data_2ixq_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 2ixq _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 full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.428 -1.527 0 CA-C-O 120.652 0.263 . . . . 0.0 110.563 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.546 ' HB1' ' OG1' ' A' ' 133' ' ' THR . . . 68.95 -73.12 0.09 Allowed 'General case' 0 C--O 1.196 -1.735 0 C-N-CA 123.299 0.639 . . . . 0.0 112.248 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 52.13 74.83 0.25 Allowed 'General case' 0 C--O 1.188 -2.159 0 C-N-CA 123.621 0.768 . . . . 0.0 112.794 178.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 1.25 HD22 ' CG ' ' A' ' 4' ' ' LEU . 0.7 OUTLIER -112.21 129.63 56.2 Favored 'General case' 0 C--N 1.281 -2.373 0 O-C-N 120.896 -1.127 . . . . 0.0 110.525 179.786 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -135.05 133.82 39.73 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-O 121.072 0.463 . . . . 0.0 110.331 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 1.275 HD21 ' CG ' ' A' ' 6' ' ' LEU . 37.3 mt -108.24 166.47 10.73 Favored 'General case' 0 C--O 1.191 -2.02 0 CA-C-O 120.93 0.395 . . . . 0.0 111.247 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -157.41 142.68 17.1 Favored 'General case' 0 C--O 1.159 -3.687 0 C-N-CA 123.596 0.758 . . . . 0.0 109.793 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.6 t -109.75 150.44 28.33 Favored 'General case' 0 C--N 1.255 -3.501 0 O-C-N 119.673 -1.892 . . . . 0.0 110.45 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.449 HH11 ' HD3' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -87.02 4.48 41.74 Favored 'General case' 0 C--O 1.182 -2.452 0 CA-C-O 120.593 0.235 . . . . 0.0 111.445 179.899 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 174.61 -65.54 0.11 Allowed Glycine 1 C--O 1.076 -9.759 0 CA-C-O 124.278 2.043 . . . . 0.0 112.985 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.511 ' O ' ' HB2' ' A' ' 12' ' ' SER . . . 134.33 -14.22 4.55 Favored Glycine 3 C--O 0.909 -20.18 2 CA-C-O 110.763 -5.465 . . . . 0.0 117.496 -179.949 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.511 ' HB2' ' O ' ' A' ' 11' ' ' GLY 0.401 0.7 OUTLIER -178.39 -143.61 0.02 OUTLIER 'General case' 4 C--O 0.948 -14.781 3 CA-C-N 128.903 6.352 . . . . 0.0 123.255 179.941 . . . . . . . . 6 4 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 141.21 160.21 8.21 Favored Glycine 4 C--O 0.669 -35.2 0 O-C-N 116.455 -3.903 . . . . 0.0 117.813 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 1.083 HG23 ' CB ' ' A' ' 14' ' ' THR . 9.0 t -116.59 -30.21 5.9 Favored 'General case' 2 C--O 0.9 -17.335 3 O-C-N 92.002 -18.352 . . . . 0.0 112.099 179.042 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -112.9 78.69 1.15 Allowed 'General case' 2 C--N 1.114 -9.666 3 O-C-N 108.428 -8.92 . . . . 0.0 111.724 178.814 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 1.576 HD13 ' CG ' ' A' ' 16' ' ' LEU . 1.0 OUTLIER -95.15 116.51 28.82 Favored 'General case' 1 C--N 1.241 -4.13 0 O-C-N 120.36 -1.462 . . . . 0.0 112.37 -179.018 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.1 mtp85 -91.03 176.02 6.74 Favored 'General case' 0 C--N 1.271 -2.821 0 O-C-N 121.2 -0.937 . . . . 0.0 110.405 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -73.71 139.92 45.64 Favored 'General case' 1 C--O 1.12 -5.73 0 O-C-N 121.932 -0.48 . . . . 0.0 109.946 179.39 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.35 12.13 81.04 Favored Glycine 1 C--N 1.234 -5.088 0 O-C-N 119.485 -2.009 . . . . 0.0 115.35 -178.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.99 133.24 35.45 Favored 'General case' 1 C--O 1.109 -6.319 0 CA-C-N 117.056 0.428 . . . . 0.0 110.692 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -78.19 160.11 28.16 Favored 'General case' 1 C--O 1.121 -5.688 0 O-C-N 119.068 -2.27 . . . . 0.0 112.509 -178.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 1.476 HG13 ' CB ' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -131.72 -53.65 0.86 Allowed 'Isoleucine or valine' 1 C--N 1.236 -4.363 0 O-C-N 119.633 -1.917 . . . . 0.0 111.23 179.743 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -126.7 153.85 44.89 Favored 'General case' 2 C--O 0.971 -13.588 0 CA-C-O 116.1 -1.905 . . . . 0.0 112.985 179.217 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 1.26 ' HG1' ' CB ' ' A' ' 24' ' ' THR . 4.0 m -148.08 87.73 1.62 Allowed 'General case' 3 C--O 1.016 -11.23 1 CA-C-N 127.419 4.645 . . . . 0.0 112.765 -179.189 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -101.04 -176.02 29.15 Favored Glycine 2 C--N 1.19 -7.544 1 O-C-N 114.502 -5.124 . . . . 0.0 115.132 178.554 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.33 144.47 51.27 Favored 'General case' 0 N--CA 1.421 -1.908 0 CA-C-O 120.968 0.413 . . . . 0.0 110.955 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 1.042 HD12 ' CG1' ' A' ' 27' ' ' ILE . 16.3 tt -120.2 159.34 21.63 Favored 'Isoleucine or valine' 1 C--O 1.142 -4.554 0 C-N-CA 123.13 0.572 . . . . 0.0 109.716 -179.589 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 1.435 HG21 ' CB ' ' A' ' 28' ' ' ILE . 1.1 pt -130.71 169.41 21.51 Favored 'Isoleucine or valine' 1 C--O 1.097 -6.961 0 O-C-N 118.811 -2.431 . . . . 0.0 110.912 -178.192 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -148.18 172.35 14.46 Favored 'General case' 2 C--O 1.129 -5.26 0 O-C-N 118.098 -2.876 . . . . 0.0 109.382 179.108 -144.489 108.488 -74.748 104.163 2.01 104.447 -111.451 -177.971 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -106.66 -86.78 0.48 Allowed 'General case' 0 C--N 1.25 -3.759 0 O-C-N 118.418 -2.676 . . . . 0.0 112.563 -178.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -96.62 -165.08 1.22 Allowed 'General case' 0 C--N 1.291 -1.947 0 O-C-N 121.61 -0.681 . . . . 0.0 111.401 -179.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.19 124.42 17.85 Favored 'General case' 1 C--O 1.132 -5.108 0 N-CA-C 112.268 0.469 . . . . 0.0 112.268 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -147.44 166.78 26.19 Favored 'General case' 0 C--N 1.25 -3.757 0 O-C-N 119.441 -2.037 . . . . 0.0 109.969 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.92 9.84 7.57 Favored 'General case' 0 C--O 1.202 -1.435 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.565 179.398 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.542 ' C ' ' HB3' ' A' ' 84' ' ' SER . . . -155.24 117.21 0.77 Allowed Glycine 0 N--CA 1.419 -2.48 0 N-CA-C 115.468 0.947 . . . . 0.0 115.468 -179.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.707 ' CE2' ' HA3' ' A' ' 87' ' ' GLY . 11.4 m-85 -83.52 84.69 7.44 Favored 'General case' 0 C--O 1.172 -3.013 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 177.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.426 ' H ' ' HA ' ' A' ' 117' ' ' CYS . 3.9 m80 -52.31 109.14 0.35 Allowed 'General case' 0 C--N 1.282 -2.348 0 O-C-N 120.992 -1.068 . . . . 0.0 112.514 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 1.37 HG12 ' CB ' ' A' ' 38' ' ' VAL . 0.7 OUTLIER -133.43 146.68 31.72 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.729 0 C-N-CA 122.653 0.381 . . . . 0.0 110.009 179.047 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.647 ' O ' ' HA ' ' A' ' 113' ' ' VAL . 4.9 p90 -137.01 170.02 16.8 Favored 'General case' 0 C--O 1.204 -1.328 0 O-C-N 121.905 -0.497 . . . . 0.0 111.012 -179.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 1.353 ' HE2' ' SD ' ' A' ' 40' ' ' MET . 14.9 mmt -119.13 -41.87 2.72 Favored 'General case' 0 C--N 1.307 -1.269 0 O-C-N 122.26 -0.275 . . . . 0.0 111.087 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 64.51 81.45 0.21 Allowed 'General case' 0 C--O 1.209 -1.076 0 CA-C-O 121.359 0.6 . . . . 0.0 111.603 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.425 ' HG2' ' CG1' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -148.78 -85.84 0.09 Allowed 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 122.662 0.385 . . . . 0.0 111.073 -179.682 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.25 78.06 0.73 Allowed 'General case' 0 C--O 1.198 -1.641 0 CA-C-O 121.541 0.686 . . . . 0.0 110.261 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.426 ' HG2' ' HB2' ' A' ' 81' ' ' LYS . 8.2 mp0 -79.92 154.63 28.18 Favored 'General case' 0 C--N 1.289 -2.047 0 CA-C-O 121.466 0.65 . . . . 0.0 111.246 -178.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.5 t -95.21 86.8 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.772 0 CA-C-O 121.438 0.637 . . . . 0.0 110.438 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 59.2 -122.68 1.19 Allowed 'General case' 1 C--O 1.107 -6.417 0 C-N-CA 123.191 0.596 . . . . 0.0 111.671 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -84.71 20.5 14.62 Favored Glycine 2 C--O 1.042 -11.887 0 O-C-N 118.101 -2.874 . . . . 0.0 114.536 -179.408 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.471 ' NE ' ' HA ' ' A' ' 48' ' ' ARG . 1.2 mmp_? -70.54 110.14 5.24 Favored 'General case' 2 C--N 1.18 -6.765 1 O-C-N 114.891 -4.888 . . . . 0.0 109.705 179.326 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -103.79 -32.76 9.17 Favored 'General case' 2 C--O 0.825 -21.275 1 CA-C-O 134.616 6.912 . . . . 0.0 117.461 -179.131 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.919 ' O ' ' HB2' ' A' ' 51' ' ' ARG . 1.6 pm0 -110.97 44.82 1.23 Allowed 'General case' 2 C--N 0.876 -20.001 3 O-C-N 94.305 -17.747 . . . . 0.0 114.466 -179.57 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.919 ' HB2' ' O ' ' A' ' 50' ' ' GLU . 0.2 OUTLIER 152.86 129.67 0.0 OUTLIER 'General case' 2 C--N 1.078 -11.204 1 O-C-N 108.903 -8.623 . . . . 0.0 109.802 179.542 . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -160.82 138.39 9.34 Favored 'General case' 2 C--O 0.965 -13.896 1 O-C-N 115.229 -4.669 . . . . 0.0 113.944 -178.914 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.507 ' HA ' ' HA ' ' A' ' 64' ' ' ARG . 3.0 p -78.54 105.36 7.61 Favored 'Isoleucine or valine' 1 C--N 1.124 -9.215 3 O-C-N 111.208 -7.183 . . . . 0.0 111.176 178.983 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 1.046 HG23 ' CB ' ' A' ' 54' ' ' VAL . 2.3 m -79.94 170.45 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.244 0 CA-C-O 121.108 0.48 . . . . 0.0 111.618 -178.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -122.08 164.79 17.11 Favored 'General case' 1 C--O 1.128 -5.325 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.61 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.8 p -80.17 172.81 13.28 Favored 'General case' 0 C--N 1.252 -3.644 0 O-C-N 119.049 -2.282 . . . . 0.0 110.49 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.5 ttpp -64.18 -40.81 96.9 Favored 'General case' 1 C--O 1.022 -10.883 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -88.88 0.74 56.3 Favored 'General case' 2 C--O 0.598 -33.23 2 CA-C-O 130.956 5.169 . . . . 0.0 110.283 178.464 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 58.18 79.26 0.1 Allowed Glycine 2 C--N 0.962 -20.235 3 O-C-N 82.284 -25.26 . . . . 0.0 112.84 179.428 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.2 ptt-85 -161.68 -13.18 0.04 OUTLIER 'General case' 1 C--N 1.22 -5.031 0 O-C-N 117.842 -3.152 . . . . 0.0 110.969 179.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.631 ' CE1' ' HB2' ' A' ' 105' ' ' ALA . 38.1 m-70 -132.49 128.38 37.25 Favored 'General case' 0 C--O 1.192 -1.933 0 O-C-N 122.277 -0.264 . . . . 0.0 110.574 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -100.95 142.74 31.99 Favored 'General case' 0 C--N 1.29 -2.019 0 O-C-N 121.801 -0.562 . . . . 0.0 110.827 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 1.341 HD11 ' CG ' ' A' ' 63' ' ' LEU . 21.0 tp -135.26 105.49 6.31 Favored 'General case' 1 C--O 1.138 -4.773 0 CA-C-O 121.761 0.791 . . . . 0.0 111.547 -179.738 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.507 ' HA ' ' HA ' ' A' ' 53' ' ' VAL . 28.9 mtp85 -70.84 135.61 48.19 Favored 'General case' 2 C--O 1.104 -6.586 0 O-C-N 119.369 -2.082 . . . . 0.0 111.127 179.79 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 1.052 HG13 ' CB ' ' A' ' 65' ' ' VAL . 18.3 m -131.51 129.38 61.86 Favored 'Isoleucine or valine' 1 C--O 1.097 -6.936 0 O-C-N 118.181 -2.824 . . . . 0.0 113.638 -179.036 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.0 mmm-85 -93.58 69.75 4.16 Favored 'General case' 2 C--O 1.124 -5.53 0 O-C-N 118.392 -2.692 . . . . 0.0 110.826 178.049 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 1.186 ' CG2' ' CA ' ' A' ' 67' ' ' THR . 8.9 t -87.01 -30.37 21.27 Favored 'General case' 2 C--O 0.967 -13.811 0 O-C-N 120.052 -1.655 . . . . 0.0 113.919 -179.845 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -48.98 -19.79 1.61 Allowed Glycine 4 C--O 0.844 -24.267 3 N-CA-C 132.321 7.688 . . . . 0.0 132.321 -179.956 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.599 ' O ' ' HB3' ' A' ' 70' ' ' ASP . . . 99.44 -3.82 58.05 Favored Glycine 4 N--CA 1.126 -21.987 2 N-CA-C 164.665 20.626 . . . . 0.0 164.665 -179.782 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.599 ' HB3' ' O ' ' A' ' 69' ' ' GLY 0.283 22.9 t70 67.55 -57.38 0.45 Allowed 'General case' 4 C--O 0.739 -25.808 0 CA-C-O 125.484 2.564 . . . . 0.0 107.966 -179.756 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -125.47 38.95 2.16 Favored Glycine 4 C--N 0.966 -20.009 3 O-C-N 98.092 -15.38 . . . . 0.0 122.515 179.519 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.488 ' CD2' ' HB3' ' A' ' 85' ' ' ARG . 13.5 m95 -99.44 174.52 6.23 Favored 'General case' 2 C--O 1.08 -7.862 0 O-C-N 120.263 -1.727 . . . . 0.0 109.866 179.405 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.9 m -133.89 127.07 19.13 Favored Pre-proline 1 C--N 1.218 -5.113 0 O-C-N 116.849 -3.657 . . . . 0.0 111.197 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -71.25 91.72 0.66 Allowed 'Trans proline' 0 C--O 1.161 -3.374 0 C-N-CA 122.798 2.332 . . . . 0.0 113.21 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -127.28 63.07 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.27 -2.889 0 O-C-N 120.321 -1.487 . . . . 0.0 111.651 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 38.3 mtmt 66.99 171.75 0.26 Allowed 'General case' 0 C--O 1.177 -2.754 0 CA-C-O 122.837 1.303 . . . . 0.0 112.261 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -162.32 168.14 37.18 Favored Glycine 2 C--O 0.924 -19.257 0 CA-C-O 126.817 3.454 . . . . 0.0 112.699 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -112.41 135.6 52.91 Favored 'General case' 2 C--N 1.038 -12.962 3 O-C-N 104.291 -11.123 . . . . 0.0 109.319 179.867 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.7 -65.46 4.11 Favored Glycine 4 C--O 0.986 -15.356 0 O-C-N 117.836 -3.04 . . . . 0.0 119.667 -179.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -151.29 71.6 0.29 Allowed Glycine 3 N--CA 1.324 -8.778 1 CA-C-N 124.876 4.338 . . . . 0.0 112.61 179.578 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 1.53 ' HZ1' ' CE ' ' A' ' 81' ' ' LYS . 45.9 mmtt 58.69 -159.84 0.28 Allowed 'General case' 1 C--O 1.134 -4.979 0 C-N-CA 126.781 2.032 . . . . 0.0 110.725 179.895 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.434 ' HA2' ' O ' ' A' ' 38' ' ' VAL . . . 137.12 177.31 14.94 Favored Glycine 2 C--O 0.986 -15.404 0 CA-C-O 115.845 -2.641 . . . . 0.0 114.302 -179.416 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 1.299 HG21 ' CB ' ' A' ' 83' ' ' VAL . 0.1 OUTLIER -143.53 159.51 16.87 Favored 'Isoleucine or valine' 3 C--O 0.962 -14.066 1 CA-C-N 126.78 5.29 . . . . 0.0 118.703 179.47 . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.542 ' HB3' ' C ' ' A' ' 35' ' ' GLY . 8.8 m -122.64 121.9 37.54 Favored 'General case' 1 C--N 1.191 -6.307 2 O-C-N 114.578 -5.076 . . . . 0.0 115.351 -178.884 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.488 ' HB3' ' CD2' ' A' ' 72' ' ' TRP . 0.0 OUTLIER -95.93 164.26 19.1 Favored Pre-proline 0 C--O 1.182 -2.493 0 C-N-CA 123.543 0.737 . . . . 0.0 109.476 178.237 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.446 ' HD2' ' HB2' ' A' ' 85' ' ' ARG . 31.9 Cg_exo -40.16 105.34 0.05 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.109 0 C-N-CA 123.947 3.098 . . . . 0.0 113.229 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.707 ' HA3' ' CE2' ' A' ' 36' ' ' PHE . . . -90.82 49.89 3.12 Favored Glycine 0 N--CA 1.423 -2.198 0 N-CA-C 115.295 0.878 . . . . 0.0 115.295 -178.202 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -90.9 -17.58 26.2 Favored 'General case' 1 C--O 1.085 -7.563 0 CA-C-O 122.936 1.351 . . . . 0.0 109.772 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -89.3 168.14 12.49 Favored 'General case' 1 C--N 1.195 -6.144 0 O-C-N 117.028 -3.545 . . . . 0.0 111.09 179.348 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.415 ' O ' ' HA ' ' A' ' 28' ' ' ILE . 45.6 mt-10 -94.34 -25.54 16.94 Favored 'General case' 1 C--O 1.149 -4.226 0 O-C-N 122.213 -0.304 . . . . 0.0 111.194 179.886 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.48 ' HA ' ' O ' ' A' ' 27' ' ' ILE . 9.5 tt0 -159.53 116.33 2.61 Favored 'General case' 0 C--N 1.274 -2.717 0 O-C-N 120.344 -1.473 . . . . 0.0 111.192 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 31.2 m -124.27 166.38 19.69 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.569 0 CA-C-O 121.315 0.579 . . . . 0.0 110.384 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -111.4 147.17 35.79 Favored 'General case' 1 C--O 0.941 -15.15 0 CA-C-O 122.298 1.047 . . . . 0.0 111.646 -179.222 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.667 ' O ' ' CD1' ' A' ' 94' ' ' PHE . 50.7 p90 -131.6 99.24 4.73 Favored 'General case' 2 C--O 0.837 -20.63 3 O-C-N 110.533 -7.604 . . . . 0.0 114.822 179.198 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -85.27 139.81 31.33 Favored 'General case' 1 C--N 1.044 -12.703 3 O-C-N 101.712 -13.117 . . . . 0.0 112.824 -179.913 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 1.236 ' CG2' ' CA ' ' A' ' 96' ' ' VAL . 7.0 m -102.57 100.03 9.59 Favored 'Isoleucine or valine' 1 C--O 1.124 -5.508 0 CA-C-O 122.091 0.948 . . . . 0.0 111.871 -179.547 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 60.9 mtm -77.28 119.28 20.7 Favored 'General case' 2 C--O 1.059 -8.954 0 O-C-N 118.874 -2.391 . . . . 0.0 110.166 179.099 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 1.02 ' HB3' ' CA ' ' A' ' 98' ' ' ALA . . . -86.01 128.29 34.82 Favored 'General case' 1 C--N 1.2 -5.933 1 O-C-N 115.541 -4.474 . . . . 0.0 111.696 -179.39 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 1.283 ' HB2' ' OD2' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -99.24 50.89 0.94 Allowed 'General case' 0 C--O 1.181 -2.529 0 CA-C-O 122.943 1.354 . . . . 0.0 110.175 179.553 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -65.08 -63.68 4.01 Favored Glycine 0 C--N 1.261 -3.601 0 O-C-N 120.998 -1.064 . . . . 0.0 114.397 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.932 ' O ' ' HB2' ' A' ' 102' ' ' GLN . 16.5 t-20 63.85 83.6 0.16 Allowed 'General case' 1 C--O 0.952 -14.599 1 CA-C-O 130.047 4.737 . . . . 0.0 111.251 179.811 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.932 ' HB2' ' O ' ' A' ' 101' ' ' ASN . 5.2 tt0 137.91 -156.17 0.0 OUTLIER 'General case' 2 C--O 0.934 -15.538 1 O-C-N 105.456 -10.777 . . . . 0.0 111.24 179.227 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.426 ' H ' ' HG2' ' A' ' 102' ' ' GLN . 0.2 OUTLIER -111.06 138.19 47.77 Favored 'General case' 2 C--N 1.07 -11.567 3 O-C-N 106.134 -10.354 . . . . 0.0 110.129 -179.708 . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 1.099 HD11 ' CG1' ' A' ' 104' ' ' ILE . 20.2 pt -104.86 139.06 26.97 Favored 'Isoleucine or valine' 1 C--N 1.236 -4.343 0 O-C-N 118.465 -2.647 . . . . 0.0 110.583 179.384 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.631 ' HB2' ' CE1' ' A' ' 61' ' ' HIS . . . -71.85 146.02 90.03 Favored Pre-proline 0 C--N 1.302 -1.495 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.128 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -52.24 126.83 21.62 Favored 'Trans proline' 1 C--O 1.141 -4.365 0 C-N-CA 123.635 2.89 . . . . 0.0 113.976 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 180.0 -160.85 26.15 Favored Glycine 2 C--O 1.165 -4.207 0 O-C-N 119.661 -1.899 . . . . 0.0 111.229 179.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -130.95 126.79 36.98 Favored 'General case' 0 C--N 1.278 -2.539 0 CA-C-N 118.885 1.342 . . . . 0.0 110.978 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -111.58 105.02 13.45 Favored 'General case' 0 C--O 1.174 -2.915 0 CA-C-O 121.399 0.618 . . . . 0.0 109.426 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -103.48 127.63 50.83 Favored 'General case' 0 C--N 1.274 -2.699 0 O-C-N 120.481 -1.387 . . . . 0.0 111.526 -178.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -117.12 148.89 41.16 Favored 'General case' 0 C--O 1.204 -1.301 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.486 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.512 ' HA ' ' O ' ' A' ' 135' ' ' GLY . 1.4 m -117.54 48.93 1.27 Allowed 'General case' 0 C--O 1.17 -3.086 0 CA-C-O 121.635 0.731 . . . . 0.0 110.449 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.647 ' HA ' ' O ' ' A' ' 39' ' ' TRP . 0.2 OUTLIER -72.97 131.6 34.63 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.634 0 O-C-N 121.049 -1.032 . . . . 0.0 112.518 -178.916 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -169.02 163.19 36.96 Favored Glycine 2 C--O 0.876 -22.223 0 CA-C-O 113.832 -3.76 . . . . 0.0 114.597 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.437 ' H ' ' HG ' ' A' ' 4' ' ' LEU . . . -159.2 163.29 33.28 Favored Glycine 4 C--O 0.941 -18.191 3 CA-C-N 131.452 7.626 . . . . 0.0 120.9 179.779 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 1.086 ' HB1' ' CA ' ' A' ' 116' ' ' ALA . . . -125.85 -27.03 3.38 Favored 'General case' 1 C--N 1.181 -6.754 3 CA-C-N 128.204 6.002 . . . . 0.0 114.14 -179.473 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.426 ' HA ' ' H ' ' A' ' 37' ' ' HIS . 50.4 t 72.16 -52.86 0.7 Allowed 'General case' 0 C--O 1.2 -1.517 0 C-N-CA 123.398 0.679 . . . . 0.0 111.551 179.987 -177.971 -111.451 -74.748 104.447 2.01 104.163 108.488 -144.489 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 14.8 m -51.2 149.06 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 N-CA-C 113.21 0.819 . . . . 0.0 113.21 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 11.6 p -94.31 138.45 22.47 Favored Pre-proline 0 C--N 1.293 -1.862 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.449 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.4 ' HB3' ' HA ' ' A' ' 130' ' ' PRO . 21.1 Cg_endo -67.39 -133.71 0.01 OUTLIER 'Trans proline' 1 C--O 0.977 -12.558 0 C-N-CA 122.687 2.258 . . . . 0.0 112.323 178.504 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -86.31 83.8 7.61 Favored 'General case' 1 C--N 1.164 -7.475 2 O-C-N 110.871 -7.393 . . . . 0.0 110.984 179.35 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -142.24 -175.81 4.58 Favored 'General case' 0 C--N 1.29 -2.012 0 O-C-N 121.446 -0.784 . . . . 0.0 110.124 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -70.7 91.63 0.83 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.008 0.432 . . . . 0.0 110.723 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 179.45 -28.74 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.013 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.408 ' HB3' ' H ' ' A' ' 126' ' ' GLN . 6.7 tmtt? 68.4 -98.83 0.04 OUTLIER 'General case' 0 C--O 1.217 -0.649 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.764 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.408 ' H ' ' HB3' ' A' ' 125' ' ' LYS . 49.2 mt-30 52.34 -147.53 0.45 Allowed 'General case' 0 C--O 1.171 -3.073 0 CA-C-O 121.495 0.664 . . . . 0.0 111.064 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -96.84 106.28 3.33 Favored Glycine 0 C--N 1.266 -3.336 0 O-C-N 120.219 -1.551 . . . . 0.0 110.309 178.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -51.99 109.22 0.35 Allowed 'General case' 0 C--N 1.283 -2.301 0 N-CA-C 112.932 0.715 . . . . 0.0 112.932 -178.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 2.7 m -132.78 86.49 43.72 Favored Pre-proline 0 C--O 1.206 -1.227 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.081 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.4 ' HA ' ' HB3' ' A' ' 120' ' ' PRO . 57.4 Cg_endo -80.61 14.38 2.03 Favored 'Trans proline' 1 C--O 1.142 -4.308 0 C-N-CA 123.344 2.696 . . . . 0.0 113.843 -179.312 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 13.2 m -136.96 120.3 16.89 Favored 'General case' 0 C--N 1.271 -2.82 0 O-C-N 119.937 -1.727 . . . . 0.0 112.461 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -99.36 132.78 11.05 Favored Glycine 1 C--O 0.984 -15.477 0 CA-C-O 119.419 -0.656 . . . . 0.0 114.238 179.122 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.546 ' OG1' ' HB1' ' A' ' 2' ' ' ALA . 0.0 OUTLIER -69.28 150.81 46.99 Favored 'General case' 2 C--O 1.085 -7.555 2 O-C-N 114.045 -5.385 . . . . 0.0 115.63 -178.977 . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.01 165.37 11.93 Favored 'General case' 2 C--O 1.027 -10.655 0 O-C-N 118.582 -2.574 . . . . 0.0 111.355 179.314 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . 0.512 ' O ' ' HA ' ' A' ' 112' ' ' SER . . . -125.31 172.47 17.33 Favored Glycine 2 C--N 1.193 -7.39 1 O-C-N 114.306 -5.247 . . . . 0.0 112.806 179.685 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -140.23 113.41 8.38 Favored 'General case' 0 C--N 1.275 -2.651 0 CA-C-N 119.941 1.871 . . . . 0.0 112.207 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 1.5 m -128.08 126.63 41.57 Favored 'General case' 0 C--N 1.29 -2.0 0 O-C-N 121.573 -0.704 . . . . 0.0 109.652 178.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 1.394 ' NZ ' ' CD ' ' A' ' 138' ' ' LYS . 0.3 OUTLIER -112.51 145.91 39.42 Favored 'General case' 1 C--O 1.105 -6.545 0 CA-C-O 120.948 0.404 . . . . 0.0 111.85 -179.632 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 1.283 HD11 ' CG ' ' A' ' 139' ' ' LEU . 0.4 OUTLIER -125.92 77.81 1.7 Allowed 'General case' 1 C--N 1.23 -4.614 0 O-C-N 118.334 -2.729 . . . . 0.0 109.856 179.92 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' THR . . . . . 1.195 ' CG2' ' CA ' ' A' ' 140' ' ' THR . 2.4 m -87.99 130.64 34.9 Favored 'General case' 1 C--O 1.044 -9.737 0 O-C-N 120.863 -1.148 . . . . 0.0 112.0 -179.276 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 1.405 ' CG1' ' CA ' ' A' ' 141' ' ' VAL . 90.5 t -85.33 113.11 23.18 Favored 'Isoleucine or valine' 3 C--O 0.689 -28.423 2 CA-C-O 145.714 12.197 . . . . 0.0 113.606 179.891 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' THR . . . . . 1.34 ' CA ' ' C ' ' A' ' 141' ' ' VAL 1.132 0.2 OUTLIER . . . . . 4 C--O 0.202 -54.056 4 O-C-N 72.424 -31.423 . . . . 0.0 153.122 -179.9 . . . . . . . . 5 3 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' GLU . . . . . 1.302 ' N ' ' OXT' ' A' ' 142' ' ' THR 1.339 0.1 OUTLIER . . . . . 3 C--O 0.554 -35.515 1 N-CA-C 158.314 17.524 . . . . 0.0 158.314 . . . . . . . . . 5 3 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.488 ' CD ' ' OE1' ' B' ' 2' ' ' GLU 0.654 6.2 mm-40 -104.38 168.62 8.97 Favored 'General case' 3 N--CA 0.97 -24.449 4 CA-C-N 136.154 8.616 . . . . 0.0 126.142 179.163 . . . . . . . . 5 3 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' CYS . . . . . . . . . . . . . 3.2 t -120.65 105.97 11.29 Favored 'General case' 1 C--N 1.027 -13.431 3 O-C-N 103.658 -11.901 . . . . 0.0 110.476 -179.926 -153.591 23.054 110.124 106.881 1.964 103.994 -101.985 -44.915 3 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . 1.479 ' NE2' ' CG ' ' B' ' 4' ' ' GLN . 11.5 tt0 -123.03 91.84 3.57 Favored 'General case' 1 C--O 1.088 -7.438 0 O-C-N 120.553 -1.342 . . . . 0.0 110.459 179.333 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.989 HG22 ' CG2' ' B' ' 5' ' ' VAL . 41.4 t -77.95 111.82 15.21 Favored 'Isoleucine or valine' 1 C--N 1.192 -6.267 1 O-C-N 116.165 -4.085 . . . . 0.0 111.67 -179.445 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.66 142.32 27.5 Favored 'General case' 0 C--O 1.173 -2.926 0 CA-C-O 121.05 0.452 . . . . 0.0 110.032 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 11.7 p -144.97 153.47 14.38 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.795 0 O-C-N 120.489 -1.382 . . . . 0.0 110.644 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -136.68 143.98 15.51 Favored Glycine 1 C--O 1.14 -5.775 0 CA-C-N 118.685 0.675 . . . . 0.0 113.738 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.22 142.21 54.84 Favored 'General case' 1 C--N 1.243 -4.064 0 O-C-N 119.473 -2.192 . . . . 0.0 112.795 179.451 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 1.152 HD21 ' CG ' ' B' ' 10' ' ' LEU . 0.6 OUTLIER -144.28 160.11 41.55 Favored 'General case' 0 N--CA 1.427 -1.577 0 C-N-CA 122.754 0.422 . . . . 0.0 111.572 -179.817 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 2.5 m -133.74 124.08 26.02 Favored 'General case' 0 C--O 1.194 -1.832 0 CA-C-O 121.062 0.458 . . . . 0.0 110.869 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 11.9 p -109.38 162.63 6.99 Favored 'Isoleucine or valine' 1 C--O 1.091 -7.279 0 O-C-N 121.402 -0.811 . . . . 0.0 109.808 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.01 65.9 1.36 Allowed 'General case' 1 C--O 1.025 -10.744 0 CA-C-N 122.984 2.629 . . . . 0.0 114.164 -178.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 1.236 ' HZ3' ' CE ' ' B' ' 14' ' ' LYS . 0.8 OUTLIER -135.37 133.27 38.55 Favored 'General case' 2 C--O 1.032 -10.369 1 O-C-N 115.413 -4.554 . . . . 0.0 111.744 178.215 . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' THR . . . . . 0.418 ' HA ' ' CG1' ' B' ' 142' ' ' VAL . 13.7 t -81.45 155.27 25.93 Favored 'General case' 1 C--N 1.165 -7.436 1 O-C-N 113.855 -5.528 . . . . 0.0 113.027 -178.399 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -64.95 -37.56 88.05 Favored 'General case' 1 C--O 1.141 -4.639 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.871 179.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -46.04 -16.08 0.14 Allowed Glycine 1 C--O 1.147 -5.317 0 N-CA-C 117.176 1.63 . . . . 0.0 117.176 178.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -92.49 -59.55 2.05 Favored 'General case' 1 C--O 1.023 -10.82 0 CA-C-N 118.625 1.212 . . . . 0.0 109.762 178.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 1.584 ' CD1' ' CB ' ' B' ' 19' ' ' LEU . 12.0 mt -46.68 100.06 0.02 OUTLIER 'General case' 1 C--N 1.161 -7.626 1 O-C-N 115.086 -4.759 . . . . 0.0 113.98 179.011 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' THR . . . . . 1.272 ' HG1' ' CB ' ' B' ' 20' ' ' THR . 0.0 OUTLIER -95.4 -43.5 7.98 Favored 'General case' 0 C--N 1.286 -2.192 0 CA-C-O 121.768 0.794 . . . . 0.0 111.083 179.842 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' B' ' 22' ' ' ALA . 32.8 t70 -141.36 130.51 23.41 Favored 'General case' 1 C--O 1.059 -8.967 0 O-C-N 121.24 -0.913 . . . . 0.0 110.538 179.688 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . 1.037 ' HB1' ' CA ' ' B' ' 22' ' ' ALA . . . 4.87 89.79 0.01 OUTLIER 'General case' 1 C--N 1.227 -4.726 0 C-N-CA 129.689 3.196 . . . . 0.0 114.572 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 1.034 ' HB3' ' CA ' ' B' ' 23' ' ' ALA . . . -130.79 137.34 30.56 Favored Pre-proline 0 C--N 1.3 -1.579 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.214 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -72.49 119.16 5.95 Favored 'Trans proline' 0 C--O 1.208 -1.019 0 C-N-CA 122.743 2.295 . . . . 0.0 113.59 -179.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 1.2 pt -135.74 44.73 0.47 Allowed 'Isoleucine or valine' 1 C--O 1.085 -7.554 0 CA-C-O 121.985 0.898 . . . . 0.0 112.246 179.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 165.54 88.3 0.07 OUTLIER Glycine 1 C--N 1.213 -6.251 1 O-C-N 116.128 -4.108 . . . . 0.0 113.202 179.714 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_endo -80.3 98.31 1.09 Allowed 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 123.001 2.467 . . . . 0.0 112.719 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.43 ' O ' ' HA ' ' B' ' 95' ' ' THR . 11.7 t -75.26 123.09 30.36 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.376 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 4.6 t -74.25 107.01 6.16 Favored 'General case' 0 C--O 1.215 -0.739 0 CA-C-O 121.741 0.782 . . . . 0.0 111.115 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 46.5 t -122.22 125.39 72.85 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.553 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.858 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.55 111.08 12.38 Favored 'General case' 0 C--O 1.159 -3.662 0 O-C-N 121.604 -0.685 . . . . 0.0 112.252 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.42 145.67 26.75 Favored 'General case' 1 C--O 1.142 -4.578 0 O-C-N 120.312 -1.493 . . . . 0.0 111.615 179.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 16.9 tp -133.53 125.36 28.71 Favored 'General case' 0 C--N 1.271 -2.833 0 O-C-N 120.262 -1.524 . . . . 0.0 111.855 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.59 -6.37 69.64 Favored Glycine 0 C--O 1.169 -3.958 0 C-N-CA 121.12 -0.562 . . . . 0.0 114.078 178.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 10.2 m -81.54 67.94 7.69 Favored 'General case' 1 C--O 1.136 -4.898 0 O-C-N 120.757 -1.437 . . . . 0.0 110.87 -179.597 -44.915 -101.985 110.124 103.994 1.964 106.881 23.054 -153.591 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -86.15 -22.94 26.77 Favored 'General case' 0 C--N 1.257 -3.452 0 O-C-N 119.211 -2.181 . . . . 0.0 111.545 -179.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -131.62 26.83 4.71 Favored 'General case' 0 C--O 1.2 -1.522 0 CA-C-O 121.409 0.624 . . . . 0.0 110.681 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.33 144.48 51.04 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.373 -0.829 . . . . 0.0 111.192 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -88.32 98.69 11.73 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.593 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.969 HG11 ' CB ' ' B' ' 40' ' ' VAL . 46.2 t -56.72 129.89 18.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.032 179.302 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -136.04 135.69 39.62 Favored 'General case' 0 C--O 1.183 -2.407 0 CA-C-O 122.155 0.979 . . . . 0.0 112.592 -178.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 1.4 mp -116.57 143.29 45.8 Favored 'General case' 0 C--N 1.275 -2.631 0 O-C-N 121.048 -1.032 . . . . 0.0 109.039 178.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . 1.501 ' HZ3' ' CE ' ' B' ' 43' ' ' LYS . 6.4 mtmm -152.67 125.2 8.25 Favored 'General case' 0 C--O 1.178 -2.701 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -179.329 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 1.034 ' HB3' ' CA ' ' B' ' 44' ' ' ALA . . . -58.96 149.95 25.82 Favored 'General case' 0 C--O 1.156 -3.859 0 C-N-CA 123.229 0.612 . . . . 0.0 111.814 178.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -64.46 162.11 15.86 Favored 'General case' 0 C--N 1.27 -2.871 0 C-N-CA 124.027 0.931 . . . . 0.0 112.12 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 13.4 t -54.76 -23.63 18.81 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 -178.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -76.01 -29.04 57.99 Favored 'General case' 1 C--O 1.123 -5.593 0 CA-C-O 120.869 0.366 . . . . 0.0 111.138 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -110.33 -5.55 15.21 Favored 'General case' 1 C--O 1.092 -7.217 0 O-C-N 119.279 -2.138 . . . . 0.0 111.685 179.019 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -113.13 115.36 28.16 Favored 'General case' 1 C--N 1.228 -4.691 0 O-C-N 117.451 -3.281 . . . . 0.0 111.412 178.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . 1.167 ' OE2' ' CG ' ' B' ' 50' ' ' GLU . 0.0 OUTLIER -129.74 117.34 20.14 Favored 'General case' 0 C--N 1.291 -1.96 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -179.76 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 56.74 21.71 6.21 Favored 'General case' 1 C--O 0.881 -18.306 0 CA-C-O 123.493 1.616 . . . . 0.0 112.278 179.187 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 94.97 49.67 2.23 Favored Glycine 2 C--N 1.09 -13.087 3 O-C-N 105.314 -10.866 . . . . 0.0 112.366 -179.409 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt -148.73 133.7 18.12 Favored 'General case' 1 C--O 0.978 -13.214 0 CA-C-N 119.306 1.553 . . . . 0.0 111.374 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 21.6 m-30 -98.15 126.57 43.66 Favored 'General case' 1 C--N 1.16 -7.648 2 O-C-N 112.343 -6.473 . . . . 0.0 109.68 179.227 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -139.95 149.09 42.86 Favored 'General case' 0 C--N 1.271 -2.81 0 O-C-N 120.59 -1.318 . . . . 0.0 110.843 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 1.673 HD21 ' CG ' ' B' ' 56' ' ' LEU . 0.0 OUTLIER -93.69 132.87 37.62 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.049 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 9.1 tp -100.5 146.88 8.43 Favored 'Isoleucine or valine' 0 C--O 1.189 -2.095 0 CA-C-O 119.492 -0.289 . . . . 0.0 111.52 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.43 161.35 27.81 Favored 'General case' 1 C--O 1.135 -4.953 0 C-N-CA 122.8 0.44 . . . . 0.0 111.264 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -70.32 -25.43 63.3 Favored 'General case' 1 C--N 1.24 -4.186 0 O-C-N 120.665 -1.272 . . . . 0.0 112.944 -179.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -117.03 10.73 14.05 Favored 'General case' 0 C--N 1.27 -2.891 0 O-C-N 120.888 -1.132 . . . . 0.0 109.695 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 44.2 t30 62.7 99.95 0.03 OUTLIER 'General case' 0 C--O 1.191 -1.978 0 CA-C-O 121.699 0.761 . . . . 0.0 112.027 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -147.25 -69.45 0.24 Allowed 'General case' 0 C--O 1.155 -3.88 0 O-C-N 121.586 -0.696 . . . . 0.0 111.584 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 1.256 ' OD2' ' CB ' ' B' ' 63' ' ' ASP . 10.4 t0 -120.0 160.47 22.71 Favored 'General case' 0 C--N 1.263 -3.174 0 O-C-N 119.783 -1.823 . . . . 0.0 110.849 -178.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . 1.21 ' HZ3' ' CE ' ' B' ' 64' ' ' LYS . 38.6 pttt -132.45 147.42 52.37 Favored 'General case' 0 C--O 1.195 -1.802 0 CA-C-O 121.319 0.58 . . . . 0.0 110.795 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 1.043 HD13 ' CG ' ' B' ' 65' ' ' LEU . 22.4 tp -127.58 121.79 31.51 Favored 'General case' 0 C--O 1.167 -3.255 0 O-C-N 121.738 -0.601 . . . . 0.0 110.543 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' TYR . . . . . 1.351 ' CZ ' ' CD2' ' B' ' 66' ' ' TYR . 8.1 m-85 -77.08 123.15 25.96 Favored 'General case' 0 C--N 1.275 -2.657 0 O-C-N 120.707 -1.246 . . . . 0.0 110.029 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . 0.995 HG11 ' CG1' ' B' ' 67' ' ' VAL . 30.5 m -134.8 152.18 32.62 Favored 'Isoleucine or valine' 1 C--O 1.087 -7.454 0 CA-C-O 121.858 0.837 . . . . 0.0 111.724 -178.719 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -118.58 149.72 40.88 Favored 'General case' 1 C--N 1.212 -5.372 0 O-C-N 116.596 -3.815 . . . . 0.0 109.396 177.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' ILE . . . . . 1.051 HD13 ' CG1' ' B' ' 69' ' ' ILE . 0.1 OUTLIER -97.09 155.62 3.54 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.241 0 O-C-N 121.036 -1.04 . . . . 0.0 111.366 -178.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . 0.522 ' HG3' ' HD2' ' B' ' 71' ' ' PRO . 2.7 tpt85 -148.55 146.03 21.53 Favored Pre-proline 0 C--O 1.193 -1.884 0 C-N-CA 122.855 0.462 . . . . 0.0 109.817 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . 0.522 ' HD2' ' HG3' ' B' ' 70' ' ' ARG . 6.1 Cg_endo -73.17 10.05 1.26 Allowed 'Trans proline' 0 C--O 1.207 -1.054 0 C-N-CA 123.405 2.737 . . . . 0.0 113.874 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 18.4 ttp 64.9 -83.69 0.03 OUTLIER 'General case' 0 C--O 1.201 -1.495 0 C-N-CA 123.731 0.813 . . . . 0.0 111.408 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -151.21 46.4 0.82 Allowed 'General case' 1 C--O 1.15 -4.132 0 CA-C-O 122.313 1.054 . . . . 0.0 110.625 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -103.49 -76.6 0.58 Allowed 'General case' 1 C--O 0.853 -19.771 0 CA-C-O 124.336 2.017 . . . . 0.0 111.371 -179.296 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 14.5 m -144.12 177.77 8.35 Favored 'General case' 1 C--N 1.074 -11.378 3 O-C-N 103.074 -12.267 . . . . 0.0 111.111 -179.212 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.89 125.32 28.86 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 121.136 0.493 . . . . 0.0 111.442 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' TRP . . . . . 0.467 ' CE2' ' HB3' ' B' ' 86' ' ' LYS . 6.5 m95 -127.45 156.99 41.23 Favored 'General case' 1 C--O 1.139 -4.741 0 CA-C-O 121.58 0.705 . . . . 0.0 110.351 179.887 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' THR . . . . . 1.328 ' HG1' ' CB ' ' B' ' 78' ' ' THR . 0.2 OUTLIER -90.14 106.97 18.84 Favored 'General case' 1 C--N 1.243 -4.041 0 O-C-N 118.859 -2.401 . . . . 0.0 109.237 178.422 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' THR . . . . . . . . . . . . . 6.3 t -71.15 154.7 41.51 Favored 'General case' 0 C--O 1.159 -3.698 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -178.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' ASP . . . . . 0.489 ' HB3' ' O ' ' B' ' 83' ' ' VAL . 6.5 t70 178.13 144.24 0.11 Allowed 'General case' 1 C--O 1.087 -7.454 0 C-N-CA 126.352 1.861 . . . . 0.0 109.877 179.402 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -87.97 -7.49 57.03 Favored 'General case' 1 C--N 1.212 -5.388 0 O-C-N 116.66 -3.775 . . . . 0.0 111.568 -179.588 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -118.91 -19.85 4.28 Favored Glycine 1 C--N 1.253 -4.038 0 O-C-N 119.814 -1.804 . . . . 0.0 113.164 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 1.061 HG12 ' CB ' ' B' ' 83' ' ' VAL . 2.4 m -149.12 123.63 1.79 Allowed 'Isoleucine or valine' 1 C--O 0.959 -14.19 0 CA-C-O 124.485 2.088 . . . . 0.0 110.679 -179.909 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . 0.509 ' HZ ' ' HD3' ' B' ' 71' ' ' PRO . 4.1 t80 -115.25 124.71 52.07 Favored 'General case' 1 C--N 1.114 -9.644 2 O-C-N 109.357 -8.34 . . . . 0.0 110.604 -179.319 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' TYR . . . . . . . . . . . . . 37.8 p90 -155.88 159.79 39.62 Favored 'General case' 0 C--N 1.284 -2.264 0 O-C-N 121.074 -1.017 . . . . 0.0 110.614 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . 1.302 ' HZ3' ' CE ' ' B' ' 86' ' ' LYS . 9.9 ptmm? -98.42 130.1 45.05 Favored 'General case' 0 C--O 1.178 -2.706 0 CA-C-O 121.188 0.518 . . . . 0.0 110.798 179.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.99 -33.5 68.16 Favored 'General case' 1 C--O 1.113 -6.125 0 O-C-N 121.262 -0.898 . . . . 0.0 111.514 179.772 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -88.59 117.07 27.29 Favored 'General case' 1 C--N 1.236 -4.33 0 O-C-N 118.546 -2.596 . . . . 0.0 110.492 179.304 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 27.7 m -78.89 137.66 21.48 Favored 'Isoleucine or valine' 1 C--O 1.096 -7.024 0 O-C-N 121.273 -0.892 . . . . 0.0 112.991 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 156.03 175.49 27.08 Favored Glycine 3 C--O 1.092 -8.743 0 O-C-N 119.666 -1.896 . . . . 0.0 111.556 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 1.7 m -61.4 144.6 53.79 Favored 'General case' 1 C--N 1.226 -4.771 0 O-C-N 117.86 -3.141 . . . . 0.0 111.662 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' TRP . . . . . 0.447 ' HH2' HG21 ' B' ' 96' ' ' ILE . 40.4 t90 -157.61 166.04 33.93 Favored 'General case' 1 C--O 0.902 -17.203 0 O-C-N 120.146 -1.596 . . . . 0.0 110.475 -178.81 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . 166.34 76.14 0.03 OUTLIER Glycine 2 C--N 1.146 -10.022 3 O-C-N 109.408 -8.307 . . . . 0.0 113.022 179.412 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -141.3 151.5 22.64 Favored Glycine 2 C--O 0.976 -16.016 0 O-C-N 118.103 -2.998 . . . . 0.0 113.36 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' THR . . . . . 0.43 ' HA ' ' O ' ' B' ' 28' ' ' VAL . 0.6 OUTLIER -58.21 126.36 27.18 Favored 'General case' 1 C--N 1.124 -9.224 3 O-C-N 110.643 -7.386 . . . . 0.0 113.038 -179.455 . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' ILE . . . . . 1.095 HD11 ' CG1' ' B' ' 96' ' ' ILE . 12.5 pt -102.98 117.23 48.06 Favored 'Isoleucine or valine' 0 C--O 1.173 -2.929 0 CA-C-O 121.12 0.486 . . . . 0.0 110.444 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -71.59 174.91 41.48 Favored Glycine 1 C--O 1.106 -7.869 0 O-C-N 120.636 -1.29 . . . . 0.0 113.575 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' ILE . . . . . 1.382 HD13 ' CG1' ' B' ' 98' ' ' ILE . 41.7 mt -124.77 124.56 68.2 Favored 'Isoleucine or valine' 1 C--N 1.214 -5.297 0 O-C-N 117.48 -3.365 . . . . 0.0 108.743 -179.72 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' TYR . . . . . 0.406 ' HA ' ' O ' ' B' ' 23' ' ' ALA . 2.3 m-85 -103.13 -166.53 1.28 Allowed 'General case' 1 C--O 1.044 -9.715 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -179.3 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 9.5 p -130.46 145.84 34.96 Favored 'Isoleucine or valine' 1 C--N 1.208 -5.553 1 O-C-N 114.92 -4.863 . . . . 0.0 109.954 179.85 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -101.89 84.92 2.61 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-O 121.181 0.515 . . . . 0.0 111.633 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 67.02 32.03 79.63 Favored Glycine 0 C--O 1.197 -2.162 0 CA-C-N 115.852 -0.613 . . . . 0.0 114.426 178.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 50.33 -168.67 0.03 OUTLIER 'General case' 0 C--O 1.196 -1.75 0 C-N-CA 124.56 1.144 . . . . 0.0 112.344 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -164.47 15.26 0.05 Allowed 'General case' 1 C--O 1.11 -6.281 0 CA-C-O 122.262 1.03 . . . . 0.0 111.829 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' THR . . . . . 0.511 ' O ' ' CB ' ' B' ' 106' ' ' ASN . 14.3 m 78.17 -45.48 0.42 Allowed 'General case' 2 C--O 0.927 -15.919 0 O-C-N 117.662 -3.148 . . . . 0.0 112.637 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' B' ' 105' ' ' THR . 0.0 OUTLIER 79.84 92.88 0.05 Allowed 'General case' 2 C--N 1.057 -12.118 3 O-C-N 107.816 -9.302 . . . . 0.0 117.215 178.38 . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.34 134.46 40.46 Favored Pre-proline 1 C--N 1.232 -4.516 0 O-C-N 120.333 -1.48 . . . . 0.0 108.658 176.932 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -38.4 94.68 0.02 OUTLIER 'Trans proline' 0 C--O 1.186 -2.086 1 C-N-CA 126.069 4.513 . . . . 0.0 116.384 -177.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -104.65 179.91 0.1 Allowed 'Trans proline' 1 C--O 1.048 -9.011 0 C-N-CA 124.908 3.739 . . . . 0.0 114.177 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . -124.91 -53.66 0.18 Allowed Glycine 2 C--O 1.104 -8.027 1 O-C-N 114.802 -4.936 . . . . 0.0 112.918 178.665 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -146.75 149.37 33.25 Favored 'General case' 2 C--O 1.03 -10.496 0 O-C-N 118.021 -3.046 . . . . 0.0 113.258 -179.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -135.2 139.17 44.32 Favored 'General case' 2 C--N 1.202 -5.827 1 O-C-N 115.802 -4.311 . . . . 0.0 111.569 179.379 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 8.7 m -130.96 138.9 49.93 Favored 'General case' 1 C--N 1.241 -4.123 0 O-C-N 118.164 -2.835 . . . . 0.0 111.485 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . 1.195 HD23 ' CG ' ' B' ' 114' ' ' LEU . 0.6 OUTLIER -139.1 131.63 28.73 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-O 121.012 0.434 . . . . 0.0 110.381 179.084 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.97 123.13 41.83 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-O 120.84 0.353 . . . . 0.0 110.996 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 73.2 mt -112.35 119.14 37.26 Favored 'General case' 0 C--N 1.308 -1.218 0 O-C-N 122.092 -0.38 . . . . 0.0 111.458 -179.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -83.44 155.68 23.31 Favored 'General case' 0 C--O 1.182 -2.481 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 178.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -123.67 159.77 18.27 Favored Glycine 1 C--O 1.12 -6.979 0 O-C-N 120.442 -1.411 . . . . 0.0 112.901 -178.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' GLY . . . . . 0.432 ' HA2' ' O ' ' B' ' 130' ' ' THR . . . 158.48 -145.93 12.42 Favored Glycine 1 C--N 1.24 -4.751 0 O-C-N 118.458 -2.789 . . . . 0.0 111.515 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -129.32 169.7 14.54 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 117.522 0.661 . . . . 0.0 110.675 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 121' ' ' TRP . . . . . . . . . . . . . 34.5 t-105 -130.86 145.46 52.0 Favored 'General case' 1 C--O 1.137 -4.862 0 CA-C-O 121.289 0.566 . . . . 0.0 111.452 -178.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -129.98 142.48 50.63 Favored 'General case' 0 C--N 1.25 -3.756 0 O-C-N 119.426 -2.046 . . . . 0.0 110.677 178.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 65.06 -145.58 0.23 Allowed 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 122.866 0.466 . . . . 0.0 110.626 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 124' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -157.07 143.53 18.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 122.266 -0.271 . . . . 0.0 111.035 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 4.1 t30 56.19 8.59 0.41 Allowed 'General case' 1 C--O 1.051 -9.368 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 178.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 22.8 pttt -105.09 9.58 34.24 Favored 'General case' 1 C--N 1.219 -5.103 1 O-C-N 115.136 -4.728 . . . . 0.0 111.614 -179.557 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 56.74 42.55 26.61 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.422 0.63 . . . . 0.0 110.883 -179.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . -84.37 68.71 3.47 Favored Glycine 0 C--O 1.188 -2.772 0 C-N-CA 121.104 -0.57 . . . . 0.0 112.837 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -104.36 165.54 10.99 Favored 'General case' 1 C--O 1.071 -8.31 0 O-C-N 121.7 -0.883 . . . . 0.0 111.308 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 130' ' ' THR . . . . . 0.432 ' O ' ' HA2' ' B' ' 119' ' ' GLY . 13.7 m -154.95 122.79 2.88 Favored Pre-proline 1 C--N 1.232 -4.514 0 O-C-N 117.955 -2.965 . . . . 0.0 110.421 -179.749 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -64.82 99.48 0.32 Allowed 'Trans proline' 1 C--O 1.119 -5.459 0 C-N-CA 123.348 2.699 . . . . 0.0 112.592 179.344 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 15.3 m -133.22 68.22 1.51 Allowed 'General case' 1 C--N 1.233 -4.478 0 O-C-N 118.411 -2.681 . . . . 0.0 110.32 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 133' ' ' GLY . . . . . . . . . . . . . . . 167.56 -125.86 1.36 Allowed Glycine 2 C--O 1.159 -4.573 0 O-C-N 119.814 -1.804 . . . . 0.0 112.976 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -143.73 152.18 40.96 Favored 'General case' 0 C--N 1.263 -3.171 0 O-C-N 120.266 -1.726 . . . . 0.0 111.065 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 135' ' ' THR . . . . . 1.033 HG21 ' CB ' ' B' ' 135' ' ' THR . 2.6 m -91.33 120.67 32.4 Favored 'General case' 0 C--N 1.276 -2.592 0 O-C-N 121.173 -0.955 . . . . 0.0 110.087 178.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -97.91 158.57 20.75 Favored Glycine 1 C--O 1.125 -6.708 0 C-N-CA 121.107 -0.568 . . . . 0.0 113.331 -179.078 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 137' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -122.33 105.07 9.87 Favored 'General case' 2 C--O 1.138 -4.785 0 O-C-N 118.683 -2.657 . . . . 0.0 110.92 -179.894 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 138' ' ' THR . . . . . 1.134 ' HG1' ' CB ' ' B' ' 138' ' ' THR . 3.6 m -92.82 132.19 37.21 Favored 'General case' 1 C--N 1.239 -4.206 0 O-C-N 118.59 -2.569 . . . . 0.0 110.588 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 139' ' ' LYS . . . . . 1.267 ' HZ2' ' CE ' ' B' ' 139' ' ' LYS . 6.5 mtmt -119.05 130.28 55.55 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-O 121.515 0.674 . . . . 0.0 110.965 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 140' ' ' LEU . . . . . 1.316 HD23 ' CG ' ' B' ' 140' ' ' LEU . 13.1 tp -112.73 129.3 56.46 Favored 'General case' 1 C--O 1.094 -7.09 0 CA-C-O 121.408 0.623 . . . . 0.0 110.329 179.817 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 141' ' ' THR . . . . . . . . . . . . . 1.4 m -99.32 133.42 43.65 Favored 'General case' 2 C--O 1.119 -5.764 0 O-C-N 116.857 -3.652 . . . . 0.0 109.957 179.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 142' ' ' VAL . . . . . 0.418 ' CG1' ' HA ' ' B' ' 15' ' ' THR . 0.0 OUTLIER -126.84 110.11 22.4 Favored 'Isoleucine or valine' 1 C--N 1.24 -4.188 0 O-C-N 119.793 -1.817 . . . . 0.0 112.154 -178.271 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' B' B ' 143' ' ' THR . . . . . 1.335 ' HG1' ' CB ' ' B' ' 143' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.169 -3.18 0 CA-C-O 118.218 -0.896 . . . . 0.0 112.502 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.428 -1.527 0 CA-C-O 120.652 0.263 . . . . 0.0 110.563 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.682 ' HB1' ' OG1' ' A' ' 133' ' ' THR . . . 68.95 -73.12 0.09 Allowed 'General case' 0 C--O 1.196 -1.735 0 C-N-CA 123.299 0.639 . . . . 0.0 112.248 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 52.13 74.83 0.25 Allowed 'General case' 0 C--O 1.188 -2.159 0 C-N-CA 123.621 0.768 . . . . 0.0 112.794 178.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.677 ' HG ' ' H ' ' A' ' 115' ' ' GLY . 0.7 OUTLIER -112.21 129.63 56.2 Favored 'General case' 0 C--N 1.281 -2.373 0 O-C-N 120.896 -1.127 . . . . 0.0 110.525 179.786 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.44 ' N ' HD13 ' A' ' 4' ' ' LEU . 10.3 t60 -135.05 133.82 39.73 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-O 121.072 0.463 . . . . 0.0 110.331 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.56 HD13 ' OG1' ' A' ' 137' ' ' THR . 37.3 mt -108.24 166.47 10.73 Favored 'General case' 0 C--O 1.191 -2.02 0 CA-C-O 120.93 0.395 . . . . 0.0 111.247 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -157.41 142.68 17.1 Favored 'General case' 0 C--O 1.159 -3.687 0 C-N-CA 123.596 0.758 . . . . 0.0 109.793 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.6 t -109.75 150.44 28.33 Favored 'General case' 0 C--N 1.255 -3.501 0 O-C-N 119.673 -1.892 . . . . 0.0 110.45 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.487 HH11 ' HD3' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -87.02 4.48 41.74 Favored 'General case' 0 C--O 1.182 -2.452 0 CA-C-O 120.593 0.235 . . . . 0.0 111.445 179.899 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 174.61 -65.54 0.11 Allowed Glycine 1 C--O 1.076 -9.759 0 CA-C-O 124.278 2.043 . . . . 0.0 112.985 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.603 ' O ' ' HB2' ' A' ' 12' ' ' SER . . . 134.33 -14.22 4.55 Favored Glycine 3 C--O 0.909 -20.18 2 CA-C-O 110.763 -5.465 . . . . 0.0 117.496 -179.949 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.603 ' HB2' ' O ' ' A' ' 11' ' ' GLY 0.401 0.7 OUTLIER -178.39 -143.61 0.02 OUTLIER 'General case' 4 C--O 0.948 -14.781 3 CA-C-N 128.903 6.352 . . . . 0.0 123.255 179.941 . . . . . . . . 6 4 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 141.21 160.21 8.21 Favored Glycine 4 C--O 0.669 -35.2 0 O-C-N 116.455 -3.903 . . . . 0.0 117.813 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.0 t -116.59 -30.21 5.9 Favored 'General case' 2 C--O 0.9 -17.335 3 O-C-N 92.002 -18.352 . . . . 0.0 112.099 179.042 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -112.9 78.69 1.15 Allowed 'General case' 2 C--N 1.114 -9.666 3 O-C-N 108.428 -8.92 . . . . 0.0 111.724 178.814 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -95.15 116.51 28.82 Favored 'General case' 1 C--N 1.241 -4.13 0 O-C-N 120.36 -1.462 . . . . 0.0 112.37 -179.018 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.432 ' HD2' HH11 ' A' ' 17' ' ' ARG . 8.1 mtp85 -91.03 176.02 6.74 Favored 'General case' 0 C--N 1.271 -2.821 0 O-C-N 121.2 -0.937 . . . . 0.0 110.405 179.324 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.444 ' HA ' ' HA ' ' A' ' 99' ' ' ASP . 8.6 p-10 -73.71 139.92 45.64 Favored 'General case' 1 C--O 1.12 -5.73 0 O-C-N 121.932 -0.48 . . . . 0.0 109.946 179.39 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.35 12.13 81.04 Favored Glycine 1 C--N 1.234 -5.088 0 O-C-N 119.485 -2.009 . . . . 0.0 115.35 -178.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.99 133.24 35.45 Favored 'General case' 1 C--O 1.109 -6.319 0 CA-C-N 117.056 0.428 . . . . 0.0 110.692 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 97' ' ' MET . 28.5 mttm -78.19 160.11 28.16 Favored 'General case' 1 C--O 1.121 -5.688 0 O-C-N 119.068 -2.27 . . . . 0.0 112.509 -178.941 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -131.72 -53.65 0.86 Allowed 'Isoleucine or valine' 1 C--N 1.236 -4.363 0 O-C-N 119.633 -1.917 . . . . 0.0 111.23 179.743 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -126.7 153.85 44.89 Favored 'General case' 2 C--O 0.971 -13.588 0 CA-C-O 116.1 -1.905 . . . . 0.0 112.985 179.217 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.0 m -148.08 87.73 1.62 Allowed 'General case' 3 C--O 1.016 -11.23 1 CA-C-N 127.419 4.645 . . . . 0.0 112.765 -179.189 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.463 ' HA3' HD23 ' A' ' 6' ' ' LEU . . . -101.04 -176.02 29.15 Favored Glycine 2 C--N 1.19 -7.544 1 O-C-N 114.502 -5.124 . . . . 0.0 115.132 178.554 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.412 ' HD3' HH11 ' A' ' 26' ' ' ARG . 0.0 OUTLIER -131.33 144.47 51.27 Favored 'General case' 0 N--CA 1.421 -1.908 0 CA-C-O 120.968 0.413 . . . . 0.0 110.955 -179.547 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.502 ' O ' ' HA ' ' A' ' 91' ' ' GLN . 16.3 tt -120.2 159.34 21.63 Favored 'Isoleucine or valine' 1 C--O 1.142 -4.554 0 C-N-CA 123.13 0.572 . . . . 0.0 109.716 -179.589 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.489 HG21 HD13 ' A' ' 28' ' ' ILE . 1.1 pt -130.71 169.41 21.51 Favored 'Isoleucine or valine' 1 C--O 1.097 -6.961 0 O-C-N 118.811 -2.431 . . . . 0.0 110.912 -178.192 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.413 ' HB2' ' CE1' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -148.18 172.35 14.46 Favored 'General case' 2 C--O 1.129 -5.26 0 O-C-N 118.098 -2.876 . . . . 0.0 109.382 179.108 -144.489 108.488 -74.748 104.163 2.01 104.447 -111.451 -177.971 4 4 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -106.66 -86.78 0.48 Allowed 'General case' 0 C--N 1.25 -3.759 0 O-C-N 118.418 -2.676 . . . . 0.0 112.563 -178.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.421 ' HB3' ' H ' ' A' ' 32' ' ' ALA . 30.4 mt-10 -96.62 -165.08 1.22 Allowed 'General case' 0 C--N 1.291 -1.947 0 O-C-N 121.61 -0.681 . . . . 0.0 111.401 -179.266 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.421 ' H ' ' HB3' ' A' ' 31' ' ' GLU . . . -56.19 124.42 17.85 Favored 'General case' 1 C--O 1.132 -5.108 0 N-CA-C 112.268 0.469 . . . . 0.0 112.268 -179.58 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -147.44 166.78 26.19 Favored 'General case' 0 C--N 1.25 -3.757 0 O-C-N 119.441 -2.037 . . . . 0.0 109.969 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.92 9.84 7.57 Favored 'General case' 0 C--O 1.202 -1.435 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.565 179.398 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.586 ' C ' ' HB3' ' A' ' 84' ' ' SER . . . -155.24 117.21 0.77 Allowed Glycine 0 N--CA 1.419 -2.48 0 N-CA-C 115.468 0.947 . . . . 0.0 115.468 -179.361 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.756 ' CE2' ' HA2' ' A' ' 87' ' ' GLY . 11.4 m-85 -83.52 84.69 7.44 Favored 'General case' 0 C--O 1.172 -3.013 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 177.641 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.526 ' H ' ' HA ' ' A' ' 117' ' ' CYS . 3.9 m80 -52.31 109.14 0.35 Allowed 'General case' 0 C--N 1.282 -2.348 0 O-C-N 120.992 -1.068 . . . . 0.0 112.514 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.506 HG12 ' HZ3' ' A' ' 72' ' ' TRP . 0.7 OUTLIER -133.43 146.68 31.72 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.729 0 C-N-CA 122.653 0.381 . . . . 0.0 110.009 179.047 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.664 ' O ' ' HA ' ' A' ' 113' ' ' VAL . 4.9 p90 -137.01 170.02 16.8 Favored 'General case' 0 C--O 1.204 -1.328 0 O-C-N 121.905 -0.497 . . . . 0.0 111.012 -179.535 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.617 ' SD ' ' HB ' ' A' ' 113' ' ' VAL . 14.9 mmt -119.13 -41.87 2.72 Favored 'General case' 0 C--N 1.307 -1.269 0 O-C-N 122.26 -0.275 . . . . 0.0 111.087 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 64.51 81.45 0.21 Allowed 'General case' 0 C--O 1.209 -1.076 0 CA-C-O 121.359 0.6 . . . . 0.0 111.603 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.44 ' H ' ' NE2' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -148.78 -85.84 0.09 Allowed 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 122.662 0.385 . . . . 0.0 111.073 -179.682 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.25 78.06 0.73 Allowed 'General case' 0 C--O 1.198 -1.641 0 CA-C-O 121.541 0.686 . . . . 0.0 110.261 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.498 ' HG2' ' HB2' ' A' ' 81' ' ' LYS . 8.2 mp0 -79.92 154.63 28.18 Favored 'General case' 0 C--N 1.289 -2.047 0 CA-C-O 121.466 0.65 . . . . 0.0 111.246 -178.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.5 t -95.21 86.8 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.772 0 CA-C-O 121.438 0.637 . . . . 0.0 110.438 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 59.2 -122.68 1.19 Allowed 'General case' 1 C--O 1.107 -6.417 0 C-N-CA 123.191 0.596 . . . . 0.0 111.671 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -84.71 20.5 14.62 Favored Glycine 2 C--O 1.042 -11.887 0 O-C-N 118.101 -2.874 . . . . 0.0 114.536 -179.408 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.515 ' HA ' ' NE ' ' A' ' 48' ' ' ARG . 1.2 mmp_? -70.54 110.14 5.24 Favored 'General case' 2 C--N 1.18 -6.765 1 O-C-N 114.891 -4.888 . . . . 0.0 109.705 179.326 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.768 ' HB1' HG13 ' A' ' 83' ' ' VAL . . . -103.79 -32.76 9.17 Favored 'General case' 2 C--O 0.825 -21.275 1 CA-C-O 134.616 6.912 . . . . 0.0 117.461 -179.131 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.959 ' O ' ' HB2' ' A' ' 51' ' ' ARG . 1.6 pm0 -110.97 44.82 1.23 Allowed 'General case' 2 C--N 0.876 -20.001 3 O-C-N 94.305 -17.747 . . . . 0.0 114.466 -179.57 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.959 ' HB2' ' O ' ' A' ' 50' ' ' GLU . 0.2 OUTLIER 152.86 129.67 0.0 OUTLIER 'General case' 2 C--N 1.078 -11.204 1 O-C-N 108.903 -8.623 . . . . 0.0 109.802 179.542 . . . . . . . . 5 4 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.441 ' HE1' ' HG3' ' A' ' 40' ' ' MET . 0.1 OUTLIER -160.82 138.39 9.34 Favored 'General case' 2 C--O 0.965 -13.896 1 O-C-N 115.229 -4.669 . . . . 0.0 113.944 -178.914 . . . . . . . . 5 4 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.575 ' HA ' ' HA ' ' A' ' 64' ' ' ARG . 3.0 p -78.54 105.36 7.61 Favored 'Isoleucine or valine' 1 C--N 1.124 -9.215 3 O-C-N 111.208 -7.183 . . . . 0.0 111.176 178.983 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.647 HG22 ' O ' ' A' ' 63' ' ' LEU . 2.3 m -79.94 170.45 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.244 0 CA-C-O 121.108 0.48 . . . . 0.0 111.618 -178.517 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -122.08 164.79 17.11 Favored 'General case' 1 C--O 1.128 -5.325 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.61 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.8 p -80.17 172.81 13.28 Favored 'General case' 0 C--N 1.252 -3.644 0 O-C-N 119.049 -2.282 . . . . 0.0 110.49 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.5 ttpp -64.18 -40.81 96.9 Favored 'General case' 1 C--O 1.022 -10.883 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.437 ' OD2' ' HD3' ' A' ' 60' ' ' ARG . 37.9 t70 -88.88 0.74 56.3 Favored 'General case' 2 C--O 0.598 -33.23 2 CA-C-O 130.956 5.169 . . . . 0.0 110.283 178.464 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 58.18 79.26 0.1 Allowed Glycine 2 C--N 0.962 -20.235 3 O-C-N 82.284 -25.26 . . . . 0.0 112.84 179.428 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.437 ' HD3' ' OD2' ' A' ' 58' ' ' ASP . 11.2 ptt-85 -161.68 -13.18 0.04 OUTLIER 'General case' 1 C--N 1.22 -5.031 0 O-C-N 117.842 -3.152 . . . . 0.0 110.969 179.507 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.638 ' CE1' ' HB3' ' A' ' 105' ' ' ALA . 38.1 m-70 -132.49 128.38 37.25 Favored 'General case' 0 C--O 1.192 -1.933 0 O-C-N 122.277 -0.264 . . . . 0.0 110.574 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -100.95 142.74 31.99 Favored 'General case' 0 C--N 1.29 -2.019 0 O-C-N 121.801 -0.562 . . . . 0.0 110.827 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.647 ' O ' HG22 ' A' ' 54' ' ' VAL . 21.0 tp -135.26 105.49 6.31 Favored 'General case' 1 C--O 1.138 -4.773 0 CA-C-O 121.761 0.791 . . . . 0.0 111.547 -179.738 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.575 ' HA ' ' HA ' ' A' ' 53' ' ' VAL . 28.9 mtp85 -70.84 135.61 48.19 Favored 'General case' 2 C--O 1.104 -6.586 0 O-C-N 119.369 -2.082 . . . . 0.0 111.127 179.79 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.689 ' HA ' ' HA ' ' A' ' 98' ' ' ALA . 18.3 m -131.51 129.38 61.86 Favored 'Isoleucine or valine' 1 C--O 1.097 -6.936 0 O-C-N 118.181 -2.824 . . . . 0.0 113.638 -179.036 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.406 ' HD3' HH11 ' A' ' 66' ' ' ARG . 8.0 mmm-85 -93.58 69.75 4.16 Favored 'General case' 2 C--O 1.124 -5.53 0 O-C-N 118.392 -2.692 . . . . 0.0 110.826 178.049 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . 1.186 ' CG2' ' CA ' ' A' ' 67' ' ' THR . 8.9 t -87.01 -30.37 21.27 Favored 'General case' 2 C--O 0.967 -13.811 0 O-C-N 120.052 -1.655 . . . . 0.0 113.919 -179.845 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -48.98 -19.79 1.61 Allowed Glycine 4 C--O 0.844 -24.267 3 N-CA-C 132.321 7.688 . . . . 0.0 132.321 -179.956 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.661 ' O ' ' HB3' ' A' ' 70' ' ' ASP . . . 99.44 -3.82 58.05 Favored Glycine 4 N--CA 1.126 -21.987 2 N-CA-C 164.665 20.626 . . . . 0.0 164.665 -179.782 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.661 ' HB3' ' O ' ' A' ' 69' ' ' GLY 0.283 22.9 t70 67.55 -57.38 0.45 Allowed 'General case' 4 C--O 0.739 -25.808 0 CA-C-O 125.484 2.564 . . . . 0.0 107.966 -179.756 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -125.47 38.95 2.16 Favored Glycine 4 C--N 0.966 -20.009 3 O-C-N 98.092 -15.38 . . . . 0.0 122.515 179.519 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.639 ' CD1' ' HA3' ' A' ' 69' ' ' GLY . 13.5 m95 -99.44 174.52 6.23 Favored 'General case' 2 C--O 1.08 -7.862 0 O-C-N 120.263 -1.727 . . . . 0.0 109.866 179.405 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.408 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 4.9 m -133.89 127.07 19.13 Favored Pre-proline 1 C--N 1.218 -5.113 0 O-C-N 116.849 -3.657 . . . . 0.0 111.197 -179.585 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.574 ' HA ' HG12 ' A' ' 83' ' ' VAL . 2.0 Cg_endo -71.25 91.72 0.66 Allowed 'Trans proline' 0 C--O 1.161 -3.374 0 C-N-CA 122.798 2.332 . . . . 0.0 113.21 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.429 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -127.28 63.07 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.27 -2.889 0 O-C-N 120.321 -1.487 . . . . 0.0 111.651 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 75' ' ' VAL . 38.3 mtmt 66.99 171.75 0.26 Allowed 'General case' 0 C--O 1.177 -2.754 0 CA-C-O 122.837 1.303 . . . . 0.0 112.261 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -162.32 168.14 37.18 Favored Glycine 2 C--O 0.924 -19.257 0 CA-C-O 126.817 3.454 . . . . 0.0 112.699 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -112.41 135.6 52.91 Favored 'General case' 2 C--N 1.038 -12.962 3 O-C-N 104.291 -11.123 . . . . 0.0 109.319 179.867 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.7 -65.46 4.11 Favored Glycine 4 C--O 0.986 -15.356 0 O-C-N 117.836 -3.04 . . . . 0.0 119.667 -179.485 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -151.29 71.6 0.29 Allowed Glycine 3 N--CA 1.324 -8.778 1 CA-C-N 124.876 4.338 . . . . 0.0 112.61 179.578 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.532 ' O ' ' HB3' ' A' ' 39' ' ' TRP . 45.9 mmtt 58.69 -159.84 0.28 Allowed 'General case' 1 C--O 1.134 -4.979 0 C-N-CA 126.781 2.032 . . . . 0.0 110.725 179.895 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.467 ' HA3' ' O ' ' A' ' 38' ' ' VAL . . . 137.12 177.31 14.94 Favored Glycine 2 C--O 0.986 -15.404 0 CA-C-O 115.845 -2.641 . . . . 0.0 114.302 -179.416 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.768 HG13 ' HB1' ' A' ' 49' ' ' ALA . 0.1 OUTLIER -143.53 159.51 16.87 Favored 'Isoleucine or valine' 3 C--O 0.962 -14.066 1 CA-C-N 126.78 5.29 . . . . 0.0 118.703 179.47 . . . . . . . . 5 4 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.586 ' HB3' ' C ' ' A' ' 35' ' ' GLY . 8.8 m -122.64 121.9 37.54 Favored 'General case' 1 C--N 1.191 -6.307 2 O-C-N 114.578 -5.076 . . . . 0.0 115.351 -178.884 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.533 ' HB2' ' HD2' ' A' ' 86' ' ' PRO . 0.0 OUTLIER -95.93 164.26 19.1 Favored Pre-proline 0 C--O 1.182 -2.493 0 C-N-CA 123.543 0.737 . . . . 0.0 109.476 178.237 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.533 ' HD2' ' HB2' ' A' ' 85' ' ' ARG . 31.9 Cg_exo -40.16 105.34 0.05 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.109 0 C-N-CA 123.947 3.098 . . . . 0.0 113.229 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.756 ' HA2' ' CE2' ' A' ' 36' ' ' PHE . . . -90.82 49.89 3.12 Favored Glycine 0 N--CA 1.423 -2.198 0 N-CA-C 115.295 0.878 . . . . 0.0 115.295 -178.202 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -90.9 -17.58 26.2 Favored 'General case' 1 C--O 1.085 -7.563 0 CA-C-O 122.936 1.351 . . . . 0.0 109.772 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -89.3 168.14 12.49 Favored 'General case' 1 C--N 1.195 -6.144 0 O-C-N 117.028 -3.545 . . . . 0.0 111.09 179.348 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.41 ' O ' ' HA ' ' A' ' 28' ' ' ILE . 45.6 mt-10 -94.34 -25.54 16.94 Favored 'General case' 1 C--O 1.149 -4.226 0 O-C-N 122.213 -0.304 . . . . 0.0 111.194 179.886 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.502 ' HA ' ' O ' ' A' ' 27' ' ' ILE . 9.5 tt0 -159.53 116.33 2.61 Favored 'General case' 0 C--N 1.274 -2.717 0 O-C-N 120.344 -1.473 . . . . 0.0 111.192 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 31.2 m -124.27 166.38 19.69 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.569 0 CA-C-O 121.315 0.579 . . . . 0.0 110.384 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -111.4 147.17 35.79 Favored 'General case' 1 C--O 0.941 -15.15 0 CA-C-O 122.298 1.047 . . . . 0.0 111.646 -179.222 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.667 ' O ' ' CD1' ' A' ' 94' ' ' PHE . 50.7 p90 -131.6 99.24 4.73 Favored 'General case' 2 C--O 0.837 -20.63 3 O-C-N 110.533 -7.604 . . . . 0.0 114.822 179.198 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -85.27 139.81 31.33 Favored 'General case' 1 C--N 1.044 -12.703 3 O-C-N 101.712 -13.117 . . . . 0.0 112.824 -179.913 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 1.236 ' CG2' ' CA ' ' A' ' 96' ' ' VAL . 7.0 m -102.57 100.03 9.59 Favored 'Isoleucine or valine' 1 C--O 1.124 -5.508 0 CA-C-O 122.091 0.948 . . . . 0.0 111.871 -179.547 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.404 ' HA ' ' HA ' ' A' ' 21' ' ' LYS . 60.9 mtm -77.28 119.28 20.7 Favored 'General case' 2 C--O 1.059 -8.954 0 O-C-N 118.874 -2.391 . . . . 0.0 110.166 179.099 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.689 ' HA ' ' HA ' ' A' ' 65' ' ' VAL . . . -86.01 128.29 34.82 Favored 'General case' 1 C--N 1.2 -5.933 1 O-C-N 115.541 -4.474 . . . . 0.0 111.696 -179.39 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.474 ' OD1' ' NH1' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -99.24 50.89 0.94 Allowed 'General case' 0 C--O 1.181 -2.529 0 CA-C-O 122.943 1.354 . . . . 0.0 110.175 179.553 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -65.08 -63.68 4.01 Favored Glycine 0 C--N 1.261 -3.601 0 O-C-N 120.998 -1.064 . . . . 0.0 114.397 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.971 ' O ' ' HB2' ' A' ' 102' ' ' GLN . 16.5 t-20 63.85 83.6 0.16 Allowed 'General case' 1 C--O 0.952 -14.599 1 CA-C-O 130.047 4.737 . . . . 0.0 111.251 179.811 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.971 ' HB2' ' O ' ' A' ' 101' ' ' ASN . 33.0 tt0 137.91 -156.17 0.0 OUTLIER 'General case' 2 C--O 0.934 -15.538 1 O-C-N 105.456 -10.777 . . . . 0.0 111.24 179.227 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.06 138.19 47.77 Favored 'General case' 2 C--N 1.07 -11.567 3 O-C-N 106.134 -10.354 . . . . 0.0 110.129 -179.708 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 20.2 pt -104.86 139.06 26.97 Favored 'Isoleucine or valine' 1 C--N 1.236 -4.343 0 O-C-N 118.465 -2.647 . . . . 0.0 110.583 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.638 ' HB3' ' CE1' ' A' ' 61' ' ' HIS . . . -71.85 146.02 90.03 Favored Pre-proline 0 C--N 1.302 -1.495 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.128 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 105' ' ' ALA . 47.0 Cg_exo -52.24 126.83 21.62 Favored 'Trans proline' 1 C--O 1.141 -4.365 0 C-N-CA 123.635 2.89 . . . . 0.0 113.976 -179.551 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 180.0 -160.85 26.15 Favored Glycine 2 C--O 1.165 -4.207 0 O-C-N 119.661 -1.899 . . . . 0.0 111.229 179.55 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -130.95 126.79 36.98 Favored 'General case' 0 C--N 1.278 -2.539 0 CA-C-N 118.885 1.342 . . . . 0.0 110.978 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -111.58 105.02 13.45 Favored 'General case' 0 C--O 1.174 -2.915 0 CA-C-O 121.399 0.618 . . . . 0.0 109.426 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -103.48 127.63 50.83 Favored 'General case' 0 C--N 1.274 -2.699 0 O-C-N 120.481 -1.387 . . . . 0.0 111.526 -178.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.464 ' HE1' HG21 ' A' ' 54' ' ' VAL . 6.7 m-85 -117.12 148.89 41.16 Favored 'General case' 0 C--O 1.204 -1.301 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.486 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.54 ' HA ' ' O ' ' A' ' 135' ' ' GLY . 1.4 m -117.54 48.93 1.27 Allowed 'General case' 0 C--O 1.17 -3.086 0 CA-C-O 121.635 0.731 . . . . 0.0 110.449 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.664 ' HA ' ' O ' ' A' ' 39' ' ' TRP . 0.2 OUTLIER -72.97 131.6 34.63 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.634 0 O-C-N 121.049 -1.032 . . . . 0.0 112.518 -178.916 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.472 ' HA2' HD11 ' A' ' 4' ' ' LEU . . . -169.02 163.19 36.96 Favored Glycine 2 C--O 0.876 -22.223 0 CA-C-O 113.832 -3.76 . . . . 0.0 114.597 179.604 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.677 ' H ' ' HG ' ' A' ' 4' ' ' LEU . . . -159.2 163.29 33.28 Favored Glycine 4 C--O 0.941 -18.191 3 CA-C-N 131.452 7.626 . . . . 0.0 120.9 179.779 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -125.85 -27.03 3.38 Favored 'General case' 1 C--N 1.181 -6.754 3 CA-C-N 128.204 6.002 . . . . 0.0 114.14 -179.473 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.526 ' HA ' ' H ' ' A' ' 37' ' ' HIS . 50.4 t 72.16 -52.86 0.7 Allowed 'General case' 0 C--O 1.2 -1.517 0 C-N-CA 123.398 0.679 . . . . 0.0 111.551 179.987 -177.971 -111.451 -74.748 104.447 2.01 104.163 108.488 -144.489 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 14.8 m -51.2 149.06 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 N-CA-C 113.21 0.819 . . . . 0.0 113.21 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.416 ' CG2' ' HD2' ' A' ' 120' ' ' PRO . 11.6 p -94.31 138.45 22.47 Favored Pre-proline 0 C--N 1.293 -1.862 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.449 -179.522 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.438 ' HB2' ' H ' ' A' ' 121' ' ' GLN . 21.1 Cg_endo -67.39 -133.71 0.01 OUTLIER 'Trans proline' 1 C--O 0.977 -12.558 0 C-N-CA 122.687 2.258 . . . . 0.0 112.323 178.504 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.438 ' H ' ' HB2' ' A' ' 120' ' ' PRO . 6.2 pt20 -86.31 83.8 7.61 Favored 'General case' 1 C--N 1.164 -7.475 2 O-C-N 110.871 -7.393 . . . . 0.0 110.984 179.35 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -142.24 -175.81 4.58 Favored 'General case' 0 C--N 1.29 -2.012 0 O-C-N 121.446 -0.784 . . . . 0.0 110.124 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -70.7 91.63 0.83 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.008 0.432 . . . . 0.0 110.723 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 179.45 -28.74 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.013 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.478 ' HB3' ' H ' ' A' ' 126' ' ' GLN . 6.7 tmtt? 68.4 -98.83 0.04 OUTLIER 'General case' 0 C--O 1.217 -0.649 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.764 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.478 ' H ' ' HB3' ' A' ' 125' ' ' LYS . 49.2 mt-30 52.34 -147.53 0.45 Allowed 'General case' 0 C--O 1.171 -3.073 0 CA-C-O 121.495 0.664 . . . . 0.0 111.064 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -96.84 106.28 3.33 Favored Glycine 0 C--N 1.266 -3.336 0 O-C-N 120.219 -1.551 . . . . 0.0 110.309 178.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -51.99 109.22 0.35 Allowed 'General case' 0 C--N 1.283 -2.301 0 N-CA-C 112.932 0.715 . . . . 0.0 112.932 -178.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 2.7 m -132.78 86.49 43.72 Favored Pre-proline 0 C--O 1.206 -1.227 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.081 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.428 ' HA ' ' HB3' ' A' ' 120' ' ' PRO . 57.4 Cg_endo -80.61 14.38 2.03 Favored 'Trans proline' 1 C--O 1.142 -4.308 0 C-N-CA 123.344 2.696 . . . . 0.0 113.843 -179.312 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 13.2 m -136.96 120.3 16.89 Favored 'General case' 0 C--N 1.271 -2.82 0 O-C-N 119.937 -1.727 . . . . 0.0 112.461 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -99.36 132.78 11.05 Favored Glycine 1 C--O 0.984 -15.477 0 CA-C-O 119.419 -0.656 . . . . 0.0 114.238 179.122 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.682 ' OG1' ' HB1' ' A' ' 2' ' ' ALA . 0.0 OUTLIER -69.28 150.81 46.99 Favored 'General case' 2 C--O 1.085 -7.555 2 O-C-N 114.045 -5.385 . . . . 0.0 115.63 -178.977 . . . . . . . . 5 4 . 1 . 001 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.01 165.37 11.93 Favored 'General case' 2 C--O 1.027 -10.655 0 O-C-N 118.582 -2.574 . . . . 0.0 111.355 179.314 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLY . . . . . 0.54 ' O ' ' HA ' ' A' ' 112' ' ' SER . . . -125.31 172.47 17.33 Favored Glycine 2 C--N 1.193 -7.39 1 O-C-N 114.306 -5.247 . . . . 0.0 112.806 179.685 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -140.23 113.41 8.38 Favored 'General case' 0 C--N 1.275 -2.651 0 CA-C-N 119.941 1.871 . . . . 0.0 112.207 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.56 ' OG1' HD13 ' A' ' 6' ' ' LEU . 1.5 m -128.08 126.63 41.57 Favored 'General case' 0 C--N 1.29 -2.0 0 O-C-N 121.573 -0.704 . . . . 0.0 109.652 178.615 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 1.394 ' NZ ' ' CD ' ' A' ' 138' ' ' LYS . 0.3 OUTLIER -112.51 145.91 39.42 Favored 'General case' 1 C--O 1.105 -6.545 0 CA-C-O 120.948 0.404 . . . . 0.0 111.85 -179.632 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -125.92 77.81 1.7 Allowed 'General case' 1 C--N 1.23 -4.614 0 O-C-N 118.334 -2.729 . . . . 0.0 109.856 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 140' ' ' THR . . . . . 1.195 ' CG2' ' CA ' ' A' ' 140' ' ' THR . 2.4 m -87.99 130.64 34.9 Favored 'General case' 1 C--O 1.044 -9.737 0 O-C-N 120.863 -1.148 . . . . 0.0 112.0 -179.276 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 1.405 ' CG1' ' CA ' ' A' ' 141' ' ' VAL . 90.5 t -85.33 113.11 23.18 Favored 'Isoleucine or valine' 3 C--O 0.689 -28.423 2 CA-C-O 145.714 12.197 . . . . 0.0 113.606 179.891 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 142' ' ' THR . . . . . 1.34 ' CA ' ' C ' ' A' ' 141' ' ' VAL 1.132 0.2 OUTLIER . . . . . 4 C--O 0.202 -54.056 4 O-C-N 72.424 -31.423 . . . . 0.0 153.122 -179.9 . . . . . . . . 5 3 . 1 . 001 nuclear build full ' B' B ' 1' ' ' GLU . . . . . 1.302 ' N ' ' OXT' ' A' ' 142' ' ' THR 1.339 0.1 OUTLIER . . . . . 3 C--O 0.554 -35.515 1 N-CA-C 158.314 17.524 . . . . 0.0 158.314 . . . . . . . . . 5 3 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.712 ' CD ' ' HG2' ' B' ' 2' ' ' GLU 0.654 6.2 mm-40 -104.38 168.62 8.97 Favored 'General case' 3 N--CA 0.97 -24.449 4 CA-C-N 136.154 8.616 . . . . 0.0 126.142 179.163 . . . . . . . . 5 3 . 1 . 001 nuclear build full ' B' B ' 3' ' ' CYS . . . . . 0.46 ' N ' ' HB3' ' B' ' 2' ' ' GLU . 3.2 t -120.65 105.97 11.29 Favored 'General case' 1 C--N 1.027 -13.431 3 O-C-N 103.658 -11.901 . . . . 0.0 110.476 -179.926 -153.591 23.054 110.124 106.881 1.964 103.994 -101.985 -44.915 4 3 . 1 . 001 nuclear build full ' B' B ' 4' ' ' GLN . . . . . 1.479 ' NE2' ' CG ' ' B' ' 4' ' ' GLN . 11.5 tt0 -123.03 91.84 3.57 Favored 'General case' 1 C--O 1.088 -7.438 0 O-C-N 120.553 -1.342 . . . . 0.0 110.459 179.333 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.414 ' HA ' ' HA ' ' B' ' 32' ' ' ALA . 41.4 t -77.95 111.82 15.21 Favored 'Isoleucine or valine' 1 C--N 1.192 -6.267 1 O-C-N 116.165 -4.085 . . . . 0.0 111.67 -179.445 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ARG . . . . . 0.454 HH11 ' HD2' ' B' ' 6' ' ' ARG . 0.1 OUTLIER -92.66 142.32 27.5 Favored 'General case' 0 C--O 1.173 -2.926 0 CA-C-O 121.05 0.452 . . . . 0.0 110.032 179.485 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 11.7 p -144.97 153.47 14.38 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.795 0 O-C-N 120.489 -1.382 . . . . 0.0 110.644 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -136.68 143.98 15.51 Favored Glycine 1 C--O 1.14 -5.775 0 CA-C-N 118.685 0.675 . . . . 0.0 113.738 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.22 142.21 54.84 Favored 'General case' 1 C--N 1.243 -4.064 0 O-C-N 119.473 -2.192 . . . . 0.0 112.795 179.451 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.436 HD22 ' HA ' ' B' ' 28' ' ' VAL . 0.6 OUTLIER -144.28 160.11 41.55 Favored 'General case' 0 N--CA 1.427 -1.577 0 C-N-CA 122.754 0.422 . . . . 0.0 111.572 -179.817 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 2.5 m -133.74 124.08 26.02 Favored 'General case' 0 C--O 1.194 -1.832 0 CA-C-O 121.062 0.458 . . . . 0.0 110.869 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 11.9 p -109.38 162.63 6.99 Favored 'Isoleucine or valine' 1 C--O 1.091 -7.279 0 O-C-N 121.402 -0.811 . . . . 0.0 109.808 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.01 65.9 1.36 Allowed 'General case' 1 C--O 1.025 -10.744 0 CA-C-N 122.984 2.629 . . . . 0.0 114.164 -178.617 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -135.37 133.27 38.55 Favored 'General case' 2 C--O 1.032 -10.369 1 O-C-N 115.413 -4.554 . . . . 0.0 111.744 178.215 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' B' B ' 15' ' ' THR . . . . . 0.44 ' HA ' ' CG1' ' B' ' 142' ' ' VAL . 13.7 t -81.45 155.27 25.93 Favored 'General case' 1 C--N 1.165 -7.436 1 O-C-N 113.855 -5.528 . . . . 0.0 113.027 -178.399 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ARG . . . . . 0.665 ' HG2' HD22 ' B' ' 65' ' ' LEU . 60.2 mtp180 -64.95 -37.56 88.05 Favored 'General case' 1 C--O 1.141 -4.639 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.871 179.64 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -46.04 -16.08 0.14 Allowed Glycine 1 C--O 1.147 -5.317 0 N-CA-C 117.176 1.63 . . . . 0.0 117.176 178.091 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -92.49 -59.55 2.05 Favored 'General case' 1 C--O 1.023 -10.82 0 CA-C-N 118.625 1.212 . . . . 0.0 109.762 178.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 1.584 ' CD1' ' CB ' ' B' ' 19' ' ' LEU . 12.0 mt -46.68 100.06 0.02 OUTLIER 'General case' 1 C--N 1.161 -7.626 1 O-C-N 115.086 -4.759 . . . . 0.0 113.98 179.011 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.4 -43.5 7.98 Favored 'General case' 0 C--N 1.286 -2.192 0 CA-C-O 121.768 0.794 . . . . 0.0 111.083 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' B' ' 22' ' ' ALA . 32.8 t70 -141.36 130.51 23.41 Favored 'General case' 1 C--O 1.059 -8.967 0 O-C-N 121.24 -0.913 . . . . 0.0 110.538 179.688 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.668 ' HB1' ' HD2' ' B' ' 99' ' ' TYR . . . 4.87 89.79 0.01 OUTLIER 'General case' 1 C--N 1.227 -4.726 0 C-N-CA 129.689 3.196 . . . . 0.0 114.572 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.425 ' O ' ' HA ' ' B' ' 99' ' ' TYR . . . -130.79 137.34 30.56 Favored Pre-proline 0 C--N 1.3 -1.579 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.214 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' PRO . . . . . 0.407 ' HA ' ' O ' ' B' ' 98' ' ' ILE . 32.1 Cg_endo -72.49 119.16 5.95 Favored 'Trans proline' 0 C--O 1.208 -1.019 0 C-N-CA 122.743 2.295 . . . . 0.0 113.59 -179.204 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 1.2 pt -135.74 44.73 0.47 Allowed 'Isoleucine or valine' 1 C--O 1.085 -7.554 0 CA-C-O 121.985 0.898 . . . . 0.0 112.246 179.38 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 165.54 88.3 0.07 OUTLIER Glycine 1 C--N 1.213 -6.251 1 O-C-N 116.128 -4.108 . . . . 0.0 113.202 179.714 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_endo -80.3 98.31 1.09 Allowed 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 123.001 2.467 . . . . 0.0 112.719 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.444 ' O ' ' HA ' ' B' ' 95' ' ' THR . 11.7 t -75.26 123.09 30.36 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.376 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 4.6 t -74.25 107.01 6.16 Favored 'General case' 0 C--O 1.215 -0.739 0 CA-C-O 121.741 0.782 . . . . 0.0 111.115 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.443 HG11 HD11 ' B' ' 42' ' ' LEU . 46.5 t -122.22 125.39 72.85 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.553 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.858 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.55 111.08 12.38 Favored 'General case' 0 C--O 1.159 -3.662 0 O-C-N 121.604 -0.685 . . . . 0.0 112.252 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ALA . . . . . 0.414 ' HA ' ' HA ' ' B' ' 5' ' ' VAL . . . -86.42 145.67 26.75 Favored 'General case' 1 C--O 1.142 -4.578 0 O-C-N 120.312 -1.493 . . . . 0.0 111.615 179.475 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 16.9 tp -133.53 125.36 28.71 Favored 'General case' 0 C--N 1.271 -2.833 0 O-C-N 120.262 -1.524 . . . . 0.0 111.855 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.59 -6.37 69.64 Favored Glycine 0 C--O 1.169 -3.958 0 C-N-CA 121.12 -0.562 . . . . 0.0 114.078 178.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 10.2 m -81.54 67.94 7.69 Favored 'General case' 1 C--O 1.136 -4.898 0 O-C-N 120.757 -1.437 . . . . 0.0 110.87 -179.597 -44.915 -101.985 110.124 103.994 1.964 106.881 23.054 -153.591 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -86.15 -22.94 26.77 Favored 'General case' 0 C--N 1.257 -3.452 0 O-C-N 119.211 -2.181 . . . . 0.0 111.545 -179.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -131.62 26.83 4.71 Favored 'General case' 0 C--O 1.2 -1.522 0 CA-C-O 121.409 0.624 . . . . 0.0 110.681 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.33 144.48 51.04 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.373 -0.829 . . . . 0.0 111.192 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -88.32 98.69 11.73 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.593 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' B' ' 85' ' ' TYR . 46.2 t -56.72 129.89 18.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.032 179.302 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.4 ' HB2' ' HB3' ' B' ' 85' ' ' TYR . . . -136.04 135.69 39.62 Favored 'General case' 0 C--O 1.183 -2.407 0 CA-C-O 122.155 0.979 . . . . 0.0 112.592 -178.412 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.443 HD11 HG11 ' B' ' 30' ' ' VAL . 1.4 mp -116.57 143.29 45.8 Favored 'General case' 0 C--N 1.275 -2.631 0 O-C-N 121.048 -1.032 . . . . 0.0 109.039 178.407 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.494 ' HZ2' ' HG3' ' B' ' 43' ' ' LYS . 6.4 mtmm -152.67 125.2 8.25 Favored 'General case' 0 C--O 1.178 -2.701 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -179.329 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.423 ' HA ' ' HA ' ' B' ' 116' ' ' LEU . . . -58.96 149.95 25.82 Favored 'General case' 0 C--O 1.156 -3.859 0 C-N-CA 123.229 0.612 . . . . 0.0 111.814 178.68 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -64.46 162.11 15.86 Favored 'General case' 0 C--N 1.27 -2.871 0 C-N-CA 124.027 0.931 . . . . 0.0 112.12 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 13.4 t -54.76 -23.63 18.81 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 -178.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -76.01 -29.04 57.99 Favored 'General case' 1 C--O 1.123 -5.593 0 CA-C-O 120.869 0.366 . . . . 0.0 111.138 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' ASN . . . . . 0.527 ' HB3' ' O ' ' B' ' 55' ' ' PHE . 0.1 OUTLIER -110.33 -5.55 15.21 Favored 'General case' 1 C--O 1.092 -7.217 0 O-C-N 119.279 -2.138 . . . . 0.0 111.685 179.019 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -113.13 115.36 28.16 Favored 'General case' 1 C--N 1.228 -4.691 0 O-C-N 117.451 -3.281 . . . . 0.0 111.412 178.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' GLU . . . . . 1.167 ' OE2' ' CG ' ' B' ' 50' ' ' GLU . 0.0 OUTLIER -129.74 117.34 20.14 Favored 'General case' 0 C--N 1.291 -1.96 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -179.76 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 56.74 21.71 6.21 Favored 'General case' 1 C--O 0.881 -18.306 0 CA-C-O 123.493 1.616 . . . . 0.0 112.278 179.187 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 94.97 49.67 2.23 Favored Glycine 2 C--N 1.09 -13.087 3 O-C-N 105.314 -10.866 . . . . 0.0 112.366 -179.409 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt -148.73 133.7 18.12 Favored 'General case' 1 C--O 0.978 -13.214 0 CA-C-N 119.306 1.553 . . . . 0.0 111.374 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 21.6 m-30 -98.15 126.57 43.66 Favored 'General case' 1 C--N 1.16 -7.648 2 O-C-N 112.343 -6.473 . . . . 0.0 109.68 179.227 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' PHE . . . . . 0.527 ' O ' ' HB3' ' B' ' 48' ' ' ASN . 31.3 p90 -139.95 149.09 42.86 Favored 'General case' 0 C--N 1.271 -2.81 0 O-C-N 120.59 -1.318 . . . . 0.0 110.843 179.113 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.428 HD11 HD21 ' B' ' 56' ' ' LEU . 0.0 OUTLIER -93.69 132.87 37.62 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.049 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 9.1 tp -100.5 146.88 8.43 Favored 'Isoleucine or valine' 0 C--O 1.189 -2.095 0 CA-C-O 119.492 -0.289 . . . . 0.0 111.52 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.43 161.35 27.81 Favored 'General case' 1 C--O 1.135 -4.953 0 C-N-CA 122.8 0.44 . . . . 0.0 111.264 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -70.32 -25.43 63.3 Favored 'General case' 1 C--N 1.24 -4.186 0 O-C-N 120.665 -1.272 . . . . 0.0 112.944 -179.681 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -117.03 10.73 14.05 Favored 'General case' 0 C--N 1.27 -2.891 0 O-C-N 120.888 -1.132 . . . . 0.0 109.695 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 44.2 t30 62.7 99.95 0.03 OUTLIER 'General case' 0 C--O 1.191 -1.978 0 CA-C-O 121.699 0.761 . . . . 0.0 112.027 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -147.25 -69.45 0.24 Allowed 'General case' 0 C--O 1.155 -3.88 0 O-C-N 121.586 -0.696 . . . . 0.0 111.584 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 1.256 ' OD2' ' CB ' ' B' ' 63' ' ' ASP . 10.4 t0 -120.0 160.47 22.71 Favored 'General case' 0 C--N 1.263 -3.174 0 O-C-N 119.783 -1.823 . . . . 0.0 110.849 -178.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 38.6 pttt -132.45 147.42 52.37 Favored 'General case' 0 C--O 1.195 -1.802 0 CA-C-O 121.319 0.58 . . . . 0.0 110.795 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.665 HD22 ' HG2' ' B' ' 16' ' ' ARG . 22.4 tp -127.58 121.79 31.51 Favored 'General case' 0 C--O 1.167 -3.255 0 O-C-N 121.738 -0.601 . . . . 0.0 110.543 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 66' ' ' TYR . . . . . 1.351 ' CZ ' ' CD2' ' B' ' 66' ' ' TYR . 8.1 m-85 -77.08 123.15 25.96 Favored 'General case' 0 C--N 1.275 -2.657 0 O-C-N 120.707 -1.246 . . . . 0.0 110.029 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 30.5 m -134.8 152.18 32.62 Favored 'Isoleucine or valine' 1 C--O 1.087 -7.454 0 CA-C-O 121.858 0.837 . . . . 0.0 111.724 -178.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -118.58 149.72 40.88 Favored 'General case' 1 C--N 1.212 -5.372 0 O-C-N 116.596 -3.815 . . . . 0.0 109.396 177.681 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 69' ' ' ILE . . . . . 0.496 HG21 HD13 ' B' ' 69' ' ' ILE . 0.1 OUTLIER -97.09 155.62 3.54 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.241 0 O-C-N 121.036 -1.04 . . . . 0.0 111.366 -178.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 70' ' ' ARG . . . . . 0.626 ' HG3' ' HD2' ' B' ' 71' ' ' PRO . 2.7 tpt85 -148.55 146.03 21.53 Favored Pre-proline 0 C--O 1.193 -1.884 0 C-N-CA 122.855 0.462 . . . . 0.0 109.817 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 71' ' ' PRO . . . . . 0.626 ' HD2' ' HG3' ' B' ' 70' ' ' ARG . 6.1 Cg_endo -73.17 10.05 1.26 Allowed 'Trans proline' 0 C--O 1.207 -1.054 0 C-N-CA 123.405 2.737 . . . . 0.0 113.874 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 18.4 ttp 64.9 -83.69 0.03 OUTLIER 'General case' 0 C--O 1.201 -1.495 0 C-N-CA 123.731 0.813 . . . . 0.0 111.408 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -151.21 46.4 0.82 Allowed 'General case' 1 C--O 1.15 -4.132 0 CA-C-O 122.313 1.054 . . . . 0.0 110.625 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -103.49 -76.6 0.58 Allowed 'General case' 1 C--O 0.853 -19.771 0 CA-C-O 124.336 2.017 . . . . 0.0 111.371 -179.296 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 14.5 m -144.12 177.77 8.35 Favored 'General case' 1 C--N 1.074 -11.378 3 O-C-N 103.074 -12.267 . . . . 0.0 111.111 -179.212 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.89 125.32 28.86 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 121.136 0.493 . . . . 0.0 111.442 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' TRP . . . . . 0.561 ' CE2' ' HB3' ' B' ' 86' ' ' LYS . 6.5 m95 -127.45 156.99 41.23 Favored 'General case' 1 C--O 1.139 -4.741 0 CA-C-O 121.58 0.705 . . . . 0.0 110.351 179.887 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.14 106.97 18.84 Favored 'General case' 1 C--N 1.243 -4.041 0 O-C-N 118.859 -2.401 . . . . 0.0 109.237 178.422 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 79' ' ' THR . . . . . . . . . . . . . 6.3 t -71.15 154.7 41.51 Favored 'General case' 0 C--O 1.159 -3.698 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -178.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' ASP . . . . . 0.55 ' HB3' ' O ' ' B' ' 83' ' ' VAL . 6.5 t70 178.13 144.24 0.11 Allowed 'General case' 1 C--O 1.087 -7.454 0 C-N-CA 126.352 1.861 . . . . 0.0 109.877 179.402 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 81' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -87.97 -7.49 57.03 Favored 'General case' 1 C--N 1.212 -5.388 0 O-C-N 116.66 -3.775 . . . . 0.0 111.568 -179.588 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -118.91 -19.85 4.28 Favored Glycine 1 C--N 1.253 -4.038 0 O-C-N 119.814 -1.804 . . . . 0.0 113.164 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.55 ' O ' ' HB3' ' B' ' 80' ' ' ASP . 2.4 m -149.12 123.63 1.79 Allowed 'Isoleucine or valine' 1 C--O 0.959 -14.19 0 CA-C-O 124.485 2.088 . . . . 0.0 110.679 -179.909 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 84' ' ' PHE . . . . . 0.621 ' HZ ' ' HD3' ' B' ' 71' ' ' PRO . 4.1 t80 -115.25 124.71 52.07 Favored 'General case' 1 C--N 1.114 -9.644 2 O-C-N 109.357 -8.34 . . . . 0.0 110.604 -179.319 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' B' B ' 85' ' ' TYR . . . . . 0.412 ' HA ' ' O ' ' B' ' 40' ' ' VAL . 37.8 p90 -155.88 159.79 39.62 Favored 'General case' 0 C--N 1.284 -2.264 0 O-C-N 121.074 -1.017 . . . . 0.0 110.614 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 86' ' ' LYS . . . . . 0.561 ' HB3' ' CE2' ' B' ' 77' ' ' TRP . 9.9 ptmm? -98.42 130.1 45.05 Favored 'General case' 0 C--O 1.178 -2.706 0 CA-C-O 121.188 0.518 . . . . 0.0 110.798 179.471 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.99 -33.5 68.16 Favored 'General case' 1 C--O 1.113 -6.125 0 O-C-N 121.262 -0.898 . . . . 0.0 111.514 179.772 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -88.59 117.07 27.29 Favored 'General case' 1 C--N 1.236 -4.33 0 O-C-N 118.546 -2.596 . . . . 0.0 110.492 179.304 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 89' ' ' VAL . . . . . 0.422 ' H ' HG22 ' B' ' 89' ' ' VAL . 27.7 m -78.89 137.66 21.48 Favored 'Isoleucine or valine' 1 C--O 1.096 -7.024 0 O-C-N 121.273 -0.892 . . . . 0.0 112.991 -179.547 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 156.03 175.49 27.08 Favored Glycine 3 C--O 1.092 -8.743 0 O-C-N 119.666 -1.896 . . . . 0.0 111.556 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 1.7 m -61.4 144.6 53.79 Favored 'General case' 1 C--N 1.226 -4.771 0 O-C-N 117.86 -3.141 . . . . 0.0 111.662 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 92' ' ' TRP . . . . . 0.595 ' HH2' HG23 ' B' ' 96' ' ' ILE . 40.4 t90 -157.61 166.04 33.93 Favored 'General case' 1 C--O 0.902 -17.203 0 O-C-N 120.146 -1.596 . . . . 0.0 110.475 -178.81 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . 166.34 76.14 0.03 OUTLIER Glycine 2 C--N 1.146 -10.022 3 O-C-N 109.408 -8.307 . . . . 0.0 113.022 179.412 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -141.3 151.5 22.64 Favored Glycine 2 C--O 0.976 -16.016 0 O-C-N 118.103 -2.998 . . . . 0.0 113.36 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 95' ' ' THR . . . . . 0.444 ' HA ' ' O ' ' B' ' 28' ' ' VAL . 0.6 OUTLIER -58.21 126.36 27.18 Favored 'General case' 1 C--N 1.124 -9.224 3 O-C-N 110.643 -7.386 . . . . 0.0 113.038 -179.455 . . . . . . . . 5 4 . 1 . 001 nuclear build full ' B' B ' 96' ' ' ILE . . . . . 0.595 HG23 ' HH2' ' B' ' 92' ' ' TRP . 12.5 pt -102.98 117.23 48.06 Favored 'Isoleucine or valine' 0 C--O 1.173 -2.929 0 CA-C-O 121.12 0.486 . . . . 0.0 110.444 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -71.59 174.91 41.48 Favored Glycine 1 C--O 1.106 -7.869 0 O-C-N 120.636 -1.29 . . . . 0.0 113.575 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 98' ' ' ILE . . . . . 0.407 ' O ' ' HA ' ' B' ' 24' ' ' PRO . 41.7 mt -124.77 124.56 68.2 Favored 'Isoleucine or valine' 1 C--N 1.214 -5.297 0 O-C-N 117.48 -3.365 . . . . 0.0 108.743 -179.72 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 99' ' ' TYR . . . . . 0.668 ' HD2' ' HB1' ' B' ' 22' ' ' ALA . 2.3 m-85 -103.13 -166.53 1.28 Allowed 'General case' 1 C--O 1.044 -9.715 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -179.3 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 9.5 p -130.46 145.84 34.96 Favored 'Isoleucine or valine' 1 C--N 1.208 -5.553 1 O-C-N 114.92 -4.863 . . . . 0.0 109.954 179.85 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -101.89 84.92 2.61 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-O 121.181 0.515 . . . . 0.0 111.633 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 67.02 32.03 79.63 Favored Glycine 0 C--O 1.197 -2.162 0 CA-C-N 115.852 -0.613 . . . . 0.0 114.426 178.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 50.33 -168.67 0.03 OUTLIER 'General case' 0 C--O 1.196 -1.75 0 C-N-CA 124.56 1.144 . . . . 0.0 112.344 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -164.47 15.26 0.05 Allowed 'General case' 1 C--O 1.11 -6.281 0 CA-C-O 122.262 1.03 . . . . 0.0 111.829 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 105' ' ' THR . . . . . 0.744 ' O ' ' HB3' ' B' ' 106' ' ' ASN . 14.3 m 78.17 -45.48 0.42 Allowed 'General case' 2 C--O 0.927 -15.919 0 O-C-N 117.662 -3.148 . . . . 0.0 112.637 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 106' ' ' ASN . . . . . 0.744 ' HB3' ' O ' ' B' ' 105' ' ' THR . 0.0 OUTLIER 79.84 92.88 0.05 Allowed 'General case' 2 C--N 1.057 -12.118 3 O-C-N 107.816 -9.302 . . . . 0.0 117.215 178.38 . . . . . . . . 5 4 . 1 . 001 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.34 134.46 40.46 Favored Pre-proline 1 C--N 1.232 -4.516 0 O-C-N 120.333 -1.48 . . . . 0.0 108.658 176.932 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -38.4 94.68 0.02 OUTLIER 'Trans proline' 0 C--O 1.186 -2.086 1 C-N-CA 126.069 4.513 . . . . 0.0 116.384 -177.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -104.65 179.91 0.1 Allowed 'Trans proline' 1 C--O 1.048 -9.011 0 C-N-CA 124.908 3.739 . . . . 0.0 114.177 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . -124.91 -53.66 0.18 Allowed Glycine 2 C--O 1.104 -8.027 1 O-C-N 114.802 -4.936 . . . . 0.0 112.918 178.665 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -146.75 149.37 33.25 Favored 'General case' 2 C--O 1.03 -10.496 0 O-C-N 118.021 -3.046 . . . . 0.0 113.258 -179.643 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 112' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -135.2 139.17 44.32 Favored 'General case' 2 C--N 1.202 -5.827 1 O-C-N 115.802 -4.311 . . . . 0.0 111.569 179.379 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 8.7 m -130.96 138.9 49.93 Favored 'General case' 1 C--N 1.241 -4.123 0 O-C-N 118.164 -2.835 . . . . 0.0 111.485 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 114' ' ' LEU . . . . . 0.467 ' O ' ' HG ' ' B' ' 114' ' ' LEU . 0.6 OUTLIER -139.1 131.63 28.73 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-O 121.012 0.434 . . . . 0.0 110.381 179.084 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 115' ' ' THR . . . . . 0.497 HG22 HG22 ' B' ' 135' ' ' THR . 0.2 OUTLIER -97.97 123.13 41.83 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-O 120.84 0.353 . . . . 0.0 110.996 -179.865 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.423 ' HA ' ' HA ' ' B' ' 44' ' ' ALA . 73.2 mt -112.35 119.14 37.26 Favored 'General case' 0 C--N 1.308 -1.218 0 O-C-N 122.092 -0.38 . . . . 0.0 111.458 -179.204 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -83.44 155.68 23.31 Favored 'General case' 0 C--O 1.182 -2.481 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 178.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -123.67 159.77 18.27 Favored Glycine 1 C--O 1.12 -6.979 0 O-C-N 120.442 -1.411 . . . . 0.0 112.901 -178.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 119' ' ' GLY . . . . . 0.453 ' HA3' ' O ' ' B' ' 130' ' ' THR . . . 158.48 -145.93 12.42 Favored Glycine 1 C--N 1.24 -4.751 0 O-C-N 118.458 -2.789 . . . . 0.0 111.515 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -129.32 169.7 14.54 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 117.522 0.661 . . . . 0.0 110.675 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 121' ' ' TRP . . . . . 0.544 ' CZ3' HG11 ' B' ' 83' ' ' VAL . 34.5 t-105 -130.86 145.46 52.0 Favored 'General case' 1 C--O 1.137 -4.862 0 CA-C-O 121.289 0.566 . . . . 0.0 111.452 -178.761 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -129.98 142.48 50.63 Favored 'General case' 0 C--N 1.25 -3.756 0 O-C-N 119.426 -2.046 . . . . 0.0 110.677 178.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 123' ' ' LYS . . . . . 0.47 ' HB3' ' H ' ' B' ' 124' ' ' ASP . 0.5 OUTLIER 65.06 -145.58 0.23 Allowed 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 122.866 0.466 . . . . 0.0 110.626 -179.719 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 124' ' ' ASP . . . . . 0.47 ' H ' ' HB3' ' B' ' 123' ' ' LYS . 4.2 p-10 -157.07 143.53 18.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 122.266 -0.271 . . . . 0.0 111.035 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 4.1 t30 56.19 8.59 0.41 Allowed 'General case' 1 C--O 1.051 -9.368 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 178.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 22.8 pttt -105.09 9.58 34.24 Favored 'General case' 1 C--N 1.219 -5.103 1 O-C-N 115.136 -4.728 . . . . 0.0 111.614 -179.557 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 56.74 42.55 26.61 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.422 0.63 . . . . 0.0 110.883 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . -84.37 68.71 3.47 Favored Glycine 0 C--O 1.188 -2.772 0 C-N-CA 121.104 -0.57 . . . . 0.0 112.837 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 129' ' ' PHE . . . . . 0.461 ' HB2' ' HE3' ' B' ' 43' ' ' LYS . 27.2 p90 -104.36 165.54 10.99 Favored 'General case' 1 C--O 1.071 -8.31 0 O-C-N 121.7 -0.883 . . . . 0.0 111.308 179.667 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 130' ' ' THR . . . . . 0.453 ' O ' ' HA3' ' B' ' 119' ' ' GLY . 13.7 m -154.95 122.79 2.88 Favored Pre-proline 1 C--N 1.232 -4.514 0 O-C-N 117.955 -2.965 . . . . 0.0 110.421 -179.749 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 131' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' B' ' 130' ' ' THR . 16.6 Cg_exo -64.82 99.48 0.32 Allowed 'Trans proline' 1 C--O 1.119 -5.459 0 C-N-CA 123.348 2.699 . . . . 0.0 112.592 179.344 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 15.3 m -133.22 68.22 1.51 Allowed 'General case' 1 C--N 1.233 -4.478 0 O-C-N 118.411 -2.681 . . . . 0.0 110.32 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 133' ' ' GLY . . . . . . . . . . . . . . . 167.56 -125.86 1.36 Allowed Glycine 2 C--O 1.159 -4.573 0 O-C-N 119.814 -1.804 . . . . 0.0 112.976 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -143.73 152.18 40.96 Favored 'General case' 0 C--N 1.263 -3.171 0 O-C-N 120.266 -1.726 . . . . 0.0 111.065 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 135' ' ' THR . . . . . 0.497 HG22 HG22 ' B' ' 115' ' ' THR . 2.6 m -91.33 120.67 32.4 Favored 'General case' 0 C--N 1.276 -2.592 0 O-C-N 121.173 -0.955 . . . . 0.0 110.087 178.402 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -97.91 158.57 20.75 Favored Glycine 1 C--O 1.125 -6.708 0 C-N-CA 121.107 -0.568 . . . . 0.0 113.331 -179.078 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 137' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -122.33 105.07 9.87 Favored 'General case' 2 C--O 1.138 -4.785 0 O-C-N 118.683 -2.657 . . . . 0.0 110.92 -179.894 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 138' ' ' THR . . . . . . . . . . . . . 3.6 m -92.82 132.19 37.21 Favored 'General case' 1 C--N 1.239 -4.206 0 O-C-N 118.59 -2.569 . . . . 0.0 110.588 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 139' ' ' LYS . . . . . . . . . . . . . 6.5 mtmt -119.05 130.28 55.55 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-O 121.515 0.674 . . . . 0.0 110.965 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 13.1 tp -112.73 129.3 56.46 Favored 'General case' 1 C--O 1.094 -7.09 0 CA-C-O 121.408 0.623 . . . . 0.0 110.329 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 141' ' ' THR . . . . . . . . . . . . . 1.4 m -99.32 133.42 43.65 Favored 'General case' 2 C--O 1.119 -5.764 0 O-C-N 116.857 -3.652 . . . . 0.0 109.957 179.372 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 142' ' ' VAL . . . . . 0.44 ' CG1' ' HA ' ' B' ' 15' ' ' THR . 0.0 OUTLIER -126.84 110.11 22.4 Favored 'Isoleucine or valine' 1 C--N 1.24 -4.188 0 O-C-N 119.793 -1.817 . . . . 0.0 112.154 -178.271 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.169 -3.18 0 CA-C-O 118.218 -0.896 . . . . 0.0 112.502 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.428 -1.527 0 CA-C-O 120.652 0.263 . . . . 0.0 110.563 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.682 ' HB1' ' OG1' ' A' ' 133' ' ' THR . . . 68.95 -73.12 0.09 Allowed 'General case' 0 C--O 1.196 -1.735 0 C-N-CA 123.299 0.639 . . . . 0.0 112.248 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 52.13 74.83 0.25 Allowed 'General case' 0 C--O 1.188 -2.159 0 C-N-CA 123.621 0.768 . . . . 0.0 112.794 178.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.677 ' HG ' ' H ' ' A' ' 115' ' ' GLY . 0.7 OUTLIER -112.21 129.63 56.2 Favored 'General case' 0 C--N 1.281 -2.373 0 O-C-N 120.896 -1.127 . . . . 0.0 110.525 179.786 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.44 ' N ' HD13 ' A' ' 4' ' ' LEU . 10.3 t60 -135.05 133.82 39.73 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-O 121.072 0.463 . . . . 0.0 110.331 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.56 HD13 ' OG1' ' A' ' 137' ' ' THR . 37.3 mt -108.24 166.47 10.73 Favored 'General case' 0 C--O 1.191 -2.02 0 CA-C-O 120.93 0.395 . . . . 0.0 111.247 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -157.41 142.68 17.1 Favored 'General case' 0 C--O 1.159 -3.687 0 C-N-CA 123.596 0.758 . . . . 0.0 109.793 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.6 t -109.75 150.44 28.33 Favored 'General case' 0 C--N 1.255 -3.501 0 O-C-N 119.673 -1.892 . . . . 0.0 110.45 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.487 HH11 ' HD3' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -87.02 4.48 41.74 Favored 'General case' 0 C--O 1.182 -2.452 0 CA-C-O 120.593 0.235 . . . . 0.0 111.445 179.899 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 174.61 -65.54 0.11 Allowed Glycine 1 C--O 1.076 -9.759 0 CA-C-O 124.278 2.043 . . . . 0.0 112.985 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.603 ' O ' ' HB2' ' A' ' 12' ' ' SER . . . 134.33 -14.22 4.55 Favored Glycine 3 C--O 0.909 -20.18 2 CA-C-O 110.763 -5.465 . . . . 0.0 117.496 -179.949 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.603 ' HB2' ' O ' ' A' ' 11' ' ' GLY 0.401 0.7 OUTLIER -178.39 -143.61 0.02 OUTLIER 'General case' 4 C--O 0.948 -14.781 3 CA-C-N 128.903 6.352 . . . . 0.0 123.255 179.941 . . . . . . . . 6 4 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 141.21 160.21 8.21 Favored Glycine 4 C--O 0.669 -35.2 0 O-C-N 116.455 -3.903 . . . . 0.0 117.813 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.0 t -116.59 -30.21 5.9 Favored 'General case' 2 C--O 0.9 -17.335 3 O-C-N 92.002 -18.352 . . . . 0.0 112.099 179.042 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -112.9 78.69 1.15 Allowed 'General case' 2 C--N 1.114 -9.666 3 O-C-N 108.428 -8.92 . . . . 0.0 111.724 178.814 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -95.15 116.51 28.82 Favored 'General case' 1 C--N 1.241 -4.13 0 O-C-N 120.36 -1.462 . . . . 0.0 112.37 -179.018 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.432 ' HD2' HH11 ' A' ' 17' ' ' ARG . 8.1 mtp85 -91.03 176.02 6.74 Favored 'General case' 0 C--N 1.271 -2.821 0 O-C-N 121.2 -0.937 . . . . 0.0 110.405 179.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.444 ' HA ' ' HA ' ' A' ' 99' ' ' ASP . 8.6 p-10 -73.71 139.92 45.64 Favored 'General case' 1 C--O 1.12 -5.73 0 O-C-N 121.932 -0.48 . . . . 0.0 109.946 179.39 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.35 12.13 81.04 Favored Glycine 1 C--N 1.234 -5.088 0 O-C-N 119.485 -2.009 . . . . 0.0 115.35 -178.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.99 133.24 35.45 Favored 'General case' 1 C--O 1.109 -6.319 0 CA-C-N 117.056 0.428 . . . . 0.0 110.692 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 97' ' ' MET . 28.5 mttm -78.19 160.11 28.16 Favored 'General case' 1 C--O 1.121 -5.688 0 O-C-N 119.068 -2.27 . . . . 0.0 112.509 -178.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -131.72 -53.65 0.86 Allowed 'Isoleucine or valine' 1 C--N 1.236 -4.363 0 O-C-N 119.633 -1.917 . . . . 0.0 111.23 179.743 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -126.7 153.85 44.89 Favored 'General case' 2 C--O 0.971 -13.588 0 CA-C-O 116.1 -1.905 . . . . 0.0 112.985 179.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.0 m -148.08 87.73 1.62 Allowed 'General case' 3 C--O 1.016 -11.23 1 CA-C-N 127.419 4.645 . . . . 0.0 112.765 -179.189 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.463 ' HA3' HD23 ' A' ' 6' ' ' LEU . . . -101.04 -176.02 29.15 Favored Glycine 2 C--N 1.19 -7.544 1 O-C-N 114.502 -5.124 . . . . 0.0 115.132 178.554 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.412 ' HD3' HH11 ' A' ' 26' ' ' ARG . 0.0 OUTLIER -131.33 144.47 51.27 Favored 'General case' 0 N--CA 1.421 -1.908 0 CA-C-O 120.968 0.413 . . . . 0.0 110.955 -179.547 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.502 ' O ' ' HA ' ' A' ' 91' ' ' GLN . 16.3 tt -120.2 159.34 21.63 Favored 'Isoleucine or valine' 1 C--O 1.142 -4.554 0 C-N-CA 123.13 0.572 . . . . 0.0 109.716 -179.589 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.489 HG21 HD13 ' A' ' 28' ' ' ILE . 1.1 pt -130.71 169.41 21.51 Favored 'Isoleucine or valine' 1 C--O 1.097 -6.961 0 O-C-N 118.811 -2.431 . . . . 0.0 110.912 -178.192 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.413 ' HB2' ' CE1' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -148.18 172.35 14.46 Favored 'General case' 2 C--O 1.129 -5.26 0 O-C-N 118.098 -2.876 . . . . 0.0 109.382 179.108 -144.489 108.488 -74.748 104.163 2.01 104.447 -111.451 -177.971 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -106.66 -86.78 0.48 Allowed 'General case' 0 C--N 1.25 -3.759 0 O-C-N 118.418 -2.676 . . . . 0.0 112.563 -178.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.421 ' HB3' ' H ' ' A' ' 32' ' ' ALA . 30.4 mt-10 -96.62 -165.08 1.22 Allowed 'General case' 0 C--N 1.291 -1.947 0 O-C-N 121.61 -0.681 . . . . 0.0 111.401 -179.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.421 ' H ' ' HB3' ' A' ' 31' ' ' GLU . . . -56.19 124.42 17.85 Favored 'General case' 1 C--O 1.132 -5.108 0 N-CA-C 112.268 0.469 . . . . 0.0 112.268 -179.58 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -147.44 166.78 26.19 Favored 'General case' 0 C--N 1.25 -3.757 0 O-C-N 119.441 -2.037 . . . . 0.0 109.969 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.92 9.84 7.57 Favored 'General case' 0 C--O 1.202 -1.435 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.565 179.398 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.586 ' C ' ' HB3' ' A' ' 84' ' ' SER . . . -155.24 117.21 0.77 Allowed Glycine 0 N--CA 1.419 -2.48 0 N-CA-C 115.468 0.947 . . . . 0.0 115.468 -179.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.756 ' CE2' ' HA2' ' A' ' 87' ' ' GLY . 11.4 m-85 -83.52 84.69 7.44 Favored 'General case' 0 C--O 1.172 -3.013 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 177.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.526 ' H ' ' HA ' ' A' ' 117' ' ' CYS . 3.9 m80 -52.31 109.14 0.35 Allowed 'General case' 0 C--N 1.282 -2.348 0 O-C-N 120.992 -1.068 . . . . 0.0 112.514 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.506 HG12 ' HZ3' ' A' ' 72' ' ' TRP . 0.7 OUTLIER -133.43 146.68 31.72 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.729 0 C-N-CA 122.653 0.381 . . . . 0.0 110.009 179.047 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.664 ' O ' ' HA ' ' A' ' 113' ' ' VAL . 4.9 p90 -137.01 170.02 16.8 Favored 'General case' 0 C--O 1.204 -1.328 0 O-C-N 121.905 -0.497 . . . . 0.0 111.012 -179.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.617 ' SD ' ' HB ' ' A' ' 113' ' ' VAL . 14.9 mmt -119.13 -41.87 2.72 Favored 'General case' 0 C--N 1.307 -1.269 0 O-C-N 122.26 -0.275 . . . . 0.0 111.087 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 64.51 81.45 0.21 Allowed 'General case' 0 C--O 1.209 -1.076 0 CA-C-O 121.359 0.6 . . . . 0.0 111.603 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.44 ' H ' ' NE2' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -148.78 -85.84 0.09 Allowed 'General case' 0 C--N 1.303 -1.448 0 C-N-CA 122.662 0.385 . . . . 0.0 111.073 -179.682 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.25 78.06 0.73 Allowed 'General case' 0 C--O 1.198 -1.641 0 CA-C-O 121.541 0.686 . . . . 0.0 110.261 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.498 ' HG2' ' HB2' ' A' ' 81' ' ' LYS . 8.2 mp0 -79.92 154.63 28.18 Favored 'General case' 0 C--N 1.289 -2.047 0 CA-C-O 121.466 0.65 . . . . 0.0 111.246 -178.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.5 t -95.21 86.8 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.772 0 CA-C-O 121.438 0.637 . . . . 0.0 110.438 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 59.2 -122.68 1.19 Allowed 'General case' 1 C--O 1.107 -6.417 0 C-N-CA 123.191 0.596 . . . . 0.0 111.671 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -84.71 20.5 14.62 Favored Glycine 2 C--O 1.042 -11.887 0 O-C-N 118.101 -2.874 . . . . 0.0 114.536 -179.408 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.515 ' HA ' ' NE ' ' A' ' 48' ' ' ARG . 1.2 mmp_? -70.54 110.14 5.24 Favored 'General case' 2 C--N 1.18 -6.765 1 O-C-N 114.891 -4.888 . . . . 0.0 109.705 179.326 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.768 ' HB1' HG13 ' A' ' 83' ' ' VAL . . . -103.79 -32.76 9.17 Favored 'General case' 2 C--O 0.825 -21.275 1 CA-C-O 134.616 6.912 . . . . 0.0 117.461 -179.131 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.959 ' O ' ' HB2' ' A' ' 51' ' ' ARG . 1.6 pm0 -110.97 44.82 1.23 Allowed 'General case' 2 C--N 0.876 -20.001 3 O-C-N 94.305 -17.747 . . . . 0.0 114.466 -179.57 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.959 ' HB2' ' O ' ' A' ' 50' ' ' GLU . 0.2 OUTLIER 152.86 129.67 0.0 OUTLIER 'General case' 2 C--N 1.078 -11.204 1 O-C-N 108.903 -8.623 . . . . 0.0 109.802 179.542 . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.441 ' HE1' ' HG3' ' A' ' 40' ' ' MET . 0.1 OUTLIER -160.82 138.39 9.34 Favored 'General case' 2 C--O 0.965 -13.896 1 O-C-N 115.229 -4.669 . . . . 0.0 113.944 -178.914 . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.575 ' HA ' ' HA ' ' A' ' 64' ' ' ARG . 3.0 p -78.54 105.36 7.61 Favored 'Isoleucine or valine' 1 C--N 1.124 -9.215 3 O-C-N 111.208 -7.183 . . . . 0.0 111.176 178.983 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.647 HG22 ' O ' ' A' ' 63' ' ' LEU . 2.3 m -79.94 170.45 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.244 0 CA-C-O 121.108 0.48 . . . . 0.0 111.618 -178.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -122.08 164.79 17.11 Favored 'General case' 1 C--O 1.128 -5.325 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.61 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.8 p -80.17 172.81 13.28 Favored 'General case' 0 C--N 1.252 -3.644 0 O-C-N 119.049 -2.282 . . . . 0.0 110.49 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.5 ttpp -64.18 -40.81 96.9 Favored 'General case' 1 C--O 1.022 -10.883 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.437 ' OD2' ' HD3' ' A' ' 60' ' ' ARG . 37.9 t70 -88.88 0.74 56.3 Favored 'General case' 2 C--O 0.598 -33.23 2 CA-C-O 130.956 5.169 . . . . 0.0 110.283 178.464 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 58.18 79.26 0.1 Allowed Glycine 2 C--N 0.962 -20.235 3 O-C-N 82.284 -25.26 . . . . 0.0 112.84 179.428 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.437 ' HD3' ' OD2' ' A' ' 58' ' ' ASP . 11.2 ptt-85 -161.68 -13.18 0.04 OUTLIER 'General case' 1 C--N 1.22 -5.031 0 O-C-N 117.842 -3.152 . . . . 0.0 110.969 179.507 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.638 ' CE1' ' HB3' ' A' ' 105' ' ' ALA . 38.1 m-70 -132.49 128.38 37.25 Favored 'General case' 0 C--O 1.192 -1.933 0 O-C-N 122.277 -0.264 . . . . 0.0 110.574 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -100.95 142.74 31.99 Favored 'General case' 0 C--N 1.29 -2.019 0 O-C-N 121.801 -0.562 . . . . 0.0 110.827 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.647 ' O ' HG22 ' A' ' 54' ' ' VAL . 21.0 tp -135.26 105.49 6.31 Favored 'General case' 1 C--O 1.138 -4.773 0 CA-C-O 121.761 0.791 . . . . 0.0 111.547 -179.738 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.575 ' HA ' ' HA ' ' A' ' 53' ' ' VAL . 28.9 mtp85 -70.84 135.61 48.19 Favored 'General case' 2 C--O 1.104 -6.586 0 O-C-N 119.369 -2.082 . . . . 0.0 111.127 179.79 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.689 ' HA ' ' HA ' ' A' ' 98' ' ' ALA . 18.3 m -131.51 129.38 61.86 Favored 'Isoleucine or valine' 1 C--O 1.097 -6.936 0 O-C-N 118.181 -2.824 . . . . 0.0 113.638 -179.036 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.406 ' HD3' HH11 ' A' ' 66' ' ' ARG . 8.0 mmm-85 -93.58 69.75 4.16 Favored 'General case' 2 C--O 1.124 -5.53 0 O-C-N 118.392 -2.692 . . . . 0.0 110.826 178.049 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 1.186 ' CG2' ' CA ' ' A' ' 67' ' ' THR . 8.9 t -87.01 -30.37 21.27 Favored 'General case' 2 C--O 0.967 -13.811 0 O-C-N 120.052 -1.655 . . . . 0.0 113.919 -179.845 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -48.98 -19.79 1.61 Allowed Glycine 4 C--O 0.844 -24.267 3 N-CA-C 132.321 7.688 . . . . 0.0 132.321 -179.956 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.661 ' O ' ' HB3' ' A' ' 70' ' ' ASP . . . 99.44 -3.82 58.05 Favored Glycine 4 N--CA 1.126 -21.987 2 N-CA-C 164.665 20.626 . . . . 0.0 164.665 -179.782 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.661 ' HB3' ' O ' ' A' ' 69' ' ' GLY 0.283 22.9 t70 67.55 -57.38 0.45 Allowed 'General case' 4 C--O 0.739 -25.808 0 CA-C-O 125.484 2.564 . . . . 0.0 107.966 -179.756 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -125.47 38.95 2.16 Favored Glycine 4 C--N 0.966 -20.009 3 O-C-N 98.092 -15.38 . . . . 0.0 122.515 179.519 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.639 ' CD1' ' HA3' ' A' ' 69' ' ' GLY . 13.5 m95 -99.44 174.52 6.23 Favored 'General case' 2 C--O 1.08 -7.862 0 O-C-N 120.263 -1.727 . . . . 0.0 109.866 179.405 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.408 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 4.9 m -133.89 127.07 19.13 Favored Pre-proline 1 C--N 1.218 -5.113 0 O-C-N 116.849 -3.657 . . . . 0.0 111.197 -179.585 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.574 ' HA ' HG12 ' A' ' 83' ' ' VAL . 2.0 Cg_endo -71.25 91.72 0.66 Allowed 'Trans proline' 0 C--O 1.161 -3.374 0 C-N-CA 122.798 2.332 . . . . 0.0 113.21 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.429 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -127.28 63.07 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.27 -2.889 0 O-C-N 120.321 -1.487 . . . . 0.0 111.651 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 75' ' ' VAL . 38.3 mtmt 66.99 171.75 0.26 Allowed 'General case' 0 C--O 1.177 -2.754 0 CA-C-O 122.837 1.303 . . . . 0.0 112.261 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -162.32 168.14 37.18 Favored Glycine 2 C--O 0.924 -19.257 0 CA-C-O 126.817 3.454 . . . . 0.0 112.699 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -112.41 135.6 52.91 Favored 'General case' 2 C--N 1.038 -12.962 3 O-C-N 104.291 -11.123 . . . . 0.0 109.319 179.867 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.7 -65.46 4.11 Favored Glycine 4 C--O 0.986 -15.356 0 O-C-N 117.836 -3.04 . . . . 0.0 119.667 -179.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -151.29 71.6 0.29 Allowed Glycine 3 N--CA 1.324 -8.778 1 CA-C-N 124.876 4.338 . . . . 0.0 112.61 179.578 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.532 ' O ' ' HB3' ' A' ' 39' ' ' TRP . 45.9 mmtt 58.69 -159.84 0.28 Allowed 'General case' 1 C--O 1.134 -4.979 0 C-N-CA 126.781 2.032 . . . . 0.0 110.725 179.895 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.467 ' HA3' ' O ' ' A' ' 38' ' ' VAL . . . 137.12 177.31 14.94 Favored Glycine 2 C--O 0.986 -15.404 0 CA-C-O 115.845 -2.641 . . . . 0.0 114.302 -179.416 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.768 HG13 ' HB1' ' A' ' 49' ' ' ALA . 0.1 OUTLIER -143.53 159.51 16.87 Favored 'Isoleucine or valine' 3 C--O 0.962 -14.066 1 CA-C-N 126.78 5.29 . . . . 0.0 118.703 179.47 . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.586 ' HB3' ' C ' ' A' ' 35' ' ' GLY . 8.8 m -122.64 121.9 37.54 Favored 'General case' 1 C--N 1.191 -6.307 2 O-C-N 114.578 -5.076 . . . . 0.0 115.351 -178.884 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.533 ' HB2' ' HD2' ' A' ' 86' ' ' PRO . 0.0 OUTLIER -95.93 164.26 19.1 Favored Pre-proline 0 C--O 1.182 -2.493 0 C-N-CA 123.543 0.737 . . . . 0.0 109.476 178.237 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.533 ' HD2' ' HB2' ' A' ' 85' ' ' ARG . 31.9 Cg_exo -40.16 105.34 0.05 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.109 0 C-N-CA 123.947 3.098 . . . . 0.0 113.229 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.756 ' HA2' ' CE2' ' A' ' 36' ' ' PHE . . . -90.82 49.89 3.12 Favored Glycine 0 N--CA 1.423 -2.198 0 N-CA-C 115.295 0.878 . . . . 0.0 115.295 -178.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -90.9 -17.58 26.2 Favored 'General case' 1 C--O 1.085 -7.563 0 CA-C-O 122.936 1.351 . . . . 0.0 109.772 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -89.3 168.14 12.49 Favored 'General case' 1 C--N 1.195 -6.144 0 O-C-N 117.028 -3.545 . . . . 0.0 111.09 179.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.41 ' O ' ' HA ' ' A' ' 28' ' ' ILE . 45.6 mt-10 -94.34 -25.54 16.94 Favored 'General case' 1 C--O 1.149 -4.226 0 O-C-N 122.213 -0.304 . . . . 0.0 111.194 179.886 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.502 ' HA ' ' O ' ' A' ' 27' ' ' ILE . 9.5 tt0 -159.53 116.33 2.61 Favored 'General case' 0 C--N 1.274 -2.717 0 O-C-N 120.344 -1.473 . . . . 0.0 111.192 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 31.2 m -124.27 166.38 19.69 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.569 0 CA-C-O 121.315 0.579 . . . . 0.0 110.384 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -111.4 147.17 35.79 Favored 'General case' 1 C--O 0.941 -15.15 0 CA-C-O 122.298 1.047 . . . . 0.0 111.646 -179.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.667 ' O ' ' CD1' ' A' ' 94' ' ' PHE . 50.7 p90 -131.6 99.24 4.73 Favored 'General case' 2 C--O 0.837 -20.63 3 O-C-N 110.533 -7.604 . . . . 0.0 114.822 179.198 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -85.27 139.81 31.33 Favored 'General case' 1 C--N 1.044 -12.703 3 O-C-N 101.712 -13.117 . . . . 0.0 112.824 -179.913 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 1.236 ' CG2' ' CA ' ' A' ' 96' ' ' VAL . 7.0 m -102.57 100.03 9.59 Favored 'Isoleucine or valine' 1 C--O 1.124 -5.508 0 CA-C-O 122.091 0.948 . . . . 0.0 111.871 -179.547 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.404 ' HA ' ' HA ' ' A' ' 21' ' ' LYS . 60.9 mtm -77.28 119.28 20.7 Favored 'General case' 2 C--O 1.059 -8.954 0 O-C-N 118.874 -2.391 . . . . 0.0 110.166 179.099 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.689 ' HA ' ' HA ' ' A' ' 65' ' ' VAL . . . -86.01 128.29 34.82 Favored 'General case' 1 C--N 1.2 -5.933 1 O-C-N 115.541 -4.474 . . . . 0.0 111.696 -179.39 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.474 ' OD1' ' NH1' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -99.24 50.89 0.94 Allowed 'General case' 0 C--O 1.181 -2.529 0 CA-C-O 122.943 1.354 . . . . 0.0 110.175 179.553 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -65.08 -63.68 4.01 Favored Glycine 0 C--N 1.261 -3.601 0 O-C-N 120.998 -1.064 . . . . 0.0 114.397 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.971 ' O ' ' HB2' ' A' ' 102' ' ' GLN . 16.5 t-20 63.85 83.6 0.16 Allowed 'General case' 1 C--O 0.952 -14.599 1 CA-C-O 130.047 4.737 . . . . 0.0 111.251 179.811 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.971 ' HB2' ' O ' ' A' ' 101' ' ' ASN . 5.2 tt0 137.91 -156.17 0.0 OUTLIER 'General case' 2 C--O 0.934 -15.538 1 O-C-N 105.456 -10.777 . . . . 0.0 111.24 179.227 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.06 138.19 47.77 Favored 'General case' 2 C--N 1.07 -11.567 3 O-C-N 106.134 -10.354 . . . . 0.0 110.129 -179.708 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 20.2 pt -104.86 139.06 26.97 Favored 'Isoleucine or valine' 1 C--N 1.236 -4.343 0 O-C-N 118.465 -2.647 . . . . 0.0 110.583 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.638 ' HB3' ' CE1' ' A' ' 61' ' ' HIS . . . -71.85 146.02 90.03 Favored Pre-proline 0 C--N 1.302 -1.495 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.128 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 105' ' ' ALA . 47.0 Cg_exo -52.24 126.83 21.62 Favored 'Trans proline' 1 C--O 1.141 -4.365 0 C-N-CA 123.635 2.89 . . . . 0.0 113.976 -179.551 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 180.0 -160.85 26.15 Favored Glycine 2 C--O 1.165 -4.207 0 O-C-N 119.661 -1.899 . . . . 0.0 111.229 179.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -130.95 126.79 36.98 Favored 'General case' 0 C--N 1.278 -2.539 0 CA-C-N 118.885 1.342 . . . . 0.0 110.978 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -111.58 105.02 13.45 Favored 'General case' 0 C--O 1.174 -2.915 0 CA-C-O 121.399 0.618 . . . . 0.0 109.426 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -103.48 127.63 50.83 Favored 'General case' 0 C--N 1.274 -2.699 0 O-C-N 120.481 -1.387 . . . . 0.0 111.526 -178.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.464 ' HE1' HG21 ' A' ' 54' ' ' VAL . 6.7 m-85 -117.12 148.89 41.16 Favored 'General case' 0 C--O 1.204 -1.301 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.486 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.54 ' HA ' ' O ' ' A' ' 135' ' ' GLY . 1.4 m -117.54 48.93 1.27 Allowed 'General case' 0 C--O 1.17 -3.086 0 CA-C-O 121.635 0.731 . . . . 0.0 110.449 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.664 ' HA ' ' O ' ' A' ' 39' ' ' TRP . 0.2 OUTLIER -72.97 131.6 34.63 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.634 0 O-C-N 121.049 -1.032 . . . . 0.0 112.518 -178.916 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.472 ' HA2' HD11 ' A' ' 4' ' ' LEU . . . -169.02 163.19 36.96 Favored Glycine 2 C--O 0.876 -22.223 0 CA-C-O 113.832 -3.76 . . . . 0.0 114.597 179.604 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.677 ' H ' ' HG ' ' A' ' 4' ' ' LEU . . . -159.2 163.29 33.28 Favored Glycine 4 C--O 0.941 -18.191 3 CA-C-N 131.452 7.626 . . . . 0.0 120.9 179.779 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -125.85 -27.03 3.38 Favored 'General case' 1 C--N 1.181 -6.754 3 CA-C-N 128.204 6.002 . . . . 0.0 114.14 -179.473 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.526 ' HA ' ' H ' ' A' ' 37' ' ' HIS . 50.4 t 72.16 -52.86 0.7 Allowed 'General case' 0 C--O 1.2 -1.517 0 C-N-CA 123.398 0.679 . . . . 0.0 111.551 179.987 -177.971 -111.451 -74.748 104.447 2.01 104.163 108.488 -144.489 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 14.8 m -51.2 149.06 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 N-CA-C 113.21 0.819 . . . . 0.0 113.21 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.416 ' CG2' ' HD2' ' A' ' 120' ' ' PRO . 11.6 p -94.31 138.45 22.47 Favored Pre-proline 0 C--N 1.293 -1.862 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.449 -179.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.438 ' HB2' ' H ' ' A' ' 121' ' ' GLN . 21.1 Cg_endo -67.39 -133.71 0.01 OUTLIER 'Trans proline' 1 C--O 0.977 -12.558 0 C-N-CA 122.687 2.258 . . . . 0.0 112.323 178.504 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.438 ' H ' ' HB2' ' A' ' 120' ' ' PRO . 6.2 pt20 -86.31 83.8 7.61 Favored 'General case' 1 C--N 1.164 -7.475 2 O-C-N 110.871 -7.393 . . . . 0.0 110.984 179.35 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -142.24 -175.81 4.58 Favored 'General case' 0 C--N 1.29 -2.012 0 O-C-N 121.446 -0.784 . . . . 0.0 110.124 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -70.7 91.63 0.83 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.008 0.432 . . . . 0.0 110.723 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 179.45 -28.74 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.013 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.478 ' HB3' ' H ' ' A' ' 126' ' ' GLN . 6.7 tmtt? 68.4 -98.83 0.04 OUTLIER 'General case' 0 C--O 1.217 -0.649 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.764 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.478 ' H ' ' HB3' ' A' ' 125' ' ' LYS . 49.2 mt-30 52.34 -147.53 0.45 Allowed 'General case' 0 C--O 1.171 -3.073 0 CA-C-O 121.495 0.664 . . . . 0.0 111.064 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -96.84 106.28 3.33 Favored Glycine 0 C--N 1.266 -3.336 0 O-C-N 120.219 -1.551 . . . . 0.0 110.309 178.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -51.99 109.22 0.35 Allowed 'General case' 0 C--N 1.283 -2.301 0 N-CA-C 112.932 0.715 . . . . 0.0 112.932 -178.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 2.7 m -132.78 86.49 43.72 Favored Pre-proline 0 C--O 1.206 -1.227 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.081 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.428 ' HA ' ' HB3' ' A' ' 120' ' ' PRO . 57.4 Cg_endo -80.61 14.38 2.03 Favored 'Trans proline' 1 C--O 1.142 -4.308 0 C-N-CA 123.344 2.696 . . . . 0.0 113.843 -179.312 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 13.2 m -136.96 120.3 16.89 Favored 'General case' 0 C--N 1.271 -2.82 0 O-C-N 119.937 -1.727 . . . . 0.0 112.461 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -99.36 132.78 11.05 Favored Glycine 1 C--O 0.984 -15.477 0 CA-C-O 119.419 -0.656 . . . . 0.0 114.238 179.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.682 ' OG1' ' HB1' ' A' ' 2' ' ' ALA . 0.0 OUTLIER -69.28 150.81 46.99 Favored 'General case' 2 C--O 1.085 -7.555 2 O-C-N 114.045 -5.385 . . . . 0.0 115.63 -178.977 . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.01 165.37 11.93 Favored 'General case' 2 C--O 1.027 -10.655 0 O-C-N 118.582 -2.574 . . . . 0.0 111.355 179.314 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . 0.54 ' O ' ' HA ' ' A' ' 112' ' ' SER . . . -125.31 172.47 17.33 Favored Glycine 2 C--N 1.193 -7.39 1 O-C-N 114.306 -5.247 . . . . 0.0 112.806 179.685 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -140.23 113.41 8.38 Favored 'General case' 0 C--N 1.275 -2.651 0 CA-C-N 119.941 1.871 . . . . 0.0 112.207 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.56 ' OG1' HD13 ' A' ' 6' ' ' LEU . 1.5 m -128.08 126.63 41.57 Favored 'General case' 0 C--N 1.29 -2.0 0 O-C-N 121.573 -0.704 . . . . 0.0 109.652 178.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 1.394 ' NZ ' ' CD ' ' A' ' 138' ' ' LYS . 0.3 OUTLIER -112.51 145.91 39.42 Favored 'General case' 1 C--O 1.105 -6.545 0 CA-C-O 120.948 0.404 . . . . 0.0 111.85 -179.632 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -125.92 77.81 1.7 Allowed 'General case' 1 C--N 1.23 -4.614 0 O-C-N 118.334 -2.729 . . . . 0.0 109.856 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' THR . . . . . 1.195 ' CG2' ' CA ' ' A' ' 140' ' ' THR . 2.4 m -87.99 130.64 34.9 Favored 'General case' 1 C--O 1.044 -9.737 0 O-C-N 120.863 -1.148 . . . . 0.0 112.0 -179.276 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 1.405 ' CG1' ' CA ' ' A' ' 141' ' ' VAL . 90.5 t -85.33 113.11 23.18 Favored 'Isoleucine or valine' 3 C--O 0.689 -28.423 2 CA-C-O 145.714 12.197 . . . . 0.0 113.606 179.891 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 1.34 ' CA ' ' C ' ' A' ' 141' ' ' VAL 1.132 0.2 OUTLIER . . . . . 4 C--O 0.202 -54.056 4 O-C-N 72.424 -31.423 . . . . 0.0 153.122 -179.9 . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' GLU . . . . . 1.302 ' N ' ' OXT' ' A' ' 142' ' ' THR 1.339 0.1 OUTLIER . . . . . 3 C--O 0.554 -35.515 1 N-CA-C 158.314 17.524 . . . . 0.0 158.314 . . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.712 ' CD ' ' HG2' ' B' ' 2' ' ' GLU 0.654 6.2 mm-40 -104.38 168.62 8.97 Favored 'General case' 3 N--CA 0.97 -24.449 4 CA-C-N 136.154 8.616 . . . . 0.0 126.142 179.163 . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' CYS . . . . . 0.46 ' N ' ' HB3' ' B' ' 2' ' ' GLU . 3.2 t -120.65 105.97 11.29 Favored 'General case' 1 C--N 1.027 -13.431 3 O-C-N 103.658 -11.901 . . . . 0.0 110.476 -179.926 -153.591 23.054 110.124 106.881 1.964 103.994 -101.985 -44.915 4 3 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . 1.479 ' NE2' ' CG ' ' B' ' 4' ' ' GLN . 11.5 tt0 -123.03 91.84 3.57 Favored 'General case' 1 C--O 1.088 -7.438 0 O-C-N 120.553 -1.342 . . . . 0.0 110.459 179.333 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.414 ' HA ' ' HA ' ' B' ' 32' ' ' ALA . 41.4 t -77.95 111.82 15.21 Favored 'Isoleucine or valine' 1 C--N 1.192 -6.267 1 O-C-N 116.165 -4.085 . . . . 0.0 111.67 -179.445 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . 0.454 HH11 ' HD2' ' B' ' 6' ' ' ARG . 0.1 OUTLIER -92.66 142.32 27.5 Favored 'General case' 0 C--O 1.173 -2.926 0 CA-C-O 121.05 0.452 . . . . 0.0 110.032 179.485 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 11.7 p -144.97 153.47 14.38 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.795 0 O-C-N 120.489 -1.382 . . . . 0.0 110.644 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -136.68 143.98 15.51 Favored Glycine 1 C--O 1.14 -5.775 0 CA-C-N 118.685 0.675 . . . . 0.0 113.738 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.22 142.21 54.84 Favored 'General case' 1 C--N 1.243 -4.064 0 O-C-N 119.473 -2.192 . . . . 0.0 112.795 179.451 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.436 HD22 ' HA ' ' B' ' 28' ' ' VAL . 0.6 OUTLIER -144.28 160.11 41.55 Favored 'General case' 0 N--CA 1.427 -1.577 0 C-N-CA 122.754 0.422 . . . . 0.0 111.572 -179.817 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 2.5 m -133.74 124.08 26.02 Favored 'General case' 0 C--O 1.194 -1.832 0 CA-C-O 121.062 0.458 . . . . 0.0 110.869 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 11.9 p -109.38 162.63 6.99 Favored 'Isoleucine or valine' 1 C--O 1.091 -7.279 0 O-C-N 121.402 -0.811 . . . . 0.0 109.808 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.01 65.9 1.36 Allowed 'General case' 1 C--O 1.025 -10.744 0 CA-C-N 122.984 2.629 . . . . 0.0 114.164 -178.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -135.37 133.27 38.55 Favored 'General case' 2 C--O 1.032 -10.369 1 O-C-N 115.413 -4.554 . . . . 0.0 111.744 178.215 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . 0.44 ' HA ' ' CG1' ' B' ' 142' ' ' VAL . 13.7 t -81.45 155.27 25.93 Favored 'General case' 1 C--N 1.165 -7.436 1 O-C-N 113.855 -5.528 . . . . 0.0 113.027 -178.399 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . 0.665 ' HG2' HD22 ' B' ' 65' ' ' LEU . 60.2 mtp180 -64.95 -37.56 88.05 Favored 'General case' 1 C--O 1.141 -4.639 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.871 179.64 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -46.04 -16.08 0.14 Allowed Glycine 1 C--O 1.147 -5.317 0 N-CA-C 117.176 1.63 . . . . 0.0 117.176 178.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -92.49 -59.55 2.05 Favored 'General case' 1 C--O 1.023 -10.82 0 CA-C-N 118.625 1.212 . . . . 0.0 109.762 178.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 1.584 ' CD1' ' CB ' ' B' ' 19' ' ' LEU . 12.0 mt -46.68 100.06 0.02 OUTLIER 'General case' 1 C--N 1.161 -7.626 1 O-C-N 115.086 -4.759 . . . . 0.0 113.98 179.011 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.4 -43.5 7.98 Favored 'General case' 0 C--N 1.286 -2.192 0 CA-C-O 121.768 0.794 . . . . 0.0 111.083 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' B' ' 22' ' ' ALA . 32.8 t70 -141.36 130.51 23.41 Favored 'General case' 1 C--O 1.059 -8.967 0 O-C-N 121.24 -0.913 . . . . 0.0 110.538 179.688 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.668 ' HB1' ' HD2' ' B' ' 99' ' ' TYR . . . 4.87 89.79 0.01 OUTLIER 'General case' 1 C--N 1.227 -4.726 0 C-N-CA 129.689 3.196 . . . . 0.0 114.572 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.425 ' O ' ' HA ' ' B' ' 99' ' ' TYR . . . -130.79 137.34 30.56 Favored Pre-proline 0 C--N 1.3 -1.579 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.214 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' PRO . . . . . 0.407 ' HA ' ' O ' ' B' ' 98' ' ' ILE . 32.1 Cg_endo -72.49 119.16 5.95 Favored 'Trans proline' 0 C--O 1.208 -1.019 0 C-N-CA 122.743 2.295 . . . . 0.0 113.59 -179.204 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 1.2 pt -135.74 44.73 0.47 Allowed 'Isoleucine or valine' 1 C--O 1.085 -7.554 0 CA-C-O 121.985 0.898 . . . . 0.0 112.246 179.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 165.54 88.3 0.07 OUTLIER Glycine 1 C--N 1.213 -6.251 1 O-C-N 116.128 -4.108 . . . . 0.0 113.202 179.714 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_endo -80.3 98.31 1.09 Allowed 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 123.001 2.467 . . . . 0.0 112.719 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.444 ' O ' ' HA ' ' B' ' 95' ' ' THR . 11.7 t -75.26 123.09 30.36 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.376 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 4.6 t -74.25 107.01 6.16 Favored 'General case' 0 C--O 1.215 -0.739 0 CA-C-O 121.741 0.782 . . . . 0.0 111.115 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.443 HG11 HD11 ' B' ' 42' ' ' LEU . 46.5 t -122.22 125.39 72.85 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.553 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.858 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.55 111.08 12.38 Favored 'General case' 0 C--O 1.159 -3.662 0 O-C-N 121.604 -0.685 . . . . 0.0 112.252 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . 0.414 ' HA ' ' HA ' ' B' ' 5' ' ' VAL . . . -86.42 145.67 26.75 Favored 'General case' 1 C--O 1.142 -4.578 0 O-C-N 120.312 -1.493 . . . . 0.0 111.615 179.475 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 16.9 tp -133.53 125.36 28.71 Favored 'General case' 0 C--N 1.271 -2.833 0 O-C-N 120.262 -1.524 . . . . 0.0 111.855 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.59 -6.37 69.64 Favored Glycine 0 C--O 1.169 -3.958 0 C-N-CA 121.12 -0.562 . . . . 0.0 114.078 178.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 10.2 m -81.54 67.94 7.69 Favored 'General case' 1 C--O 1.136 -4.898 0 O-C-N 120.757 -1.437 . . . . 0.0 110.87 -179.597 -44.915 -101.985 110.124 103.994 1.964 106.881 23.054 -153.591 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -86.15 -22.94 26.77 Favored 'General case' 0 C--N 1.257 -3.452 0 O-C-N 119.211 -2.181 . . . . 0.0 111.545 -179.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -131.62 26.83 4.71 Favored 'General case' 0 C--O 1.2 -1.522 0 CA-C-O 121.409 0.624 . . . . 0.0 110.681 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.33 144.48 51.04 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.373 -0.829 . . . . 0.0 111.192 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -88.32 98.69 11.73 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.593 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' B' ' 85' ' ' TYR . 46.2 t -56.72 129.89 18.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.032 179.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.4 ' HB2' ' HB3' ' B' ' 85' ' ' TYR . . . -136.04 135.69 39.62 Favored 'General case' 0 C--O 1.183 -2.407 0 CA-C-O 122.155 0.979 . . . . 0.0 112.592 -178.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.443 HD11 HG11 ' B' ' 30' ' ' VAL . 1.4 mp -116.57 143.29 45.8 Favored 'General case' 0 C--N 1.275 -2.631 0 O-C-N 121.048 -1.032 . . . . 0.0 109.039 178.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.494 ' HZ2' ' HG3' ' B' ' 43' ' ' LYS . 6.4 mtmm -152.67 125.2 8.25 Favored 'General case' 0 C--O 1.178 -2.701 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -179.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.423 ' HA ' ' HA ' ' B' ' 116' ' ' LEU . . . -58.96 149.95 25.82 Favored 'General case' 0 C--O 1.156 -3.859 0 C-N-CA 123.229 0.612 . . . . 0.0 111.814 178.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -64.46 162.11 15.86 Favored 'General case' 0 C--N 1.27 -2.871 0 C-N-CA 124.027 0.931 . . . . 0.0 112.12 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 13.4 t -54.76 -23.63 18.81 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 -178.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -76.01 -29.04 57.99 Favored 'General case' 1 C--O 1.123 -5.593 0 CA-C-O 120.869 0.366 . . . . 0.0 111.138 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . 0.527 ' HB3' ' O ' ' B' ' 55' ' ' PHE . 0.1 OUTLIER -110.33 -5.55 15.21 Favored 'General case' 1 C--O 1.092 -7.217 0 O-C-N 119.279 -2.138 . . . . 0.0 111.685 179.019 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -113.13 115.36 28.16 Favored 'General case' 1 C--N 1.228 -4.691 0 O-C-N 117.451 -3.281 . . . . 0.0 111.412 178.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . 1.167 ' OE2' ' CG ' ' B' ' 50' ' ' GLU . 0.0 OUTLIER -129.74 117.34 20.14 Favored 'General case' 0 C--N 1.291 -1.96 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -179.76 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 56.74 21.71 6.21 Favored 'General case' 1 C--O 0.881 -18.306 0 CA-C-O 123.493 1.616 . . . . 0.0 112.278 179.187 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 94.97 49.67 2.23 Favored Glycine 2 C--N 1.09 -13.087 3 O-C-N 105.314 -10.866 . . . . 0.0 112.366 -179.409 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt -148.73 133.7 18.12 Favored 'General case' 1 C--O 0.978 -13.214 0 CA-C-N 119.306 1.553 . . . . 0.0 111.374 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 21.6 m-30 -98.15 126.57 43.66 Favored 'General case' 1 C--N 1.16 -7.648 2 O-C-N 112.343 -6.473 . . . . 0.0 109.68 179.227 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' PHE . . . . . 0.527 ' O ' ' HB3' ' B' ' 48' ' ' ASN . 31.3 p90 -139.95 149.09 42.86 Favored 'General case' 0 C--N 1.271 -2.81 0 O-C-N 120.59 -1.318 . . . . 0.0 110.843 179.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.428 HD11 HD21 ' B' ' 56' ' ' LEU . 0.0 OUTLIER -93.69 132.87 37.62 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.049 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 9.1 tp -100.5 146.88 8.43 Favored 'Isoleucine or valine' 0 C--O 1.189 -2.095 0 CA-C-O 119.492 -0.289 . . . . 0.0 111.52 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.43 161.35 27.81 Favored 'General case' 1 C--O 1.135 -4.953 0 C-N-CA 122.8 0.44 . . . . 0.0 111.264 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -70.32 -25.43 63.3 Favored 'General case' 1 C--N 1.24 -4.186 0 O-C-N 120.665 -1.272 . . . . 0.0 112.944 -179.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -117.03 10.73 14.05 Favored 'General case' 0 C--N 1.27 -2.891 0 O-C-N 120.888 -1.132 . . . . 0.0 109.695 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 44.2 t30 62.7 99.95 0.03 OUTLIER 'General case' 0 C--O 1.191 -1.978 0 CA-C-O 121.699 0.761 . . . . 0.0 112.027 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -147.25 -69.45 0.24 Allowed 'General case' 0 C--O 1.155 -3.88 0 O-C-N 121.586 -0.696 . . . . 0.0 111.584 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 1.256 ' OD2' ' CB ' ' B' ' 63' ' ' ASP . 10.4 t0 -120.0 160.47 22.71 Favored 'General case' 0 C--N 1.263 -3.174 0 O-C-N 119.783 -1.823 . . . . 0.0 110.849 -178.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 38.6 pttt -132.45 147.42 52.37 Favored 'General case' 0 C--O 1.195 -1.802 0 CA-C-O 121.319 0.58 . . . . 0.0 110.795 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.665 HD22 ' HG2' ' B' ' 16' ' ' ARG . 22.4 tp -127.58 121.79 31.51 Favored 'General case' 0 C--O 1.167 -3.255 0 O-C-N 121.738 -0.601 . . . . 0.0 110.543 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' TYR . . . . . 1.351 ' CZ ' ' CD2' ' B' ' 66' ' ' TYR . 8.1 m-85 -77.08 123.15 25.96 Favored 'General case' 0 C--N 1.275 -2.657 0 O-C-N 120.707 -1.246 . . . . 0.0 110.029 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 30.5 m -134.8 152.18 32.62 Favored 'Isoleucine or valine' 1 C--O 1.087 -7.454 0 CA-C-O 121.858 0.837 . . . . 0.0 111.724 -178.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -118.58 149.72 40.88 Favored 'General case' 1 C--N 1.212 -5.372 0 O-C-N 116.596 -3.815 . . . . 0.0 109.396 177.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' ILE . . . . . 0.496 HG21 HD13 ' B' ' 69' ' ' ILE . 0.1 OUTLIER -97.09 155.62 3.54 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.241 0 O-C-N 121.036 -1.04 . . . . 0.0 111.366 -178.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . 0.626 ' HG3' ' HD2' ' B' ' 71' ' ' PRO . 2.7 tpt85 -148.55 146.03 21.53 Favored Pre-proline 0 C--O 1.193 -1.884 0 C-N-CA 122.855 0.462 . . . . 0.0 109.817 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . 0.626 ' HD2' ' HG3' ' B' ' 70' ' ' ARG . 6.1 Cg_endo -73.17 10.05 1.26 Allowed 'Trans proline' 0 C--O 1.207 -1.054 0 C-N-CA 123.405 2.737 . . . . 0.0 113.874 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 18.4 ttp 64.9 -83.69 0.03 OUTLIER 'General case' 0 C--O 1.201 -1.495 0 C-N-CA 123.731 0.813 . . . . 0.0 111.408 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -151.21 46.4 0.82 Allowed 'General case' 1 C--O 1.15 -4.132 0 CA-C-O 122.313 1.054 . . . . 0.0 110.625 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -103.49 -76.6 0.58 Allowed 'General case' 1 C--O 0.853 -19.771 0 CA-C-O 124.336 2.017 . . . . 0.0 111.371 -179.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 14.5 m -144.12 177.77 8.35 Favored 'General case' 1 C--N 1.074 -11.378 3 O-C-N 103.074 -12.267 . . . . 0.0 111.111 -179.212 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.89 125.32 28.86 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 121.136 0.493 . . . . 0.0 111.442 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' TRP . . . . . 0.561 ' CE2' ' HB3' ' B' ' 86' ' ' LYS . 6.5 m95 -127.45 156.99 41.23 Favored 'General case' 1 C--O 1.139 -4.741 0 CA-C-O 121.58 0.705 . . . . 0.0 110.351 179.887 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.14 106.97 18.84 Favored 'General case' 1 C--N 1.243 -4.041 0 O-C-N 118.859 -2.401 . . . . 0.0 109.237 178.422 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' THR . . . . . . . . . . . . . 6.3 t -71.15 154.7 41.51 Favored 'General case' 0 C--O 1.159 -3.698 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -178.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' ASP . . . . . 0.55 ' HB3' ' O ' ' B' ' 83' ' ' VAL . 6.5 t70 178.13 144.24 0.11 Allowed 'General case' 1 C--O 1.087 -7.454 0 C-N-CA 126.352 1.861 . . . . 0.0 109.877 179.402 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -87.97 -7.49 57.03 Favored 'General case' 1 C--N 1.212 -5.388 0 O-C-N 116.66 -3.775 . . . . 0.0 111.568 -179.588 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -118.91 -19.85 4.28 Favored Glycine 1 C--N 1.253 -4.038 0 O-C-N 119.814 -1.804 . . . . 0.0 113.164 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.55 ' O ' ' HB3' ' B' ' 80' ' ' ASP . 2.4 m -149.12 123.63 1.79 Allowed 'Isoleucine or valine' 1 C--O 0.959 -14.19 0 CA-C-O 124.485 2.088 . . . . 0.0 110.679 -179.909 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . 0.621 ' HZ ' ' HD3' ' B' ' 71' ' ' PRO . 4.1 t80 -115.25 124.71 52.07 Favored 'General case' 1 C--N 1.114 -9.644 2 O-C-N 109.357 -8.34 . . . . 0.0 110.604 -179.319 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' TYR . . . . . 0.412 ' HA ' ' O ' ' B' ' 40' ' ' VAL . 37.8 p90 -155.88 159.79 39.62 Favored 'General case' 0 C--N 1.284 -2.264 0 O-C-N 121.074 -1.017 . . . . 0.0 110.614 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . 0.561 ' HB3' ' CE2' ' B' ' 77' ' ' TRP . 9.9 ptmm? -98.42 130.1 45.05 Favored 'General case' 0 C--O 1.178 -2.706 0 CA-C-O 121.188 0.518 . . . . 0.0 110.798 179.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.99 -33.5 68.16 Favored 'General case' 1 C--O 1.113 -6.125 0 O-C-N 121.262 -0.898 . . . . 0.0 111.514 179.772 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -88.59 117.07 27.29 Favored 'General case' 1 C--N 1.236 -4.33 0 O-C-N 118.546 -2.596 . . . . 0.0 110.492 179.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . 0.422 ' H ' HG22 ' B' ' 89' ' ' VAL . 27.7 m -78.89 137.66 21.48 Favored 'Isoleucine or valine' 1 C--O 1.096 -7.024 0 O-C-N 121.273 -0.892 . . . . 0.0 112.991 -179.547 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 156.03 175.49 27.08 Favored Glycine 3 C--O 1.092 -8.743 0 O-C-N 119.666 -1.896 . . . . 0.0 111.556 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 1.7 m -61.4 144.6 53.79 Favored 'General case' 1 C--N 1.226 -4.771 0 O-C-N 117.86 -3.141 . . . . 0.0 111.662 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' TRP . . . . . 0.595 ' HH2' HG23 ' B' ' 96' ' ' ILE . 40.4 t90 -157.61 166.04 33.93 Favored 'General case' 1 C--O 0.902 -17.203 0 O-C-N 120.146 -1.596 . . . . 0.0 110.475 -178.81 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . 166.34 76.14 0.03 OUTLIER Glycine 2 C--N 1.146 -10.022 3 O-C-N 109.408 -8.307 . . . . 0.0 113.022 179.412 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -141.3 151.5 22.64 Favored Glycine 2 C--O 0.976 -16.016 0 O-C-N 118.103 -2.998 . . . . 0.0 113.36 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' THR . . . . . 0.444 ' HA ' ' O ' ' B' ' 28' ' ' VAL . 0.6 OUTLIER -58.21 126.36 27.18 Favored 'General case' 1 C--N 1.124 -9.224 3 O-C-N 110.643 -7.386 . . . . 0.0 113.038 -179.455 . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' ILE . . . . . 0.595 HG23 ' HH2' ' B' ' 92' ' ' TRP . 12.5 pt -102.98 117.23 48.06 Favored 'Isoleucine or valine' 0 C--O 1.173 -2.929 0 CA-C-O 121.12 0.486 . . . . 0.0 110.444 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' GLY . . . . . . . . . . . . . . . -71.59 174.91 41.48 Favored Glycine 1 C--O 1.106 -7.869 0 O-C-N 120.636 -1.29 . . . . 0.0 113.575 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' ILE . . . . . 0.407 ' O ' ' HA ' ' B' ' 24' ' ' PRO . 41.7 mt -124.77 124.56 68.2 Favored 'Isoleucine or valine' 1 C--N 1.214 -5.297 0 O-C-N 117.48 -3.365 . . . . 0.0 108.743 -179.72 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' TYR . . . . . 0.668 ' HD2' ' HB1' ' B' ' 22' ' ' ALA . 2.3 m-85 -103.13 -166.53 1.28 Allowed 'General case' 1 C--O 1.044 -9.715 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -179.3 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 9.5 p -130.46 145.84 34.96 Favored 'Isoleucine or valine' 1 C--N 1.208 -5.553 1 O-C-N 114.92 -4.863 . . . . 0.0 109.954 179.85 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -101.89 84.92 2.61 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-O 121.181 0.515 . . . . 0.0 111.633 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . 67.02 32.03 79.63 Favored Glycine 0 C--O 1.197 -2.162 0 CA-C-N 115.852 -0.613 . . . . 0.0 114.426 178.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 50.33 -168.67 0.03 OUTLIER 'General case' 0 C--O 1.196 -1.75 0 C-N-CA 124.56 1.144 . . . . 0.0 112.344 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -164.47 15.26 0.05 Allowed 'General case' 1 C--O 1.11 -6.281 0 CA-C-O 122.262 1.03 . . . . 0.0 111.829 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' THR . . . . . 0.744 ' O ' ' HB3' ' B' ' 106' ' ' ASN . 14.3 m 78.17 -45.48 0.42 Allowed 'General case' 2 C--O 0.927 -15.919 0 O-C-N 117.662 -3.148 . . . . 0.0 112.637 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' ASN . . . . . 0.744 ' HB3' ' O ' ' B' ' 105' ' ' THR . 0.0 OUTLIER 79.84 92.88 0.05 Allowed 'General case' 2 C--N 1.057 -12.118 3 O-C-N 107.816 -9.302 . . . . 0.0 117.215 178.38 . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.34 134.46 40.46 Favored Pre-proline 1 C--N 1.232 -4.516 0 O-C-N 120.333 -1.48 . . . . 0.0 108.658 176.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -38.4 94.68 0.02 OUTLIER 'Trans proline' 0 C--O 1.186 -2.086 1 C-N-CA 126.069 4.513 . . . . 0.0 116.384 -177.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -104.65 179.91 0.1 Allowed 'Trans proline' 1 C--O 1.048 -9.011 0 C-N-CA 124.908 3.739 . . . . 0.0 114.177 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' GLY . . . . . . . . . . . . . . . -124.91 -53.66 0.18 Allowed Glycine 2 C--O 1.104 -8.027 1 O-C-N 114.802 -4.936 . . . . 0.0 112.918 178.665 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -146.75 149.37 33.25 Favored 'General case' 2 C--O 1.03 -10.496 0 O-C-N 118.021 -3.046 . . . . 0.0 113.258 -179.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -135.2 139.17 44.32 Favored 'General case' 2 C--N 1.202 -5.827 1 O-C-N 115.802 -4.311 . . . . 0.0 111.569 179.379 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 8.7 m -130.96 138.9 49.93 Favored 'General case' 1 C--N 1.241 -4.123 0 O-C-N 118.164 -2.835 . . . . 0.0 111.485 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . 0.467 ' O ' ' HG ' ' B' ' 114' ' ' LEU . 0.6 OUTLIER -139.1 131.63 28.73 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-O 121.012 0.434 . . . . 0.0 110.381 179.084 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' THR . . . . . 0.497 HG22 HG22 ' B' ' 135' ' ' THR . 0.2 OUTLIER -97.97 123.13 41.83 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-O 120.84 0.353 . . . . 0.0 110.996 -179.865 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.423 ' HA ' ' HA ' ' B' ' 44' ' ' ALA . 73.2 mt -112.35 119.14 37.26 Favored 'General case' 0 C--N 1.308 -1.218 0 O-C-N 122.092 -0.38 . . . . 0.0 111.458 -179.204 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -83.44 155.68 23.31 Favored 'General case' 0 C--O 1.182 -2.481 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 178.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . -123.67 159.77 18.27 Favored Glycine 1 C--O 1.12 -6.979 0 O-C-N 120.442 -1.411 . . . . 0.0 112.901 -178.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' GLY . . . . . 0.453 ' HA3' ' O ' ' B' ' 130' ' ' THR . . . 158.48 -145.93 12.42 Favored Glycine 1 C--N 1.24 -4.751 0 O-C-N 118.458 -2.789 . . . . 0.0 111.515 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -129.32 169.7 14.54 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 117.522 0.661 . . . . 0.0 110.675 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 121' ' ' TRP . . . . . 0.544 ' CZ3' HG11 ' B' ' 83' ' ' VAL . 34.5 t-105 -130.86 145.46 52.0 Favored 'General case' 1 C--O 1.137 -4.862 0 CA-C-O 121.289 0.566 . . . . 0.0 111.452 -178.761 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -129.98 142.48 50.63 Favored 'General case' 0 C--N 1.25 -3.756 0 O-C-N 119.426 -2.046 . . . . 0.0 110.677 178.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 123' ' ' LYS . . . . . 0.47 ' HB3' ' H ' ' B' ' 124' ' ' ASP . 0.5 OUTLIER 65.06 -145.58 0.23 Allowed 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 122.866 0.466 . . . . 0.0 110.626 -179.719 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 124' ' ' ASP . . . . . 0.47 ' H ' ' HB3' ' B' ' 123' ' ' LYS . 4.2 p-10 -157.07 143.53 18.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 122.266 -0.271 . . . . 0.0 111.035 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 125' ' ' ASN . . . . . . . . . . . . . 4.1 t30 56.19 8.59 0.41 Allowed 'General case' 1 C--O 1.051 -9.368 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 178.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 126' ' ' LYS . . . . . . . . . . . . . 22.8 pttt -105.09 9.58 34.24 Favored 'General case' 1 C--N 1.219 -5.103 1 O-C-N 115.136 -4.728 . . . . 0.0 111.614 -179.557 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 56.74 42.55 26.61 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.422 0.63 . . . . 0.0 110.883 -179.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . -84.37 68.71 3.47 Favored Glycine 0 C--O 1.188 -2.772 0 C-N-CA 121.104 -0.57 . . . . 0.0 112.837 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 129' ' ' PHE . . . . . 0.461 ' HB2' ' HE3' ' B' ' 43' ' ' LYS . 27.2 p90 -104.36 165.54 10.99 Favored 'General case' 1 C--O 1.071 -8.31 0 O-C-N 121.7 -0.883 . . . . 0.0 111.308 179.667 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . 0.453 ' O ' ' HA3' ' B' ' 119' ' ' GLY . 13.7 m -154.95 122.79 2.88 Favored Pre-proline 1 C--N 1.232 -4.514 0 O-C-N 117.955 -2.965 . . . . 0.0 110.421 -179.749 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 131' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' B' ' 130' ' ' THR . 16.6 Cg_exo -64.82 99.48 0.32 Allowed 'Trans proline' 1 C--O 1.119 -5.459 0 C-N-CA 123.348 2.699 . . . . 0.0 112.592 179.344 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 15.3 m -133.22 68.22 1.51 Allowed 'General case' 1 C--N 1.233 -4.478 0 O-C-N 118.411 -2.681 . . . . 0.0 110.32 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 133' ' ' GLY . . . . . . . . . . . . . . . 167.56 -125.86 1.36 Allowed Glycine 2 C--O 1.159 -4.573 0 O-C-N 119.814 -1.804 . . . . 0.0 112.976 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -143.73 152.18 40.96 Favored 'General case' 0 C--N 1.263 -3.171 0 O-C-N 120.266 -1.726 . . . . 0.0 111.065 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 135' ' ' THR . . . . . 0.497 HG22 HG22 ' B' ' 115' ' ' THR . 2.6 m -91.33 120.67 32.4 Favored 'General case' 0 C--N 1.276 -2.592 0 O-C-N 121.173 -0.955 . . . . 0.0 110.087 178.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -97.91 158.57 20.75 Favored Glycine 1 C--O 1.125 -6.708 0 C-N-CA 121.107 -0.568 . . . . 0.0 113.331 -179.078 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 137' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -122.33 105.07 9.87 Favored 'General case' 2 C--O 1.138 -4.785 0 O-C-N 118.683 -2.657 . . . . 0.0 110.92 -179.894 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 138' ' ' THR . . . . . . . . . . . . . 3.6 m -92.82 132.19 37.21 Favored 'General case' 1 C--N 1.239 -4.206 0 O-C-N 118.59 -2.569 . . . . 0.0 110.588 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 139' ' ' LYS . . . . . . . . . . . . . 6.5 mtmt -119.05 130.28 55.55 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-O 121.515 0.674 . . . . 0.0 110.965 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 13.1 tp -112.73 129.3 56.46 Favored 'General case' 1 C--O 1.094 -7.09 0 CA-C-O 121.408 0.623 . . . . 0.0 110.329 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 141' ' ' THR . . . . . . . . . . . . . 1.4 m -99.32 133.42 43.65 Favored 'General case' 2 C--O 1.119 -5.764 0 O-C-N 116.857 -3.652 . . . . 0.0 109.957 179.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 142' ' ' VAL . . . . . 0.44 ' CG1' ' HA ' ' B' ' 15' ' ' THR . 0.0 OUTLIER -126.84 110.11 22.4 Favored 'Isoleucine or valine' 1 C--N 1.24 -4.188 0 O-C-N 119.793 -1.817 . . . . 0.0 112.154 -178.271 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.169 -3.18 0 CA-C-O 118.218 -0.896 . . . . 0.0 112.502 179.991 . . . . . . . . 1 1 . 1 stop_ save_