999999999998 111.0 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 71.120000000000005 109.305 -179.993 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.636 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.502 0.191 . . . . 63.530000000000001 110.985 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.01 -0.05 29.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 64.530000000000001 109.259 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -87.8 -42.49 12.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 74.239999999999995 109.302 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 32' ' ' GLU . 22.0 mmt180 -79.66 -41.01 27.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 74.209999999999994 110.304 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.551 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.2 mm -37.64 -51.31 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 73.310000000000002 109.333 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.01 -52.14 45.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 75.030000000000001 109.277 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 29' ' ' ARG . 3.2 mt-10 -48.08 -56.05 8.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 70.219999999999999 110.309 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.99 -48.59 70.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 70.310000000000002 109.282 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 45.5 mmm -64.23 -11.56 32.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 75.219999999999999 111.028 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 72.200000000000003 109.321 -179.991 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.588 ' CD1' HG13 ' A' ' 30' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.532 0.206 . . . . 72.230000000000004 110.974 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.575 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -66.3 -10.7 45.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 64.140000000000001 109.302 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.448 ' CG ' ' N ' ' A' ' 29' ' ' ARG . 14.9 ptmt -87.74 -52.22 5.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 75.120000000000005 109.344 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.452 ' O ' ' C ' ' A' ' 30' ' ' ILE . 46.0 mtt180 -65.3 -42.72 92.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 75.219999999999999 110.29 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.588 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -36.52 -48.64 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 73.450000000000003 109.305 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.5 -55.84 6.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 73.319999999999993 109.333 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.549 ' CG ' ' N ' ' A' ' 33' ' ' ALA . 0.9 OUTLIER -49.97 -49.16 51.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 74.200000000000003 110.268 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.549 ' N ' ' CG ' ' A' ' 32' ' ' GLU . . . -54.61 -55.2 31.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 42.409999999999997 109.333 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -61.65 -12.6 16.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 74.219999999999999 111.005 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 62.030000000000001 109.307 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.618 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.561 0.219 . . . . 74.030000000000001 111.037 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.481 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -75.29 -7.72 54.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 72.310000000000002 109.299 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.04 -43.75 17.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 75.200000000000003 109.292 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 30' ' ' ILE . 17.5 mmt-85 -78.08 -41.24 36.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 74.549999999999997 110.303 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.586 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.1 mm -37.84 -37.72 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 64.430000000000007 109.323 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.489 ' O ' ' CB ' ' A' ' 35' ' ' ALA . . . -40.33 -56.65 1.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 62.299999999999997 109.271 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.54 ' CG ' ' N ' ' A' ' 33' ' ' ALA . 8.9 pt-20 -50.82 -49.56 58.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.098 . . . . 70.450000000000003 110.31 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.54 ' N ' ' CG ' ' A' ' 32' ' ' GLU . . . -57.72 -70.39 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 61.350000000000001 109.312 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 10.5 ptm -53.08 -18.94 2.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 64.040000000000006 111.029 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 31' ' ' ALA . . . . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 74.420000000000002 109.316 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.627 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.467 0.175 . . . . 72.010000000000005 110.953 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.423 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -66.48 -66.95 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 64.420000000000002 109.308 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -40.04 -42.93 1.49 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 75.109999999999999 109.324 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 30' ' ' ILE . 7.3 tpt180 -66.17 -51.67 55.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 74.109999999999999 110.274 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.565 HG13 ' CD1' ' A' ' 26' ' ' TYR . 0.8 OUTLIER -37.76 -56.5 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 75.230000000000004 109.302 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -43.19 -52.12 5.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 65.439999999999998 109.3 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 29' ' ' ARG . 3.3 mt-10 -51.13 -54.55 24.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 75.230000000000004 110.284 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.12 -52.55 50.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 74.420000000000002 109.363 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.5 mmt -62.01 -12.57 19.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 73.200000000000003 110.988 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 74.209999999999994 109.273 -179.977 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.662 ' CD1' ' N ' ' A' ' 27' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.499 0.19 . . . . 72.129999999999995 110.98 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.662 ' N ' ' CD1' ' A' ' 26' ' ' TYR . . . -61.66 -15.0 36.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 61.149999999999999 109.288 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.53 -54.4 36.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 71.219999999999999 109.321 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -67.95 -43.13 79.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 75.040000000000006 110.322 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' A' ' 29' ' ' ARG . 18.1 mm -37.5 -54.52 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 74.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.13 -53.9 9.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 74.230000000000004 109.357 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 29' ' ' ARG . 2.7 mt-10 -44.77 -54.37 6.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 64.230000000000004 110.336 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.55 -51.93 66.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 52.420000000000002 109.313 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 66.7 mmm -62.45 -12.08 19.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 73.040000000000006 110.999 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 72.430000000000007 109.257 -179.971 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.684 ' CG ' ' N ' ' A' ' 27' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.539 0.209 . . . . 64.209999999999994 111.018 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.684 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -50.44 -21.67 1.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 74.519999999999996 109.329 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.409 ' N ' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -75.09 -44.93 44.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 74.109999999999999 109.3 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 30' ' ' ILE . 4.0 mtt85 -65.47 -46.35 80.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 74.109999999999999 110.27 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.633 HG13 ' CE1' ' A' ' 26' ' ' TYR . 8.8 mm -37.07 -59.99 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 71.239999999999995 109.303 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -40.69 -54.24 2.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 73.030000000000001 109.317 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -46.72 -57.36 4.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 71.420000000000002 110.277 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.87 -54.04 40.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 1.099 . . . . 53.43 109.287 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 10.0 mmt -65.08 -11.55 40.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 74.239999999999995 110.966 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 73.329999999999998 109.293 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.612 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.494 0.187 . . . . 74.349999999999994 111.004 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 30' ' ' ILE . . . -64.87 -74.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 71.530000000000001 109.318 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 27' ' ' ALA . 16.7 ptmt -38.1 -40.93 0.53 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 74.019999999999996 109.32 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 30' ' ' ILE . 15.9 mmt85 -65.68 -49.6 67.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 70.319999999999993 110.331 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.565 HG13 ' CD1' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -39.14 -60.45 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 73.349999999999994 109.324 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.27 -55.73 2.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 75.209999999999994 109.283 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -48.6 -54.07 16.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 72.329999999999998 110.295 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.47 -51.61 58.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 64.230000000000004 109.329 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 7.4 mtm -61.46 -13.07 17.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 72.230000000000004 110.954 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 75.200000000000003 109.306 -179.964 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.69 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.493 0.187 . . . . 72.310000000000002 111.05 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.604 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -69.12 -9.72 54.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 73.109999999999999 109.298 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -64.38 -29.91 70.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 75.420000000000002 109.302 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.436 ' CD ' ' O ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -93.97 -51.86 4.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 74.349999999999994 110.28 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.415 ' C ' ' O ' ' A' ' 29' ' ' ARG . 3.6 mm -39.25 -32.47 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 73.420000000000002 109.337 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.418 ' N ' ' C ' ' A' ' 29' ' ' ARG . . . -47.85 -53.15 16.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 62.439999999999998 109.27 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.543 ' CG ' ' N ' ' A' ' 33' ' ' ALA . 6.3 pt-20 -48.88 -49.7 38.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 74.409999999999997 110.357 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.543 ' N ' ' CG ' ' A' ' 32' ' ' GLU . . . -50.43 -62.14 1.77 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 72.439999999999998 109.311 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.78 57.8 3.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 75.030000000000001 110.984 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 75.530000000000001 109.314 179.971 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.301 -0.259 . . . . 71.540000000000006 110.301 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 130.58 170.81 12.78 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.522 1.139 . . . . 63.5 110.985 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.95 149.92 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.758 . . . . 71.109999999999999 109.293 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 67.3 p-90 -140.46 118.86 12.16 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.007 -1.109 . . . . 71.299999999999997 108.007 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.3 m -69.42 151.96 45.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 73.209999999999994 110.375 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -121.35 -62.94 1.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 74.010000000000005 111.011 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -135.04 58.86 1.75 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 73.329999999999998 109.298 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.83 -61.9 2.66 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.545 1.153 . . . . 72.109999999999999 111.009 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.3 pp -58.99 141.67 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.411 0.712 . . . . 74.129999999999995 109.306 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.6 m -102.02 162.69 12.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 74.230000000000004 110.439 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 10.4 m-30 -111.83 162.98 14.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 73.420000000000002 110.995 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -162.51 113.68 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 75.239999999999995 110.336 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 145.14 -67.57 0.42 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 53.32 110.985 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -40.46 114.57 0.53 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.002 -0.839 . . . . 72.230000000000004 111.002 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 105.9 77.95 1.15 Allowed Glycine 0 CA--C 1.531 1.055 0 N-CA-C 110.98 -0.848 . . . . 53.509999999999998 110.98 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.83 -70.68 0.95 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.964 -0.855 . . . . 74.049999999999997 110.964 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 77.74 99.08 0.2 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.964 -0.854 . . . . 73.430000000000007 110.964 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -131.53 -64.72 0.09 OUTLIER Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.025 -0.83 . . . . 55.109999999999999 111.025 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -102.06 -142.7 12.7 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.037 -0.825 . . . . 54.210000000000001 111.037 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.31 161.96 24.92 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 111.013 -0.835 . . . . 64.049999999999997 111.013 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.1 m -94.98 39.64 1.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 0.786 . . . . 74.329999999999998 110.006 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.63 -67.83 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 73.430000000000007 109.331 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.16 -22.35 60.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 72.439999999999998 109.311 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -90.86 33.91 0.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 75.310000000000002 110.284 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.471 ' CA ' ' HG2' ' A' ' 28' ' ' LYS . . . -129.5 -45.09 1.21 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 73.129999999999995 109.292 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.616 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -100.04 -41.44 7.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 73.200000000000003 111.004 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.491 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -77.24 -5.21 48.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 64.439999999999998 109.276 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.471 ' HG2' ' CA ' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -88.38 -26.85 21.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 74.25 109.275 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.457 ' CZ ' ' HE3' ' A' ' 28' ' ' LYS . 13.5 mmt180 -94.11 -42.35 9.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.414 1.071 . . . . 73.129999999999995 110.328 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.551 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -38.08 -51.5 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 63.149999999999999 109.315 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.97 -52.6 32.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 73.409999999999997 109.258 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 29' ' ' ARG . 3.7 mt-10 -48.02 -57.16 6.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 74.120000000000005 110.302 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.25 -53.84 38.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.103 . . . . 64.230000000000004 109.304 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 20.5 mmt -62.86 -11.61 19.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 74.319999999999993 111.018 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -87.49 72.65 9.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 74.549999999999997 109.282 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.4 ' HD3' ' N ' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -125.6 -45.6 1.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 75.109999999999999 109.311 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.4 ' N ' ' HD3' ' A' ' 36' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.481 1.113 . . . . 53.350000000000001 111.017 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.5 ptt180 . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 110.249 -0.278 . . . . 74.319999999999993 110.249 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -135.21 -143.24 4.72 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.505 1.128 . . . . 63.149999999999999 111.022 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.2 mmtm -127.76 134.92 49.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 0.768 . . . . 75.310000000000002 109.263 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -79.31 94.16 5.43 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.962 -1.125 . . . . 74.25 107.962 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 61.2 m -117.44 135.56 53.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 74.340000000000003 110.391 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.403 ' HB3' ' CE2' ' A' ' 11' ' ' TYR . 22.0 t80 -134.97 -64.94 0.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 71.120000000000005 111.027 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -95.32 -54.68 3.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 73.439999999999998 109.35 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -172.98 -38.63 0.04 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.475 1.109 . . . . 72.340000000000003 111.009 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.3 pp -89.47 138.39 19.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 0.787 . . . . 74.519999999999996 109.315 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 19.4 m -62.69 142.59 58.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 65.319999999999993 110.401 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.435 ' O ' ' C ' ' A' ' 12' ' ' GLU . 12.6 m-30 -108.87 16.34 22.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 75.420000000000002 111.009 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 11' ' ' TYR . 0.8 OUTLIER -36.24 152.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 72.549999999999997 110.285 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.22 -127.51 8.04 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.539 1.149 . . . . 74.209999999999994 110.976 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.35 90.45 1.2 Allowed Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.031 -0.828 . . . . 65.120000000000005 111.031 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 94.02 -156.11 22.22 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.024 -0.83 . . . . 74.200000000000003 111.024 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.6 135.15 13.3 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.033 -0.827 . . . . 63.219999999999999 111.033 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -169.26 172.05 43.29 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.996 -0.842 . . . . 43.450000000000003 110.996 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -100.92 -96.48 2.24 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.996 -0.842 . . . . 74.340000000000003 110.996 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.05 171.42 28.63 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.039 -0.824 . . . . 71.209999999999994 111.039 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.32 92.68 0.11 Allowed Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.037 -0.825 . . . . 72.120000000000005 111.037 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.7 m -128.54 83.48 2.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 0.749 . . . . 63.509999999999998 110.05 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.87 -67.45 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 64.019999999999996 109.313 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.96 15.77 21.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 75.040000000000006 109.307 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -98.94 -40.05 8.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 75.510000000000005 110.283 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.82 -22.12 45.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 73.329999999999998 109.273 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.606 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -97.43 -44.15 6.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.464 1.102 . . . . 72.230000000000004 111.053 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.492 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -65.87 -11.56 47.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 73.219999999999999 109.295 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 29' ' ' ARG . 5.9 tptt -81.18 -66.68 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 75.140000000000001 109.294 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 32' ' ' GLU . 3.0 mtt85 -51.57 -42.38 61.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 74.030000000000001 110.275 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.578 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.1 mm -37.8 -60.96 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 74.219999999999999 109.327 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -40.27 -47.27 2.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 74.239999999999995 109.262 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 29' ' ' ARG . 4.6 mt-10 -65.2 -52.19 56.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 72.430000000000007 110.281 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 32' ' ' GLU . . . -39.71 -55.6 1.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 73.120000000000005 109.285 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 16.6 mmt -82.73 -20.14 36.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 70.219999999999999 110.968 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . 40.56 39.18 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 74.540000000000006 109.302 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.67 145.17 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 71.120000000000005 109.258 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.511 1.132 . . . . 62.140000000000001 111.006 179.97 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 110.287 -0.264 . . . . 71.019999999999996 110.287 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -75.72 -142.25 1.06 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.474 1.109 . . . . 75.25 111.018 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -71.88 104.86 3.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 0.745 . . . . 71.349999999999994 109.328 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -45.63 97.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.963 -1.125 . . . . 74.5 107.963 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 3' ' ' LYS . 31.2 m -128.06 113.7 16.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.102 . . . . 65.430000000000007 110.348 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -111.66 106.47 15.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 73.340000000000003 110.973 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.5 t30 49.21 55.0 9.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 75.040000000000006 109.299 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 93.21 -69.0 1.6 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.524 1.14 . . . . 61.310000000000002 111.02 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.59 ' CG2' ' CE1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -40.3 145.39 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 72.0 109.321 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.05 115.24 22.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 74.549999999999997 110.427 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.59 ' CE1' ' CG2' ' A' ' 9' ' ' ILE . 7.8 m-30 -93.22 86.85 5.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 74.340000000000003 111.013 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -65.64 148.67 51.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 73.140000000000001 110.338 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 176.38 152.01 9.33 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.508 1.13 . . . . 74.430000000000007 110.952 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -127.38 -68.45 0.15 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.024 -0.83 . . . . 74.219999999999999 111.024 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -96.13 98.64 2.23 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.011 -0.835 . . . . 71.010000000000005 111.011 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.29 153.77 3.5 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.021 -0.832 . . . . 75.299999999999997 111.021 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -130.55 -61.87 0.1 OUTLIER Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.014 -0.834 . . . . 73.040000000000006 111.014 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -83.06 -170.86 46.69 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.985 -0.846 . . . . 64.299999999999997 110.985 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 72.93 -141.56 30.57 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.031 -0.828 . . . . 64.409999999999997 111.031 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -79.74 -86.35 0.57 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.026 -0.83 . . . . 73.150000000000006 111.026 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.498 ' O ' ' CB ' ' A' ' 25' ' ' ALA . 0.7 OUTLIER 57.4 51.72 9.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 0.797 . . . . 74.010000000000005 109.981 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.54 -31.62 36.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 73.510000000000005 109.29 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -99.03 -19.49 17.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 74.450000000000003 109.322 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -90.13 -14.93 32.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 74.230000000000004 110.322 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 21' ' ' SER . . . -94.53 15.15 18.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 73.010000000000005 109.325 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.614 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -126.41 -43.34 1.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 74.420000000000002 110.968 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.505 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -75.51 -6.08 48.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 73.230000000000004 109.287 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -84.4 -36.99 22.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 73.209999999999994 109.317 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 32' ' ' GLU . 29.2 mtt85 -84.03 -43.39 15.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 74.439999999999998 110.344 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.559 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -37.78 -52.06 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 75.230000000000004 109.301 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.44 -50.96 5.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 74.310000000000002 109.31 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 29' ' ' ARG . 4.0 mt-10 -49.15 -56.23 9.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 60.020000000000003 110.32 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.2 -48.96 70.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 72.010000000000005 109.292 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 32.2 mtt -63.99 -11.59 30.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 75.319999999999993 110.98 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -99.19 151.67 20.74 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 75.510000000000005 109.338 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -40.64 -64.64 0.5 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.137 . . . . 74.040000000000006 109.311 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.479 1.112 . . . . 64.400000000000006 111.041 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.312 -0.255 . . . . 75.340000000000003 110.312 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -179.15 78.18 0.06 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.534 1.147 . . . . 63.409999999999997 110.993 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.3 109.25 16.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 0.794 . . . . 75.319999999999993 109.295 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.416 ' CH2' ' CE2' ' A' ' 11' ' ' TYR . 66.7 p-90 -128.42 128.86 45.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 74.349999999999994 107.992 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.0 m -86.38 150.82 24.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 70.099999999999994 110.4 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -115.39 -62.89 1.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 74.209999999999994 111.005 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -135.02 75.84 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 74.329999999999998 109.278 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.64 -59.52 4.42 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.524 1.14 . . . . 75.040000000000006 110.997 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.4 pp -61.81 140.57 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 64.549999999999997 109.312 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 67.2 m -104.77 155.52 18.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 74.519999999999996 110.376 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.416 ' CE2' ' CH2' ' A' ' 4' ' ' TRP . 8.1 m-30 -106.01 128.23 53.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.452 1.095 . . . . 75.409999999999997 111.002 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -114.95 151.54 33.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 75.120000000000005 110.296 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 122.04 -108.67 1.32 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.525 1.141 . . . . 72.129999999999995 111.016 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 103.28 134.57 8.34 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.031 -0.828 . . . . 75.219999999999999 111.031 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 131.67 -88.65 0.28 Allowed Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.004 -0.839 . . . . 73.400000000000006 111.004 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -137.49 -161.36 8.89 Favored Glycine 0 CA--C 1.531 1.056 0 N-CA-C 110.994 -0.842 . . . . 71.129999999999995 110.994 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 137.17 145.42 4.95 Favored Glycine 0 CA--C 1.529 0.969 0 N-CA-C 110.991 -0.843 . . . . 74.340000000000003 110.991 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -151.63 170.31 31.13 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.035 -0.826 . . . . 74.120000000000005 111.035 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -137.47 -80.87 0.09 OUTLIER Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.978 -0.849 . . . . 71.219999999999999 110.978 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.07 -178.99 0.02 OUTLIER Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.042 -0.823 . . . . 71.209999999999994 111.042 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.427 ' OG ' ' N ' ' A' ' 24' ' ' GLU . 1.8 p -175.0 151.38 1.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 0.738 . . . . 63.329999999999998 109.989 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.87 -37.09 68.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 61.200000000000003 109.3 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.67 -21.41 38.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 74.340000000000003 109.279 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.457 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 6.7 mm-40 -72.78 -24.19 60.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 74.0 110.272 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.97 -22.01 59.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 74.299999999999997 109.339 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.606 ' CG ' ' N ' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -93.98 -51.29 4.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 75.329999999999998 111.015 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.606 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -63.56 -14.07 47.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 74.019999999999996 109.323 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.457 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 21.8 ttpt -87.23 -49.6 7.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 64.530000000000001 109.342 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.465 ' O ' ' C ' ' A' ' 30' ' ' ILE . 4.7 tpt180 -64.12 -46.71 82.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 74.310000000000002 110.286 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.564 HG13 ' CD1' ' A' ' 26' ' ' TYR . 0.9 OUTLIER -35.83 -47.34 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 75.129999999999995 109.285 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -41.45 -57.3 2.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 71.400000000000006 109.312 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.448 ' HB2' ' CZ ' ' A' ' 29' ' ' ARG . 5.6 mt-10 -45.01 -56.86 4.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 74.239999999999995 110.358 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.51 -56.52 12.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 72.030000000000001 109.336 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.7 mmt -62.13 -12.39 19.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 74.010000000000005 110.992 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -88.99 117.64 28.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 71.310000000000002 109.298 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.46 -53.1 32.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 74.310000000000002 109.268 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 O-C-N 124.548 1.155 . . . . 61.450000000000003 111.008 179.974 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.327 -0.249 . . . . 64.310000000000002 110.327 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 118.73 -163.59 13.13 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 63.149999999999999 111.031 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 5' ' ' THR . 2.9 mtpp -79.75 107.68 12.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 75.019999999999996 109.309 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.429 ' HA ' ' CE3' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -57.84 89.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 75.329999999999998 108.02 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 3' ' ' LYS . 1.7 p -129.4 126.21 38.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 73.109999999999999 110.399 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -128.04 -53.34 1.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 74.420000000000002 110.976 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -89.9 -54.33 4.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 74.099999999999994 109.262 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 179.51 -35.83 0.07 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.486 1.116 . . . . 62.439999999999998 111.038 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -90.75 143.45 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.779 . . . . 72.329999999999998 109.277 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.7 m -73.69 138.52 44.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 75.329999999999998 110.414 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.443 ' O ' ' N ' ' A' ' 13' ' ' GLY . 8.9 m-30 -106.48 28.8 7.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 74.530000000000001 110.969 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 13' ' ' GLY . 0.2 OUTLIER -38.81 -29.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 71.200000000000003 110.269 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -174.01 131.14 1.96 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.131 . . . . 62.299999999999997 110.965 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -142.94 -155.66 6.51 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.988 -0.845 . . . . 63.25 110.988 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -170.8 153.71 21.41 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.013 -0.835 . . . . 72.200000000000003 111.013 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -130.74 -146.26 5.86 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.022 -0.831 . . . . 75.140000000000001 111.022 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -115.54 -128.54 4.39 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.001 -0.839 . . . . 45.009999999999998 111.001 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -47.51 -96.27 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.977 -0.849 . . . . 72.150000000000006 110.977 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -95.76 -167.15 34.86 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.997 -0.841 . . . . 61.439999999999998 110.997 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -177.73 163.38 31.71 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.989 -0.844 . . . . 75.340000000000003 110.989 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.8 p -58.83 -17.92 27.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 0.74 . . . . 74.319999999999993 109.966 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.01 -18.88 61.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 70.019999999999996 109.335 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.471 ' O ' ' CD2' ' A' ' 26' ' ' TYR . . . -108.09 19.84 19.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 74.099999999999994 109.294 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.422 ' CG ' ' N ' ' A' ' 25' ' ' ALA . 9.7 pt-20 -81.77 -42.29 19.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 73.25 110.268 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.422 ' N ' ' CG ' ' A' ' 24' ' ' GLU . . . -48.37 -28.08 2.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 73.120000000000005 109.281 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.613 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -93.44 -43.47 8.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 74.010000000000005 110.986 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.494 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -66.1 -11.39 48.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 74.129999999999995 109.311 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -81.59 -67.12 0.81 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 65.420000000000002 109.246 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 30' ' ' ILE . 13.1 mtm180 -51.18 -42.26 60.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 74.340000000000003 110.348 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.575 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.1 mm -37.48 -61.58 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 55.299999999999997 109.247 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.52 -53.6 4.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 62.409999999999997 109.325 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -47.98 -57.19 6.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 74.209999999999994 110.31 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.82 -54.81 24.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.562 1.163 . . . . 75.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 20.9 mmt -62.29 -12.2 19.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 65.109999999999999 111.015 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -92.93 77.47 4.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 75.150000000000006 109.3 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -46.5 166.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 71.040000000000006 109.328 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.494 1.121 . . . . 70.329999999999998 110.995 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.305 -0.258 . . . . 74.120000000000005 110.305 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 108.91 -169.22 13.81 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.466 1.104 . . . . 63.399999999999999 110.957 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.4 pttt -67.55 127.75 33.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 0.771 . . . . 73.349999999999994 109.287 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 67.1 p-90 -120.54 157.74 28.8 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.996 -1.113 . . . . 73.510000000000005 107.996 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.9 p -135.63 140.67 44.73 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 75.349999999999994 110.41 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -110.92 -54.41 2.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 75.129999999999995 111.026 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -72.69 -64.39 0.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 72.140000000000001 109.293 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.449 ' O ' ' CG2' ' A' ' 9' ' ' ILE . . . 159.85 43.0 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.557 1.16 . . . . 64.510000000000005 110.998 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.53 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 1.8 pp -157.74 139.08 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 0.774 . . . . 72.129999999999995 109.291 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.0 m -50.11 137.5 17.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 74.209999999999994 110.395 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.53 ' CD1' ' O ' ' A' ' 9' ' ' ILE . 12.5 m-30 -110.32 163.36 13.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 75.310000000000002 110.978 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -134.19 162.21 32.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 74.200000000000003 110.296 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -170.82 171.73 43.94 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.507 1.129 . . . . 73.329999999999998 110.962 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -143.41 174.67 23.83 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.963 -0.855 . . . . 71.319999999999993 110.963 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 127.25 -122.32 4.2 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.995 -0.842 . . . . 61.140000000000001 110.995 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -114.16 -117.01 3.25 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.02 -0.832 . . . . 72.230000000000004 111.02 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.68 -160.66 1.0 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.029 -0.828 . . . . 72.25 111.029 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.53 -124.07 0.16 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.01 -0.836 . . . . 74.209999999999994 111.01 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.25 98.28 2.32 Favored Glycine 0 CA--C 1.529 0.946 0 N-CA-C 111.005 -0.838 . . . . 44.520000000000003 111.005 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 170.4 162.88 23.48 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.996 -0.842 . . . . 74.420000000000002 110.996 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.2 p -54.16 127.0 25.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.553 0.796 . . . . 74.109999999999999 109.997 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -107.11 -50.49 3.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 74.019999999999996 109.337 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.17 -21.21 64.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 71.209999999999994 109.273 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -88.32 16.57 6.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 72.319999999999993 110.281 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -131.22 -46.27 1.0 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 75.129999999999995 109.317 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.595 ' CG ' ' N ' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -92.21 -50.0 5.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 74.239999999999995 110.995 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.595 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -65.05 -15.68 62.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 74.310000000000002 109.308 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.447 ' CG ' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -85.92 -49.19 8.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 74.519999999999996 109.299 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.455 ' O ' ' C ' ' A' ' 30' ' ' ILE . 0.2 OUTLIER -64.09 -46.02 86.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 74.150000000000006 110.334 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.517 HG13 ' CD1' ' A' ' 26' ' ' TYR . 0.9 OUTLIER -35.75 -61.93 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 74.239999999999995 109.322 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -41.45 -52.38 3.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 73.530000000000001 109.335 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 29' ' ' ARG . 5.5 mt-10 -49.98 -57.12 8.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 73.150000000000006 110.315 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.68 -57.29 9.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 72.349999999999994 109.285 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 7.2 mtt -62.6 -12.02 20.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 74.409999999999997 110.975 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -98.38 133.85 42.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 74.120000000000005 109.295 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.81 111.02 18.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 73.140000000000001 109.276 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.456 1.097 . . . . 64.400000000000006 110.974 179.992 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.315 -0.254 . . . . 71.430000000000007 110.315 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -154.12 80.18 0.19 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.446 1.091 . . . . 75.319999999999993 110.994 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.0 ptpt -137.26 146.69 45.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 0.785 . . . . 75.329999999999998 109.268 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.506 ' O ' ' CE3' ' A' ' 4' ' ' TRP . 64.9 p-90 -162.22 109.83 1.36 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.993 -1.114 . . . . 65.109999999999999 107.993 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.492 ' CG2' ' O ' ' A' ' 9' ' ' ILE . 59.0 p -92.57 102.08 14.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 74.25 110.375 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -57.88 -45.28 86.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 75.549999999999997 110.959 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -118.27 -60.57 1.77 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 74.439999999999998 109.339 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -172.36 32.29 0.12 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 72.209999999999994 111.019 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.577 HG13 ' CD1' ' A' ' 11' ' ' TYR . 0.6 OUTLIER -122.01 149.45 25.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 0.742 . . . . 74.230000000000004 109.295 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.415 ' CG2' ' HG2' ' A' ' 12' ' ' GLU . 80.3 m -47.36 -63.55 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 74.230000000000004 110.384 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.577 ' CD1' HG13 ' A' ' 9' ' ' ILE . 4.1 m-30 55.2 31.21 16.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 74.5 110.981 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.415 ' HG2' ' CG2' ' A' ' 10' ' ' THR . 4.0 pt-20 -72.52 136.26 45.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 65.409999999999997 110.335 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 145.47 -79.61 0.23 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.468 1.105 . . . . 71.430000000000007 111.023 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 145.91 -168.32 27.57 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.994 -0.842 . . . . 63.219999999999999 110.994 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 151.79 -148.62 19.82 Favored Glycine 0 CA--C 1.531 1.031 0 N-CA-C 110.972 -0.851 . . . . 74.239999999999995 110.972 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 107.41 -75.32 0.22 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.029 -0.828 . . . . 71.349999999999994 111.029 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 137.2 162.58 9.39 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.983 -0.847 . . . . 72.239999999999995 110.983 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.25 72.56 1.15 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.04 -0.824 . . . . 72.549999999999997 111.04 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.61 -153.87 19.63 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.961 -0.856 . . . . 73.299999999999997 110.961 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 22' ' ' ALA . . . 135.33 159.87 8.77 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.986 -0.846 . . . . 72.439999999999998 110.986 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.436 ' CB ' ' CD ' ' A' ' 24' ' ' GLU . 13.2 p -39.08 96.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.769 . . . . 74.040000000000006 109.992 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 20' ' ' GLY . . . -125.26 -44.08 1.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 71.200000000000003 109.341 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.442 ' O ' ' CD2' ' A' ' 26' ' ' TYR . . . -119.77 17.83 12.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 73.430000000000007 109.316 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.436 ' CD ' ' CB ' ' A' ' 21' ' ' SER . 13.0 pt-20 -74.06 -28.85 61.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 72.310000000000002 110.276 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.53 -36.59 76.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 71.439999999999998 109.281 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.637 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -81.84 -37.09 27.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 74.329999999999998 111.027 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.4 -7.31 57.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 73.450000000000003 109.306 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.597 ' CE ' ' CZ ' ' A' ' 29' ' ' ARG . 5.1 tttt -81.93 -40.92 21.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 74.209999999999994 109.319 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.597 ' CZ ' ' CE ' ' A' ' 28' ' ' LYS . 27.7 mmt180 -80.85 -41.56 22.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 74.340000000000003 110.291 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.578 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.1 mm -37.59 -52.22 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 71.420000000000002 109.26 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -48.85 -52.85 21.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 73.530000000000001 109.319 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 29' ' ' ARG . 3.8 mt-10 -47.12 -55.83 7.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 71.310000000000002 110.332 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.66 -47.33 73.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 73.430000000000007 109.26 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.0 mtt -63.41 -11.67 24.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 74.200000000000003 110.974 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -105.63 135.28 47.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 71.209999999999994 109.294 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.63 145.11 26.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 74.420000000000002 109.305 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.499 1.125 . . . . 63.210000000000001 111.006 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.334 -0.247 . . . . 73.040000000000006 110.334 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 104.87 -175.33 22.22 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.535 1.147 . . . . 74.340000000000003 111.047 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -52.64 116.52 2.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 0.738 . . . . 75.019999999999996 109.299 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.449 ' HA ' ' CE3' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -62.98 83.09 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.953 -1.129 . . . . 71.209999999999994 107.953 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 3' ' ' LYS . 1.1 p -115.84 124.07 49.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.1 . . . . 74.219999999999999 110.398 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -124.09 -59.91 1.46 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 72.040000000000006 111.028 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.82 -52.45 5.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 61.210000000000001 109.239 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -178.54 -36.71 0.06 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.566 1.166 . . . . 71.439999999999998 111.031 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -92.94 143.23 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 0.753 . . . . 75.109999999999999 109.271 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.4 p -71.32 141.85 50.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 75.430000000000007 110.382 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.419 ' O ' ' C ' ' A' ' 12' ' ' GLU . 9.1 m-30 -108.73 5.89 25.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 73.040000000000006 111.024 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -37.43 150.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 64.239999999999995 110.312 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -176.82 116.4 0.55 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.513 1.133 . . . . 64.230000000000004 110.975 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -111.63 -65.68 0.51 Allowed Glycine 0 CA--C 1.531 1.046 0 N-CA-C 111.015 -0.834 . . . . 72.230000000000004 111.015 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 119.75 -88.99 0.44 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.012 -0.835 . . . . 70.109999999999999 111.012 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -41.99 -71.76 0.34 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.995 -0.842 . . . . 74.230000000000004 110.995 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.08 119.02 11.01 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.01 -0.836 . . . . 72.209999999999994 111.01 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.03 124.24 5.2 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.98 -0.848 . . . . 74.319999999999993 110.98 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 158.46 179.91 33.66 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.974 -0.85 . . . . 71.140000000000001 110.974 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -161.11 94.22 0.13 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.003 -0.839 . . . . 61.520000000000003 111.003 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 56.2 m -119.87 36.08 4.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 0.775 . . . . 61.210000000000001 109.998 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.89 105.62 17.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 64.109999999999999 109.275 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.565 ' HA ' ' CD2' ' A' ' 26' ' ' TYR . . . 74.95 28.59 1.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 73.239999999999995 109.293 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.412 ' CG ' ' N ' ' A' ' 25' ' ' ALA . 11.1 pt-20 -94.81 -41.49 9.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.483 1.115 . . . . 70.129999999999995 110.285 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.412 ' N ' ' CG ' ' A' ' 24' ' ' GLU . . . -114.05 -51.2 2.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 43.530000000000001 109.298 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.607 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -52.96 -45.81 67.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 74.340000000000003 111.019 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.534 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -69.01 -15.6 63.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 73.129999999999995 109.331 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.83 -50.84 7.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 74.510000000000005 109.338 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.453 ' O ' ' C ' ' A' ' 30' ' ' ILE . 19.2 mtm180 -65.77 -41.36 92.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 75.450000000000003 110.276 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.569 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -36.82 -55.2 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 75.439999999999998 109.283 -179.913 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.6 -52.91 16.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 72.430000000000007 109.301 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 29' ' ' ARG . 3.9 mt-10 -49.05 -55.94 10.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 75.150000000000006 110.349 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.83 -54.55 27.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 70.340000000000003 109.295 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 8.3 mmt -62.21 -12.23 19.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 74.030000000000001 110.985 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -85.76 -59.23 2.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 73.310000000000002 109.255 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.42 121.22 14.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 74.030000000000001 109.334 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.531 1.144 . . . . 63.240000000000002 111.007 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.331 -0.248 . . . . 74.5 110.331 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -118.55 97.26 0.7 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 61.0 111.016 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.61 140.62 30.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 0.74 . . . . 73.340000000000003 109.299 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.423 ' O ' ' CE3' ' A' ' 4' ' ' TRP . 62.3 p-90 -142.71 117.71 10.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 70.239999999999995 107.991 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 54.7 m -77.16 149.3 35.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 71.409999999999997 110.38 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -123.52 -56.23 1.71 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 75.439999999999998 110.956 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -125.91 47.81 2.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 65.329999999999998 109.298 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.0 -45.6 3.5 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.497 1.123 . . . . 45.409999999999997 110.965 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.426 HD12 ' N ' ' A' ' 10' ' ' THR . 0.2 OUTLIER -60.31 136.21 24.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.55 0.794 . . . . 64.109999999999999 109.272 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.426 ' N ' HD12 ' A' ' 9' ' ' ILE . 1.7 m -83.97 127.02 33.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 73.530000000000001 110.425 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.0 m-30 -96.66 115.32 27.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 74.120000000000005 110.992 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -110.52 138.57 46.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 71.239999999999995 110.29 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.43 -178.72 51.44 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 65.010000000000005 111.005 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 57.91 85.78 0.03 OUTLIER Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.02 -0.832 . . . . 73.140000000000001 111.02 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -101.97 -80.88 1.52 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.996 -0.842 . . . . 74.409999999999997 110.996 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -103.56 114.06 4.69 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 111.022 -0.831 . . . . 70.099999999999994 111.022 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.32 -171.16 25.23 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.983 -0.847 . . . . 53.450000000000003 110.983 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 175.85 -108.8 0.27 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.962 -0.855 . . . . 60.329999999999998 110.962 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 173.66 150.34 7.48 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.973 -0.851 . . . . 74.540000000000006 110.973 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 58.57 179.41 1.11 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.996 -0.841 . . . . 73.349999999999994 110.996 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.39 38.28 0.93 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 0.765 . . . . 74.310000000000002 110.003 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.76 -20.19 43.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 74.030000000000001 109.289 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.422 ' O ' ' CD2' ' A' ' 26' ' ' TYR . . . -113.68 18.7 17.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 71.219999999999999 109.263 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 28' ' ' LYS . 9.6 pt-20 -83.24 -31.51 26.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 75.120000000000005 110.321 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.05 -34.42 68.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 72.239999999999995 109.312 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.638 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -82.9 -38.84 22.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 74.310000000000002 111.016 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.437 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -77.2 -7.62 56.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 73.340000000000003 109.291 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.42 ' HD3' ' CZ ' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -82.36 -41.75 19.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.442 1.089 . . . . 75.409999999999997 109.294 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 30' ' ' ILE . 28.3 mmt180 -79.76 -41.46 26.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 74.109999999999999 110.278 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.586 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.1 mm -37.61 -60.73 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 75.230000000000004 109.311 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 30' ' ' ILE . . . -40.51 -55.17 2.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 74.409999999999997 109.283 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -45.49 -57.11 4.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 74.349999999999994 110.323 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.6 -39.23 70.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 71.299999999999997 109.318 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 16.8 mmt -88.17 19.74 3.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 64.420000000000002 111.002 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -131.84 70.85 1.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 72.010000000000005 109.305 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.63 -20.89 13.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 74.209999999999994 109.295 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 O-C-N 124.471 1.107 . . . . 74.349999999999994 110.989 -179.967 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.299 -0.26 . . . . 75.230000000000004 110.299 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 116.97 105.56 2.39 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.506 1.129 . . . . 62.210000000000001 110.988 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.436 ' HG3' ' CB ' ' A' ' 12' ' ' GLU . 4.1 mmtt -91.44 176.39 6.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 0.771 . . . . 71.329999999999998 109.294 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.58 ' CE3' ' O ' ' A' ' 4' ' ' TRP . 37.1 p-90 -170.77 115.08 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.981 -1.118 . . . . 75.120000000000005 107.981 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.496 ' CG2' ' O ' ' A' ' 9' ' ' ILE . 12.7 m -62.2 146.88 49.52 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 65.219999999999999 110.405 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.544 ' CG ' ' O ' ' A' ' 6' ' ' TYR . 6.1 t80 -127.08 69.0 1.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 74.120000000000005 111.031 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.406 ' CB ' ' O ' ' A' ' 6' ' ' TYR . 4.1 t-20 74.95 43.57 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 75.140000000000001 109.319 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.45 -43.08 1.75 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.481 1.113 . . . . 65.209999999999994 110.972 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.614 ' CG2' ' CD1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -46.06 170.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 74.349999999999994 109.271 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.473 ' N ' ' CG2' ' A' ' 9' ' ' ILE . 12.2 m -122.17 -39.68 2.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 75.430000000000007 110.391 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.614 ' CD1' ' CG2' ' A' ' 9' ' ' ILE . 10.8 m-30 47.95 33.18 3.21 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.517 1.136 . . . . 73.150000000000006 110.993 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.452 ' HB3' ' CG2' ' A' ' 10' ' ' THR . 24.1 tt0 -102.26 -18.48 15.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 72.319999999999993 110.325 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.3 103.86 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.504 1.128 . . . . 74.519999999999996 111.013 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 47.58 -148.12 3.63 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.968 -0.853 . . . . 70.219999999999999 110.968 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.29 -71.89 1.07 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.983 -0.847 . . . . 74.439999999999998 110.983 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -150.2 -73.57 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.033 -0.827 . . . . 73.200000000000003 111.033 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -115.27 -70.84 0.49 Allowed Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.017 -0.833 . . . . 64.409999999999997 111.017 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -152.27 -168.97 17.13 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.024 -0.83 . . . . 74.420000000000002 111.024 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.93 104.27 3.14 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.976 -0.849 . . . . 75.329999999999998 110.976 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -111.32 -81.78 1.2 Allowed Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.968 -0.853 . . . . 73.140000000000001 110.968 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.18 84.2 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 0.777 . . . . 63.350000000000001 109.965 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.88 -56.17 11.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 63.409999999999997 109.274 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 26' ' ' TYR . . . -52.29 -61.73 2.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 73.340000000000003 109.285 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -42.98 -39.25 2.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 74.400000000000006 110.303 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.3 -43.97 75.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 75.099999999999994 109.285 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.638 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -67.51 -36.9 81.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 74.120000000000005 110.981 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 30' ' ' ILE . . . -64.58 -73.97 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 74.400000000000006 109.283 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -39.74 -39.33 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 74.030000000000001 109.261 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 30' ' ' ILE . 0.3 OUTLIER -66.7 -48.88 67.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 75.430000000000007 110.287 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.569 HG13 ' CD1' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -39.72 -54.12 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 74.409999999999997 109.305 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.93 -52.06 15.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 74.109999999999999 109.31 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -48.97 -56.81 7.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 70.230000000000004 110.286 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.97 -54.53 28.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 72.409999999999997 109.353 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 12.8 mmt -62.32 -12.19 19.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 62.43 111.008 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -85.62 128.81 34.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.165 . . . . 64.430000000000007 109.296 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.5 mttt 67.21 41.66 2.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 74.310000000000002 109.261 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.492 1.12 . . . . 73.430000000000007 111.004 179.981 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.292 -0.262 . . . . 71.010000000000005 110.292 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -97.05 -64.25 0.91 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.499 1.124 . . . . 65.319999999999993 110.985 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.95 139.44 57.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 73.230000000000004 109.329 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.56 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 67.8 p-90 -133.34 115.51 14.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 64.540000000000006 108.034 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.3 p -59.36 123.76 17.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 75.150000000000006 110.438 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.56 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 8.0 t80 -102.74 -66.96 0.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 75.319999999999993 110.996 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.542 ' HB2' ' CE2' ' A' ' 6' ' ' TYR . 6.3 t-20 -132.26 63.68 1.62 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 75.150000000000006 109.318 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 64.02 31.34 80.48 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.486 1.116 . . . . 74.150000000000006 110.971 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.5 pp -142.38 141.64 28.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.769 . . . . 73.209999999999994 109.299 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 26.4 m -101.33 151.96 21.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 75.540000000000006 110.4 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.3 m-30 -103.18 33.1 3.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 64.209999999999994 111.002 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -90.89 32.62 0.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 75.510000000000005 110.349 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.19 -75.09 0.84 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.502 1.126 . . . . 64.409999999999997 110.955 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 130.13 114.16 1.67 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.003 -0.839 . . . . 65.319999999999993 111.003 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.66 140.99 8.02 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.012 -0.835 . . . . 74.420000000000002 111.012 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -154.17 171.1 32.75 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.995 -0.842 . . . . 72.120000000000005 110.995 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 59.69 -131.58 50.91 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.989 -0.844 . . . . 65.120000000000005 110.989 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -164.6 -145.35 4.36 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.987 -0.845 . . . . 52.329999999999998 110.987 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -92.02 169.93 32.69 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 111.043 -0.823 . . . . 73.420000000000002 111.043 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 43.84 -106.48 0.1 OUTLIER Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.002 -0.839 . . . . 71.310000000000002 111.002 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.3 m -72.32 71.21 0.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 0.746 . . . . 73.200000000000003 109.956 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.65 92.39 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 65.340000000000003 109.281 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 55.11 24.97 6.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 62.549999999999997 109.245 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -95.13 19.44 10.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 75.040000000000006 110.309 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -117.03 -39.05 3.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 61.420000000000002 109.319 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.628 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -85.59 -42.42 14.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 73.299999999999997 111.039 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.46 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -66.81 -11.56 55.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 60.100000000000001 109.312 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -80.63 -67.46 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 71.219999999999999 109.337 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 32' ' ' GLU . 29.5 mtt180 -51.05 -42.75 60.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 75.430000000000007 110.293 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.58 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.1 mm -37.02 -34.12 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 72.409999999999997 109.292 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 29' ' ' ARG . . . -54.24 -56.6 16.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 71.409999999999997 109.29 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.562 ' CG ' ' N ' ' A' ' 33' ' ' ALA . 7.6 pt-20 -53.45 -49.66 66.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 64.439999999999998 110.318 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.562 ' N ' ' CG ' ' A' ' 32' ' ' GLU . . . -50.48 -56.33 12.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.112 . . . . 72.519999999999996 109.304 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.1 mtt -62.5 -13.14 27.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 73.340000000000003 111.048 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -102.54 159.11 15.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 61.329999999999998 109.272 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.9 mtmm -94.42 165.97 12.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 74.129999999999995 109.301 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.462 1.101 . . . . 61.450000000000003 111.041 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.335 -0.246 . . . . 72.430000000000007 110.335 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -121.3 -101.0 1.73 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.448 1.093 . . . . 72.549999999999997 111.008 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -89.28 124.65 34.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.765 . . . . 74.299999999999997 109.275 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.35 63.41 2.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 73.010000000000005 107.996 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.5 m -92.79 123.95 36.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.153 . . . . 74.5 110.448 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.528 ' O ' ' CG ' ' A' ' 6' ' ' TYR . 23.8 t80 -125.81 77.3 1.65 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 74.209999999999994 110.991 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 50.1 m-20 40.84 54.99 3.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.103 . . . . 73.109999999999999 109.357 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 170.47 -127.09 1.41 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.444 1.09 . . . . 72.150000000000006 110.965 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.4 pp -96.84 135.39 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 74.420000000000002 109.325 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 53.2 m -62.44 148.77 44.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 71.040000000000006 110.38 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.7 m-30 -113.32 90.44 3.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 73.409999999999997 111.017 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.65 145.09 16.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 73.030000000000001 110.273 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -120.3 -146.61 7.69 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.501 1.126 . . . . 74.25 111.05 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -86.78 112.13 3.74 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.996 -0.842 . . . . 73.329999999999998 110.996 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -174.31 -141.56 3.65 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.011 -0.836 . . . . 70.349999999999994 111.011 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.09 -104.49 0.02 OUTLIER Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.028 -0.829 . . . . 74.120000000000005 111.028 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -142.59 -71.88 0.03 OUTLIER Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.99 -0.844 . . . . 75.430000000000007 110.99 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 124.85 128.05 3.21 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.041 -0.824 . . . . 71.140000000000001 111.041 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 162.19 -172.96 38.43 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.008 -0.837 . . . . 52.439999999999998 111.008 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 151.01 82.2 0.04 OUTLIER Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.023 -0.831 . . . . 74.200000000000003 111.023 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.1 p -96.23 96.94 9.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 0.753 . . . . 71.349999999999994 110.012 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.04 -64.29 1.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 62.219999999999999 109.288 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -101.67 15.7 28.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 74.420000000000002 109.332 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -104.63 -17.14 14.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 71.430000000000007 110.303 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.454 ' HA ' ' CD ' ' A' ' 28' ' ' LYS . . . -104.16 15.03 29.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 71.310000000000002 109.277 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.603 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -113.7 -48.42 2.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 74.230000000000004 111.006 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.569 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -70.59 -7.6 45.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 51.119999999999997 109.344 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.454 ' CD ' ' HA ' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -87.65 -44.51 11.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 73.510000000000005 109.334 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 31' ' ' ALA . 58.8 mtt180 -74.6 -41.9 59.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 60.210000000000001 110.318 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.561 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -37.4 -33.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 75.239999999999995 109.32 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 29' ' ' ARG . . . -49.75 -57.6 6.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 74.349999999999994 109.307 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.552 ' CG ' ' N ' ' A' ' 33' ' ' ALA . 5.9 pt-20 -57.25 -49.57 75.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 73.129999999999995 110.274 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.552 ' N ' ' CG ' ' A' ' 32' ' ' GLU . . . -47.26 -66.23 0.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 75.409999999999997 109.316 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 9.1 mmm -58.86 -14.77 9.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 74.329999999999998 111.0 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 36' ' ' LYS . . . -91.53 138.92 31.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 71.120000000000005 109.305 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 35' ' ' ALA . 35.2 mtmm -40.48 155.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 74.340000000000003 109.263 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 73.239999999999995 111.007 179.978 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.273 -0.269 . . . . 70.310000000000002 110.273 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 154.63 -63.23 0.35 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.483 1.114 . . . . 74.319999999999993 111.012 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -100.46 124.03 45.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 0.736 . . . . 73.400000000000006 109.311 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.486 ' CB ' ' HB2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -48.66 -76.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.995 -1.113 . . . . 75.5 107.995 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.6 m 53.21 48.21 22.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 71.310000000000002 110.366 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -66.89 -65.37 0.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 70.540000000000006 110.98 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -102.56 38.25 1.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 63.009999999999998 109.317 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.48 -33.4 4.36 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.498 1.124 . . . . 62.140000000000001 110.998 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -82.19 142.16 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 63.439999999999998 109.253 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -90.48 131.58 36.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 71.140000000000001 110.391 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.486 ' HB2' ' CB ' ' A' ' 4' ' ' TRP . 8.3 m-30 -100.93 79.14 2.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 74.129999999999995 111.031 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -65.29 -21.81 66.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 62.299999999999997 110.34 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 150.11 151.93 5.66 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.447 1.092 . . . . 74.530000000000001 111.026 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.17 -118.17 4.57 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.041 -0.824 . . . . 73.329999999999998 111.041 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 38.88 92.14 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.995 -0.842 . . . . 74.319999999999993 110.995 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.28 -126.78 8.88 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 111.007 -0.837 . . . . 73.219999999999999 111.007 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 138.37 131.45 2.89 Favored Glycine 0 CA--C 1.531 1.058 0 N-CA-C 110.968 -0.853 . . . . 74.049999999999997 110.968 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 122.2 -150.65 16.96 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.986 -0.846 . . . . 74.239999999999995 110.986 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.19 -151.82 0.34 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.018 -0.833 . . . . 62.399999999999999 111.018 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.0 66.31 0.58 Allowed Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.016 -0.834 . . . . 71.510000000000005 111.016 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.5 p 49.47 29.48 2.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 0.768 . . . . 75.409999999999997 110.012 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.24 96.27 10.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 73.409999999999997 109.253 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.482 ' HB2' ' CE2' ' A' ' 26' ' ' TYR . . . 75.02 26.44 1.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 61.149999999999999 109.287 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 28' ' ' LYS . 2.1 pt-20 -63.18 -33.79 76.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 74.519999999999996 110.307 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.98 -54.15 42.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 72.209999999999994 109.297 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.636 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -74.89 -33.67 62.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 63.530000000000001 110.985 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.01 -0.05 29.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 64.530000000000001 109.259 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 24' ' ' GLU . 2.8 tttp -87.8 -42.49 12.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 74.239999999999995 109.302 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 32' ' ' GLU . 22.0 mmt180 -79.66 -41.01 27.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 74.209999999999994 110.304 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.551 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.2 mm -37.64 -51.31 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 73.310000000000002 109.333 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.01 -52.14 45.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 75.030000000000001 109.277 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 29' ' ' ARG . 3.2 mt-10 -48.08 -56.05 8.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 70.219999999999999 110.309 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.99 -48.59 70.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 70.310000000000002 109.282 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 45.5 mmm -64.23 -11.56 32.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 75.219999999999999 111.028 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -100.53 97.34 8.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 72.200000000000003 109.321 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -45.7 -65.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 72.129999999999995 109.284 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.509 1.131 . . . . 63.520000000000003 111.028 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.282 -0.266 . . . . 74.420000000000002 110.282 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 100.35 -75.8 0.43 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.537 1.148 . . . . 71.299999999999997 110.956 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 5' ' ' THR . 0.1 OUTLIER -65.67 106.27 1.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 0.78 . . . . 74.420000000000002 109.274 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -55.35 91.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.98 -1.119 . . . . 74.040000000000006 107.98 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 3' ' ' LYS . 63.8 m -122.25 134.61 54.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 74.430000000000007 110.401 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.536 ' O ' ' CG ' ' A' ' 6' ' ' TYR . 24.1 t80 -131.68 66.73 1.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 75.010000000000005 110.969 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 43.41 54.08 5.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 71.430000000000007 109.286 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -179.5 -122.37 0.77 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.517 1.135 . . . . 73.349999999999994 110.985 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.402 ' O ' ' CE1' ' A' ' 11' ' ' TYR . 1.5 pp -101.39 133.98 43.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.473 0.749 . . . . 74.230000000000004 109.324 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.4 HG21 ' N ' ' A' ' 11' ' ' TYR . 52.8 m -65.15 150.08 48.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 64.099999999999994 110.408 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.402 ' CE1' ' O ' ' A' ' 9' ' ' ILE . 16.8 m-30 -112.91 85.14 2.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 75.340000000000003 111.008 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -66.79 -26.02 66.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 74.219999999999999 110.308 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 58.04 113.52 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.483 1.114 . . . . 54.119999999999997 111.011 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 102.93 -131.14 10.5 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.02 -0.832 . . . . 73.200000000000003 111.02 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -152.6 -66.71 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.01 -0.836 . . . . 64.109999999999999 111.01 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -42.12 154.86 0.12 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.992 -0.843 . . . . 64.049999999999997 110.992 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 137.33 160.73 8.68 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.002 -0.839 . . . . 64.310000000000002 111.002 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 73.85 134.46 0.28 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.023 -0.831 . . . . 62.119999999999997 111.023 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 164.56 -66.42 0.22 Allowed Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.027 -0.829 . . . . 42.420000000000002 111.027 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -125.57 -155.91 9.16 Favored Glycine 0 CA--C 1.529 0.947 0 N-CA-C 111.011 -0.835 . . . . 52.119999999999997 111.011 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.6 m -96.74 104.35 16.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 73.200000000000003 110.011 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.55 -63.95 1.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 73.230000000000004 109.275 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -108.78 18.94 20.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 65.200000000000003 109.291 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -112.63 155.18 24.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 65.439999999999998 110.284 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 60.52 24.95 14.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 75.299999999999997 109.3 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.588 ' CD1' HG13 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -133.41 -50.38 0.86 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 72.230000000000004 110.974 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.575 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -66.3 -10.7 45.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 64.140000000000001 109.302 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.448 ' CG ' ' N ' ' A' ' 29' ' ' ARG . 14.9 ptmt -87.74 -52.22 5.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 75.120000000000005 109.344 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.452 ' O ' ' C ' ' A' ' 30' ' ' ILE . 46.0 mtt180 -65.3 -42.72 92.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 75.219999999999999 110.29 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.588 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -36.52 -48.64 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 73.450000000000003 109.305 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.5 -55.84 6.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 73.319999999999993 109.333 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.549 ' CG ' ' N ' ' A' ' 33' ' ' ALA . 0.9 OUTLIER -49.97 -49.16 51.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 74.200000000000003 110.268 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.549 ' N ' ' CG ' ' A' ' 32' ' ' GLU . . . -54.61 -55.2 31.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 42.409999999999997 109.333 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -61.65 -12.6 16.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 74.219999999999999 111.005 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -88.48 77.27 8.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 62.030000000000001 109.307 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.99 139.75 15.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 74.140000000000001 109.285 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.505 1.128 . . . . 65.400000000000006 111.019 179.991 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.304 -0.258 . . . . 74.340000000000003 110.304 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -131.51 -55.97 0.09 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.476 1.11 . . . . 64.430000000000007 110.987 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.63 115.78 0.61 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 0.794 . . . . 74.310000000000002 109.279 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.586 ' CE3' ' O ' ' A' ' 4' ' ' TRP . 59.7 p-90 -108.29 107.25 17.77 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.569 1.168 . . . . 74.209999999999994 107.977 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.75 141.84 55.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 75.120000000000005 110.38 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -123.29 88.92 3.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 75.040000000000006 111.02 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 64.74 48.83 2.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 53.530000000000001 109.309 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 9' ' ' ILE . . . 97.01 -58.7 1.2 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.533 1.146 . . . . 70.109999999999999 111.047 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.614 ' CG2' ' CE1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -39.58 133.49 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.482 0.754 . . . . 74.219999999999999 109.318 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -104.57 119.18 38.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.137 . . . . 64.299999999999997 110.428 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.614 ' CE1' ' CG2' ' A' ' 9' ' ' ILE . 4.1 m-30 -103.7 91.82 4.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 74.329999999999998 111.007 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.499 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 6.8 tt0 -90.97 32.99 0.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 74.140000000000001 110.283 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.28 -139.99 30.18 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.5 1.125 . . . . 63.549999999999997 110.983 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 48.27 98.79 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.929 -0.869 . . . . 73.030000000000001 110.929 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 134.82 85.64 0.22 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.99 -0.844 . . . . 71.430000000000007 110.99 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -121.22 111.99 2.0 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.999 -0.84 . . . . 60.219999999999999 110.999 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -168.47 66.58 0.18 Allowed Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.046 -0.821 . . . . 71.120000000000005 111.046 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -130.67 -155.67 8.34 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.011 -0.836 . . . . 51.140000000000001 111.011 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.93 -123.82 8.02 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.971 -0.852 . . . . 41.530000000000001 110.971 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.62 -63.53 1.55 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.986 -0.846 . . . . 72.430000000000007 110.986 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.446 ' HB3' ' CB ' ' A' ' 25' ' ' ALA . 0.9 OUTLIER 41.93 46.97 3.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 63.32 110.001 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.02 96.26 1.03 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 74.209999999999994 109.337 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 66.05 24.99 10.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 75.349999999999994 109.317 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 28' ' ' LYS . 11.8 mt-10 -116.24 -44.6 2.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 72.129999999999995 110.295 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.446 ' CB ' ' HB3' ' A' ' 21' ' ' SER . . . -54.77 -28.6 50.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 74.430000000000007 109.299 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.618 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -86.17 -42.12 14.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 74.030000000000001 111.037 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.481 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -75.29 -7.72 54.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 72.310000000000002 109.299 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 24' ' ' GLU . 0.1 OUTLIER -82.04 -43.75 17.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 75.200000000000003 109.292 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 30' ' ' ILE . 17.5 mmt-85 -78.08 -41.24 36.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 74.549999999999997 110.303 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.586 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.1 mm -37.84 -37.72 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 64.430000000000007 109.323 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.489 ' O ' ' CB ' ' A' ' 35' ' ' ALA . . . -40.33 -56.65 1.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 62.299999999999997 109.271 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.54 ' CG ' ' N ' ' A' ' 33' ' ' ALA . 8.9 pt-20 -50.82 -49.56 58.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.098 . . . . 70.450000000000003 110.31 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.54 ' N ' ' CG ' ' A' ' 32' ' ' GLU . . . -57.72 -70.39 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 61.350000000000001 109.312 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 10.5 ptm -53.08 -18.94 2.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 64.040000000000006 111.029 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 31' ' ' ALA . . . -78.21 -45.38 23.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 74.420000000000002 109.316 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt 40.28 51.44 2.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 75.129999999999995 109.273 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.538 1.149 . . . . 75.439999999999998 111.004 179.949 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.32 -0.252 . . . . 75.329999999999998 110.32 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 146.14 134.57 2.66 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.465 1.103 . . . . 54.439999999999998 111.045 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.78 88.95 3.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 63.210000000000001 109.279 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.46 ' O ' ' CE3' ' A' ' 4' ' ' TRP . 64.3 p-90 -86.4 110.29 19.61 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.962 -1.125 . . . . 75.329999999999998 107.962 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.1 m -61.6 150.7 35.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 74.120000000000005 110.417 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -175.14 135.07 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 75.150000000000006 110.954 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.9 t30 71.01 43.05 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 63.119999999999997 109.328 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.506 ' O ' ' CG2' ' A' ' 9' ' ' ILE . . . 50.43 39.25 36.18 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.521 1.138 . . . . 44.520000000000003 110.984 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.506 ' CG2' ' O ' ' A' ' 8' ' ' GLY . 1.2 pp -163.21 144.91 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 0.784 . . . . 73.439999999999998 109.309 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.6 m -96.71 161.45 13.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 74.310000000000002 110.379 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.428 ' CE2' ' CH2' ' A' ' 4' ' ' TRP . 10.9 m-30 -111.06 108.47 18.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 73.420000000000002 110.98 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -76.92 -16.97 59.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 62.030000000000001 110.26 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 158.61 75.64 0.02 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.512 1.133 . . . . 71.230000000000004 111.01 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.65 150.69 45.2 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.032 -0.827 . . . . 61.009999999999998 111.032 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 128.79 62.9 0.11 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.987 -0.845 . . . . 74.430000000000007 110.987 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -138.22 63.68 0.56 Allowed Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.028 -0.829 . . . . 52.049999999999997 111.028 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -111.02 71.35 0.21 Allowed Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.963 -0.855 . . . . 75.540000000000006 110.963 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.31 132.33 2.7 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.023 -0.831 . . . . 73.310000000000002 111.023 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.21 -57.85 1.84 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.008 -0.837 . . . . 74.239999999999995 111.008 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -40.17 -73.93 0.16 Allowed Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.011 -0.836 . . . . 72.310000000000002 111.011 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.7 p 59.28 43.58 16.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 0.769 . . . . 74.430000000000007 110.021 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.21 -76.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 71.349999999999994 109.261 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -134.97 33.0 3.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 74.400000000000006 109.286 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -101.79 -24.65 14.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 73.430000000000007 110.274 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.18 -25.58 39.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 71.409999999999997 109.293 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.627 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -82.93 -38.55 22.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 72.010000000000005 110.953 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.423 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -66.48 -66.95 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 64.420000000000002 109.308 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -40.04 -42.93 1.49 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 75.109999999999999 109.324 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 30' ' ' ILE . 7.3 tpt180 -66.17 -51.67 55.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 74.109999999999999 110.274 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.565 HG13 ' CD1' ' A' ' 26' ' ' TYR . 0.8 OUTLIER -37.76 -56.5 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 75.230000000000004 109.302 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -43.19 -52.12 5.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 65.439999999999998 109.3 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 29' ' ' ARG . 3.3 mt-10 -51.13 -54.55 24.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 75.230000000000004 110.284 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.12 -52.55 50.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 74.420000000000002 109.363 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.5 mmt -62.01 -12.57 19.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 73.200000000000003 110.988 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -105.14 70.05 0.88 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 74.209999999999994 109.273 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.25 148.2 47.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 73.430000000000007 109.341 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.939 0 O-C-N 124.523 1.139 . . . . 71.120000000000005 110.999 -179.97 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.322 -0.251 . . . . 73.0 110.322 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -52.49 -88.46 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.498 1.124 . . . . 61.219999999999999 110.995 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 33.1 mtmt -44.09 111.42 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 0.735 . . . . 73.420000000000002 109.311 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.576 ' CH2' ' HB2' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -88.75 81.17 7.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 74.219999999999999 108.015 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.434 ' O ' ' CZ3' ' A' ' 4' ' ' TRP . 91.2 m -92.45 138.34 31.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 71.239999999999995 110.41 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.576 ' HB2' ' CH2' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -108.96 -64.01 1.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 75.040000000000006 110.992 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.52 ' N ' ' CG ' ' A' ' 6' ' ' TYR . 7.2 t-20 -130.92 66.83 1.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 74.099999999999994 109.279 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.41 -52.97 3.86 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.434 1.084 . . . . 73.230000000000004 111.021 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.2 pp -62.05 142.52 16.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 0.752 . . . . 75.129999999999995 109.298 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.2 m -105.15 151.77 23.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 74.310000000000002 110.396 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.469 ' CD2' ' NE1' ' A' ' 4' ' ' TRP . 7.1 m-30 -103.12 30.98 4.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 73.340000000000003 111.046 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.67 148.21 0.25 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 73.219999999999999 110.358 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.08 99.53 2.19 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.129 . . . . 72.439999999999998 110.989 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 111.22 -159.46 13.76 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.996 -0.841 . . . . 73.430000000000007 110.996 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 126.96 -95.8 0.44 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.022 -0.831 . . . . 74.450000000000003 111.022 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 17' ' ' GLY . . . -76.31 -153.12 4.61 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.017 -0.833 . . . . 75.140000000000001 111.017 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 16' ' ' GLY . . . -37.9 115.17 0.35 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.014 -0.835 . . . . 53.409999999999997 111.014 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -91.13 160.03 26.85 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.02 -0.832 . . . . 75.319999999999993 111.02 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -174.15 -67.5 0.05 OUTLIER Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.97 -0.852 . . . . 74.209999999999994 110.97 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 116.07 50.35 0.43 Allowed Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.982 -0.847 . . . . 70.420000000000002 110.982 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.404 ' CB ' ' CD ' ' A' ' 24' ' ' GLU . 0.1 OUTLIER -69.02 72.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 74.540000000000006 109.959 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.66 107.98 20.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 74.400000000000006 109.271 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.575 ' O ' ' CD2' ' A' ' 26' ' ' TYR . . . 74.94 25.09 1.45 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 55.43 109.268 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 28' ' ' LYS . 9.7 pt-20 -71.77 -27.2 62.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 74.319999999999993 110.281 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.87 -47.16 60.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 70.510000000000005 109.309 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.662 ' CD1' ' N ' ' A' ' 27' ' ' ALA . 0.1 OUTLIER -82.14 -44.47 16.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 72.129999999999995 110.98 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.662 ' N ' ' CD1' ' A' ' 26' ' ' TYR . . . -61.66 -15.0 36.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 61.149999999999999 109.288 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 24' ' ' GLU . 0.2 OUTLIER -63.53 -54.4 36.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 71.219999999999999 109.321 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -67.95 -43.13 79.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 75.040000000000006 110.322 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' A' ' 29' ' ' ARG . 18.1 mm -37.5 -54.52 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 74.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.13 -53.9 9.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 74.230000000000004 109.357 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 29' ' ' ARG . 2.7 mt-10 -44.77 -54.37 6.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 64.230000000000004 110.336 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.55 -51.93 66.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 52.420000000000002 109.313 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 66.7 mmm -62.45 -12.08 19.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 73.040000000000006 110.999 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -96.04 141.37 29.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 72.430000000000007 109.257 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -40.56 -62.95 0.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 74.420000000000002 109.32 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.528 1.143 . . . . 75.430000000000007 111.001 179.961 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.303 -0.258 . . . . 74.010000000000005 110.303 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 124.0 -142.7 14.39 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.509 1.131 . . . . 73.219999999999999 111.004 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.17 104.71 13.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 0.794 . . . . 72.310000000000002 109.288 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.59 ' O ' ' CE3' ' A' ' 4' ' ' TRP . 66.4 p-90 -100.43 96.12 7.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 73.5 107.977 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 m -61.75 139.76 58.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 72.040000000000006 110.405 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -128.11 99.92 5.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 73.219999999999999 111.023 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.7 m120 61.33 49.59 5.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 72.299999999999997 109.336 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 9' ' ' ILE . . . 89.98 -55.49 3.68 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.534 1.146 . . . . 61.119999999999997 111.041 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.571 HG22 ' CE1' ' A' ' 11' ' ' TYR . 0.6 OUTLIER -39.1 131.96 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 0.746 . . . . 73.510000000000005 109.265 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -103.68 118.94 37.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 73.450000000000003 110.324 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.571 ' CE1' HG22 ' A' ' 9' ' ' ILE . 6.0 m-30 -105.18 119.03 38.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 75.329999999999998 111.026 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.97 161.03 31.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 73.329999999999998 110.283 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.32 124.52 6.57 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.545 1.153 . . . . 73.530000000000001 110.976 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -161.06 -102.11 0.17 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.967 -0.853 . . . . 71.219999999999999 110.967 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 121.3 159.96 10.88 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.022 -0.831 . . . . 65.030000000000001 111.022 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 96.45 -127.22 9.1 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.015 -0.834 . . . . 60.020000000000003 111.015 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -56.28 -171.53 0.13 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.03 -0.828 . . . . 53.130000000000003 111.03 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 119.23 65.86 0.29 Allowed Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.003 -0.839 . . . . 65.349999999999994 111.003 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -159.4 138.81 5.82 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.026 -0.83 . . . . 75.439999999999998 111.026 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 152.0 -143.06 9.97 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.027 -0.829 . . . . 64.030000000000001 111.027 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.0 m -99.48 30.08 3.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 0.743 . . . . 73.349999999999994 109.963 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.03 105.01 17.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 72.439999999999998 109.262 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 68.27 25.0 7.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 75.140000000000001 109.321 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -124.45 -39.38 2.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 73.420000000000002 110.271 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.413 ' O ' ' CZ ' ' A' ' 29' ' ' ARG . . . -99.59 -24.8 14.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 72.430000000000007 109.304 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.684 ' CG ' ' N ' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -97.49 -58.27 2.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 64.209999999999994 111.018 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.684 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -50.44 -21.67 1.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 74.519999999999996 109.329 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.409 ' N ' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -75.09 -44.93 44.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 74.109999999999999 109.3 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 30' ' ' ILE . 4.0 mtt85 -65.47 -46.35 80.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 74.109999999999999 110.27 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.633 HG13 ' CE1' ' A' ' 26' ' ' TYR . 8.8 mm -37.07 -59.99 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 71.239999999999995 109.303 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -40.69 -54.24 2.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 73.030000000000001 109.317 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -46.72 -57.36 4.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 71.420000000000002 110.277 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.87 -54.04 40.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 1.099 . . . . 53.43 109.287 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 10.0 mmt -65.08 -11.55 40.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 74.239999999999995 110.966 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -96.59 103.77 15.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 73.329999999999998 109.293 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.75 129.36 34.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 73.129999999999995 109.318 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.49 1.119 . . . . 75.329999999999998 111.023 -179.972 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.9 ptp180 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.29 -0.263 . . . . 72.530000000000001 110.29 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.16 -78.43 1.77 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.546 1.154 . . . . 74.430000000000007 110.981 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -72.11 146.01 47.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 0.761 . . . . 73.209999999999994 109.346 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.464 ' CB ' ' HB2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -62.39 110.5 1.68 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 75.349999999999994 108.001 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.3 m -123.96 113.1 18.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 70.349999999999994 110.42 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.493 ' O ' ' CD1' ' A' ' 9' ' ' ILE . 62.0 t80 -165.49 125.12 1.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 74.540000000000006 110.997 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.6 t30 74.95 25.1 1.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 73.430000000000007 109.316 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 62.64 40.37 99.08 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.476 1.11 . . . . 72.420000000000002 111.018 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.554 ' CD1' ' C ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -129.21 174.4 12.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.429 0.723 . . . . 74.420000000000002 109.316 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.424 ' N ' HG12 ' A' ' 9' ' ' ILE . 20.9 m -137.7 138.43 39.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 74.329999999999998 110.416 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.51 ' CZ ' HG13 ' A' ' 9' ' ' ILE . 22.9 m-85 -125.2 90.7 3.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 73.200000000000003 110.985 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -67.55 119.79 12.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 73.049999999999997 110.313 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -38.0 -84.46 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.513 1.133 . . . . 74.219999999999999 111.001 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -88.39 85.0 1.47 Allowed Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.023 -0.831 . . . . 73.200000000000003 111.023 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -138.4 -127.45 2.51 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.017 -0.833 . . . . 75.439999999999998 111.017 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -125.22 161.68 19.67 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.003 -0.839 . . . . 52.32 111.003 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 127.15 151.55 7.76 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.021 -0.832 . . . . 61.039999999999999 111.021 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.79 136.0 35.67 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.032 -0.827 . . . . 61.109999999999999 111.032 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 90.94 66.2 1.18 Allowed Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.994 -0.843 . . . . 75.329999999999998 110.994 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.5 -148.8 6.56 Favored Glycine 0 CA--C 1.531 1.058 0 N-CA-C 110.977 -0.849 . . . . 71.540000000000006 110.977 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.411 ' HA ' ' CG ' ' A' ' 24' ' ' GLU . 12.1 m -88.59 43.13 1.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 0.771 . . . . 71.299999999999997 110.01 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.5 79.03 8.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 72.310000000000002 109.263 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 74.95 25.38 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 54.219999999999999 109.322 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.411 ' CG ' ' HA ' ' A' ' 21' ' ' SER . 9.9 pt-20 -83.05 -23.88 32.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 75.340000000000003 110.33 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 27' ' ' ALA . . . -72.27 -67.89 0.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 74.450000000000003 109.34 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.612 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -35.26 -33.29 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 74.349999999999994 111.004 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 25' ' ' ALA . . . -64.87 -74.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 71.530000000000001 109.318 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 27' ' ' ALA . 16.7 ptmt -38.1 -40.93 0.53 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 74.019999999999996 109.32 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 30' ' ' ILE . 15.9 mmt85 -65.68 -49.6 67.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 70.319999999999993 110.331 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.565 HG13 ' CD1' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -39.14 -60.45 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 73.349999999999994 109.324 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.27 -55.73 2.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 75.209999999999994 109.283 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -48.6 -54.07 16.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 72.329999999999998 110.295 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.47 -51.61 58.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 64.230000000000004 109.329 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 7.4 mtm -61.46 -13.07 17.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 72.230000000000004 110.954 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -91.33 -64.94 1.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 75.200000000000003 109.306 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -57.35 -61.08 2.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 75.099999999999994 109.29 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.477 1.111 . . . . 64.109999999999999 111.015 179.998 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.334 -0.247 . . . . 73.239999999999995 110.334 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 148.16 58.15 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.448 1.092 . . . . 73.0 110.999 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -117.05 -175.36 2.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 0.766 . . . . 74.209999999999994 109.318 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.546 ' O ' ' CE3' ' A' ' 4' ' ' TRP . 66.5 p-90 -158.03 108.02 2.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 73.299999999999997 107.97 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 43.8 m -90.97 145.28 24.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 74.019999999999996 110.416 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -125.82 -50.77 1.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 75.230000000000004 110.965 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -106.49 -29.79 9.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 75.129999999999995 109.295 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 159.38 -33.35 0.46 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.482 1.113 . . . . 51.329999999999998 110.974 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.674 ' CG2' ' CD1' ' A' ' 11' ' ' TYR . 7.4 mm -60.91 164.84 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 0.752 . . . . 73.5 109.31 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.515 ' N ' ' CG2' ' A' ' 9' ' ' ILE . 19.2 m -69.94 -52.99 19.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 75.299999999999997 110.412 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.674 ' CD1' ' CG2' ' A' ' 9' ' ' ILE . 6.8 m-30 55.19 32.31 18.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 75.310000000000002 110.971 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.1 -24.98 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.59 1.181 . . . . 64.129999999999995 110.257 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.16 133.76 4.93 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.481 1.113 . . . . 65.329999999999998 110.994 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -174.38 138.4 4.42 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.965 -0.854 . . . . 70.409999999999997 110.965 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 104.5 90.6 2.18 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.988 -0.845 . . . . 72.340000000000003 110.988 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.8 -91.39 1.19 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.031 -0.828 . . . . 74.409999999999997 111.031 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 149.63 153.86 6.2 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.034 -0.826 . . . . 54.130000000000003 111.034 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -178.91 128.08 1.21 Allowed Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.019 -0.832 . . . . 60.140000000000001 111.019 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -42.5 -59.92 2.97 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.97 -0.852 . . . . 75.329999999999998 110.97 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -179.23 -67.43 0.07 OUTLIER Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.991 -0.844 . . . . 74.129999999999995 110.991 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.1 m -105.37 92.29 4.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.757 . . . . 75.329999999999998 109.963 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.38 84.12 2.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 75.319999999999993 109.281 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 70.88 25.03 3.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 64.209999999999994 109.35 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -103.11 -23.96 13.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 75.420000000000002 110.302 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.2 -30.48 71.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.093 . . . . 71.030000000000001 109.324 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.69 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -84.73 -44.51 13.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 72.310000000000002 111.05 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.604 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -69.12 -9.72 54.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 73.109999999999999 109.298 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -64.38 -29.91 70.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 75.420000000000002 109.302 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.436 ' CD ' ' O ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -93.97 -51.86 4.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 74.349999999999994 110.28 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.415 ' C ' ' O ' ' A' ' 29' ' ' ARG . 3.6 mm -39.25 -32.47 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 73.420000000000002 109.337 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.418 ' N ' ' C ' ' A' ' 29' ' ' ARG . . . -47.85 -53.15 16.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 62.439999999999998 109.27 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.543 ' CG ' ' N ' ' A' ' 33' ' ' ALA . 6.3 pt-20 -48.88 -49.7 38.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 74.409999999999997 110.357 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.543 ' N ' ' CG ' ' A' ' 32' ' ' GLU . . . -50.43 -62.14 1.77 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 72.439999999999998 109.311 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.78 57.8 3.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 75.030000000000001 110.984 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -111.58 66.96 0.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 75.530000000000001 109.314 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.21 175.29 12.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.118 . . . . 73.349999999999994 109.311 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.52 1.137 . . . . 61.210000000000001 110.974 179.99 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.616 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.53 0.205 . . . . 73.200000000000003 111.004 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.491 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -77.24 -5.21 48.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 54.229999999999997 109.276 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.457 ' HE3' ' CZ ' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -88.38 -26.85 21.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 61.530000000000001 109.275 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.457 ' CZ ' ' HE3' ' A' ' 28' ' ' LYS . 13.5 mmt180 -94.11 -42.35 9.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.414 1.071 . . . . 73.129999999999995 110.328 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.551 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -38.08 -51.5 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 63.149999999999999 109.315 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.97 -52.6 32.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 73.409999999999997 109.258 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.557 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 3.7 mt-10 -48.02 -57.16 6.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 62.240000000000002 110.302 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.25 -53.84 38.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.103 . . . . 64.230000000000004 109.304 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 20.5 mmt -62.86 -11.61 19.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 74.319999999999993 111.018 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 32' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 60.310000000000002 109.282 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.606 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.542 0.211 . . . . 72.230000000000004 111.053 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.492 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -65.87 -11.56 47.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 61.109999999999999 109.295 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 29' ' ' ARG . 5.9 tptt -81.18 -66.68 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 75.140000000000001 109.294 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 32' ' ' GLU . 3.0 mtt85 -51.57 -42.38 61.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 63.409999999999997 110.275 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.578 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.1 mm -37.8 -60.96 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 74.219999999999999 109.327 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -40.27 -47.27 2.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 74.239999999999995 109.262 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 29' ' ' ARG . 4.6 mt-10 -65.2 -52.19 56.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 64.319999999999993 110.281 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 32' ' ' GLU . . . -39.71 -55.6 1.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 63.420000000000002 109.285 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 16.6 mmt -82.73 -20.14 36.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 65.319999999999993 110.968 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 74.540000000000006 109.302 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.614 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.5 0.19 . . . . 72.439999999999998 110.968 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.505 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -75.51 -6.08 48.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 72.200000000000003 109.287 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -84.4 -36.99 22.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 61.399999999999999 109.317 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 32' ' ' GLU . 29.2 mtt85 -84.03 -43.39 15.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 74.439999999999998 110.344 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.559 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -37.78 -52.06 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 52.43 109.301 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.44 -50.96 5.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 74.310000000000002 109.31 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 29' ' ' ARG . 4.0 mt-10 -49.15 -56.23 9.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 45.409999999999997 110.32 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.2 -48.96 70.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 72.010000000000005 109.292 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 32.2 mtt -63.99 -11.59 30.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 73.219999999999999 110.98 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 75.510000000000005 109.338 179.974 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.606 ' CG ' ' N ' ' A' ' 27' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.532 0.206 . . . . 75.329999999999998 111.015 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.606 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -63.56 -14.07 47.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 40.009999999999998 109.323 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.8 ttpt -87.23 -49.6 7.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 64.040000000000006 109.342 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.465 ' O ' ' C ' ' A' ' 30' ' ' ILE . 4.7 tpt180 -64.12 -46.71 82.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 74.310000000000002 110.286 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.564 HG13 ' CD1' ' A' ' 26' ' ' TYR . 0.9 OUTLIER -35.83 -47.34 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 72.409999999999997 109.285 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -41.45 -57.3 2.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 63.509999999999998 109.312 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.509 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 5.6 mt-10 -45.01 -56.86 4.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 74.239999999999995 110.358 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.51 -56.52 12.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 64.230000000000004 109.336 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.7 mmt -62.13 -12.39 19.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 71.010000000000005 110.992 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 32' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 53.420000000000002 109.298 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.613 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.494 0.187 . . . . 74.010000000000005 110.986 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.494 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -66.1 -11.39 48.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 74.129999999999995 109.311 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -81.59 -67.12 0.81 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 61.25 109.246 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 30' ' ' ILE . 13.1 mtm180 -51.18 -42.26 60.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 74.340000000000003 110.348 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.575 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.1 mm -37.48 -61.58 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 51.039999999999999 109.247 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.52 -53.6 4.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 62.409999999999997 109.325 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.436 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 4.9 mt-10 -47.98 -57.19 6.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 63.409999999999997 110.31 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.82 -54.81 24.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.562 1.163 . . . . 75.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 20.9 mmt -62.29 -12.2 19.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 42.329999999999998 111.015 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 32' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 63.409999999999997 109.3 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.595 ' CG ' ' N ' ' A' ' 27' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.538 0.208 . . . . 72.099999999999994 110.995 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.595 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -65.05 -15.68 62.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 51.32 109.308 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.447 ' CG ' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -85.92 -49.19 8.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 74.519999999999996 109.299 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.455 ' O ' ' C ' ' A' ' 30' ' ' ILE . 0.2 OUTLIER -64.09 -46.02 86.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 73.129999999999995 110.334 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.518 HG13 ' CD1' ' A' ' 26' ' ' TYR . 0.9 OUTLIER -35.75 -61.93 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 63.25 109.322 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -41.45 -52.38 3.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 63.039999999999999 109.335 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 29' ' ' ARG . 5.5 mt-10 -49.98 -57.12 8.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 73.150000000000006 110.315 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.68 -57.29 9.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 72.349999999999994 109.285 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 7.2 mtt -62.6 -12.02 20.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 74.120000000000005 110.975 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 74.120000000000005 109.295 -179.972 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.637 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.535 0.207 . . . . 74.329999999999998 111.027 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.4 -7.31 57.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 73.450000000000003 109.306 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.597 ' CE ' ' CZ ' ' A' ' 29' ' ' ARG . 5.1 tttt -81.93 -40.92 21.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 74.209999999999994 109.319 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.597 ' CZ ' ' CE ' ' A' ' 28' ' ' LYS . 27.7 mmt180 -80.85 -41.56 22.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 74.340000000000003 110.291 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.578 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.1 mm -37.59 -52.22 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 71.420000000000002 109.26 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -48.85 -52.85 21.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 64.430000000000007 109.319 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 29' ' ' ARG . 3.8 mt-10 -47.12 -55.83 7.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 61.420000000000002 110.332 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.66 -47.33 73.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 71.129999999999995 109.26 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.0 mtt -63.41 -11.67 24.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 74.200000000000003 110.974 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 63.520000000000003 109.294 -179.951 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.607 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.544 0.211 . . . . 74.340000000000003 111.019 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.534 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -69.01 -15.6 63.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 41.329999999999998 109.331 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.83 -50.84 7.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 74.510000000000005 109.338 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.453 ' O ' ' C ' ' A' ' 30' ' ' ILE . 19.2 mtm180 -65.77 -41.36 92.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 75.140000000000001 110.276 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.569 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -36.82 -55.2 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 75.439999999999998 109.283 -179.913 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.6 -52.91 16.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 71.030000000000001 109.301 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.594 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 3.9 mt-10 -49.05 -55.94 10.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 75.150000000000006 110.349 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.83 -54.55 27.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 70.340000000000003 109.295 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 8.3 mmt -62.21 -12.23 19.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 64.420000000000002 110.985 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.594 ' HB3' ' O ' ' A' ' 32' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 60.409999999999997 109.255 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.638 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.551 0.215 . . . . 74.310000000000002 111.016 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.437 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -77.2 -7.62 56.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 64.430000000000007 109.291 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.42 ' HD3' ' CZ ' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -82.36 -41.75 19.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.442 1.089 . . . . 74.319999999999993 109.294 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 30' ' ' ILE . 28.3 mmt180 -79.76 -41.46 26.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 74.109999999999999 110.278 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.586 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.1 mm -37.61 -60.73 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 52.140000000000001 109.311 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 30' ' ' ILE . . . -40.51 -55.17 2.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 64.329999999999998 109.283 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -45.49 -57.11 4.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 74.349999999999994 110.323 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.6 -39.23 70.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 71.299999999999997 109.318 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 16.8 mmt -88.17 19.74 3.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 64.420000000000002 111.002 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 72.010000000000005 109.305 -179.965 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.638 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.481 0.181 . . . . 61.310000000000002 110.981 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 30' ' ' ILE . . . -64.58 -73.97 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 62.049999999999997 109.283 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -39.74 -39.33 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 74.030000000000001 109.261 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 30' ' ' ILE . 0.3 OUTLIER -66.7 -48.88 67.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 72.540000000000006 110.287 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.57 HG13 ' CD1' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -39.72 -54.12 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 61.340000000000003 109.305 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.93 -52.06 15.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 71.019999999999996 109.31 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.575 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 3.6 mt-10 -48.97 -56.81 7.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 62.200000000000003 110.286 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.97 -54.53 28.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 64.209999999999994 109.353 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 12.8 mmt -62.32 -12.19 19.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 62.43 111.008 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.575 ' HB3' ' O ' ' A' ' 32' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.165 . . . . 21.140000000000001 109.296 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.628 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.514 0.197 . . . . 64.519999999999996 111.039 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.46 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -66.81 -11.56 55.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 60.100000000000001 109.312 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -80.63 -67.46 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 71.219999999999999 109.337 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 32' ' ' GLU . 29.5 mtt180 -51.05 -42.75 60.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 75.430000000000007 110.293 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.58 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.1 mm -37.02 -34.12 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 71.140000000000001 109.292 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 29' ' ' ARG . . . -54.24 -56.6 16.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 70.25 109.29 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.562 ' CG ' ' N ' ' A' ' 33' ' ' ALA . 7.6 pt-20 -53.45 -49.66 66.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 64.439999999999998 110.318 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.562 ' N ' ' CG ' ' A' ' 32' ' ' GLU . . . -50.48 -56.33 12.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.112 . . . . 62.340000000000003 109.304 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.1 mtt -62.5 -13.14 27.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 72.040000000000006 111.048 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 61.240000000000002 109.272 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.603 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.559 0.219 . . . . 72.430000000000007 111.006 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.569 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -70.59 -7.6 45.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 42.240000000000002 109.344 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.65 -44.51 11.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 72.510000000000005 109.334 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 31' ' ' ALA . 58.8 mtt180 -74.6 -41.9 59.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 53.149999999999999 110.318 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.561 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -37.4 -33.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 75.239999999999995 109.32 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 29' ' ' ARG . . . -49.75 -57.6 6.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 74.349999999999994 109.307 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.552 ' CG ' ' N ' ' A' ' 33' ' ' ALA . 5.9 pt-20 -57.25 -49.57 75.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 72.409999999999997 110.274 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.552 ' N ' ' CG ' ' A' ' 32' ' ' GLU . . . -47.26 -66.23 0.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 75.409999999999997 109.316 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 9.1 mmm -58.86 -14.77 9.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 65.310000000000002 111.0 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.401 ' HB3' ' HA ' ' A' ' 32' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 63.420000000000002 109.305 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.636 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.502 0.191 . . . . 63.530000000000001 110.985 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.01 -0.05 29.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 64.530000000000001 109.259 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -87.8 -42.49 12.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 72.5 109.302 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 32' ' ' GLU . 22.0 mmt180 -79.66 -41.01 27.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 74.209999999999994 110.304 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.551 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.2 mm -37.64 -51.31 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 71.230000000000004 109.333 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.01 -52.14 45.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 64.319999999999993 109.277 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 29' ' ' ARG . 3.2 mt-10 -48.08 -56.05 8.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 63.32 110.309 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.99 -48.59 70.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 65.340000000000003 109.282 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 45.5 mmm -64.23 -11.56 32.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 75.219999999999999 111.028 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 72.200000000000003 109.321 -179.991 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.589 ' CD1' HG13 ' A' ' 30' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.532 0.206 . . . . 72.230000000000004 110.974 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.575 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -66.3 -10.7 45.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 64.140000000000001 109.302 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.448 ' CG ' ' N ' ' A' ' 29' ' ' ARG . 14.9 ptmt -87.74 -52.22 5.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 62.25 109.344 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.452 ' O ' ' C ' ' A' ' 30' ' ' ILE . 46.0 mtt180 -65.3 -42.72 92.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 75.219999999999999 110.29 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.589 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -36.52 -48.64 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 63.109999999999999 109.305 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.5 -55.84 6.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 73.319999999999993 109.333 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.549 ' CG ' ' N ' ' A' ' 33' ' ' ALA . 0.9 OUTLIER -49.97 -49.16 51.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 74.200000000000003 110.268 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.549 ' N ' ' CG ' ' A' ' 32' ' ' GLU . . . -54.61 -55.2 31.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 42.149999999999999 109.333 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -61.65 -12.6 16.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 63.009999999999998 111.005 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 32' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 54.439999999999998 109.307 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.618 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.561 0.219 . . . . 74.030000000000001 111.037 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.481 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -75.29 -7.72 54.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 21.420000000000002 109.299 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.04 -43.75 17.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 75.200000000000003 109.292 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 30' ' ' ILE . 17.5 mmt-85 -78.08 -41.24 36.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 74.219999999999999 110.303 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.586 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.1 mm -37.84 -37.72 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 64.430000000000007 109.323 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.524 ' O ' ' HB2' ' A' ' 35' ' ' ALA . . . -40.33 -56.65 1.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 40.140000000000001 109.271 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.54 ' CG ' ' N ' ' A' ' 33' ' ' ALA . 8.9 pt-20 -50.82 -49.56 58.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.098 . . . . 70.450000000000003 110.31 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.54 ' N ' ' CG ' ' A' ' 32' ' ' GLU . . . -57.72 -70.39 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 53.329999999999998 109.312 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 10.5 ptm -53.08 -18.94 2.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 64.040000000000006 111.029 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.524 ' HB2' ' O ' ' A' ' 31' ' ' ALA . . . . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 74.420000000000002 109.316 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.627 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.467 0.175 . . . . 65.209999999999994 110.953 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.423 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -66.48 -66.95 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 64.420000000000002 109.308 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -40.04 -42.93 1.49 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 73.25 109.324 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 30' ' ' ILE . 7.3 tpt180 -66.17 -51.67 55.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 74.109999999999999 110.274 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.565 HG13 ' CD1' ' A' ' 26' ' ' TYR . 0.8 OUTLIER -37.76 -56.5 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 75.230000000000004 109.302 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -43.19 -52.12 5.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 65.439999999999998 109.3 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 29' ' ' ARG . 3.3 mt-10 -51.13 -54.55 24.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 72.219999999999999 110.284 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.12 -52.55 50.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 74.420000000000002 109.363 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.5 mmt -62.01 -12.57 19.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 64.400000000000006 110.988 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 72.400000000000006 109.273 -179.977 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.662 ' CD1' ' N ' ' A' ' 27' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.499 0.19 . . . . 54.200000000000003 110.98 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.662 ' N ' ' CD1' ' A' ' 26' ' ' TYR . . . -61.66 -15.0 36.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 51.140000000000001 109.288 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.53 -54.4 36.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 52.520000000000003 109.321 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -67.95 -43.13 79.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 60.140000000000001 110.322 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' A' ' 29' ' ' ARG . 18.1 mm -37.5 -54.52 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 72.099999999999994 109.296 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.13 -53.9 9.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 70.450000000000003 109.357 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 29' ' ' ARG . 2.7 mt-10 -44.77 -54.37 6.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 64.230000000000004 110.336 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.55 -51.93 66.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 50.399999999999999 109.313 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 66.7 mmm -62.45 -12.08 19.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 64.340000000000003 110.999 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 72.430000000000007 109.257 -179.971 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.684 ' CG ' ' N ' ' A' ' 27' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.539 0.209 . . . . 64.209999999999994 111.018 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.684 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -50.44 -21.67 1.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 63.149999999999999 109.329 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.409 ' N ' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -75.09 -44.93 44.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 72.230000000000004 109.3 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 30' ' ' ILE . 4.0 mtt85 -65.47 -46.35 80.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 74.109999999999999 110.27 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.633 HG13 ' CE1' ' A' ' 26' ' ' TYR . 8.8 mm -37.07 -59.99 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 63.340000000000003 109.303 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -40.69 -54.24 2.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 71.140000000000001 109.317 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -46.72 -57.36 4.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 64.310000000000002 110.277 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.87 -54.04 40.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 1.099 . . . . 53.43 109.287 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 10.0 mmt -65.08 -11.55 40.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 74.239999999999995 110.966 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 73.329999999999998 109.293 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.612 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.494 0.187 . . . . 74.349999999999994 111.004 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 30' ' ' ILE . . . -64.87 -74.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 44.240000000000002 109.318 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 27' ' ' ALA . 16.7 ptmt -38.1 -40.93 0.53 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 73.239999999999995 109.32 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 30' ' ' ILE . 15.9 mmt85 -65.68 -49.6 67.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 70.319999999999993 110.331 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.565 HG13 ' CD1' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -39.14 -60.45 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 73.349999999999994 109.324 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.27 -55.73 2.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 75.209999999999994 109.283 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.488 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 3.2 mt-10 -48.6 -54.07 16.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 64.530000000000001 110.295 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.47 -51.61 58.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 64.230000000000004 109.329 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 7.4 mtm -61.46 -13.07 17.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 72.230000000000004 110.954 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 32' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 75.109999999999999 109.306 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.69 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.493 0.187 . . . . 63.119999999999997 111.05 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.604 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -69.12 -9.72 54.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 60.119999999999997 109.298 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -64.38 -29.91 70.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 73.310000000000002 109.302 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.436 ' CD ' ' O ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -93.97 -51.86 4.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 74.349999999999994 110.28 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.561 ' N ' HD13 ' A' ' 30' ' ' ILE . 3.6 mm -39.25 -32.47 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 73.420000000000002 109.337 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.418 ' N ' ' C ' ' A' ' 29' ' ' ARG . . . -47.85 -53.15 16.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 54.420000000000002 109.27 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.543 ' CG ' ' N ' ' A' ' 33' ' ' ALA . 6.3 pt-20 -48.88 -49.7 38.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 71.510000000000005 110.357 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.543 ' N ' ' CG ' ' A' ' 32' ' ' GLU . . . -50.43 -62.14 1.77 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 64.239999999999995 109.311 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.78 57.8 3.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 72.129999999999995 110.984 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 75.530000000000001 109.314 179.971 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.301 -0.259 . . . . 60.140000000000001 110.301 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 130.58 170.81 12.78 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.522 1.139 . . . . 61.200000000000003 110.985 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.95 149.92 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.758 . . . . 62.130000000000003 109.293 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 67.3 p-90 -140.46 118.86 12.16 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.007 -1.109 . . . . 71.299999999999997 108.007 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.3 m -69.42 151.96 45.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 73.209999999999994 110.375 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -121.35 -62.94 1.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 74.010000000000005 111.011 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -135.04 58.86 1.75 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 73.329999999999998 109.298 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.83 -61.9 2.66 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.545 1.153 . . . . 72.109999999999999 111.009 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.3 pp -58.99 141.67 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.411 0.712 . . . . 74.129999999999995 109.306 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.6 m -102.02 162.69 12.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 63.299999999999997 110.439 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 10.4 m-30 -111.83 162.98 14.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 73.420000000000002 110.995 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -162.51 113.68 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 74.25 110.336 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 145.14 -67.57 0.42 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 52.43 110.985 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -40.46 114.57 0.53 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.002 -0.839 . . . . 72.230000000000004 111.002 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 105.9 77.95 1.15 Allowed Glycine 0 CA--C 1.531 1.055 0 N-CA-C 110.98 -0.848 . . . . 53.509999999999998 110.98 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.83 -70.68 0.95 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.964 -0.855 . . . . 74.049999999999997 110.964 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 77.74 99.08 0.2 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.964 -0.854 . . . . 73.430000000000007 110.964 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -131.53 -64.72 0.09 OUTLIER Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.025 -0.83 . . . . 55.109999999999999 111.025 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -102.06 -142.7 12.7 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.037 -0.825 . . . . 51.219999999999999 111.037 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.31 161.96 24.92 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 111.013 -0.835 . . . . 64.049999999999997 111.013 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.1 m -94.98 39.64 1.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 0.786 . . . . 62.020000000000003 110.006 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.63 -67.83 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 73.430000000000007 109.331 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.572 ' O ' ' HB3' ' A' ' 27' ' ' ALA . . . -59.16 -22.35 60.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 64.140000000000001 109.311 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -90.86 33.91 0.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 75.310000000000002 110.284 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.47 ' CA ' ' HG2' ' A' ' 28' ' ' LYS . . . -129.5 -45.09 1.21 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 73.129999999999995 109.292 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.616 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -100.04 -41.44 7.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 73.200000000000003 111.004 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.572 ' HB3' ' O ' ' A' ' 23' ' ' ALA . . . -77.24 -5.21 48.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 54.229999999999997 109.276 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.47 ' HG2' ' CA ' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -88.38 -26.85 21.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 61.530000000000001 109.275 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.457 ' CZ ' ' HE3' ' A' ' 28' ' ' LYS . 13.5 mmt180 -94.11 -42.35 9.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.414 1.071 . . . . 73.129999999999995 110.328 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.551 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -38.08 -51.5 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 63.149999999999999 109.315 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.97 -52.6 32.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 73.409999999999997 109.258 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.557 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 3.7 mt-10 -48.02 -57.16 6.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 62.240000000000002 110.302 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.25 -53.84 38.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.103 . . . . 64.230000000000004 109.304 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 20.5 mmt -62.86 -11.61 19.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 74.319999999999993 111.018 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 32' ' ' GLU . . . -87.49 72.65 9.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 60.310000000000002 109.282 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.4 ' HD3' ' N ' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -125.6 -45.6 1.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 70.019999999999996 109.311 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.4 ' N ' ' HD3' ' A' ' 36' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.481 1.113 . . . . 33.310000000000002 111.017 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.5 ptt180 . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 110.249 -0.278 . . . . 73.450000000000003 110.249 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -135.21 -143.24 4.72 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.505 1.128 . . . . 63.149999999999999 111.022 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.2 mmtm -127.76 134.92 49.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 0.768 . . . . 72.209999999999994 109.263 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.401 ' O ' ' HA ' ' A' ' 10' ' ' THR . 0.0 OUTLIER -79.31 94.16 5.43 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.962 -1.125 . . . . 74.25 107.962 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 61.2 m -117.44 135.56 53.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 70.439999999999998 110.391 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.403 ' HB3' ' CE2' ' A' ' 11' ' ' TYR . 22.0 t80 -134.97 -64.94 0.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 62.420000000000002 111.027 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -95.32 -54.68 3.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 73.439999999999998 109.35 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -172.98 -38.63 0.04 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.475 1.109 . . . . 72.340000000000003 111.009 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.3 pp -89.47 138.39 19.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 0.787 . . . . 64.109999999999999 109.315 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.456 HG22 ' H ' ' A' ' 12' ' ' GLU . 19.4 m -62.69 142.59 58.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 65.319999999999993 110.401 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.435 ' O ' ' C ' ' A' ' 12' ' ' GLU . 12.6 m-30 -108.87 16.34 22.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 74.129999999999995 111.009 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.456 ' H ' HG22 ' A' ' 10' ' ' THR . 0.8 OUTLIER -36.24 152.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 72.549999999999997 110.285 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.22 -127.51 8.04 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.539 1.149 . . . . 74.209999999999994 110.976 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.35 90.45 1.2 Allowed Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.031 -0.828 . . . . 65.120000000000005 111.031 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 94.02 -156.11 22.22 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.024 -0.83 . . . . 60.109999999999999 111.024 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.6 135.15 13.3 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.033 -0.827 . . . . 30.199999999999999 111.033 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -169.26 172.05 43.29 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.996 -0.842 . . . . 43.450000000000003 110.996 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -100.92 -96.48 2.24 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.996 -0.842 . . . . 50.020000000000003 110.996 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.05 171.42 28.63 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.039 -0.824 . . . . 43.119999999999997 111.039 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.32 92.68 0.11 Allowed Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.037 -0.825 . . . . 72.120000000000005 111.037 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.7 m -128.54 83.48 2.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 0.749 . . . . 63.509999999999998 110.05 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.87 -67.45 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 64.019999999999996 109.313 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.96 15.77 21.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 73.209999999999994 109.307 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -98.94 -40.05 8.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 64.310000000000002 110.283 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.82 -22.12 45.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 62.049999999999997 109.273 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.606 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -97.43 -44.15 6.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.464 1.102 . . . . 72.230000000000004 111.053 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.492 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -65.87 -11.56 47.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 61.109999999999999 109.295 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 29' ' ' ARG . 5.9 tptt -81.18 -66.68 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 75.140000000000001 109.294 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 32' ' ' GLU . 3.0 mtt85 -51.57 -42.38 61.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 63.409999999999997 110.275 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.578 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.1 mm -37.8 -60.96 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 74.219999999999999 109.327 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -40.27 -47.27 2.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 74.239999999999995 109.262 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 29' ' ' ARG . 4.6 mt-10 -65.2 -52.19 56.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 64.319999999999993 110.281 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 32' ' ' GLU . . . -39.71 -55.6 1.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 63.420000000000002 109.285 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 16.6 mmt -82.73 -20.14 36.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 65.319999999999993 110.968 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . 40.56 39.18 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 74.540000000000006 109.302 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.67 145.17 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 63.409999999999997 109.258 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.511 1.132 . . . . 62.140000000000001 111.006 179.97 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 110.287 -0.264 . . . . 71.019999999999996 110.287 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -75.72 -142.25 1.06 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.474 1.109 . . . . 64.010000000000005 111.018 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -71.88 104.86 3.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 0.745 . . . . 63.030000000000001 109.328 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -45.63 97.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.963 -1.125 . . . . 74.5 107.963 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.502 ' OG1' HG23 ' A' ' 10' ' ' THR . 31.2 m -128.06 113.7 16.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.102 . . . . 65.349999999999994 110.348 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -111.66 106.47 15.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 73.340000000000003 110.973 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.5 t30 49.21 55.0 9.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 75.040000000000006 109.299 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 93.21 -69.0 1.6 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.524 1.14 . . . . 61.310000000000002 111.02 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.59 ' CG2' ' CE1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -40.3 145.39 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 72.0 109.321 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.502 HG23 ' OG1' ' A' ' 5' ' ' THR . 0.2 OUTLIER -121.05 115.24 22.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 74.549999999999997 110.427 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.59 ' CE1' ' CG2' ' A' ' 9' ' ' ILE . 7.8 m-30 -93.22 86.85 5.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 73.450000000000003 111.013 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -65.64 148.67 51.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 73.140000000000001 110.338 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 176.38 152.01 9.33 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.508 1.13 . . . . 73.5 110.952 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -127.38 -68.45 0.15 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.024 -0.83 . . . . 74.219999999999999 111.024 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -96.13 98.64 2.23 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.011 -0.835 . . . . 71.010000000000005 111.011 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.29 153.77 3.5 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.021 -0.832 . . . . 75.299999999999997 111.021 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -130.55 -61.87 0.1 OUTLIER Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.014 -0.834 . . . . 73.040000000000006 111.014 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -83.06 -170.86 46.69 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.985 -0.846 . . . . 61.25 110.985 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 72.93 -141.56 30.57 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.031 -0.828 . . . . 64.409999999999997 111.031 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -79.74 -86.35 0.57 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.026 -0.83 . . . . 73.150000000000006 111.026 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.498 ' O ' ' CB ' ' A' ' 25' ' ' ALA . 0.7 OUTLIER 57.4 51.72 9.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 0.797 . . . . 74.010000000000005 109.981 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.54 -31.62 36.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 73.510000000000005 109.29 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -99.03 -19.49 17.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 74.450000000000003 109.322 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -90.13 -14.93 32.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 73.140000000000001 110.322 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 21' ' ' SER . . . -94.53 15.15 18.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 71.400000000000006 109.325 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.614 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -126.41 -43.34 1.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 72.439999999999998 110.968 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.505 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -75.51 -6.08 48.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 72.200000000000003 109.287 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -84.4 -36.99 22.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 61.399999999999999 109.317 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 32' ' ' GLU . 29.2 mtt85 -84.03 -43.39 15.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 74.439999999999998 110.344 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.559 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -37.78 -52.06 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 52.43 109.301 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.44 -50.96 5.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 74.310000000000002 109.31 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 29' ' ' ARG . 4.0 mt-10 -49.15 -56.23 9.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 45.409999999999997 110.32 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.2 -48.96 70.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 72.010000000000005 109.292 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 32.2 mtt -63.99 -11.59 30.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 73.219999999999999 110.98 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -99.19 151.67 20.74 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 75.510000000000005 109.338 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -40.64 -64.64 0.5 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.137 . . . . 73.439999999999998 109.311 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.479 1.112 . . . . 64.400000000000006 111.041 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.312 -0.255 . . . . 72.329999999999998 110.312 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -179.15 78.18 0.06 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.534 1.147 . . . . 43.439999999999998 110.993 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.3 109.25 16.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 0.794 . . . . 55.240000000000002 109.295 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.416 ' CH2' ' CE2' ' A' ' 11' ' ' TYR . 66.7 p-90 -128.42 128.86 45.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 74.310000000000002 107.992 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.797 HG23 ' O ' ' A' ' 9' ' ' ILE . 82.0 m -86.38 150.82 24.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 64.439999999999998 110.4 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -115.39 -62.89 1.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 74.209999999999994 111.005 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -135.02 75.84 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 74.329999999999998 109.278 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.64 -59.52 4.42 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.524 1.14 . . . . 75.040000000000006 110.997 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.797 ' O ' HG23 ' A' ' 5' ' ' THR . 1.4 pp -61.81 140.57 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 64.549999999999997 109.312 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 67.2 m -104.77 155.52 18.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 74.519999999999996 110.376 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.416 ' CE2' ' CH2' ' A' ' 4' ' ' TRP . 8.1 m-30 -106.01 128.23 53.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.452 1.095 . . . . 65.209999999999994 111.002 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -114.95 151.54 33.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 73.420000000000002 110.296 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 122.04 -108.67 1.32 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.525 1.141 . . . . 72.129999999999995 111.016 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 103.28 134.57 8.34 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.031 -0.828 . . . . 75.219999999999999 111.031 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 131.67 -88.65 0.28 Allowed Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.004 -0.839 . . . . 73.400000000000006 111.004 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -137.49 -161.36 8.89 Favored Glycine 0 CA--C 1.531 1.056 0 N-CA-C 110.994 -0.842 . . . . 71.129999999999995 110.994 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 137.17 145.42 4.95 Favored Glycine 0 CA--C 1.529 0.969 0 N-CA-C 110.991 -0.843 . . . . 74.140000000000001 110.991 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -151.63 170.31 31.13 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.035 -0.826 . . . . 71.340000000000003 111.035 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -137.47 -80.87 0.09 OUTLIER Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.978 -0.849 . . . . 71.219999999999999 110.978 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.07 -178.99 0.02 OUTLIER Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.042 -0.823 . . . . 51.409999999999997 111.042 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.427 ' OG ' ' N ' ' A' ' 24' ' ' GLU . 1.8 p -175.0 151.38 1.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 0.738 . . . . 44.020000000000003 109.989 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.87 -37.09 68.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 61.200000000000003 109.3 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.67 -21.41 38.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 72.239999999999995 109.279 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.457 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 6.7 mm-40 -72.78 -24.19 60.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 72.450000000000003 110.272 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.97 -22.01 59.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 74.299999999999997 109.339 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.606 ' CG ' ' N ' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -93.98 -51.29 4.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 75.329999999999998 111.015 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.606 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -63.56 -14.07 47.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 40.009999999999998 109.323 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.457 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 21.8 ttpt -87.23 -49.6 7.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 64.040000000000006 109.342 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.465 ' O ' ' C ' ' A' ' 30' ' ' ILE . 4.7 tpt180 -64.12 -46.71 82.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 74.310000000000002 110.286 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.564 HG13 ' CD1' ' A' ' 26' ' ' TYR . 0.9 OUTLIER -35.83 -47.34 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 72.409999999999997 109.285 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -41.45 -57.3 2.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 63.509999999999998 109.312 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.509 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 5.6 mt-10 -45.01 -56.86 4.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 74.239999999999995 110.358 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.51 -56.52 12.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 64.230000000000004 109.336 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.7 mmt -62.13 -12.39 19.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 71.010000000000005 110.992 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 32' ' ' GLU . . . -88.99 117.64 28.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 53.420000000000002 109.298 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.46 -53.1 32.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 52.439999999999998 109.268 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 O-C-N 124.548 1.155 . . . . 60.329999999999998 111.008 179.974 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.327 -0.249 . . . . 62.299999999999997 110.327 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 118.73 -163.59 13.13 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 54.409999999999997 111.031 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 5' ' ' THR . 2.9 mtpp -79.75 107.68 12.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 64.519999999999996 109.309 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.478 ' HA ' ' CE3' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -57.84 89.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 65.310000000000002 108.02 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 3' ' ' LYS . 1.7 p -129.4 126.21 38.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 45.009999999999998 110.399 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -128.04 -53.34 1.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 53.43 110.976 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -89.9 -54.33 4.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 61.340000000000003 109.262 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 179.51 -35.83 0.07 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.486 1.116 . . . . 62.439999999999998 111.038 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.442 HD11 ' HE1' ' A' ' 11' ' ' TYR . 1.0 OUTLIER -90.75 143.45 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.779 . . . . 72.040000000000006 109.277 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.7 m -73.69 138.52 44.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 62.0 110.414 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.443 ' O ' ' N ' ' A' ' 13' ' ' GLY . 8.9 m-30 -106.48 28.8 7.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 74.530000000000001 110.969 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 13' ' ' GLY . 0.2 OUTLIER -38.81 -29.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 71.200000000000003 110.269 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -174.01 131.14 1.96 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.131 . . . . 62.299999999999997 110.965 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -142.94 -155.66 6.51 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.988 -0.845 . . . . 63.25 110.988 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -170.8 153.71 21.41 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.013 -0.835 . . . . 55.32 111.013 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -130.74 -146.26 5.86 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.022 -0.831 . . . . 75.140000000000001 111.022 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -115.54 -128.54 4.39 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.001 -0.839 . . . . 45.009999999999998 111.001 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -47.51 -96.27 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.977 -0.849 . . . . 43.43 110.977 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -95.76 -167.15 34.86 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.997 -0.841 . . . . 55.5 110.997 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -177.73 163.38 31.71 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.989 -0.844 . . . . 54.100000000000001 110.989 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.8 p -58.83 -17.92 27.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 0.74 . . . . 74.319999999999993 109.966 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.01 -18.88 61.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 64.109999999999999 109.335 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.471 ' O ' ' CD2' ' A' ' 26' ' ' TYR . . . -108.09 19.84 19.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 74.099999999999994 109.294 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.422 ' CG ' ' N ' ' A' ' 25' ' ' ALA . 9.7 pt-20 -81.77 -42.29 19.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 65.129999999999995 110.268 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.422 ' N ' ' CG ' ' A' ' 24' ' ' GLU . . . -48.37 -28.08 2.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 52.5 109.281 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.613 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -93.44 -43.47 8.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 74.010000000000005 110.986 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.494 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -66.1 -11.39 48.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 74.129999999999995 109.311 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -81.59 -67.12 0.81 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 61.25 109.246 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 30' ' ' ILE . 13.1 mtm180 -51.18 -42.26 60.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 74.340000000000003 110.348 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.575 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.1 mm -37.48 -61.58 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 51.039999999999999 109.247 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.52 -53.6 4.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 62.409999999999997 109.325 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.436 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 4.9 mt-10 -47.98 -57.19 6.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 63.409999999999997 110.31 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.82 -54.81 24.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.562 1.163 . . . . 75.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 20.9 mmt -62.29 -12.2 19.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 42.329999999999998 111.015 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 32' ' ' GLU . . . -92.93 77.47 4.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 63.409999999999997 109.3 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -46.5 166.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 71.040000000000006 109.328 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.494 1.121 . . . . 65.310000000000002 110.995 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.305 -0.258 . . . . 71.120000000000005 110.305 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 108.91 -169.22 13.81 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.466 1.104 . . . . 50.520000000000003 110.957 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.4 pttt -67.55 127.75 33.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 0.771 . . . . 64.319999999999993 109.287 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 67.1 p-90 -120.54 157.74 28.8 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.996 -1.113 . . . . 62.420000000000002 107.996 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.9 p -135.63 140.67 44.73 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 71.140000000000001 110.41 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -110.92 -54.41 2.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 72.420000000000002 111.026 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -72.69 -64.39 0.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 72.140000000000001 109.293 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.652 ' O ' HG23 ' A' ' 9' ' ' ILE . . . 159.85 43.0 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.557 1.16 . . . . 64.510000000000005 110.998 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.652 HG23 ' O ' ' A' ' 8' ' ' GLY . 1.8 pp -157.74 139.08 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 0.774 . . . . 72.129999999999995 109.291 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.0 m -50.11 137.5 17.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 74.209999999999994 110.395 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.53 ' CD1' ' O ' ' A' ' 9' ' ' ILE . 12.5 m-30 -110.32 163.36 13.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 74.140000000000001 110.978 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -134.19 162.21 32.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 71.299999999999997 110.296 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -170.82 171.73 43.94 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.507 1.129 . . . . 73.329999999999998 110.962 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -143.41 174.67 23.83 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.963 -0.855 . . . . 71.319999999999993 110.963 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 127.25 -122.32 4.2 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.995 -0.842 . . . . 61.140000000000001 110.995 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -114.16 -117.01 3.25 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.02 -0.832 . . . . 72.230000000000004 111.02 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.68 -160.66 1.0 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.029 -0.828 . . . . 72.25 111.029 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.53 -124.07 0.16 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.01 -0.836 . . . . 74.209999999999994 111.01 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.25 98.28 2.32 Favored Glycine 0 CA--C 1.529 0.946 0 N-CA-C 111.005 -0.838 . . . . 41.439999999999998 111.005 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 170.4 162.88 23.48 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.996 -0.842 . . . . 74.420000000000002 110.996 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.2 p -54.16 127.0 25.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.553 0.796 . . . . 71.409999999999997 109.997 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -107.11 -50.49 3.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 74.019999999999996 109.337 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.806 ' O ' ' HB3' ' A' ' 27' ' ' ALA . . . -62.17 -21.21 64.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 71.209999999999994 109.273 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -88.32 16.57 6.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 61.310000000000002 110.281 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -131.22 -46.27 1.0 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 71.340000000000003 109.317 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.595 ' CG ' ' N ' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -92.21 -50.0 5.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 72.099999999999994 110.995 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.806 ' HB3' ' O ' ' A' ' 23' ' ' ALA . . . -65.05 -15.68 62.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 51.32 109.308 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.447 ' CG ' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -85.92 -49.19 8.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 74.519999999999996 109.299 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.455 ' O ' ' C ' ' A' ' 30' ' ' ILE . 0.2 OUTLIER -64.09 -46.02 86.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 73.129999999999995 110.334 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.518 HG13 ' CD1' ' A' ' 26' ' ' TYR . 0.9 OUTLIER -35.75 -61.93 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 63.25 109.322 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -41.45 -52.38 3.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 63.039999999999999 109.335 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 29' ' ' ARG . 5.5 mt-10 -49.98 -57.12 8.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 73.150000000000006 110.315 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.68 -57.29 9.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 72.349999999999994 109.285 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 7.2 mtt -62.6 -12.02 20.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 74.120000000000005 110.975 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -98.38 133.85 42.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 74.120000000000005 109.295 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.81 111.02 18.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 73.140000000000001 109.276 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.456 1.097 . . . . 64.400000000000006 110.974 179.992 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.315 -0.254 . . . . 71.430000000000007 110.315 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -154.12 80.18 0.19 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.446 1.091 . . . . 75.319999999999993 110.994 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.0 ptpt -137.26 146.69 45.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 0.785 . . . . 75.329999999999998 109.268 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.506 ' CE3' ' O ' ' A' ' 4' ' ' TRP . 64.9 p-90 -162.22 109.83 1.36 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.993 -1.114 . . . . 65.109999999999999 107.993 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.878 HG22 ' O ' ' A' ' 9' ' ' ILE . 59.0 p -92.57 102.08 14.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 74.25 110.375 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -57.88 -45.28 86.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 73.129999999999995 110.959 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -118.27 -60.57 1.77 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 74.120000000000005 109.339 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -172.36 32.29 0.12 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 52.450000000000003 111.019 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.878 ' O ' HG22 ' A' ' 5' ' ' THR . 0.6 OUTLIER -122.01 149.45 25.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 0.742 . . . . 71.0 109.295 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.784 ' H ' HD12 ' A' ' 9' ' ' ILE . 80.3 m -47.36 -63.55 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 51.229999999999997 110.384 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.578 ' CD1' HG13 ' A' ' 9' ' ' ILE . 4.1 m-30 55.2 31.21 16.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 74.5 110.981 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.48 ' HG2' HG22 ' A' ' 10' ' ' THR . 4.0 pt-20 -72.52 136.26 45.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 65.409999999999997 110.335 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 145.47 -79.61 0.23 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.468 1.105 . . . . 55.130000000000003 111.023 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 145.91 -168.32 27.57 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.994 -0.842 . . . . 63.219999999999999 110.994 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 151.79 -148.62 19.82 Favored Glycine 0 CA--C 1.531 1.031 0 N-CA-C 110.972 -0.851 . . . . 74.239999999999995 110.972 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 107.41 -75.32 0.22 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.029 -0.828 . . . . 71.349999999999994 111.029 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 137.2 162.58 9.39 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.983 -0.847 . . . . 35.020000000000003 110.983 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.25 72.56 1.15 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.04 -0.824 . . . . 72.420000000000002 111.04 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.61 -153.87 19.63 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.961 -0.856 . . . . 61.219999999999999 110.961 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 22' ' ' ALA . . . 135.33 159.87 8.77 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.986 -0.846 . . . . 71.109999999999999 110.986 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.436 ' CB ' ' CD ' ' A' ' 24' ' ' GLU . 13.2 p -39.08 96.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.769 . . . . 74.040000000000006 109.992 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 20' ' ' GLY . . . -125.26 -44.08 1.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 71.109999999999999 109.341 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.454 ' HB1' ' HD2' ' A' ' 26' ' ' TYR . . . -119.77 17.83 12.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 73.430000000000007 109.316 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.436 ' CD ' ' CB ' ' A' ' 21' ' ' SER . 13.0 pt-20 -74.06 -28.85 61.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 63.149999999999999 110.276 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.53 -36.59 76.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 63.240000000000002 109.281 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.637 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -81.84 -37.09 27.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 74.329999999999998 111.027 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.4 -7.31 57.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 73.450000000000003 109.306 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.597 ' CE ' ' CZ ' ' A' ' 29' ' ' ARG . 5.1 tttt -81.93 -40.92 21.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 74.209999999999994 109.319 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.597 ' CZ ' ' CE ' ' A' ' 28' ' ' LYS . 27.7 mmt180 -80.85 -41.56 22.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 74.340000000000003 110.291 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.578 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.1 mm -37.59 -52.22 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 71.420000000000002 109.26 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -48.85 -52.85 21.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 64.430000000000007 109.319 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 29' ' ' ARG . 3.8 mt-10 -47.12 -55.83 7.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 61.420000000000002 110.332 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.66 -47.33 73.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 71.129999999999995 109.26 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.0 mtt -63.41 -11.67 24.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 74.200000000000003 110.974 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -105.63 135.28 47.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 63.520000000000003 109.294 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.63 145.11 26.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 74.420000000000002 109.305 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.499 1.125 . . . . 63.210000000000001 111.006 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.334 -0.247 . . . . 73.040000000000006 110.334 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 104.87 -175.33 22.22 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.535 1.147 . . . . 74.340000000000003 111.047 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -52.64 116.52 2.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 0.738 . . . . 73.420000000000002 109.299 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.498 ' HA ' ' CE3' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -62.98 83.09 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.953 -1.129 . . . . 70.120000000000005 107.953 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.608 HG23 HG22 ' A' ' 10' ' ' THR . 1.1 p -115.84 124.07 49.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.1 . . . . 74.120000000000005 110.398 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -124.09 -59.91 1.46 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 72.040000000000006 111.028 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.82 -52.45 5.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 53.329999999999998 109.239 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -178.54 -36.71 0.06 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.566 1.166 . . . . 53.350000000000001 111.031 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -92.94 143.23 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 0.753 . . . . 75.109999999999999 109.271 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.608 HG22 HG23 ' A' ' 5' ' ' THR . 1.4 p -71.32 141.85 50.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 63.350000000000001 110.382 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.419 ' O ' ' C ' ' A' ' 12' ' ' GLU . 9.1 m-30 -108.73 5.89 25.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 73.040000000000006 111.024 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -37.43 150.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 64.239999999999995 110.312 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -176.82 116.4 0.55 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.513 1.133 . . . . 64.230000000000004 110.975 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -111.63 -65.68 0.51 Allowed Glycine 0 CA--C 1.531 1.046 0 N-CA-C 111.015 -0.834 . . . . 72.230000000000004 111.015 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 119.75 -88.99 0.44 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.012 -0.835 . . . . 62.130000000000003 111.012 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -41.99 -71.76 0.34 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.995 -0.842 . . . . 74.230000000000004 110.995 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.08 119.02 11.01 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.01 -0.836 . . . . 33.219999999999999 111.01 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.03 124.24 5.2 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.98 -0.848 . . . . 60.020000000000003 110.98 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 158.46 179.91 33.66 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.974 -0.85 . . . . 71.140000000000001 110.974 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -161.11 94.22 0.13 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.003 -0.839 . . . . 50.219999999999999 111.003 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.411 ' HA ' ' CD ' ' A' ' 24' ' ' GLU . 56.2 m -119.87 36.08 4.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 0.775 . . . . 60.020000000000003 109.998 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.565 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -94.89 105.62 17.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 64.109999999999999 109.275 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.565 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 74.95 28.59 1.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 73.239999999999995 109.293 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.412 ' CG ' ' N ' ' A' ' 25' ' ' ALA . 11.1 pt-20 -94.81 -41.49 9.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.483 1.115 . . . . 70.129999999999995 110.285 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.412 ' N ' ' CG ' ' A' ' 24' ' ' GLU . . . -114.05 -51.2 2.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 41.43 109.298 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.607 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -52.96 -45.81 67.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 74.340000000000003 111.019 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.534 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -69.01 -15.6 63.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 41.329999999999998 109.331 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.83 -50.84 7.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 74.510000000000005 109.338 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.453 ' O ' ' C ' ' A' ' 30' ' ' ILE . 19.2 mtm180 -65.77 -41.36 92.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 75.140000000000001 110.276 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.569 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -36.82 -55.2 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 75.439999999999998 109.283 -179.913 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.6 -52.91 16.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 71.030000000000001 109.301 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.594 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 3.9 mt-10 -49.05 -55.94 10.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 75.150000000000006 110.349 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.83 -54.55 27.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 70.340000000000003 109.295 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 8.3 mmt -62.21 -12.23 19.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 64.420000000000002 110.985 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.594 ' HB3' ' O ' ' A' ' 32' ' ' GLU . . . -85.76 -59.23 2.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 60.409999999999997 109.255 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.42 121.22 14.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 73.340000000000003 109.334 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.531 1.144 . . . . 42.210000000000001 111.007 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.331 -0.248 . . . . 74.5 110.331 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -118.55 97.26 0.7 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 61.0 111.016 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.61 140.62 30.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 0.74 . . . . 63.43 109.299 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.423 ' O ' ' CE3' ' A' ' 4' ' ' TRP . 62.3 p-90 -142.71 117.71 10.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 70.239999999999995 107.991 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 54.7 m -77.16 149.3 35.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 34.119999999999997 110.38 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -123.52 -56.23 1.71 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 75.439999999999998 110.956 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -125.91 47.81 2.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 52.009999999999998 109.298 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.0 -45.6 3.5 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.497 1.123 . . . . 24.41 110.965 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.437 HD13 ' HA ' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -60.31 136.21 24.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.55 0.794 . . . . 52.049999999999997 109.272 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.7 m -83.97 127.02 33.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 73.530000000000001 110.425 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.0 m-30 -96.66 115.32 27.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 74.120000000000005 110.992 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -110.52 138.57 46.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 71.150000000000006 110.29 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.43 -178.72 51.44 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 65.010000000000005 111.005 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 57.91 85.78 0.03 OUTLIER Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.02 -0.832 . . . . 73.140000000000001 111.02 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -101.97 -80.88 1.52 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.996 -0.842 . . . . 54.200000000000003 110.996 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -103.56 114.06 4.69 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 111.022 -0.831 . . . . 62.409999999999997 111.022 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.32 -171.16 25.23 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.983 -0.847 . . . . 34.539999999999999 110.983 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 175.85 -108.8 0.27 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.962 -0.855 . . . . 60.329999999999998 110.962 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 173.66 150.34 7.48 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.973 -0.851 . . . . 74.439999999999998 110.973 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 58.57 179.41 1.11 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.996 -0.841 . . . . 73.209999999999994 110.996 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.39 38.28 0.93 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 0.765 . . . . 74.310000000000002 110.003 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.76 -20.19 43.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 53.549999999999997 109.289 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.422 ' O ' ' CD2' ' A' ' 26' ' ' TYR . . . -113.68 18.7 17.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 60.140000000000001 109.263 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 28' ' ' LYS . 9.6 pt-20 -83.24 -31.51 26.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 70.409999999999997 110.321 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.05 -34.42 68.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 72.239999999999995 109.312 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.638 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -82.9 -38.84 22.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 74.310000000000002 111.016 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.437 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -77.2 -7.62 56.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 64.430000000000007 109.291 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.42 ' HD3' ' CZ ' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -82.36 -41.75 19.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.442 1.089 . . . . 74.319999999999993 109.294 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 30' ' ' ILE . 28.3 mmt180 -79.76 -41.46 26.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 74.109999999999999 110.278 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.586 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.1 mm -37.61 -60.73 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 52.140000000000001 109.311 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 30' ' ' ILE . . . -40.51 -55.17 2.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 64.329999999999998 109.283 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -45.49 -57.11 4.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 74.349999999999994 110.323 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.6 -39.23 70.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 71.299999999999997 109.318 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 16.8 mmt -88.17 19.74 3.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 64.420000000000002 111.002 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -131.84 70.85 1.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 72.010000000000005 109.305 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.63 -20.89 13.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 73.200000000000003 109.295 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 O-C-N 124.471 1.107 . . . . 43.210000000000001 110.989 -179.967 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.299 -0.26 . . . . 62.229999999999997 110.299 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 116.97 105.56 2.39 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.506 1.129 . . . . 54.109999999999999 110.988 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.436 ' HG3' ' CB ' ' A' ' 12' ' ' GLU . 4.1 mmtt -91.44 176.39 6.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 0.771 . . . . 64.230000000000004 109.294 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.58 ' CE3' ' O ' ' A' ' 4' ' ' TRP . 37.1 p-90 -170.77 115.08 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.981 -1.118 . . . . 75.120000000000005 107.981 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.944 HG23 ' O ' ' A' ' 9' ' ' ILE . 12.7 m -62.2 146.88 49.52 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 65.219999999999999 110.405 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.544 ' CG ' ' O ' ' A' ' 6' ' ' TYR . 6.1 t80 -127.08 69.0 1.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 73.420000000000002 111.031 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.406 ' CB ' ' O ' ' A' ' 6' ' ' TYR . 4.1 t-20 74.95 43.57 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 34.520000000000003 109.319 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.45 -43.08 1.75 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.481 1.113 . . . . 65.209999999999994 110.972 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.944 ' O ' HG23 ' A' ' 5' ' ' THR . 0.2 OUTLIER -46.06 170.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 74.349999999999994 109.271 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.726 HG22 ' HB3' ' A' ' 12' ' ' GLU . 12.2 m -122.17 -39.68 2.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 75.430000000000007 110.391 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.743 ' CE1' HG21 ' A' ' 9' ' ' ILE . 10.8 m-30 47.95 33.18 3.21 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.517 1.136 . . . . 73.150000000000006 110.993 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.726 ' HB3' HG22 ' A' ' 10' ' ' THR . 24.1 tt0 -102.26 -18.48 15.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 62.140000000000001 110.325 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.3 103.86 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.504 1.128 . . . . 42.009999999999998 111.013 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 47.58 -148.12 3.63 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.968 -0.853 . . . . 52.140000000000001 110.968 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.29 -71.89 1.07 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.983 -0.847 . . . . 74.209999999999994 110.983 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -150.2 -73.57 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.033 -0.827 . . . . 73.200000000000003 111.033 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -115.27 -70.84 0.49 Allowed Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.017 -0.833 . . . . 64.409999999999997 111.017 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -152.27 -168.97 17.13 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.024 -0.83 . . . . 74.420000000000002 111.024 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.93 104.27 3.14 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.976 -0.849 . . . . 72.239999999999995 110.976 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -111.32 -81.78 1.2 Allowed Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.968 -0.853 . . . . 65.239999999999995 110.968 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.18 84.2 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 0.777 . . . . 63.329999999999998 109.965 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.637 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -66.88 -56.17 11.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 63.409999999999997 109.274 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 26' ' ' TYR . . . -52.29 -61.73 2.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 73.340000000000003 109.285 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -42.98 -39.25 2.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 52.439999999999998 110.303 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.637 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . -55.3 -43.97 75.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 75.099999999999994 109.285 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.638 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -67.51 -36.9 81.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 61.310000000000002 110.981 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 30' ' ' ILE . . . -64.58 -73.97 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 62.049999999999997 109.283 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -39.74 -39.33 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 74.030000000000001 109.261 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 30' ' ' ILE . 0.3 OUTLIER -66.7 -48.88 67.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 72.540000000000006 110.287 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.57 HG13 ' CD1' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -39.72 -54.12 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 61.340000000000003 109.305 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.93 -52.06 15.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 71.019999999999996 109.31 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.575 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 3.6 mt-10 -48.97 -56.81 7.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 62.200000000000003 110.286 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.97 -54.53 28.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 64.209999999999994 109.353 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 12.8 mmt -62.32 -12.19 19.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 62.43 111.008 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.575 ' HB3' ' O ' ' A' ' 32' ' ' GLU . . . -85.62 128.81 34.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.165 . . . . 21.140000000000001 109.296 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.5 mttt 67.21 41.66 2.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 60.119999999999997 109.261 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.492 1.12 . . . . 73.430000000000007 111.004 179.981 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.292 -0.262 . . . . 71.010000000000005 110.292 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -97.05 -64.25 0.91 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.499 1.124 . . . . 65.319999999999993 110.985 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.95 139.44 57.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 73.230000000000004 109.329 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.56 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 67.8 p-90 -133.34 115.51 14.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 62.539999999999999 108.034 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.3 p -59.36 123.76 17.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 55.409999999999997 110.438 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.56 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 8.0 t80 -102.74 -66.96 0.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 75.319999999999993 110.996 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.542 ' HB2' ' CE2' ' A' ' 6' ' ' TYR . 6.3 t-20 -132.26 63.68 1.62 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 73.030000000000001 109.318 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 64.02 31.34 80.48 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.486 1.116 . . . . 74.150000000000006 110.971 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.403 HD11 ' HD2' ' A' ' 6' ' ' TYR . 1.5 pp -142.38 141.64 28.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.769 . . . . 73.209999999999994 109.299 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 26.4 m -101.33 151.96 21.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 75.540000000000006 110.4 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.3 m-30 -103.18 33.1 3.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 61.530000000000001 111.002 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -90.89 32.62 0.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 75.510000000000005 110.349 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.19 -75.09 0.84 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.502 1.126 . . . . 64.409999999999997 110.955 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 130.13 114.16 1.67 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.003 -0.839 . . . . 41.420000000000002 111.003 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.66 140.99 8.02 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.012 -0.835 . . . . 54.200000000000003 111.012 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -154.17 171.1 32.75 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.995 -0.842 . . . . 72.120000000000005 110.995 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 59.69 -131.58 50.91 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.989 -0.844 . . . . 54.420000000000002 110.989 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -164.6 -145.35 4.36 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.987 -0.845 . . . . 43.340000000000003 110.987 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -92.02 169.93 32.69 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 111.043 -0.823 . . . . 73.25 111.043 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 43.84 -106.48 0.1 OUTLIER Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.002 -0.839 . . . . 52.420000000000002 111.002 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.3 m -72.32 71.21 0.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 0.746 . . . . 73.200000000000003 109.956 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.65 92.39 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 52.149999999999999 109.281 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 55.11 24.97 6.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 62.549999999999997 109.245 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -95.13 19.44 10.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 75.040000000000006 110.309 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -117.03 -39.05 3.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 51.340000000000003 109.319 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.628 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -85.59 -42.42 14.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 64.519999999999996 111.039 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.46 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -66.81 -11.56 55.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 60.100000000000001 109.312 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -80.63 -67.46 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 71.219999999999999 109.337 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 32' ' ' GLU . 29.5 mtt180 -51.05 -42.75 60.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 75.430000000000007 110.293 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.58 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.1 mm -37.02 -34.12 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 71.140000000000001 109.292 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 29' ' ' ARG . . . -54.24 -56.6 16.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 70.25 109.29 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.562 ' CG ' ' N ' ' A' ' 33' ' ' ALA . 7.6 pt-20 -53.45 -49.66 66.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 64.439999999999998 110.318 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.562 ' N ' ' CG ' ' A' ' 32' ' ' GLU . . . -50.48 -56.33 12.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.112 . . . . 62.340000000000003 109.304 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.1 mtt -62.5 -13.14 27.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 72.040000000000006 111.048 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -102.54 159.11 15.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 61.240000000000002 109.272 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.9 mtmm -94.42 165.97 12.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 73.109999999999999 109.301 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.462 1.101 . . . . 61.450000000000003 111.041 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.335 -0.246 . . . . 71.310000000000002 110.335 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -121.3 -101.0 1.73 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.448 1.093 . . . . 72.549999999999997 111.008 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -89.28 124.65 34.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.765 . . . . 74.299999999999997 109.275 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.35 63.41 2.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 63.509999999999998 107.996 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.5 m -92.79 123.95 36.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.153 . . . . 73.299999999999997 110.448 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.528 ' O ' ' CG ' ' A' ' 6' ' ' TYR . 23.8 t80 -125.81 77.3 1.65 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 62.530000000000001 110.991 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 50.1 m-20 40.84 54.99 3.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.103 . . . . 73.109999999999999 109.357 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 170.47 -127.09 1.41 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.444 1.09 . . . . 72.150000000000006 110.965 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.4 pp -96.84 135.39 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 74.420000000000002 109.325 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 53.2 m -62.44 148.77 44.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 55.450000000000003 110.38 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.7 m-30 -113.32 90.44 3.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 73.409999999999997 111.017 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.65 145.09 16.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 73.030000000000001 110.273 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -120.3 -146.61 7.69 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.501 1.126 . . . . 74.25 111.05 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -86.78 112.13 3.74 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.996 -0.842 . . . . 65.109999999999999 110.996 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -174.31 -141.56 3.65 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.011 -0.836 . . . . 70.349999999999994 111.011 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.09 -104.49 0.02 OUTLIER Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.028 -0.829 . . . . 74.120000000000005 111.028 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -142.59 -71.88 0.03 OUTLIER Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.99 -0.844 . . . . 75.430000000000007 110.99 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 124.85 128.05 3.21 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.041 -0.824 . . . . 71.140000000000001 111.041 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 162.19 -172.96 38.43 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.008 -0.837 . . . . 43.130000000000003 111.008 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 151.01 82.2 0.04 OUTLIER Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.023 -0.831 . . . . 63.210000000000001 111.023 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.1 p -96.23 96.94 9.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 0.753 . . . . 71.349999999999994 110.012 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.04 -64.29 1.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 62.219999999999999 109.288 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -101.67 15.7 28.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 73.340000000000003 109.332 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -104.63 -17.14 14.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 63.340000000000003 110.303 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.471 ' HA ' ' CD ' ' A' ' 28' ' ' LYS . . . -104.16 15.03 29.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 51.329999999999998 109.277 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.603 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -113.7 -48.42 2.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 72.430000000000007 111.006 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.569 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -70.59 -7.6 45.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 42.240000000000002 109.344 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.471 ' CD ' ' HA ' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -87.65 -44.51 11.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 72.510000000000005 109.334 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 31' ' ' ALA . 58.8 mtt180 -74.6 -41.9 59.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 53.149999999999999 110.318 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.561 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -37.4 -33.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 75.239999999999995 109.32 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 29' ' ' ARG . . . -49.75 -57.6 6.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 74.349999999999994 109.307 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.552 ' CG ' ' N ' ' A' ' 33' ' ' ALA . 5.9 pt-20 -57.25 -49.57 75.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 72.409999999999997 110.274 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.552 ' N ' ' CG ' ' A' ' 32' ' ' GLU . . . -47.26 -66.23 0.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 75.409999999999997 109.316 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 9.1 mmm -58.86 -14.77 9.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 65.310000000000002 111.0 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.401 ' HB3' ' HA ' ' A' ' 32' ' ' GLU . . . -91.53 138.92 31.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 63.420000000000002 109.305 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 35' ' ' ALA . 35.2 mtmm -40.48 155.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 72.420000000000002 109.263 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 44.219999999999999 111.007 179.978 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.273 -0.269 . . . . 62.549999999999997 110.273 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 154.63 -63.23 0.35 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.483 1.114 . . . . 51.409999999999997 111.012 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -100.46 124.03 45.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 0.736 . . . . 73.400000000000006 109.311 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.487 ' CB ' ' HB2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -48.66 -76.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.995 -1.113 . . . . 75.5 107.995 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.438 ' OG1' HG22 ' A' ' 10' ' ' THR . 4.6 m 53.21 48.21 22.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 52.109999999999999 110.366 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -66.89 -65.37 0.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 70.540000000000006 110.98 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -102.56 38.25 1.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 63.009999999999998 109.317 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.48 -33.4 4.36 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.498 1.124 . . . . 22.32 110.998 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.447 ' HA ' HD13 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -82.19 142.16 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 63.439999999999998 109.253 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.438 HG22 ' OG1' ' A' ' 5' ' ' THR . 1.0 OUTLIER -90.48 131.58 36.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 71.140000000000001 110.391 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.487 ' HB2' ' CB ' ' A' ' 4' ' ' TRP . 8.3 m-30 -100.93 79.14 2.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 74.129999999999995 111.031 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -65.29 -21.81 66.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 62.299999999999997 110.34 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 150.11 151.93 5.66 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.447 1.092 . . . . 34.439999999999998 111.026 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.17 -118.17 4.57 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.041 -0.824 . . . . 72.340000000000003 111.041 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 38.88 92.14 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.995 -0.842 . . . . 74.319999999999993 110.995 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.28 -126.78 8.88 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 111.007 -0.837 . . . . 72.230000000000004 111.007 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 138.37 131.45 2.89 Favored Glycine 0 CA--C 1.531 1.058 0 N-CA-C 110.968 -0.853 . . . . 74.049999999999997 110.968 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 122.2 -150.65 16.96 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.986 -0.846 . . . . 73.430000000000007 110.986 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.19 -151.82 0.34 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.018 -0.833 . . . . 62.399999999999999 111.018 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.0 66.31 0.58 Allowed Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.016 -0.834 . . . . 71.510000000000005 111.016 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.5 p 49.47 29.48 2.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 0.768 . . . . 74.140000000000001 110.012 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.57 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -88.24 96.27 10.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 73.409999999999997 109.253 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.842 ' HB1' ' CD2' ' A' ' 26' ' ' TYR . . . 75.02 26.44 1.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 61.149999999999999 109.287 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 28' ' ' LYS . 2.1 pt-20 -63.18 -33.79 76.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 74.519999999999996 110.307 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.98 -54.15 42.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 64.150000000000006 109.297 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.842 ' CD2' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -74.89 -33.67 62.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 63.530000000000001 110.985 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.01 -0.05 29.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 64.530000000000001 109.259 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 24' ' ' GLU . 2.8 tttp -87.8 -42.49 12.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 72.5 109.302 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 32' ' ' GLU . 22.0 mmt180 -79.66 -41.01 27.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 74.209999999999994 110.304 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.551 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.2 mm -37.64 -51.31 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 71.230000000000004 109.333 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.01 -52.14 45.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 64.319999999999993 109.277 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 29' ' ' ARG . 3.2 mt-10 -48.08 -56.05 8.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 63.32 110.309 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.99 -48.59 70.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 65.340000000000003 109.282 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 45.5 mmm -64.23 -11.56 32.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 75.219999999999999 111.028 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -100.53 97.34 8.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 72.200000000000003 109.321 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -45.7 -65.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 72.129999999999995 109.284 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.509 1.131 . . . . 63.520000000000003 111.028 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.282 -0.266 . . . . 71.439999999999998 110.282 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 100.35 -75.8 0.43 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.537 1.148 . . . . 45.130000000000003 110.956 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 5' ' ' THR . 0.1 OUTLIER -65.67 106.27 1.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 0.78 . . . . 73.329999999999998 109.274 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.434 ' O ' ' HA ' ' A' ' 10' ' ' THR . 0.0 OUTLIER -55.35 91.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.98 -1.119 . . . . 65.010000000000005 107.98 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 3' ' ' LYS . 63.8 m -122.25 134.61 54.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 74.430000000000007 110.401 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.536 ' O ' ' CG ' ' A' ' 6' ' ' TYR . 24.1 t80 -131.68 66.73 1.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 74.439999999999998 110.969 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 43.41 54.08 5.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 71.430000000000007 109.286 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -179.5 -122.37 0.77 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.517 1.135 . . . . 63.509999999999998 110.985 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.402 ' O ' ' CE1' ' A' ' 11' ' ' TYR . 1.5 pp -101.39 133.98 43.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.473 0.749 . . . . 73.519999999999996 109.324 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.434 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 52.8 m -65.15 150.08 48.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 64.099999999999994 110.408 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.402 ' CE1' ' O ' ' A' ' 9' ' ' ILE . 16.8 m-30 -112.91 85.14 2.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 75.340000000000003 111.008 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -66.79 -26.02 66.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 74.219999999999999 110.308 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 58.04 113.52 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.483 1.114 . . . . 54.119999999999997 111.011 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 102.93 -131.14 10.5 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.02 -0.832 . . . . 54.439999999999998 111.02 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -152.6 -66.71 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.01 -0.836 . . . . 42.409999999999997 111.01 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -42.12 154.86 0.12 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.992 -0.843 . . . . 61.409999999999997 110.992 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 137.33 160.73 8.68 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.002 -0.839 . . . . 64.310000000000002 111.002 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 73.85 134.46 0.28 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.023 -0.831 . . . . 62.119999999999997 111.023 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 164.56 -66.42 0.22 Allowed Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.027 -0.829 . . . . 42.420000000000002 111.027 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -125.57 -155.91 9.16 Favored Glycine 0 CA--C 1.529 0.947 0 N-CA-C 111.011 -0.835 . . . . 52.119999999999997 111.011 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.6 m -96.74 104.35 16.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 71.439999999999998 110.011 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.55 -63.95 1.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 73.230000000000004 109.275 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -108.78 18.94 20.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 63.240000000000002 109.291 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -112.63 155.18 24.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 65.439999999999998 110.284 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 60.52 24.95 14.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 75.299999999999997 109.3 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.589 ' CD1' HG13 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -133.41 -50.38 0.86 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 72.230000000000004 110.974 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.575 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -66.3 -10.7 45.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 64.140000000000001 109.302 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.448 ' CG ' ' N ' ' A' ' 29' ' ' ARG . 14.9 ptmt -87.74 -52.22 5.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 62.25 109.344 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.452 ' O ' ' C ' ' A' ' 30' ' ' ILE . 46.0 mtt180 -65.3 -42.72 92.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 75.219999999999999 110.29 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.589 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -36.52 -48.64 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 63.109999999999999 109.305 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.5 -55.84 6.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 73.319999999999993 109.333 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.549 ' CG ' ' N ' ' A' ' 33' ' ' ALA . 0.9 OUTLIER -49.97 -49.16 51.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 74.200000000000003 110.268 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.549 ' N ' ' CG ' ' A' ' 32' ' ' GLU . . . -54.61 -55.2 31.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 42.149999999999999 109.333 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -61.65 -12.6 16.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 63.009999999999998 111.005 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 32' ' ' GLU . . . -88.48 77.27 8.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 54.439999999999998 109.307 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.99 139.75 15.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 74.140000000000001 109.285 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.505 1.128 . . . . 65.400000000000006 111.019 179.991 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.304 -0.258 . . . . 74.340000000000003 110.304 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -131.51 -55.97 0.09 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.476 1.11 . . . . 64.430000000000007 110.987 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.63 115.78 0.61 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 0.794 . . . . 74.310000000000002 109.279 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.586 ' CE3' ' O ' ' A' ' 4' ' ' TRP . 59.7 p-90 -108.29 107.25 17.77 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.569 1.168 . . . . 74.209999999999994 107.977 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.75 141.84 55.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 72.120000000000005 110.38 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -123.29 88.92 3.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 75.040000000000006 111.02 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 64.74 48.83 2.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 25.43 109.309 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 9' ' ' ILE . . . 97.01 -58.7 1.2 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.533 1.146 . . . . 70.109999999999999 111.047 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.614 ' CG2' ' CE1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -39.58 133.49 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.482 0.754 . . . . 65.230000000000004 109.318 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -104.57 119.18 38.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.137 . . . . 64.299999999999997 110.428 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.614 ' CE1' ' CG2' ' A' ' 9' ' ' ILE . 4.1 m-30 -103.7 91.82 4.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 65.439999999999998 111.007 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.499 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 6.8 tt0 -90.97 32.99 0.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 62.420000000000002 110.283 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.28 -139.99 30.18 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.5 1.125 . . . . 63.549999999999997 110.983 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 48.27 98.79 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.929 -0.869 . . . . 73.030000000000001 110.929 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 134.82 85.64 0.22 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.99 -0.844 . . . . 50.130000000000003 110.99 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -121.22 111.99 2.0 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.999 -0.84 . . . . 14.43 110.999 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -168.47 66.58 0.18 Allowed Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.046 -0.821 . . . . 71.120000000000005 111.046 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -130.67 -155.67 8.34 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.011 -0.836 . . . . 22.199999999999999 111.011 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.93 -123.82 8.02 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.971 -0.852 . . . . 41.530000000000001 110.971 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.62 -63.53 1.55 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.986 -0.846 . . . . 53.119999999999997 110.986 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.78 ' HB3' ' HB2' ' A' ' 25' ' ' ALA . 0.9 OUTLIER 41.93 46.97 3.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 34.140000000000001 110.001 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.02 96.26 1.03 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 73.439999999999998 109.337 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 66.05 24.99 10.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 75.349999999999994 109.317 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 28' ' ' LYS . 11.8 mt-10 -116.24 -44.6 2.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 71.030000000000001 110.295 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.78 ' HB2' ' HB3' ' A' ' 21' ' ' SER . . . -54.77 -28.6 50.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 74.430000000000007 109.299 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.618 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -86.17 -42.12 14.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 74.030000000000001 111.037 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.481 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -75.29 -7.72 54.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 21.420000000000002 109.299 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 24' ' ' GLU . 0.1 OUTLIER -82.04 -43.75 17.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 75.200000000000003 109.292 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 30' ' ' ILE . 17.5 mmt-85 -78.08 -41.24 36.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 74.219999999999999 110.303 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.586 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.1 mm -37.84 -37.72 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 64.430000000000007 109.323 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.524 ' O ' ' HB2' ' A' ' 35' ' ' ALA . . . -40.33 -56.65 1.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 40.140000000000001 109.271 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.54 ' CG ' ' N ' ' A' ' 33' ' ' ALA . 8.9 pt-20 -50.82 -49.56 58.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.098 . . . . 70.450000000000003 110.31 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.54 ' N ' ' CG ' ' A' ' 32' ' ' GLU . . . -57.72 -70.39 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 53.329999999999998 109.312 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 10.5 ptm -53.08 -18.94 2.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 64.040000000000006 111.029 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.524 ' HB2' ' O ' ' A' ' 31' ' ' ALA . . . -78.21 -45.38 23.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 74.420000000000002 109.316 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt 40.28 51.44 2.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 63.0 109.273 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.538 1.149 . . . . 32.520000000000003 111.004 179.949 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.32 -0.252 . . . . 75.329999999999998 110.32 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 146.14 134.57 2.66 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.465 1.103 . . . . 54.439999999999998 111.045 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.78 88.95 3.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 54.439999999999998 109.279 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.46 ' O ' ' CE3' ' A' ' 4' ' ' TRP . 64.3 p-90 -86.4 110.29 19.61 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.962 -1.125 . . . . 75.329999999999998 107.962 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.1 m -61.6 150.7 35.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 62.020000000000003 110.417 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -175.14 135.07 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 75.150000000000006 110.954 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.9 t30 71.01 43.05 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 63.119999999999997 109.328 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.819 ' O ' HG23 ' A' ' 9' ' ' ILE . . . 50.43 39.25 36.18 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.521 1.138 . . . . 33.299999999999997 110.984 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.819 HG23 ' O ' ' A' ' 8' ' ' GLY . 1.2 pp -163.21 144.91 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 0.784 . . . . 73.439999999999998 109.309 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.6 m -96.71 161.45 13.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 62.200000000000003 110.379 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.428 ' CE2' ' CH2' ' A' ' 4' ' ' TRP . 10.9 m-30 -111.06 108.47 18.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 72.519999999999996 110.98 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -76.92 -16.97 59.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 62.030000000000001 110.26 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 158.61 75.64 0.02 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.512 1.133 . . . . 71.230000000000004 111.01 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.65 150.69 45.2 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.032 -0.827 . . . . 61.009999999999998 111.032 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 128.79 62.9 0.11 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.987 -0.845 . . . . 74.430000000000007 110.987 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -138.22 63.68 0.56 Allowed Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.028 -0.829 . . . . 52.049999999999997 111.028 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -111.02 71.35 0.21 Allowed Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.963 -0.855 . . . . 75.540000000000006 110.963 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.31 132.33 2.7 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.023 -0.831 . . . . 52.149999999999999 111.023 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.21 -57.85 1.84 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.008 -0.837 . . . . 72.340000000000003 111.008 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -40.17 -73.93 0.16 Allowed Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.011 -0.836 . . . . 34.43 111.011 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.7 p 59.28 43.58 16.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 0.769 . . . . 74.430000000000007 110.021 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.21 -76.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 70.010000000000005 109.261 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -134.97 33.0 3.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 74.400000000000006 109.286 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -101.79 -24.65 14.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 73.430000000000007 110.274 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.18 -25.58 39.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 42.329999999999998 109.293 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.627 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -82.93 -38.55 22.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 65.209999999999994 110.953 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.423 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -66.48 -66.95 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 64.420000000000002 109.308 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -40.04 -42.93 1.49 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 73.25 109.324 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 30' ' ' ILE . 7.3 tpt180 -66.17 -51.67 55.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 74.109999999999999 110.274 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.565 HG13 ' CD1' ' A' ' 26' ' ' TYR . 0.8 OUTLIER -37.76 -56.5 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 75.230000000000004 109.302 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -43.19 -52.12 5.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 65.439999999999998 109.3 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 29' ' ' ARG . 3.3 mt-10 -51.13 -54.55 24.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 72.219999999999999 110.284 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.12 -52.55 50.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 74.420000000000002 109.363 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.5 mmt -62.01 -12.57 19.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 64.400000000000006 110.988 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -105.14 70.05 0.88 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 72.400000000000006 109.273 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.25 148.2 47.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 73.430000000000007 109.341 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.939 0 O-C-N 124.523 1.139 . . . . 52.539999999999999 110.999 -179.97 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.322 -0.251 . . . . 71.409999999999997 110.322 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -52.49 -88.46 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.498 1.124 . . . . 61.219999999999999 110.995 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 33.1 mtmt -44.09 111.42 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 0.735 . . . . 54.329999999999998 109.311 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.575 ' CH2' ' HB2' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -88.75 81.17 7.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 71.109999999999999 108.015 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.434 ' O ' ' CZ3' ' A' ' 4' ' ' TRP . 91.2 m -92.45 138.34 31.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 71.049999999999997 110.41 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.575 ' HB2' ' CH2' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -108.96 -64.01 1.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 73.319999999999993 110.992 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.52 ' N ' ' CG ' ' A' ' 6' ' ' TYR . 7.2 t-20 -130.92 66.83 1.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 73.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.41 -52.97 3.86 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.434 1.084 . . . . 72.310000000000002 111.021 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.2 pp -62.05 142.52 16.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 0.752 . . . . 75.129999999999995 109.298 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.2 m -105.15 151.77 23.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 74.310000000000002 110.396 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.469 ' CD2' ' NE1' ' A' ' 4' ' ' TRP . 7.1 m-30 -103.12 30.98 4.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 73.340000000000003 111.046 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.67 148.21 0.25 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 72.400000000000006 110.358 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.08 99.53 2.19 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.129 . . . . 72.439999999999998 110.989 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 111.22 -159.46 13.76 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.996 -0.841 . . . . 73.430000000000007 110.996 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 126.96 -95.8 0.44 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.022 -0.831 . . . . 74.450000000000003 111.022 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 17' ' ' GLY . . . -76.31 -153.12 4.61 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.017 -0.833 . . . . 75.140000000000001 111.017 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 16' ' ' GLY . . . -37.9 115.17 0.35 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.014 -0.835 . . . . 43.310000000000002 111.014 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -91.13 160.03 26.85 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.02 -0.832 . . . . 75.319999999999993 111.02 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -174.15 -67.5 0.05 OUTLIER Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.97 -0.852 . . . . 74.209999999999994 110.97 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 116.07 50.35 0.43 Allowed Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.982 -0.847 . . . . 55.520000000000003 110.982 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.404 ' CB ' ' CD ' ' A' ' 24' ' ' GLU . 0.1 OUTLIER -69.02 72.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 70.040000000000006 109.959 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.555 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -97.66 107.98 20.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 74.400000000000006 109.271 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.639 ' HB1' ' CE2' ' A' ' 26' ' ' TYR . . . 74.94 25.09 1.45 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 51.409999999999997 109.268 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 28' ' ' LYS . 9.7 pt-20 -71.77 -27.2 62.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 74.319999999999993 110.281 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.87 -47.16 60.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 64.230000000000004 109.309 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.662 ' CD1' ' N ' ' A' ' 27' ' ' ALA . 0.1 OUTLIER -82.14 -44.47 16.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 54.200000000000003 110.98 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.662 ' N ' ' CD1' ' A' ' 26' ' ' TYR . . . -61.66 -15.0 36.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 51.140000000000001 109.288 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 24' ' ' GLU . 0.2 OUTLIER -63.53 -54.4 36.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 52.520000000000003 109.321 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -67.95 -43.13 79.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 60.140000000000001 110.322 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' A' ' 29' ' ' ARG . 18.1 mm -37.5 -54.52 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 72.099999999999994 109.296 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.13 -53.9 9.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 70.450000000000003 109.357 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 29' ' ' ARG . 2.7 mt-10 -44.77 -54.37 6.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 64.230000000000004 110.336 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.55 -51.93 66.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 50.399999999999999 109.313 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 66.7 mmm -62.45 -12.08 19.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 64.340000000000003 110.999 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -96.04 141.37 29.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 72.430000000000007 109.257 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -40.56 -62.95 0.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 72.530000000000001 109.32 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.528 1.143 . . . . 75.430000000000007 111.001 179.961 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.303 -0.258 . . . . 74.010000000000005 110.303 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 124.0 -142.7 14.39 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.509 1.131 . . . . 73.219999999999999 111.004 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.17 104.71 13.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 0.794 . . . . 71.329999999999998 109.288 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.59 ' O ' ' CE3' ' A' ' 4' ' ' TRP . 66.4 p-90 -100.43 96.12 7.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 73.5 107.977 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 m -61.75 139.76 58.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 71.040000000000006 110.405 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -128.11 99.92 5.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 73.219999999999999 111.023 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.7 m120 61.33 49.59 5.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 72.299999999999997 109.336 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 9' ' ' ILE . . . 89.98 -55.49 3.68 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.534 1.146 . . . . 41.439999999999998 111.041 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.548 HG23 ' CE1' ' A' ' 11' ' ' TYR . 0.6 OUTLIER -39.1 131.96 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 0.746 . . . . 63.5 109.265 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -103.68 118.94 37.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 73.450000000000003 110.324 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.548 ' CE1' HG23 ' A' ' 9' ' ' ILE . 6.0 m-30 -105.18 119.03 38.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 75.310000000000002 111.026 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.97 161.03 31.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 73.329999999999998 110.283 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.32 124.52 6.57 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.545 1.153 . . . . 62.109999999999999 110.976 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -161.06 -102.11 0.17 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.967 -0.853 . . . . 71.219999999999999 110.967 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 121.3 159.96 10.88 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.022 -0.831 . . . . 65.030000000000001 111.022 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 96.45 -127.22 9.1 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.015 -0.834 . . . . 60.020000000000003 111.015 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -56.28 -171.53 0.13 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.03 -0.828 . . . . 53.130000000000003 111.03 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 119.23 65.86 0.29 Allowed Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.003 -0.839 . . . . 65.349999999999994 111.003 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -159.4 138.81 5.82 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.026 -0.83 . . . . 75.439999999999998 111.026 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 152.0 -143.06 9.97 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.027 -0.829 . . . . 64.030000000000001 111.027 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.0 m -99.48 30.08 3.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 0.743 . . . . 73.349999999999994 109.963 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.442 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -90.03 105.01 17.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 72.439999999999998 109.262 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 68.27 25.0 7.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 74.129999999999995 109.321 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -124.45 -39.38 2.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 73.420000000000002 110.271 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.413 ' O ' ' CZ ' ' A' ' 29' ' ' ARG . . . -99.59 -24.8 14.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 54.340000000000003 109.304 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.684 ' CG ' ' N ' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -97.49 -58.27 2.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 64.209999999999994 111.018 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.684 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -50.44 -21.67 1.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 63.149999999999999 109.329 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.409 ' N ' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -75.09 -44.93 44.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 72.230000000000004 109.3 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 30' ' ' ILE . 4.0 mtt85 -65.47 -46.35 80.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 74.109999999999999 110.27 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.633 HG13 ' CE1' ' A' ' 26' ' ' TYR . 8.8 mm -37.07 -59.99 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 63.340000000000003 109.303 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -40.69 -54.24 2.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 71.140000000000001 109.317 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -46.72 -57.36 4.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 64.310000000000002 110.277 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.87 -54.04 40.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 1.099 . . . . 53.43 109.287 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 10.0 mmt -65.08 -11.55 40.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 74.239999999999995 110.966 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -96.59 103.77 15.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 73.329999999999998 109.293 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.75 129.36 34.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 64.409999999999997 109.318 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.49 1.119 . . . . 75.329999999999998 111.023 -179.972 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.9 ptp180 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.29 -0.263 . . . . 61.219999999999999 110.29 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.16 -78.43 1.77 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.546 1.154 . . . . 74.430000000000007 110.981 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -72.11 146.01 47.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 0.761 . . . . 73.209999999999994 109.346 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.468 ' HA ' ' CE3' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -62.39 110.5 1.68 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 75.349999999999994 108.001 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.3 m -123.96 113.1 18.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 33.149999999999999 110.42 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 1.042 ' O ' HD12 ' A' ' 9' ' ' ILE . 62.0 t80 -165.49 125.12 1.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 73.439999999999998 110.997 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.462 ' HB3' HG23 ' A' ' 9' ' ' ILE . 8.6 t30 74.95 25.1 1.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 71.120000000000005 109.316 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 62.64 40.37 99.08 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.476 1.11 . . . . 72.420000000000002 111.018 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 1.042 HD12 ' O ' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -129.21 174.4 12.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.429 0.723 . . . . 74.420000000000002 109.316 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.425 ' N ' HG12 ' A' ' 9' ' ' ILE . 20.9 m -137.7 138.43 39.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 74.329999999999998 110.416 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.51 ' CZ ' HG13 ' A' ' 9' ' ' ILE . 22.9 m-85 -125.2 90.7 3.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 64.450000000000003 110.985 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -67.55 119.79 12.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 73.049999999999997 110.313 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -38.0 -84.46 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.513 1.133 . . . . 65.030000000000001 111.001 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -88.39 85.0 1.47 Allowed Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.023 -0.831 . . . . 73.200000000000003 111.023 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -138.4 -127.45 2.51 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.017 -0.833 . . . . 64.310000000000002 111.017 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -125.22 161.68 19.67 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.003 -0.839 . . . . 40.119999999999997 111.003 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 127.15 151.55 7.76 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.021 -0.832 . . . . 51.539999999999999 111.021 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.79 136.0 35.67 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.032 -0.827 . . . . 22.309999999999999 111.032 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 90.94 66.2 1.18 Allowed Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.994 -0.843 . . . . 73.439999999999998 110.994 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.5 -148.8 6.56 Favored Glycine 0 CA--C 1.531 1.058 0 N-CA-C 110.977 -0.849 . . . . 54.439999999999998 110.977 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.43 ' HA ' ' CG ' ' A' ' 24' ' ' GLU . 12.1 m -88.59 43.13 1.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 0.771 . . . . 65.310000000000002 110.01 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.557 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -87.5 79.03 8.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 53.109999999999999 109.263 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 74.95 25.38 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 54.219999999999999 109.322 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.43 ' CG ' ' HA ' ' A' ' 21' ' ' SER . 9.9 pt-20 -83.05 -23.88 32.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 74.439999999999998 110.33 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 27' ' ' ALA . . . -72.27 -67.89 0.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 74.450000000000003 109.34 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.612 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -35.26 -33.29 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 74.349999999999994 111.004 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 25' ' ' ALA . . . -64.87 -74.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 44.240000000000002 109.318 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 27' ' ' ALA . 16.7 ptmt -38.1 -40.93 0.53 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 73.239999999999995 109.32 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 30' ' ' ILE . 15.9 mmt85 -65.68 -49.6 67.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 70.319999999999993 110.331 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.565 HG13 ' CD1' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -39.14 -60.45 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 73.349999999999994 109.324 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.27 -55.73 2.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 75.209999999999994 109.283 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.488 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 3.2 mt-10 -48.6 -54.07 16.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 64.530000000000001 110.295 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.47 -51.61 58.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 64.230000000000004 109.329 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 7.4 mtm -61.46 -13.07 17.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 72.230000000000004 110.954 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 32' ' ' GLU . . . -91.33 -64.94 1.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 75.109999999999999 109.306 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -57.35 -61.08 2.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 75.099999999999994 109.29 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.477 1.111 . . . . 64.109999999999999 111.015 179.998 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.334 -0.247 . . . . 73.239999999999995 110.334 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 148.16 58.15 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.448 1.092 . . . . 50.049999999999997 110.999 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.512 ' HD2' HG23 ' A' ' 10' ' ' THR . 0.9 OUTLIER -117.05 -175.36 2.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 0.766 . . . . 61.039999999999999 109.318 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.546 ' CE3' ' O ' ' A' ' 4' ' ' TRP . 66.5 p-90 -158.03 108.02 2.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 73.299999999999997 107.97 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.413 HG23 ' O ' ' A' ' 9' ' ' ILE . 43.8 m -90.97 145.28 24.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 71.319999999999993 110.416 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -125.82 -50.77 1.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 71.549999999999997 110.965 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -106.49 -29.79 9.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 74.530000000000001 109.295 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 159.38 -33.35 0.46 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.482 1.113 . . . . 51.329999999999998 110.974 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.69 HG22 ' CD1' ' A' ' 11' ' ' TYR . 7.4 mm -60.91 164.84 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 0.752 . . . . 73.049999999999997 109.31 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.515 ' N ' ' CG2' ' A' ' 9' ' ' ILE . 19.2 m -69.94 -52.99 19.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 74.409999999999997 110.412 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.69 ' CD1' HG22 ' A' ' 9' ' ' ILE . 6.8 m-30 55.19 32.31 18.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 53.450000000000003 110.971 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.1 -24.98 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.59 1.181 . . . . 64.109999999999999 110.257 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.16 133.76 4.93 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.481 1.113 . . . . 65.329999999999998 110.994 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -174.38 138.4 4.42 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.965 -0.854 . . . . 70.409999999999997 110.965 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 104.5 90.6 2.18 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.988 -0.845 . . . . 34.149999999999999 110.988 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.8 -91.39 1.19 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.031 -0.828 . . . . 74.409999999999997 111.031 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 149.63 153.86 6.2 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.034 -0.826 . . . . 53.240000000000002 111.034 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -178.91 128.08 1.21 Allowed Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.019 -0.832 . . . . 51.310000000000002 111.019 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -42.5 -59.92 2.97 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.97 -0.852 . . . . 72.219999999999999 110.97 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -179.23 -67.43 0.07 OUTLIER Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.991 -0.844 . . . . 74.129999999999995 110.991 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.1 m -105.37 92.29 4.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.757 . . . . 61.329999999999998 109.963 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.495 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -75.38 84.12 2.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 71.049999999999997 109.281 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 70.88 25.03 3.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 64.209999999999994 109.35 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -103.11 -23.96 13.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 74.129999999999995 110.302 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.2 -30.48 71.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.093 . . . . 71.030000000000001 109.324 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.69 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -84.73 -44.51 13.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 63.119999999999997 111.05 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.604 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -69.12 -9.72 54.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 60.119999999999997 109.298 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -64.38 -29.91 70.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 73.310000000000002 109.302 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.436 ' CD ' ' O ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -93.97 -51.86 4.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 74.349999999999994 110.28 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.561 HD13 ' N ' ' A' ' 30' ' ' ILE . 3.6 mm -39.25 -32.47 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 73.420000000000002 109.337 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.418 ' N ' ' C ' ' A' ' 29' ' ' ARG . . . -47.85 -53.15 16.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 54.420000000000002 109.27 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.543 ' CG ' ' N ' ' A' ' 33' ' ' ALA . 6.3 pt-20 -48.88 -49.7 38.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 71.510000000000005 110.357 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.543 ' N ' ' CG ' ' A' ' 32' ' ' GLU . . . -50.43 -62.14 1.77 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 64.239999999999995 109.311 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.78 57.8 3.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 72.129999999999995 110.984 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -111.58 66.96 0.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 75.530000000000001 109.314 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.21 175.29 12.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.118 . . . . 71.409999999999997 109.311 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.52 1.137 . . . . 54.340000000000003 110.974 179.99 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.616 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.53 0.205 . . . . 73.2 111.004 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.491 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -77.24 -5.21 48.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 54.23 109.276 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.457 ' HE3' ' CZ ' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -88.38 -26.85 21.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 61.53 109.275 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.457 ' CZ ' ' HE3' ' A' ' 28' ' ' LYS . 13.5 mmt180 -94.11 -42.35 9.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.414 1.071 . . . . 73.13 110.328 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.551 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -38.08 -51.5 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 63.15 109.315 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.97 -52.6 32.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 73.41 109.258 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.557 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 3.7 mt-10 -48.02 -57.16 6.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 62.24 110.302 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.25 -53.84 38.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.103 . . . . 64.23 109.304 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 20.5 mmt -62.86 -11.61 19.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 74.32 111.018 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 32' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 60.31 109.282 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.606 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.542 0.211 . . . . 72.23 111.053 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.492 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -65.87 -11.56 47.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 61.11 109.295 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 29' ' ' ARG . 5.9 tptt -81.18 -66.68 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 75.14 109.294 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 32' ' ' GLU . 3.0 mtt85 -51.57 -42.38 61.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 63.41 110.275 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.578 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.1 mm -37.8 -60.96 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 74.22 109.327 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -40.27 -47.27 2.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 74.24 109.262 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 29' ' ' ARG . 4.6 mt-10 -65.2 -52.19 56.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 64.32 110.281 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 32' ' ' GLU . . . -39.71 -55.6 1.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 63.42 109.285 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 16.6 mmt -82.73 -20.14 36.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 65.32 110.968 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 74.54 109.302 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.614 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.5 0.19 . . . . 72.44 110.968 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.505 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -75.51 -6.08 48.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 72.2 109.287 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -84.4 -36.99 22.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 61.4 109.317 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 32' ' ' GLU . 29.2 mtt85 -84.03 -43.39 15.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 74.44 110.344 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.559 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -37.78 -52.06 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 52.43 109.301 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.44 -50.96 5.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 74.31 109.31 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 29' ' ' ARG . 4.0 mt-10 -49.15 -56.23 9.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 45.41 110.32 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.2 -48.96 70.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 72.01 109.292 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 32.2 mtt -63.99 -11.59 30.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 73.22 110.98 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 75.51 109.338 179.974 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.606 ' CG ' ' N ' ' A' ' 27' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.532 0.206 . . . . 75.33 111.015 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.606 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -63.56 -14.07 47.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 40.01 109.323 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.8 ttpt -87.23 -49.6 7.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 64.04 109.342 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.465 ' O ' ' C ' ' A' ' 30' ' ' ILE . 4.7 tpt180 -64.12 -46.71 82.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 74.31 110.286 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.564 HG13 ' CD1' ' A' ' 26' ' ' TYR . 0.9 OUTLIER -35.83 -47.34 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 72.41 109.285 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -41.45 -57.3 2.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 63.51 109.312 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.509 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 5.6 mt-10 -45.01 -56.86 4.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 74.24 110.358 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.51 -56.52 12.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 64.23 109.336 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.7 mmt -62.13 -12.39 19.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 71.01 110.992 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 32' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 53.42 109.298 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.613 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.494 0.187 . . . . 74.01 110.986 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.494 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -66.1 -11.39 48.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 74.13 109.311 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -81.59 -67.12 0.81 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 61.25 109.246 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 30' ' ' ILE . 13.1 mtm180 -51.18 -42.26 60.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 74.34 110.348 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.575 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.1 mm -37.48 -61.58 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 51.04 109.247 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.52 -53.6 4.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 62.41 109.325 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.436 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 4.9 mt-10 -47.98 -57.19 6.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 63.41 110.31 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.82 -54.81 24.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.562 1.163 . . . . 75.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 20.9 mmt -62.29 -12.2 19.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 42.33 111.015 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 32' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 63.41 109.3 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.595 ' CG ' ' N ' ' A' ' 27' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.538 0.208 . . . . 72.1 110.995 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.595 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -65.05 -15.68 62.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 51.32 109.308 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.447 ' CG ' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -85.92 -49.19 8.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 74.52 109.299 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.455 ' O ' ' C ' ' A' ' 30' ' ' ILE . 0.2 OUTLIER -64.09 -46.02 86.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 73.13 110.334 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.518 HG13 ' CD1' ' A' ' 26' ' ' TYR . 0.9 OUTLIER -35.75 -61.93 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 63.25 109.322 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -41.45 -52.38 3.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 63.04 109.335 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 29' ' ' ARG . 5.5 mt-10 -49.98 -57.12 8.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 73.15 110.315 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.68 -57.29 9.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 72.35 109.285 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 7.2 mtt -62.6 -12.02 20.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 74.12 110.975 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 74.12 109.295 -179.972 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.637 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.535 0.207 . . . . 74.33 111.027 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.4 -7.31 57.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 73.45 109.306 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.597 ' CE ' ' CZ ' ' A' ' 29' ' ' ARG . 5.1 tttt -81.93 -40.92 21.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 74.21 109.319 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.597 ' CZ ' ' CE ' ' A' ' 28' ' ' LYS . 27.7 mmt180 -80.85 -41.56 22.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 74.34 110.291 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.578 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.1 mm -37.59 -52.22 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 71.42 109.26 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -48.85 -52.85 21.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 64.43 109.319 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 29' ' ' ARG . 3.8 mt-10 -47.12 -55.83 7.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 61.42 110.332 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.66 -47.33 73.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 71.13 109.26 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.0 mtt -63.41 -11.67 24.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 74.2 110.974 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 63.52 109.294 -179.951 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.607 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.544 0.211 . . . . 74.34 111.019 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.534 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -69.01 -15.6 63.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 41.33 109.331 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.83 -50.84 7.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 74.51 109.338 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.453 ' O ' ' C ' ' A' ' 30' ' ' ILE . 19.2 mtm180 -65.77 -41.36 92.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 75.14 110.276 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.569 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -36.82 -55.2 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 75.44 109.283 -179.913 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.6 -52.91 16.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 71.03 109.301 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.594 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 3.9 mt-10 -49.05 -55.94 10.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 75.15 110.349 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.83 -54.55 27.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 70.34 109.295 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 8.3 mmt -62.21 -12.23 19.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 64.42 110.985 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.594 ' HB3' ' O ' ' A' ' 32' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 60.41 109.255 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.638 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.551 0.215 . . . . 74.31 111.016 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.437 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -77.2 -7.62 56.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 64.43 109.291 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.42 ' HD3' ' CZ ' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -82.36 -41.75 19.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.442 1.089 . . . . 74.32 109.294 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 30' ' ' ILE . 28.3 mmt180 -79.76 -41.46 26.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 74.11 110.278 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.586 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.1 mm -37.61 -60.73 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 52.14 109.311 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 30' ' ' ILE . . . -40.51 -55.17 2.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 64.33 109.283 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -45.49 -57.11 4.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 74.35 110.323 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.6 -39.23 70.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 71.3 109.318 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 16.8 mmt -88.17 19.74 3.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 64.42 111.002 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 72.01 109.305 -179.965 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.638 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.481 0.181 . . . . 61.31 110.981 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 30' ' ' ILE . . . -64.58 -73.97 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 62.05 109.283 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -39.74 -39.33 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 74.03 109.261 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 30' ' ' ILE . 0.3 OUTLIER -66.7 -48.88 67.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 72.54 110.287 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.57 HG13 ' CD1' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -39.72 -54.12 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 61.34 109.305 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.93 -52.06 15.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 71.02 109.31 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.575 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 3.6 mt-10 -48.97 -56.81 7.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 62.2 110.286 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.97 -54.53 28.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 64.21 109.353 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 12.8 mmt -62.32 -12.19 19.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 62.43 111.008 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.575 ' HB3' ' O ' ' A' ' 32' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.165 . . . . 21.14 109.296 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.628 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.514 0.197 . . . . 64.52 111.039 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.46 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -66.81 -11.56 55.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 60.1 109.312 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -80.63 -67.46 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 71.22 109.337 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 32' ' ' GLU . 29.5 mtt180 -51.05 -42.75 60.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 75.43 110.293 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.58 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.1 mm -37.02 -34.12 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 71.14 109.292 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 29' ' ' ARG . . . -54.24 -56.6 16.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 70.25 109.29 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.562 ' CG ' ' N ' ' A' ' 33' ' ' ALA . 7.6 pt-20 -53.45 -49.66 66.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 64.44 110.318 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.562 ' N ' ' CG ' ' A' ' 32' ' ' GLU . . . -50.48 -56.33 12.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.112 . . . . 62.34 109.304 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.1 mtt -62.5 -13.14 27.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 72.04 111.048 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 61.24 109.272 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.603 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.559 0.219 . . . . 72.43 111.006 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.569 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -70.59 -7.6 45.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 42.24 109.344 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.65 -44.51 11.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 72.51 109.334 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 31' ' ' ALA . 58.8 mtt180 -74.6 -41.9 59.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 53.15 110.318 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.561 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -37.4 -33.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 75.24 109.32 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 29' ' ' ARG . . . -49.75 -57.6 6.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 74.35 109.307 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.552 ' CG ' ' N ' ' A' ' 33' ' ' ALA . 5.9 pt-20 -57.25 -49.57 75.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 72.41 110.274 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.552 ' N ' ' CG ' ' A' ' 32' ' ' GLU . . . -47.26 -66.23 0.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 75.41 109.316 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 9.1 mmm -58.86 -14.77 9.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 65.31 111.0 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.401 ' HB3' ' HA ' ' A' ' 32' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 63.42 109.305 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.636 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.502 0.191 . . . . 63.53 110.985 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.01 -0.05 29.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 64.53 109.259 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -87.8 -42.49 12.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 72.5 109.302 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 32' ' ' GLU . 22.0 mmt180 -79.66 -41.01 27.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 74.21 110.304 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.551 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.2 mm -37.64 -51.31 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 71.23 109.333 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.01 -52.14 45.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 64.32 109.277 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 29' ' ' ARG . 3.2 mt-10 -48.08 -56.05 8.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 63.32 110.309 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.99 -48.59 70.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 65.34 109.282 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 45.5 mmm -64.23 -11.56 32.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 75.22 111.028 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 72.2 109.321 -179.991 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.589 ' CD1' HG13 ' A' ' 30' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.532 0.206 . . . . 72.23 110.974 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.575 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -66.3 -10.7 45.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 64.14 109.302 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.448 ' CG ' ' N ' ' A' ' 29' ' ' ARG . 14.9 ptmt -87.74 -52.22 5.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 62.25 109.344 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.452 ' O ' ' C ' ' A' ' 30' ' ' ILE . 46.0 mtt180 -65.3 -42.72 92.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 75.22 110.29 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.589 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -36.52 -48.64 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 63.11 109.305 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.5 -55.84 6.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 73.32 109.333 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.549 ' CG ' ' N ' ' A' ' 33' ' ' ALA . 0.9 OUTLIER -49.97 -49.16 51.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 74.2 110.268 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.549 ' N ' ' CG ' ' A' ' 32' ' ' GLU . . . -54.61 -55.2 31.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 42.15 109.333 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -61.65 -12.6 16.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 63.01 111.005 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 32' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 54.44 109.307 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.618 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.561 0.219 . . . . 74.03 111.037 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.481 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -75.29 -7.72 54.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 21.42 109.299 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.04 -43.75 17.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 75.2 109.292 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 30' ' ' ILE . 17.5 mmt-85 -78.08 -41.24 36.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 74.22 110.303 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.586 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.1 mm -37.84 -37.72 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 64.43 109.323 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.524 ' O ' ' HB2' ' A' ' 35' ' ' ALA . . . -40.33 -56.65 1.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 40.14 109.271 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.54 ' CG ' ' N ' ' A' ' 33' ' ' ALA . 8.9 pt-20 -50.82 -49.56 58.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.098 . . . . 70.45 110.31 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.54 ' N ' ' CG ' ' A' ' 32' ' ' GLU . . . -57.72 -70.39 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 53.33 109.312 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 10.5 ptm -53.08 -18.94 2.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 64.04 111.029 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.524 ' HB2' ' O ' ' A' ' 31' ' ' ALA . . . . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 74.42 109.316 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.627 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.467 0.175 . . . . 65.21 110.953 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.423 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -66.48 -66.95 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 64.42 109.308 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -40.04 -42.93 1.49 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 73.25 109.324 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 30' ' ' ILE . 7.3 tpt180 -66.17 -51.67 55.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 74.11 110.274 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.565 HG13 ' CD1' ' A' ' 26' ' ' TYR . 0.8 OUTLIER -37.76 -56.5 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 75.23 109.302 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -43.19 -52.12 5.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 65.44 109.3 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 29' ' ' ARG . 3.3 mt-10 -51.13 -54.55 24.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 72.22 110.284 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.12 -52.55 50.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 74.42 109.363 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.5 mmt -62.01 -12.57 19.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 64.4 110.988 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 72.4 109.273 -179.977 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.662 ' CD1' ' N ' ' A' ' 27' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.499 0.19 . . . . 54.2 110.98 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.662 ' N ' ' CD1' ' A' ' 26' ' ' TYR . . . -61.66 -15.0 36.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 51.14 109.288 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.53 -54.4 36.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 52.52 109.321 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -67.95 -43.13 79.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 60.14 110.322 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' A' ' 29' ' ' ARG . 18.1 mm -37.5 -54.52 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 72.1 109.296 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.13 -53.9 9.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 70.45 109.357 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 29' ' ' ARG . 2.7 mt-10 -44.77 -54.37 6.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 64.23 110.336 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.55 -51.93 66.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 50.4 109.313 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 66.7 mmm -62.45 -12.08 19.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 64.34 110.999 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 72.43 109.257 -179.971 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.684 ' CG ' ' N ' ' A' ' 27' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.539 0.209 . . . . 64.21 111.018 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.684 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -50.44 -21.67 1.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 63.15 109.329 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.409 ' N ' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -75.09 -44.93 44.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 72.23 109.3 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 30' ' ' ILE . 4.0 mtt85 -65.47 -46.35 80.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 74.11 110.27 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.633 HG13 ' CE1' ' A' ' 26' ' ' TYR . 8.8 mm -37.07 -59.99 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 63.34 109.303 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -40.69 -54.24 2.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 71.14 109.317 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -46.72 -57.36 4.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 64.31 110.277 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.87 -54.04 40.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 1.099 . . . . 53.43 109.287 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 10.0 mmt -65.08 -11.55 40.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 74.24 110.966 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 73.33 109.293 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.612 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.494 0.187 . . . . 74.35 111.004 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 30' ' ' ILE . . . -64.87 -74.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 44.24 109.318 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 27' ' ' ALA . 16.7 ptmt -38.1 -40.93 0.53 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 73.24 109.32 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 30' ' ' ILE . 15.9 mmt85 -65.68 -49.6 67.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 70.32 110.331 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.565 HG13 ' CD1' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -39.14 -60.45 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 73.35 109.324 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.27 -55.73 2.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 75.21 109.283 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.488 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 3.2 mt-10 -48.6 -54.07 16.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 64.53 110.295 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.47 -51.61 58.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 64.23 109.329 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 7.4 mtm -61.46 -13.07 17.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 72.23 110.954 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 32' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 75.11 109.306 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.69 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.493 0.187 . . . . 63.12 111.05 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.604 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -69.12 -9.72 54.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 60.12 109.298 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -64.38 -29.91 70.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 73.31 109.302 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.436 ' CD ' ' O ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -93.97 -51.86 4.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 74.35 110.28 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.561 ' N ' HD13 ' A' ' 30' ' ' ILE . 3.6 mm -39.25 -32.47 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 73.42 109.337 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.418 ' N ' ' C ' ' A' ' 29' ' ' ARG . . . -47.85 -53.15 16.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 54.42 109.27 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.543 ' CG ' ' N ' ' A' ' 33' ' ' ALA . 6.3 pt-20 -48.88 -49.7 38.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 71.51 110.357 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.543 ' N ' ' CG ' ' A' ' 32' ' ' GLU . . . -50.43 -62.14 1.77 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 64.24 109.311 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.78 57.8 3.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 72.13 110.984 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 75.53 109.314 179.971 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.301 -0.259 . . . . 60.14 110.301 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 130.58 170.81 12.78 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.522 1.139 . . . . 61.2 110.985 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.95 149.92 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.758 . . . . 62.13 109.293 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 67.3 p-90 -140.46 118.86 12.16 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.007 -1.109 . . . . 71.3 108.007 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.3 m -69.42 151.96 45.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 73.21 110.375 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -121.35 -62.94 1.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 74.01 111.011 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -135.04 58.86 1.75 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 73.33 109.298 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.83 -61.9 2.66 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.545 1.153 . . . . 72.11 111.009 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.3 pp -58.99 141.67 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.411 0.712 . . . . 74.13 109.306 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.6 m -102.02 162.69 12.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 63.3 110.439 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 10.4 m-30 -111.83 162.98 14.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 73.42 110.995 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -162.51 113.68 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 74.25 110.336 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 145.14 -67.57 0.42 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 52.43 110.985 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -40.46 114.57 0.53 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.002 -0.839 . . . . 72.23 111.002 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 105.9 77.95 1.15 Allowed Glycine 0 CA--C 1.531 1.055 0 N-CA-C 110.98 -0.848 . . . . 53.51 110.98 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.83 -70.68 0.95 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.964 -0.855 . . . . 74.05 110.964 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 77.74 99.08 0.2 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.964 -0.854 . . . . 73.43 110.964 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -131.53 -64.72 0.09 OUTLIER Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.025 -0.83 . . . . 55.11 111.025 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -102.06 -142.7 12.7 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.037 -0.825 . . . . 51.22 111.037 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.31 161.96 24.92 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 111.013 -0.835 . . . . 64.05 111.013 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.1 m -94.98 39.64 1.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 0.786 . . . . 62.02 110.006 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.63 -67.83 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 73.43 109.331 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.572 ' O ' ' HB3' ' A' ' 27' ' ' ALA . . . -59.16 -22.35 60.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 64.14 109.311 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -90.86 33.91 0.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 75.31 110.284 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.47 ' CA ' ' HG2' ' A' ' 28' ' ' LYS . . . -129.5 -45.09 1.21 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 73.13 109.292 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.616 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -100.04 -41.44 7.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 73.2 111.004 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.572 ' HB3' ' O ' ' A' ' 23' ' ' ALA . . . -77.24 -5.21 48.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 54.23 109.276 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.47 ' HG2' ' CA ' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -88.38 -26.85 21.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 61.53 109.275 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.457 ' CZ ' ' HE3' ' A' ' 28' ' ' LYS . 13.5 mmt180 -94.11 -42.35 9.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.414 1.071 . . . . 73.13 110.328 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.551 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -38.08 -51.5 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 63.15 109.315 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.97 -52.6 32.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 73.41 109.258 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.557 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 3.7 mt-10 -48.02 -57.16 6.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 62.24 110.302 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.25 -53.84 38.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.103 . . . . 64.23 109.304 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 20.5 mmt -62.86 -11.61 19.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 74.32 111.018 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 32' ' ' GLU . . . -87.49 72.65 9.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 60.31 109.282 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.4 ' HD3' ' N ' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -125.6 -45.6 1.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 70.02 109.311 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.4 ' N ' ' HD3' ' A' ' 36' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.481 1.113 . . . . 33.31 111.017 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.5 ptt180 . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 110.249 -0.278 . . . . 73.45 110.249 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -135.21 -143.24 4.72 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.505 1.128 . . . . 63.15 111.022 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.2 mmtm -127.76 134.92 49.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 0.768 . . . . 72.21 109.263 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.401 ' O ' ' HA ' ' A' ' 10' ' ' THR . 0.0 OUTLIER -79.31 94.16 5.43 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.962 -1.125 . . . . 74.25 107.962 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 61.2 m -117.44 135.56 53.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 70.44 110.391 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.403 ' HB3' ' CE2' ' A' ' 11' ' ' TYR . 22.0 t80 -134.97 -64.94 0.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 62.42 111.027 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -95.32 -54.68 3.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 73.44 109.35 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -172.98 -38.63 0.04 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.475 1.109 . . . . 72.34 111.009 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.3 pp -89.47 138.39 19.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 0.787 . . . . 64.11 109.315 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.456 HG22 ' H ' ' A' ' 12' ' ' GLU . 19.4 m -62.69 142.59 58.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 65.32 110.401 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.435 ' O ' ' C ' ' A' ' 12' ' ' GLU . 12.6 m-30 -108.87 16.34 22.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 74.13 111.009 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.456 ' H ' HG22 ' A' ' 10' ' ' THR . 0.8 OUTLIER -36.24 152.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 72.55 110.285 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.22 -127.51 8.04 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.539 1.149 . . . . 74.21 110.976 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.35 90.45 1.2 Allowed Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.031 -0.828 . . . . 65.12 111.031 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 94.02 -156.11 22.22 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.024 -0.83 . . . . 60.11 111.024 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.6 135.15 13.3 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.033 -0.827 . . . . 30.2 111.033 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -169.26 172.05 43.29 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.996 -0.842 . . . . 43.45 110.996 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -100.92 -96.48 2.24 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.996 -0.842 . . . . 50.02 110.996 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.05 171.42 28.63 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.039 -0.824 . . . . 43.12 111.039 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.32 92.68 0.11 Allowed Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.037 -0.825 . . . . 72.12 111.037 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.7 m -128.54 83.48 2.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 0.749 . . . . 63.51 110.05 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.87 -67.45 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 64.02 109.313 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.96 15.77 21.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 73.21 109.307 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -98.94 -40.05 8.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 64.31 110.283 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.82 -22.12 45.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 62.05 109.273 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.606 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -97.43 -44.15 6.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.464 1.102 . . . . 72.23 111.053 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.492 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -65.87 -11.56 47.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 61.11 109.295 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 29' ' ' ARG . 5.9 tptt -81.18 -66.68 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 75.14 109.294 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 32' ' ' GLU . 3.0 mtt85 -51.57 -42.38 61.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 63.41 110.275 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.578 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.1 mm -37.8 -60.96 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 74.22 109.327 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -40.27 -47.27 2.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 74.24 109.262 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 29' ' ' ARG . 4.6 mt-10 -65.2 -52.19 56.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 64.32 110.281 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 32' ' ' GLU . . . -39.71 -55.6 1.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 63.42 109.285 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 16.6 mmt -82.73 -20.14 36.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 65.32 110.968 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . 40.56 39.18 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 74.54 109.302 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.67 145.17 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 63.41 109.258 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.511 1.132 . . . . 62.14 111.006 179.97 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 110.287 -0.264 . . . . 71.02 110.287 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -75.72 -142.25 1.06 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.474 1.109 . . . . 64.01 111.018 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -71.88 104.86 3.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 0.745 . . . . 63.03 109.328 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -45.63 97.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.963 -1.125 . . . . 74.5 107.963 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.502 ' OG1' HG23 ' A' ' 10' ' ' THR . 31.2 m -128.06 113.7 16.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.102 . . . . 65.35 110.348 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -111.66 106.47 15.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 73.34 110.973 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.5 t30 49.21 55.0 9.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 75.04 109.299 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 93.21 -69.0 1.6 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.524 1.14 . . . . 61.31 111.02 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.59 ' CG2' ' CE1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -40.3 145.39 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 72.0 109.321 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.502 HG23 ' OG1' ' A' ' 5' ' ' THR . 0.2 OUTLIER -121.05 115.24 22.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 74.55 110.427 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.59 ' CE1' ' CG2' ' A' ' 9' ' ' ILE . 7.8 m-30 -93.22 86.85 5.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 73.45 111.013 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -65.64 148.67 51.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 73.14 110.338 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 176.38 152.01 9.33 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.508 1.13 . . . . 73.5 110.952 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -127.38 -68.45 0.15 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.024 -0.83 . . . . 74.22 111.024 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -96.13 98.64 2.23 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.011 -0.835 . . . . 71.01 111.011 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.29 153.77 3.5 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.021 -0.832 . . . . 75.3 111.021 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -130.55 -61.87 0.1 OUTLIER Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.014 -0.834 . . . . 73.04 111.014 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -83.06 -170.86 46.69 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.985 -0.846 . . . . 61.25 110.985 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 72.93 -141.56 30.57 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.031 -0.828 . . . . 64.41 111.031 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -79.74 -86.35 0.57 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.026 -0.83 . . . . 73.15 111.026 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.498 ' O ' ' CB ' ' A' ' 25' ' ' ALA . 0.7 OUTLIER 57.4 51.72 9.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 0.797 . . . . 74.01 109.981 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.54 -31.62 36.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 73.51 109.29 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -99.03 -19.49 17.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 74.45 109.322 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -90.13 -14.93 32.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 73.14 110.322 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 21' ' ' SER . . . -94.53 15.15 18.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 71.4 109.325 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.614 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -126.41 -43.34 1.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 72.44 110.968 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.505 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -75.51 -6.08 48.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 72.2 109.287 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -84.4 -36.99 22.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 61.4 109.317 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 32' ' ' GLU . 29.2 mtt85 -84.03 -43.39 15.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 74.44 110.344 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.559 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -37.78 -52.06 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 52.43 109.301 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.44 -50.96 5.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 74.31 109.31 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 29' ' ' ARG . 4.0 mt-10 -49.15 -56.23 9.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 45.41 110.32 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.2 -48.96 70.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 72.01 109.292 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 32.2 mtt -63.99 -11.59 30.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 73.22 110.98 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -99.19 151.67 20.74 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 75.51 109.338 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -40.64 -64.64 0.5 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.137 . . . . 73.44 109.311 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.479 1.112 . . . . 64.4 111.041 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.312 -0.255 . . . . 72.33 110.312 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -179.15 78.18 0.06 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.534 1.147 . . . . 43.44 110.993 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.3 109.25 16.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 0.794 . . . . 55.24 109.295 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.416 ' CH2' ' CE2' ' A' ' 11' ' ' TYR . 66.7 p-90 -128.42 128.86 45.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 74.31 107.992 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.797 HG23 ' O ' ' A' ' 9' ' ' ILE . 82.0 m -86.38 150.82 24.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 64.44 110.4 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -115.39 -62.89 1.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 74.21 111.005 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -135.02 75.84 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 74.33 109.278 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.64 -59.52 4.42 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.524 1.14 . . . . 75.04 110.997 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.797 ' O ' HG23 ' A' ' 5' ' ' THR . 1.4 pp -61.81 140.57 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 64.55 109.312 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 67.2 m -104.77 155.52 18.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 74.52 110.376 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.416 ' CE2' ' CH2' ' A' ' 4' ' ' TRP . 8.1 m-30 -106.01 128.23 53.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.452 1.095 . . . . 65.21 111.002 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -114.95 151.54 33.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 73.42 110.296 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 122.04 -108.67 1.32 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.525 1.141 . . . . 72.13 111.016 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 103.28 134.57 8.34 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.031 -0.828 . . . . 75.22 111.031 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 131.67 -88.65 0.28 Allowed Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.004 -0.839 . . . . 73.4 111.004 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -137.49 -161.36 8.89 Favored Glycine 0 CA--C 1.531 1.056 0 N-CA-C 110.994 -0.842 . . . . 71.13 110.994 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 137.17 145.42 4.95 Favored Glycine 0 CA--C 1.529 0.969 0 N-CA-C 110.991 -0.843 . . . . 74.14 110.991 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -151.63 170.31 31.13 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.035 -0.826 . . . . 71.34 111.035 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -137.47 -80.87 0.09 OUTLIER Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.978 -0.849 . . . . 71.22 110.978 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.07 -178.99 0.02 OUTLIER Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.042 -0.823 . . . . 51.41 111.042 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.427 ' OG ' ' N ' ' A' ' 24' ' ' GLU . 1.8 p -175.0 151.38 1.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 0.738 . . . . 44.02 109.989 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.87 -37.09 68.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 61.2 109.3 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.67 -21.41 38.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 72.24 109.279 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.457 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 6.7 mm-40 -72.78 -24.19 60.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 72.45 110.272 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.97 -22.01 59.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 74.3 109.339 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.606 ' CG ' ' N ' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -93.98 -51.29 4.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 75.33 111.015 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.606 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -63.56 -14.07 47.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 40.01 109.323 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.457 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 21.8 ttpt -87.23 -49.6 7.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 64.04 109.342 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.465 ' O ' ' C ' ' A' ' 30' ' ' ILE . 4.7 tpt180 -64.12 -46.71 82.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 74.31 110.286 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.564 HG13 ' CD1' ' A' ' 26' ' ' TYR . 0.9 OUTLIER -35.83 -47.34 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 72.41 109.285 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -41.45 -57.3 2.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 63.51 109.312 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.509 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 5.6 mt-10 -45.01 -56.86 4.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 74.24 110.358 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.51 -56.52 12.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 64.23 109.336 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.7 mmt -62.13 -12.39 19.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 71.01 110.992 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 32' ' ' GLU . . . -88.99 117.64 28.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 53.42 109.298 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.46 -53.1 32.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 52.44 109.268 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 O-C-N 124.548 1.155 . . . . 60.33 111.008 179.974 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.327 -0.249 . . . . 62.3 110.327 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 118.73 -163.59 13.13 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 54.41 111.031 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 5' ' ' THR . 2.9 mtpp -79.75 107.68 12.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 64.52 109.309 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.478 ' HA ' ' CE3' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -57.84 89.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 65.31 108.02 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 3' ' ' LYS . 1.7 p -129.4 126.21 38.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 45.01 110.399 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -128.04 -53.34 1.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 53.43 110.976 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -89.9 -54.33 4.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 61.34 109.262 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 179.51 -35.83 0.07 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.486 1.116 . . . . 62.44 111.038 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.442 HD11 ' HE1' ' A' ' 11' ' ' TYR . 1.0 OUTLIER -90.75 143.45 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.779 . . . . 72.04 109.277 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.7 m -73.69 138.52 44.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 62.0 110.414 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.443 ' O ' ' N ' ' A' ' 13' ' ' GLY . 8.9 m-30 -106.48 28.8 7.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 74.53 110.969 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 13' ' ' GLY . 0.2 OUTLIER -38.81 -29.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 71.2 110.269 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -174.01 131.14 1.96 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.131 . . . . 62.3 110.965 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -142.94 -155.66 6.51 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.988 -0.845 . . . . 63.25 110.988 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -170.8 153.71 21.41 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.013 -0.835 . . . . 55.32 111.013 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -130.74 -146.26 5.86 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.022 -0.831 . . . . 75.14 111.022 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -115.54 -128.54 4.39 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.001 -0.839 . . . . 45.01 111.001 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -47.51 -96.27 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.977 -0.849 . . . . 43.43 110.977 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -95.76 -167.15 34.86 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.997 -0.841 . . . . 55.5 110.997 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -177.73 163.38 31.71 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.989 -0.844 . . . . 54.1 110.989 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.8 p -58.83 -17.92 27.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 0.74 . . . . 74.32 109.966 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.01 -18.88 61.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 64.11 109.335 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.471 ' O ' ' CD2' ' A' ' 26' ' ' TYR . . . -108.09 19.84 19.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 74.1 109.294 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.422 ' CG ' ' N ' ' A' ' 25' ' ' ALA . 9.7 pt-20 -81.77 -42.29 19.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 65.13 110.268 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.422 ' N ' ' CG ' ' A' ' 24' ' ' GLU . . . -48.37 -28.08 2.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 52.5 109.281 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.613 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -93.44 -43.47 8.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 74.01 110.986 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.494 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -66.1 -11.39 48.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 74.13 109.311 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -81.59 -67.12 0.81 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 61.25 109.246 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 30' ' ' ILE . 13.1 mtm180 -51.18 -42.26 60.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 74.34 110.348 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.575 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.1 mm -37.48 -61.58 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 51.04 109.247 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.52 -53.6 4.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 62.41 109.325 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.436 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 4.9 mt-10 -47.98 -57.19 6.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 63.41 110.31 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.82 -54.81 24.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.562 1.163 . . . . 75.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 20.9 mmt -62.29 -12.2 19.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 42.33 111.015 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 32' ' ' GLU . . . -92.93 77.47 4.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 63.41 109.3 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -46.5 166.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 71.04 109.328 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.494 1.121 . . . . 65.31 110.995 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.305 -0.258 . . . . 71.12 110.305 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 108.91 -169.22 13.81 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.466 1.104 . . . . 50.52 110.957 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.4 pttt -67.55 127.75 33.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 0.771 . . . . 64.32 109.287 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 67.1 p-90 -120.54 157.74 28.8 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.996 -1.113 . . . . 62.42 107.996 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.9 p -135.63 140.67 44.73 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 71.14 110.41 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -110.92 -54.41 2.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 72.42 111.026 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -72.69 -64.39 0.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 72.14 109.293 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.652 ' O ' HG23 ' A' ' 9' ' ' ILE . . . 159.85 43.0 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.557 1.16 . . . . 64.51 110.998 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.652 HG23 ' O ' ' A' ' 8' ' ' GLY . 1.8 pp -157.74 139.08 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 0.774 . . . . 72.13 109.291 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.0 m -50.11 137.5 17.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 74.21 110.395 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.53 ' CD1' ' O ' ' A' ' 9' ' ' ILE . 12.5 m-30 -110.32 163.36 13.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 74.14 110.978 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -134.19 162.21 32.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 71.3 110.296 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -170.82 171.73 43.94 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.507 1.129 . . . . 73.33 110.962 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -143.41 174.67 23.83 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.963 -0.855 . . . . 71.32 110.963 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 127.25 -122.32 4.2 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.995 -0.842 . . . . 61.14 110.995 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -114.16 -117.01 3.25 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.02 -0.832 . . . . 72.23 111.02 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.68 -160.66 1.0 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.029 -0.828 . . . . 72.25 111.029 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.53 -124.07 0.16 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.01 -0.836 . . . . 74.21 111.01 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.25 98.28 2.32 Favored Glycine 0 CA--C 1.529 0.946 0 N-CA-C 111.005 -0.838 . . . . 41.44 111.005 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 170.4 162.88 23.48 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.996 -0.842 . . . . 74.42 110.996 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.2 p -54.16 127.0 25.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.553 0.796 . . . . 71.41 109.997 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -107.11 -50.49 3.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 74.02 109.337 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.806 ' O ' ' HB3' ' A' ' 27' ' ' ALA . . . -62.17 -21.21 64.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 71.21 109.273 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -88.32 16.57 6.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 61.31 110.281 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -131.22 -46.27 1.0 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 71.34 109.317 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.595 ' CG ' ' N ' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -92.21 -50.0 5.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 72.1 110.995 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.806 ' HB3' ' O ' ' A' ' 23' ' ' ALA . . . -65.05 -15.68 62.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 51.32 109.308 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.447 ' CG ' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -85.92 -49.19 8.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 74.52 109.299 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.455 ' O ' ' C ' ' A' ' 30' ' ' ILE . 0.2 OUTLIER -64.09 -46.02 86.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 73.13 110.334 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.518 HG13 ' CD1' ' A' ' 26' ' ' TYR . 0.9 OUTLIER -35.75 -61.93 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 63.25 109.322 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -41.45 -52.38 3.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 63.04 109.335 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 29' ' ' ARG . 5.5 mt-10 -49.98 -57.12 8.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 73.15 110.315 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.68 -57.29 9.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 72.35 109.285 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 7.2 mtt -62.6 -12.02 20.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 74.12 110.975 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -98.38 133.85 42.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 74.12 109.295 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.81 111.02 18.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 73.14 109.276 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.456 1.097 . . . . 64.4 110.974 179.992 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.315 -0.254 . . . . 71.43 110.315 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -154.12 80.18 0.19 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.446 1.091 . . . . 75.32 110.994 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.0 ptpt -137.26 146.69 45.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 0.785 . . . . 75.33 109.268 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.506 ' O ' ' CE3' ' A' ' 4' ' ' TRP . 64.9 p-90 -162.22 109.83 1.36 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.993 -1.114 . . . . 65.11 107.993 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.878 HG22 ' O ' ' A' ' 9' ' ' ILE . 59.0 p -92.57 102.08 14.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 74.25 110.375 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -57.88 -45.28 86.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 73.13 110.959 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -118.27 -60.57 1.77 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 74.12 109.339 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -172.36 32.29 0.12 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 52.45 111.019 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.878 ' O ' HG22 ' A' ' 5' ' ' THR . 0.6 OUTLIER -122.01 149.45 25.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 0.742 . . . . 71.0 109.295 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.784 ' H ' HD12 ' A' ' 9' ' ' ILE . 80.3 m -47.36 -63.55 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 51.23 110.384 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.578 ' CD1' HG13 ' A' ' 9' ' ' ILE . 4.1 m-30 55.2 31.21 16.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 74.5 110.981 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.48 ' HG2' HG22 ' A' ' 10' ' ' THR . 4.0 pt-20 -72.52 136.26 45.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 65.41 110.335 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 145.47 -79.61 0.23 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.468 1.105 . . . . 55.13 111.023 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 145.91 -168.32 27.57 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.994 -0.842 . . . . 63.22 110.994 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 151.79 -148.62 19.82 Favored Glycine 0 CA--C 1.531 1.031 0 N-CA-C 110.972 -0.851 . . . . 74.24 110.972 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 107.41 -75.32 0.22 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.029 -0.828 . . . . 71.35 111.029 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 137.2 162.58 9.39 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.983 -0.847 . . . . 35.02 110.983 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.25 72.56 1.15 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.04 -0.824 . . . . 72.42 111.04 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.61 -153.87 19.63 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.961 -0.856 . . . . 61.22 110.961 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 22' ' ' ALA . . . 135.33 159.87 8.77 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.986 -0.846 . . . . 71.11 110.986 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.436 ' CB ' ' CD ' ' A' ' 24' ' ' GLU . 13.2 p -39.08 96.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.769 . . . . 74.04 109.992 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 20' ' ' GLY . . . -125.26 -44.08 1.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 71.11 109.341 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.454 ' HB1' ' HD2' ' A' ' 26' ' ' TYR . . . -119.77 17.83 12.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 73.43 109.316 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.436 ' CD ' ' CB ' ' A' ' 21' ' ' SER . 13.0 pt-20 -74.06 -28.85 61.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 63.15 110.276 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.53 -36.59 76.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 63.24 109.281 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.637 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -81.84 -37.09 27.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 74.33 111.027 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.4 -7.31 57.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 73.45 109.306 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.597 ' CE ' ' CZ ' ' A' ' 29' ' ' ARG . 5.1 tttt -81.93 -40.92 21.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 74.21 109.319 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.597 ' CZ ' ' CE ' ' A' ' 28' ' ' LYS . 27.7 mmt180 -80.85 -41.56 22.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 74.34 110.291 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.578 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.1 mm -37.59 -52.22 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 71.42 109.26 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -48.85 -52.85 21.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 64.43 109.319 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 29' ' ' ARG . 3.8 mt-10 -47.12 -55.83 7.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 61.42 110.332 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.66 -47.33 73.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 71.13 109.26 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.0 mtt -63.41 -11.67 24.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 74.2 110.974 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -105.63 135.28 47.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 63.52 109.294 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.63 145.11 26.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 74.42 109.305 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.499 1.125 . . . . 63.21 111.006 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.334 -0.247 . . . . 73.04 110.334 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 104.87 -175.33 22.22 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.535 1.147 . . . . 74.34 111.047 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -52.64 116.52 2.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 0.738 . . . . 73.42 109.299 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.498 ' HA ' ' CE3' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -62.98 83.09 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.953 -1.129 . . . . 70.12 107.953 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.608 HG23 HG22 ' A' ' 10' ' ' THR . 1.1 p -115.84 124.07 49.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.1 . . . . 74.12 110.398 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -124.09 -59.91 1.46 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 72.04 111.028 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.82 -52.45 5.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 53.33 109.239 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -178.54 -36.71 0.06 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.566 1.166 . . . . 53.35 111.031 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -92.94 143.23 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 0.753 . . . . 75.11 109.271 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.608 HG22 HG23 ' A' ' 5' ' ' THR . 1.4 p -71.32 141.85 50.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 63.35 110.382 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.419 ' O ' ' C ' ' A' ' 12' ' ' GLU . 9.1 m-30 -108.73 5.89 25.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 73.04 111.024 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -37.43 150.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 64.24 110.312 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -176.82 116.4 0.55 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.513 1.133 . . . . 64.23 110.975 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -111.63 -65.68 0.51 Allowed Glycine 0 CA--C 1.531 1.046 0 N-CA-C 111.015 -0.834 . . . . 72.23 111.015 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 119.75 -88.99 0.44 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.012 -0.835 . . . . 62.13 111.012 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -41.99 -71.76 0.34 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.995 -0.842 . . . . 74.23 110.995 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.08 119.02 11.01 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.01 -0.836 . . . . 33.22 111.01 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.03 124.24 5.2 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.98 -0.848 . . . . 60.02 110.98 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 158.46 179.91 33.66 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.974 -0.85 . . . . 71.14 110.974 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -161.11 94.22 0.13 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.003 -0.839 . . . . 50.22 111.003 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.411 ' HA ' ' CD ' ' A' ' 24' ' ' GLU . 56.2 m -119.87 36.08 4.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 0.775 . . . . 60.02 109.998 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.565 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -94.89 105.62 17.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 64.11 109.275 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.565 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 74.95 28.59 1.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 73.24 109.293 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.412 ' CG ' ' N ' ' A' ' 25' ' ' ALA . 11.1 pt-20 -94.81 -41.49 9.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.483 1.115 . . . . 70.13 110.285 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.412 ' N ' ' CG ' ' A' ' 24' ' ' GLU . . . -114.05 -51.2 2.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 41.43 109.298 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.607 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -52.96 -45.81 67.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 74.34 111.019 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.534 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -69.01 -15.6 63.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 41.33 109.331 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.83 -50.84 7.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 74.51 109.338 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.453 ' O ' ' C ' ' A' ' 30' ' ' ILE . 19.2 mtm180 -65.77 -41.36 92.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 75.14 110.276 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.569 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -36.82 -55.2 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 75.44 109.283 -179.913 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.6 -52.91 16.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 71.03 109.301 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.594 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 3.9 mt-10 -49.05 -55.94 10.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 75.15 110.349 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.83 -54.55 27.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 70.34 109.295 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 8.3 mmt -62.21 -12.23 19.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 64.42 110.985 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.594 ' HB3' ' O ' ' A' ' 32' ' ' GLU . . . -85.76 -59.23 2.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 60.41 109.255 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.42 121.22 14.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 73.34 109.334 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.531 1.144 . . . . 42.21 111.007 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.331 -0.248 . . . . 74.5 110.331 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -118.55 97.26 0.7 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 61.0 111.016 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.61 140.62 30.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 0.74 . . . . 63.43 109.299 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.423 ' CE3' ' O ' ' A' ' 4' ' ' TRP . 62.3 p-90 -142.71 117.71 10.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 70.24 107.991 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 54.7 m -77.16 149.3 35.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 34.12 110.38 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -123.52 -56.23 1.71 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 75.44 110.956 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -125.91 47.81 2.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 52.01 109.298 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.0 -45.6 3.5 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.497 1.123 . . . . 24.41 110.965 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.437 HD13 ' HA ' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -60.31 136.21 24.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.55 0.794 . . . . 52.05 109.272 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.7 m -83.97 127.02 33.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 73.53 110.425 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.0 m-30 -96.66 115.32 27.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 74.12 110.992 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -110.52 138.57 46.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 71.15 110.29 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.43 -178.72 51.44 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 65.01 111.005 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 57.91 85.78 0.03 OUTLIER Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.02 -0.832 . . . . 73.14 111.02 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -101.97 -80.88 1.52 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.996 -0.842 . . . . 54.2 110.996 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -103.56 114.06 4.69 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 111.022 -0.831 . . . . 62.41 111.022 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.32 -171.16 25.23 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.983 -0.847 . . . . 34.54 110.983 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 175.85 -108.8 0.27 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.962 -0.855 . . . . 60.33 110.962 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 173.66 150.34 7.48 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.973 -0.851 . . . . 74.44 110.973 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 58.57 179.41 1.11 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.996 -0.841 . . . . 73.21 110.996 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.39 38.28 0.93 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 0.765 . . . . 74.31 110.003 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.76 -20.19 43.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 53.55 109.289 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.422 ' O ' ' CD2' ' A' ' 26' ' ' TYR . . . -113.68 18.7 17.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 60.14 109.263 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 28' ' ' LYS . 9.6 pt-20 -83.24 -31.51 26.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 70.41 110.321 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.05 -34.42 68.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 72.24 109.312 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.638 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -82.9 -38.84 22.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 74.31 111.016 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.437 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -77.2 -7.62 56.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 64.43 109.291 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.42 ' HD3' ' CZ ' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -82.36 -41.75 19.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.442 1.089 . . . . 74.32 109.294 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 30' ' ' ILE . 28.3 mmt180 -79.76 -41.46 26.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 74.11 110.278 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.586 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.1 mm -37.61 -60.73 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 52.14 109.311 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 30' ' ' ILE . . . -40.51 -55.17 2.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 64.33 109.283 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -45.49 -57.11 4.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 74.35 110.323 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.6 -39.23 70.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 71.3 109.318 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 16.8 mmt -88.17 19.74 3.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 64.42 111.002 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -131.84 70.85 1.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 72.01 109.305 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.63 -20.89 13.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 73.2 109.295 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 O-C-N 124.471 1.107 . . . . 43.21 110.989 -179.967 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.299 -0.26 . . . . 62.23 110.299 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 116.97 105.56 2.39 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.506 1.129 . . . . 54.11 110.988 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.436 ' HG3' ' CB ' ' A' ' 12' ' ' GLU . 4.1 mmtt -91.44 176.39 6.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 0.771 . . . . 64.23 109.294 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.58 ' O ' ' CE3' ' A' ' 4' ' ' TRP . 37.1 p-90 -170.77 115.08 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.981 -1.118 . . . . 75.12 107.981 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.944 HG23 ' O ' ' A' ' 9' ' ' ILE . 12.7 m -62.2 146.88 49.52 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 65.22 110.405 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.544 ' O ' ' CG ' ' A' ' 6' ' ' TYR . 6.1 t80 -127.08 69.0 1.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 73.42 111.031 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.406 ' CB ' ' O ' ' A' ' 6' ' ' TYR . 4.1 t-20 74.95 43.57 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 34.52 109.319 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.45 -43.08 1.75 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.481 1.113 . . . . 65.21 110.972 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.944 ' O ' HG23 ' A' ' 5' ' ' THR . 0.2 OUTLIER -46.06 170.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 74.35 109.271 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.726 HG22 ' HB3' ' A' ' 12' ' ' GLU . 12.2 m -122.17 -39.68 2.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 75.43 110.391 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.743 ' CE1' HG21 ' A' ' 9' ' ' ILE . 10.8 m-30 47.95 33.18 3.21 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.517 1.136 . . . . 73.15 110.993 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.726 ' HB3' HG22 ' A' ' 10' ' ' THR . 24.1 tt0 -102.26 -18.48 15.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 62.14 110.325 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.3 103.86 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.504 1.128 . . . . 42.01 111.013 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 47.58 -148.12 3.63 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.968 -0.853 . . . . 52.14 110.968 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.29 -71.89 1.07 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.983 -0.847 . . . . 74.21 110.983 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -150.2 -73.57 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.033 -0.827 . . . . 73.2 111.033 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -115.27 -70.84 0.49 Allowed Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.017 -0.833 . . . . 64.41 111.017 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -152.27 -168.97 17.13 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.024 -0.83 . . . . 74.42 111.024 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.93 104.27 3.14 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.976 -0.849 . . . . 72.24 110.976 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -111.32 -81.78 1.2 Allowed Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.968 -0.853 . . . . 65.24 110.968 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.18 84.2 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 0.777 . . . . 63.33 109.965 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.637 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -66.88 -56.17 11.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 63.41 109.274 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 26' ' ' TYR . . . -52.29 -61.73 2.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 73.34 109.285 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -42.98 -39.25 2.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 52.44 110.303 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.637 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . -55.3 -43.97 75.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 75.1 109.285 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.638 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -67.51 -36.9 81.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 61.31 110.981 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 30' ' ' ILE . . . -64.58 -73.97 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 62.05 109.283 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -39.74 -39.33 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 74.03 109.261 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 30' ' ' ILE . 0.3 OUTLIER -66.7 -48.88 67.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 72.54 110.287 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.57 HG13 ' CD1' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -39.72 -54.12 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 61.34 109.305 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.93 -52.06 15.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 71.02 109.31 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.575 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 3.6 mt-10 -48.97 -56.81 7.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 62.2 110.286 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.97 -54.53 28.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 64.21 109.353 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 12.8 mmt -62.32 -12.19 19.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 62.43 111.008 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.575 ' HB3' ' O ' ' A' ' 32' ' ' GLU . . . -85.62 128.81 34.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.165 . . . . 21.14 109.296 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.5 mttt 67.21 41.66 2.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 60.12 109.261 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.492 1.12 . . . . 73.43 111.004 179.981 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.292 -0.262 . . . . 71.01 110.292 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -97.05 -64.25 0.91 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.499 1.124 . . . . 65.32 110.985 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.95 139.44 57.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 73.23 109.329 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.56 ' CZ3' ' HB2' ' A' ' 6' ' ' TYR . 67.8 p-90 -133.34 115.51 14.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 62.54 108.034 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.3 p -59.36 123.76 17.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 55.41 110.438 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.56 ' HB2' ' CZ3' ' A' ' 4' ' ' TRP . 8.0 t80 -102.74 -66.96 0.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 75.32 110.996 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.542 ' HB2' ' CE2' ' A' ' 6' ' ' TYR . 6.3 t-20 -132.26 63.68 1.62 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 73.03 109.318 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 64.02 31.34 80.48 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.486 1.116 . . . . 74.15 110.971 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.403 HD11 ' HD2' ' A' ' 6' ' ' TYR . 1.5 pp -142.38 141.64 28.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.769 . . . . 73.21 109.299 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 26.4 m -101.33 151.96 21.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 75.54 110.4 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.3 m-30 -103.18 33.1 3.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 61.53 111.002 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -90.89 32.62 0.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 75.51 110.349 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.19 -75.09 0.84 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.502 1.126 . . . . 64.41 110.955 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 130.13 114.16 1.67 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.003 -0.839 . . . . 41.42 111.003 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.66 140.99 8.02 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.012 -0.835 . . . . 54.2 111.012 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -154.17 171.1 32.75 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.995 -0.842 . . . . 72.12 110.995 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 59.69 -131.58 50.91 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.989 -0.844 . . . . 54.42 110.989 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -164.6 -145.35 4.36 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.987 -0.845 . . . . 43.34 110.987 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -92.02 169.93 32.69 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 111.043 -0.823 . . . . 73.25 111.043 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 43.84 -106.48 0.1 OUTLIER Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.002 -0.839 . . . . 52.42 111.002 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.3 m -72.32 71.21 0.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 0.746 . . . . 73.2 109.956 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.65 92.39 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 52.15 109.281 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 55.11 24.97 6.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 62.55 109.245 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -95.13 19.44 10.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 75.04 110.309 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -117.03 -39.05 3.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 51.34 109.319 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.628 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -85.59 -42.42 14.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 64.52 111.039 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.46 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -66.81 -11.56 55.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 60.1 109.312 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -80.63 -67.46 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 71.22 109.337 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 32' ' ' GLU . 29.5 mtt180 -51.05 -42.75 60.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 75.43 110.293 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.58 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.1 mm -37.02 -34.12 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 71.14 109.292 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 29' ' ' ARG . . . -54.24 -56.6 16.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 70.25 109.29 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.562 ' CG ' ' N ' ' A' ' 33' ' ' ALA . 7.6 pt-20 -53.45 -49.66 66.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 64.44 110.318 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.562 ' N ' ' CG ' ' A' ' 32' ' ' GLU . . . -50.48 -56.33 12.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.112 . . . . 62.34 109.304 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.1 mtt -62.5 -13.14 27.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 72.04 111.048 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -102.54 159.11 15.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 61.24 109.272 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.9 mtmm -94.42 165.97 12.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 73.11 109.301 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.462 1.101 . . . . 61.45 111.041 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.335 -0.246 . . . . 71.31 110.335 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -121.3 -101.0 1.73 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.448 1.093 . . . . 72.55 111.008 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -89.28 124.65 34.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.765 . . . . 74.3 109.275 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.35 63.41 2.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 63.51 107.996 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.5 m -92.79 123.95 36.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.153 . . . . 73.3 110.448 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.528 ' O ' ' CG ' ' A' ' 6' ' ' TYR . 23.8 t80 -125.81 77.3 1.65 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 62.53 110.991 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 50.1 m-20 40.84 54.99 3.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.103 . . . . 73.11 109.357 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 170.47 -127.09 1.41 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.444 1.09 . . . . 72.15 110.965 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.4 pp -96.84 135.39 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 74.42 109.325 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 53.2 m -62.44 148.77 44.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 55.45 110.38 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.7 m-30 -113.32 90.44 3.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 73.41 111.017 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.65 145.09 16.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 73.03 110.273 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -120.3 -146.61 7.69 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.501 1.126 . . . . 74.25 111.05 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -86.78 112.13 3.74 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.996 -0.842 . . . . 65.11 110.996 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -174.31 -141.56 3.65 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.011 -0.836 . . . . 70.35 111.011 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.09 -104.49 0.02 OUTLIER Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.028 -0.829 . . . . 74.12 111.028 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -142.59 -71.88 0.03 OUTLIER Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.99 -0.844 . . . . 75.43 110.99 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 124.85 128.05 3.21 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.041 -0.824 . . . . 71.14 111.041 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 162.19 -172.96 38.43 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.008 -0.837 . . . . 43.13 111.008 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 151.01 82.2 0.04 OUTLIER Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.023 -0.831 . . . . 63.21 111.023 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.1 p -96.23 96.94 9.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 0.753 . . . . 71.35 110.012 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.04 -64.29 1.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 62.22 109.288 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -101.67 15.7 28.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 73.34 109.332 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -104.63 -17.14 14.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 63.34 110.303 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.471 ' HA ' ' CD ' ' A' ' 28' ' ' LYS . . . -104.16 15.03 29.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 51.33 109.277 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.603 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -113.7 -48.42 2.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 72.43 111.006 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.569 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -70.59 -7.6 45.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 42.24 109.344 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.471 ' CD ' ' HA ' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -87.65 -44.51 11.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 72.51 109.334 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 31' ' ' ALA . 58.8 mtt180 -74.6 -41.9 59.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 53.15 110.318 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.561 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -37.4 -33.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 75.24 109.32 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 29' ' ' ARG . . . -49.75 -57.6 6.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 74.35 109.307 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.552 ' CG ' ' N ' ' A' ' 33' ' ' ALA . 5.9 pt-20 -57.25 -49.57 75.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 72.41 110.274 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.552 ' N ' ' CG ' ' A' ' 32' ' ' GLU . . . -47.26 -66.23 0.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 75.41 109.316 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 9.1 mmm -58.86 -14.77 9.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 65.31 111.0 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.401 ' HB3' ' HA ' ' A' ' 32' ' ' GLU . . . -91.53 138.92 31.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 63.42 109.305 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 35' ' ' ALA . 35.2 mtmm -40.48 155.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 72.42 109.263 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 44.22 111.007 179.978 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.273 -0.269 . . . . 62.55 110.273 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 154.63 -63.23 0.35 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.483 1.114 . . . . 51.41 111.012 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -100.46 124.03 45.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 0.736 . . . . 73.4 109.311 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.487 ' CB ' ' HB2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -48.66 -76.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.995 -1.113 . . . . 75.5 107.995 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.438 ' OG1' HG22 ' A' ' 10' ' ' THR . 4.6 m 53.21 48.21 22.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 52.11 110.366 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -66.89 -65.37 0.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 70.54 110.98 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -102.56 38.25 1.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 63.01 109.317 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.48 -33.4 4.36 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.498 1.124 . . . . 22.32 110.998 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.447 HD13 ' HA ' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -82.19 142.16 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 63.44 109.253 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.438 HG22 ' OG1' ' A' ' 5' ' ' THR . 1.0 OUTLIER -90.48 131.58 36.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 71.14 110.391 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.487 ' HB2' ' CB ' ' A' ' 4' ' ' TRP . 8.3 m-30 -100.93 79.14 2.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 74.13 111.031 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -65.29 -21.81 66.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 62.3 110.34 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 150.11 151.93 5.66 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.447 1.092 . . . . 34.44 111.026 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.17 -118.17 4.57 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.041 -0.824 . . . . 72.34 111.041 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 38.88 92.14 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.995 -0.842 . . . . 74.32 110.995 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.28 -126.78 8.88 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 111.007 -0.837 . . . . 72.23 111.007 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 138.37 131.45 2.89 Favored Glycine 0 CA--C 1.531 1.058 0 N-CA-C 110.968 -0.853 . . . . 74.05 110.968 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 122.2 -150.65 16.96 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.986 -0.846 . . . . 73.43 110.986 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.19 -151.82 0.34 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.018 -0.833 . . . . 62.4 111.018 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.0 66.31 0.58 Allowed Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.016 -0.834 . . . . 71.51 111.016 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.5 p 49.47 29.48 2.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 0.768 . . . . 74.14 110.012 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.57 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -88.24 96.27 10.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 73.41 109.253 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.842 ' HB1' ' CD2' ' A' ' 26' ' ' TYR . . . 75.02 26.44 1.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 61.15 109.287 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 28' ' ' LYS . 2.1 pt-20 -63.18 -33.79 76.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 74.52 110.307 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.98 -54.15 42.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 64.15 109.297 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.842 ' CD2' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -74.89 -33.67 62.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 63.53 110.985 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.01 -0.05 29.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 64.53 109.259 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 24' ' ' GLU . 2.8 tttp -87.8 -42.49 12.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 72.5 109.302 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 32' ' ' GLU . 22.0 mmt180 -79.66 -41.01 27.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 74.21 110.304 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.551 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.2 mm -37.64 -51.31 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 71.23 109.333 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.01 -52.14 45.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 64.32 109.277 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 29' ' ' ARG . 3.2 mt-10 -48.08 -56.05 8.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 63.32 110.309 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.99 -48.59 70.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 65.34 109.282 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 45.5 mmm -64.23 -11.56 32.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 75.22 111.028 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -100.53 97.34 8.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 72.2 109.321 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -45.7 -65.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 72.13 109.284 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.509 1.131 . . . . 63.52 111.028 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.282 -0.266 . . . . 71.44 110.282 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 100.35 -75.8 0.43 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.537 1.148 . . . . 45.13 110.956 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 5' ' ' THR . 0.1 OUTLIER -65.67 106.27 1.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 0.78 . . . . 73.33 109.274 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.434 ' O ' ' HA ' ' A' ' 10' ' ' THR . 0.0 OUTLIER -55.35 91.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.98 -1.119 . . . . 65.01 107.98 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 3' ' ' LYS . 63.8 m -122.25 134.61 54.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 74.43 110.401 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.536 ' O ' ' CG ' ' A' ' 6' ' ' TYR . 24.1 t80 -131.68 66.73 1.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 74.44 110.969 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 43.41 54.08 5.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 71.43 109.286 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -179.5 -122.37 0.77 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.517 1.135 . . . . 63.51 110.985 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.402 ' O ' ' CE1' ' A' ' 11' ' ' TYR . 1.5 pp -101.39 133.98 43.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.473 0.749 . . . . 73.52 109.324 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.434 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 52.8 m -65.15 150.08 48.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 64.1 110.408 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.402 ' CE1' ' O ' ' A' ' 9' ' ' ILE . 16.8 m-30 -112.91 85.14 2.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 75.34 111.008 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -66.79 -26.02 66.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 74.22 110.308 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 58.04 113.52 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.483 1.114 . . . . 54.12 111.011 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 102.93 -131.14 10.5 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.02 -0.832 . . . . 54.44 111.02 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -152.6 -66.71 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.01 -0.836 . . . . 42.41 111.01 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -42.12 154.86 0.12 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.992 -0.843 . . . . 61.41 110.992 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 137.33 160.73 8.68 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.002 -0.839 . . . . 64.31 111.002 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 73.85 134.46 0.28 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.023 -0.831 . . . . 62.12 111.023 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 164.56 -66.42 0.22 Allowed Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.027 -0.829 . . . . 42.42 111.027 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -125.57 -155.91 9.16 Favored Glycine 0 CA--C 1.529 0.947 0 N-CA-C 111.011 -0.835 . . . . 52.12 111.011 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.6 m -96.74 104.35 16.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 71.44 110.011 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.55 -63.95 1.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 73.23 109.275 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -108.78 18.94 20.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 63.24 109.291 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -112.63 155.18 24.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 65.44 110.284 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 60.52 24.95 14.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 75.3 109.3 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.589 ' CD1' HG13 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -133.41 -50.38 0.86 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 72.23 110.974 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.575 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -66.3 -10.7 45.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 64.14 109.302 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.448 ' CG ' ' N ' ' A' ' 29' ' ' ARG . 14.9 ptmt -87.74 -52.22 5.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 62.25 109.344 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.452 ' O ' ' C ' ' A' ' 30' ' ' ILE . 46.0 mtt180 -65.3 -42.72 92.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 75.22 110.29 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.589 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -36.52 -48.64 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 63.11 109.305 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.5 -55.84 6.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 73.32 109.333 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.549 ' CG ' ' N ' ' A' ' 33' ' ' ALA . 0.9 OUTLIER -49.97 -49.16 51.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 74.2 110.268 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.549 ' N ' ' CG ' ' A' ' 32' ' ' GLU . . . -54.61 -55.2 31.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 42.15 109.333 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -61.65 -12.6 16.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 63.01 111.005 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 32' ' ' GLU . . . -88.48 77.27 8.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 54.44 109.307 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.99 139.75 15.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 74.14 109.285 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.505 1.128 . . . . 65.4 111.019 179.991 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.304 -0.258 . . . . 74.34 110.304 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -131.51 -55.97 0.09 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.476 1.11 . . . . 64.43 110.987 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.63 115.78 0.61 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 0.794 . . . . 74.31 109.279 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.586 ' O ' ' CE3' ' A' ' 4' ' ' TRP . 59.7 p-90 -108.29 107.25 17.77 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.569 1.168 . . . . 74.21 107.977 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.75 141.84 55.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 72.12 110.38 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -123.29 88.92 3.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 75.04 111.02 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 64.74 48.83 2.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 25.43 109.309 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 9' ' ' ILE . . . 97.01 -58.7 1.2 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.533 1.146 . . . . 70.11 111.047 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.614 ' CG2' ' CE1' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -39.58 133.49 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.482 0.754 . . . . 65.23 109.318 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -104.57 119.18 38.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.137 . . . . 64.3 110.428 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.614 ' CE1' ' CG2' ' A' ' 9' ' ' ILE . 4.1 m-30 -103.7 91.82 4.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 65.44 111.007 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 6.8 tt0 -90.97 32.99 0.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 62.42 110.283 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.28 -139.99 30.18 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.5 1.125 . . . . 63.55 110.983 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 48.27 98.79 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.929 -0.869 . . . . 73.03 110.929 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 134.82 85.64 0.22 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.99 -0.844 . . . . 50.13 110.99 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -121.22 111.99 2.0 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.999 -0.84 . . . . 14.43 110.999 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -168.47 66.58 0.18 Allowed Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.046 -0.821 . . . . 71.12 111.046 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -130.67 -155.67 8.34 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.011 -0.836 . . . . 22.2 111.011 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.93 -123.82 8.02 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.971 -0.852 . . . . 41.53 110.971 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.62 -63.53 1.55 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.986 -0.846 . . . . 53.12 110.986 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.78 ' HB3' ' HB2' ' A' ' 25' ' ' ALA . 0.9 OUTLIER 41.93 46.97 3.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 34.14 110.001 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.02 96.26 1.03 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 73.44 109.337 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 66.05 24.99 10.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 75.35 109.317 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 28' ' ' LYS . 11.8 mt-10 -116.24 -44.6 2.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 71.03 110.295 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.78 ' HB2' ' HB3' ' A' ' 21' ' ' SER . . . -54.77 -28.6 50.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 74.43 109.299 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.618 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -86.17 -42.12 14.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 74.03 111.037 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.481 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -75.29 -7.72 54.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 21.42 109.299 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 24' ' ' GLU . 0.1 OUTLIER -82.04 -43.75 17.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 75.2 109.292 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 30' ' ' ILE . 17.5 mmt-85 -78.08 -41.24 36.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 74.22 110.303 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.586 HG13 ' CD1' ' A' ' 26' ' ' TYR . 1.1 mm -37.84 -37.72 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 64.43 109.323 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.524 ' O ' ' HB2' ' A' ' 35' ' ' ALA . . . -40.33 -56.65 1.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 40.14 109.271 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.54 ' CG ' ' N ' ' A' ' 33' ' ' ALA . 8.9 pt-20 -50.82 -49.56 58.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.098 . . . . 70.45 110.31 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.54 ' N ' ' CG ' ' A' ' 32' ' ' GLU . . . -57.72 -70.39 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 53.33 109.312 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 10.5 ptm -53.08 -18.94 2.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 64.04 111.029 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.524 ' HB2' ' O ' ' A' ' 31' ' ' ALA . . . -78.21 -45.38 23.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 74.42 109.316 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt 40.28 51.44 2.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 63.0 109.273 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.538 1.149 . . . . 32.52 111.004 179.949 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.32 -0.252 . . . . 75.33 110.32 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 146.14 134.57 2.66 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.465 1.103 . . . . 54.44 111.045 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.78 88.95 3.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 54.44 109.279 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.46 ' CE3' ' O ' ' A' ' 4' ' ' TRP . 64.3 p-90 -86.4 110.29 19.61 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.962 -1.125 . . . . 75.33 107.962 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.1 m -61.6 150.7 35.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 62.02 110.417 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -175.14 135.07 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 75.15 110.954 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.9 t30 71.01 43.05 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 63.12 109.328 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.819 ' O ' HG23 ' A' ' 9' ' ' ILE . . . 50.43 39.25 36.18 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.521 1.138 . . . . 33.3 110.984 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.819 HG23 ' O ' ' A' ' 8' ' ' GLY . 1.2 pp -163.21 144.91 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 0.784 . . . . 73.44 109.309 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.6 m -96.71 161.45 13.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 62.2 110.379 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.428 ' CE2' ' CH2' ' A' ' 4' ' ' TRP . 10.9 m-30 -111.06 108.47 18.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 72.52 110.98 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -76.92 -16.97 59.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 62.03 110.26 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 158.61 75.64 0.02 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.512 1.133 . . . . 71.23 111.01 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.65 150.69 45.2 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.032 -0.827 . . . . 61.01 111.032 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 128.79 62.9 0.11 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.987 -0.845 . . . . 74.43 110.987 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -138.22 63.68 0.56 Allowed Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.028 -0.829 . . . . 52.05 111.028 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -111.02 71.35 0.21 Allowed Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.963 -0.855 . . . . 75.54 110.963 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.31 132.33 2.7 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.023 -0.831 . . . . 52.15 111.023 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.21 -57.85 1.84 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.008 -0.837 . . . . 72.34 111.008 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -40.17 -73.93 0.16 Allowed Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.011 -0.836 . . . . 34.43 111.011 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.7 p 59.28 43.58 16.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 0.769 . . . . 74.43 110.021 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.21 -76.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 70.01 109.261 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -134.97 33.0 3.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 74.4 109.286 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -101.79 -24.65 14.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 73.43 110.274 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.18 -25.58 39.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 42.33 109.293 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.627 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -82.93 -38.55 22.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 65.21 110.953 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.423 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -66.48 -66.95 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 64.42 109.308 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -40.04 -42.93 1.49 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 73.25 109.324 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 30' ' ' ILE . 7.3 tpt180 -66.17 -51.67 55.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 74.11 110.274 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.565 HG13 ' CD1' ' A' ' 26' ' ' TYR . 0.8 OUTLIER -37.76 -56.5 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 75.23 109.302 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -43.19 -52.12 5.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 65.44 109.3 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 29' ' ' ARG . 3.3 mt-10 -51.13 -54.55 24.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 72.22 110.284 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.12 -52.55 50.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 74.42 109.363 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.5 mmt -62.01 -12.57 19.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 64.4 110.988 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -105.14 70.05 0.88 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 72.4 109.273 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.25 148.2 47.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 73.43 109.341 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.939 0 O-C-N 124.523 1.139 . . . . 52.54 110.999 -179.97 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.322 -0.251 . . . . 71.41 110.322 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -52.49 -88.46 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.498 1.124 . . . . 61.22 110.995 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 33.1 mtmt -44.09 111.42 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 0.735 . . . . 54.33 109.311 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.575 ' CH2' ' HB2' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -88.75 81.17 7.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 71.11 108.015 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.434 ' O ' ' CZ3' ' A' ' 4' ' ' TRP . 91.2 m -92.45 138.34 31.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 71.05 110.41 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.575 ' HB2' ' CH2' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -108.96 -64.01 1.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 73.32 110.992 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.52 ' N ' ' CG ' ' A' ' 6' ' ' TYR . 7.2 t-20 -130.92 66.83 1.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 73.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.41 -52.97 3.86 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.434 1.084 . . . . 72.31 111.021 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.2 pp -62.05 142.52 16.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 0.752 . . . . 75.13 109.298 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.2 m -105.15 151.77 23.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 74.31 110.396 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.469 ' CD2' ' NE1' ' A' ' 4' ' ' TRP . 7.1 m-30 -103.12 30.98 4.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 73.34 111.046 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.67 148.21 0.25 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 72.4 110.358 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.08 99.53 2.19 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.129 . . . . 72.44 110.989 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 111.22 -159.46 13.76 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.996 -0.841 . . . . 73.43 110.996 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 126.96 -95.8 0.44 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.022 -0.831 . . . . 74.45 111.022 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 17' ' ' GLY . . . -76.31 -153.12 4.61 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.017 -0.833 . . . . 75.14 111.017 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 16' ' ' GLY . . . -37.9 115.17 0.35 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.014 -0.835 . . . . 43.31 111.014 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -91.13 160.03 26.85 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.02 -0.832 . . . . 75.32 111.02 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -174.15 -67.5 0.05 OUTLIER Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.97 -0.852 . . . . 74.21 110.97 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 116.07 50.35 0.43 Allowed Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.982 -0.847 . . . . 55.52 110.982 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.404 ' CB ' ' CD ' ' A' ' 24' ' ' GLU . 0.1 OUTLIER -69.02 72.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 70.04 109.959 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.555 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -97.66 107.98 20.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 74.4 109.271 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.639 ' HB1' ' CE2' ' A' ' 26' ' ' TYR . . . 74.94 25.09 1.45 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 51.41 109.268 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 28' ' ' LYS . 9.7 pt-20 -71.77 -27.2 62.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 74.32 110.281 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.87 -47.16 60.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 64.23 109.309 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.662 ' CD1' ' N ' ' A' ' 27' ' ' ALA . 0.1 OUTLIER -82.14 -44.47 16.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 54.2 110.98 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.662 ' N ' ' CD1' ' A' ' 26' ' ' TYR . . . -61.66 -15.0 36.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 51.14 109.288 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 24' ' ' GLU . 0.2 OUTLIER -63.53 -54.4 36.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 52.52 109.321 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -67.95 -43.13 79.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 60.14 110.322 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' A' ' 29' ' ' ARG . 18.1 mm -37.5 -54.52 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 72.1 109.296 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.13 -53.9 9.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 70.45 109.357 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 29' ' ' ARG . 2.7 mt-10 -44.77 -54.37 6.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 64.23 110.336 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.55 -51.93 66.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 50.4 109.313 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 66.7 mmm -62.45 -12.08 19.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 64.34 110.999 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -96.04 141.37 29.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 72.43 109.257 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -40.56 -62.95 0.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 72.53 109.32 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.528 1.143 . . . . 75.43 111.001 179.961 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.303 -0.258 . . . . 74.01 110.303 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 124.0 -142.7 14.39 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.509 1.131 . . . . 73.22 111.004 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.17 104.71 13.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 0.794 . . . . 71.33 109.288 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.59 ' CE3' ' O ' ' A' ' 4' ' ' TRP . 66.4 p-90 -100.43 96.12 7.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 73.5 107.977 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 m -61.75 139.76 58.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 71.04 110.405 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -128.11 99.92 5.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 73.22 111.023 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.7 m120 61.33 49.59 5.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 72.3 109.336 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 9' ' ' ILE . . . 89.98 -55.49 3.68 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.534 1.146 . . . . 41.44 111.041 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.548 HG23 ' CE1' ' A' ' 11' ' ' TYR . 0.6 OUTLIER -39.1 131.96 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 0.746 . . . . 63.5 109.265 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -103.68 118.94 37.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 73.45 110.324 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.548 ' CE1' HG23 ' A' ' 9' ' ' ILE . 6.0 m-30 -105.18 119.03 38.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 75.31 111.026 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.97 161.03 31.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 73.33 110.283 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.32 124.52 6.57 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.545 1.153 . . . . 62.11 110.976 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -161.06 -102.11 0.17 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.967 -0.853 . . . . 71.22 110.967 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 121.3 159.96 10.88 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.022 -0.831 . . . . 65.03 111.022 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 96.45 -127.22 9.1 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.015 -0.834 . . . . 60.02 111.015 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -56.28 -171.53 0.13 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.03 -0.828 . . . . 53.13 111.03 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 119.23 65.86 0.29 Allowed Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.003 -0.839 . . . . 65.35 111.003 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -159.4 138.81 5.82 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.026 -0.83 . . . . 75.44 111.026 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 152.0 -143.06 9.97 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.027 -0.829 . . . . 64.03 111.027 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.0 m -99.48 30.08 3.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 0.743 . . . . 73.35 109.963 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.442 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -90.03 105.01 17.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 72.44 109.262 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 68.27 25.0 7.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 74.13 109.321 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -124.45 -39.38 2.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 73.42 110.271 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.413 ' O ' ' CZ ' ' A' ' 29' ' ' ARG . . . -99.59 -24.8 14.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 54.34 109.304 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.684 ' CG ' ' N ' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -97.49 -58.27 2.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 64.21 111.018 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.684 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -50.44 -21.67 1.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 63.15 109.329 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.409 ' N ' ' C ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -75.09 -44.93 44.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 72.23 109.3 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 30' ' ' ILE . 4.0 mtt85 -65.47 -46.35 80.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 74.11 110.27 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.633 HG13 ' CE1' ' A' ' 26' ' ' TYR . 8.8 mm -37.07 -59.99 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 63.34 109.303 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 35' ' ' ALA . . . -40.69 -54.24 2.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 71.14 109.317 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -46.72 -57.36 4.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 64.31 110.277 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.87 -54.04 40.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 1.099 . . . . 53.43 109.287 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 10.0 mmt -65.08 -11.55 40.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 74.24 110.966 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -96.59 103.77 15.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 73.33 109.293 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.75 129.36 34.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 64.41 109.318 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.49 1.119 . . . . 75.33 111.023 -179.972 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.9 ptp180 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.29 -0.263 . . . . 61.22 110.29 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.16 -78.43 1.77 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.546 1.154 . . . . 74.43 110.981 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -72.11 146.01 47.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 0.761 . . . . 73.21 109.346 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.468 ' HA ' ' CE3' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -62.39 110.5 1.68 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 75.35 108.001 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.3 m -123.96 113.1 18.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 33.15 110.42 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 1.042 ' O ' HD12 ' A' ' 9' ' ' ILE . 62.0 t80 -165.49 125.12 1.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 73.44 110.997 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.462 ' HB3' HG23 ' A' ' 9' ' ' ILE . 8.6 t30 74.95 25.1 1.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 71.12 109.316 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 62.64 40.37 99.08 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.476 1.11 . . . . 72.42 111.018 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 1.042 HD12 ' O ' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -129.21 174.4 12.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.429 0.723 . . . . 74.42 109.316 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.425 ' N ' HG12 ' A' ' 9' ' ' ILE . 20.9 m -137.7 138.43 39.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 74.33 110.416 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.51 ' CZ ' HG13 ' A' ' 9' ' ' ILE . 22.9 m-85 -125.2 90.7 3.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 64.45 110.985 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -67.55 119.79 12.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 73.05 110.313 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -38.0 -84.46 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.513 1.133 . . . . 65.03 111.001 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -88.39 85.0 1.47 Allowed Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.023 -0.831 . . . . 73.2 111.023 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -138.4 -127.45 2.51 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.017 -0.833 . . . . 64.31 111.017 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -125.22 161.68 19.67 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.003 -0.839 . . . . 40.12 111.003 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 127.15 151.55 7.76 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.021 -0.832 . . . . 51.54 111.021 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.79 136.0 35.67 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.032 -0.827 . . . . 22.31 111.032 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 90.94 66.2 1.18 Allowed Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.994 -0.843 . . . . 73.44 110.994 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.5 -148.8 6.56 Favored Glycine 0 CA--C 1.531 1.058 0 N-CA-C 110.977 -0.849 . . . . 54.44 110.977 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.43 ' HA ' ' CG ' ' A' ' 24' ' ' GLU . 12.1 m -88.59 43.13 1.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 0.771 . . . . 65.31 110.01 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.557 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -87.5 79.03 8.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 53.11 109.263 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 74.95 25.38 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 54.22 109.322 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.43 ' CG ' ' HA ' ' A' ' 21' ' ' SER . 9.9 pt-20 -83.05 -23.88 32.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 74.44 110.33 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 27' ' ' ALA . . . -72.27 -67.89 0.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 74.45 109.34 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.612 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -35.26 -33.29 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 74.35 111.004 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 25' ' ' ALA . . . -64.87 -74.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 44.24 109.318 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 27' ' ' ALA . 16.7 ptmt -38.1 -40.93 0.53 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 73.24 109.32 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 30' ' ' ILE . 15.9 mmt85 -65.68 -49.6 67.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 70.32 110.331 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.565 HG13 ' CD1' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -39.14 -60.45 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 73.35 109.324 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.27 -55.73 2.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 75.21 109.283 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.488 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 3.2 mt-10 -48.6 -54.07 16.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 64.53 110.295 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.47 -51.61 58.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 64.23 109.329 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 7.4 mtm -61.46 -13.07 17.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 72.23 110.954 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 32' ' ' GLU . . . -91.33 -64.94 1.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 75.11 109.306 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -57.35 -61.08 2.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 75.1 109.29 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.477 1.111 . . . . 64.11 111.015 179.998 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.334 -0.247 . . . . 73.24 110.334 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 148.16 58.15 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.448 1.092 . . . . 50.05 110.999 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.512 ' HD2' HG23 ' A' ' 10' ' ' THR . 0.9 OUTLIER -117.05 -175.36 2.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 0.766 . . . . 61.04 109.318 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.546 ' O ' ' CE3' ' A' ' 4' ' ' TRP . 66.5 p-90 -158.03 108.02 2.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 73.3 107.97 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.413 HG23 ' O ' ' A' ' 9' ' ' ILE . 43.8 m -90.97 145.28 24.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 71.32 110.416 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -125.82 -50.77 1.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 71.55 110.965 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -106.49 -29.79 9.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 74.53 109.295 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 159.38 -33.35 0.46 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.482 1.113 . . . . 51.33 110.974 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.69 HG22 ' CD1' ' A' ' 11' ' ' TYR . 7.4 mm -60.91 164.84 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 0.752 . . . . 73.05 109.31 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.515 ' N ' ' CG2' ' A' ' 9' ' ' ILE . 19.2 m -69.94 -52.99 19.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 74.41 110.412 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.69 ' CD1' HG22 ' A' ' 9' ' ' ILE . 6.8 m-30 55.19 32.31 18.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 53.45 110.971 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.1 -24.98 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.59 1.181 . . . . 64.11 110.257 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.16 133.76 4.93 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.481 1.113 . . . . 65.33 110.994 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -174.38 138.4 4.42 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.965 -0.854 . . . . 70.41 110.965 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 104.5 90.6 2.18 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.988 -0.845 . . . . 34.15 110.988 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.8 -91.39 1.19 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.031 -0.828 . . . . 74.41 111.031 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 149.63 153.86 6.2 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.034 -0.826 . . . . 53.24 111.034 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -178.91 128.08 1.21 Allowed Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.019 -0.832 . . . . 51.31 111.019 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -42.5 -59.92 2.97 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.97 -0.852 . . . . 72.22 110.97 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -179.23 -67.43 0.07 OUTLIER Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.991 -0.844 . . . . 74.13 110.991 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.1 m -105.37 92.29 4.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.757 . . . . 61.33 109.963 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.495 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -75.38 84.12 2.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 71.05 109.281 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 70.88 25.03 3.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 64.21 109.35 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -103.11 -23.96 13.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 74.13 110.302 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.2 -30.48 71.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.093 . . . . 71.03 109.324 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.69 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -84.73 -44.51 13.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 63.12 111.05 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.604 ' N ' ' CG ' ' A' ' 26' ' ' TYR . . . -69.12 -9.72 54.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 60.12 109.298 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -64.38 -29.91 70.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 73.31 109.302 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.436 ' CD ' ' O ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -93.97 -51.86 4.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 74.35 110.28 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.561 ' N ' HD13 ' A' ' 30' ' ' ILE . 3.6 mm -39.25 -32.47 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 73.42 109.337 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.418 ' N ' ' C ' ' A' ' 29' ' ' ARG . . . -47.85 -53.15 16.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 54.42 109.27 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.543 ' CG ' ' N ' ' A' ' 33' ' ' ALA . 6.3 pt-20 -48.88 -49.7 38.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 71.51 110.357 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.543 ' N ' ' CG ' ' A' ' 32' ' ' GLU . . . -50.43 -62.14 1.77 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 64.24 109.311 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.78 57.8 3.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 72.13 110.984 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -111.58 66.96 0.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 75.53 109.314 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.21 175.29 12.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.118 . . . . 71.41 109.311 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.52 1.137 . . . . 54.34 110.974 179.99 . . . . . . . . 0 0 . 1 stop_ save_