data_1og7_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 1og7 _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 45.4 t . . . . . 0 C--O 1.242 0.71 0 CA-C-O 121.217 0.532 . . . . 0.0 111.875 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -126.2 68.11 1.21 Allowed 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 126.272 1.829 . . . . 0.0 111.971 174.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 78.9 m -59.61 138.71 57.64 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.841 1.656 . . . . 0.0 114.222 -174.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -115.3 -68.53 0.45 Allowed Glycine 0 CA--C 1.544 1.874 0 C-N-CA 126.058 1.79 . . . . 0.0 111.098 168.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -143.66 -39.96 0.3 Allowed 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.518 1.127 . . . . 0.0 113.842 175.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -136.95 22.86 3.06 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 126.258 1.823 . . . . 0.0 112.913 178.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.8 p -134.08 11.44 3.91 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.515 1.526 . . . . 0.0 114.676 -149.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 88.7 m -45.51 94.01 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 127.555 2.342 . . . . 0.0 112.281 173.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.1 m -64.58 -52.95 54.94 Favored 'General case' 0 C--N 1.349 0.564 0 N-CA-C 116.256 1.947 . . . . 0.0 116.256 -145.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.6 t 63.79 -70.7 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 CA-C-N 121.389 1.904 . . . . 0.0 112.33 -170.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -173.77 -6.35 0.01 OUTLIER 'General case' 0 CA--C 1.558 1.254 1 C-N-CA 134.079 4.952 . . . . 0.0 110.485 169.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -132.94 16.04 4.23 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 127.804 2.441 . . . . 0.0 116.44 -168.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.53 -18.47 65.74 Favored Glycine 0 N--CA 1.477 1.428 0 O-C-N 119.657 -1.902 . . . . 0.0 113.67 -178.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.6 p -66.03 -36.35 83.01 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.306 1.442 . . . . 0.0 113.129 164.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.59 -62.38 1.62 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.004 1.322 . . . . 0.0 110.763 174.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 11.1 pt -59.59 -35.84 61.7 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 O-C-N 121.338 -0.851 . . . . 0.0 112.248 179.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.28 -45.9 95.26 Favored Glycine 0 CA--C 1.531 1.053 0 C-N-CA 123.48 0.562 . . . . 0.0 113.235 173.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -65.65 -46.93 77.31 Favored 'General case' 0 C--O 1.221 -0.447 0 C-N-CA 124.679 1.192 . . . . 0.0 112.015 178.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 64.1 mt -55.92 -49.6 74.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 125.947 1.699 . . . . 0.0 109.365 176.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.79 -49.07 63.21 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 125.606 1.574 . . . . 0.0 113.396 173.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.77 -22.8 60.78 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.013 1.406 . . . . 0.0 113.887 179.408 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -71.26 -38.38 71.89 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 120.036 -1.665 . . . . 0.0 111.505 171.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.3 -48.92 78.95 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 120.865 -1.147 . . . . 0.0 110.121 164.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.24 -3.59 2.94 Favored 'General case' 0 CA--C 1.556 1.199 0 N-CA-C 116.419 2.007 . . . . 0.0 116.419 171.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -121.92 11.58 10.35 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 168.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.493 ' C ' ' H ' ' A' ' 34' ' ' ALA . 1.5 m-80 -61.03 -48.93 79.49 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 118.216 -1.394 . . . . 0.0 107.648 127.232 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER 65.73 -30.68 0.14 Allowed 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 127.873 2.469 . . . . 0.0 113.947 -176.049 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.493 ' H ' ' C ' ' A' ' 32' ' ' ASN . . . . . . . . 0 CA--C 1.563 1.449 0 C-N-CA 127.99 2.516 . . . . 0.0 113.847 137.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 66.1 t . . . . . 0 N--CA 1.468 0.431 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -128.63 81.11 2.01 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.447 0.699 . . . . 0.0 112.233 175.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 98.3 m -71.05 93.96 1.06 Allowed 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 122.97 0.508 . . . . 0.0 110.114 168.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 139.18 -73.14 0.41 Allowed Glycine 0 C--N 1.335 0.501 0 C-N-CA 125.55 1.548 . . . . 0.0 111.81 -178.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -60.78 -32.98 72.29 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.242 1.417 . . . . 0.0 113.9 179.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 -143.16 37.43 1.39 Allowed 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 126.026 1.73 . . . . 0.0 112.7 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.8 m 40.81 47.28 2.48 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 127.231 2.212 . . . . 0.0 116.393 173.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.4 m 71.4 74.38 0.18 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 128.486 2.715 . . . . 0.0 112.675 178.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.13 173.4 0.47 Allowed 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 126.159 1.784 . . . . 0.0 112.251 160.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.5 m -105.24 -175.91 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.957 0 C-N-CA 127.242 2.217 . . . . 0.0 112.332 169.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -54.27 -24.19 17.88 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.762 2.025 . . . . 0.0 114.105 164.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . 0.27 0.0 OUTLIER -76.44 11.75 1.48 Allowed 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 117.89 2.552 . . . . 0.0 117.89 -165.482 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.98 -15.1 57.77 Favored Glycine 0 CA--C 1.538 1.48 0 O-C-N 120.785 -1.197 . . . . 0.0 113.156 177.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.8 p -64.89 -43.24 93.53 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.689 1.596 . . . . 0.0 113.651 163.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.65 -64.63 0.89 Allowed 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 126.035 1.734 . . . . 0.0 110.874 178.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.4 pt -58.9 -37.82 69.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 177.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -50.0 -62.52 4.91 Favored Glycine 0 N--CA 1.475 1.258 0 C-N-CA 126.067 1.794 . . . . 0.0 112.73 171.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -61.49 -48.9 79.01 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.208 1.003 . . . . 0.0 112.896 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 70.4 mt -54.09 -52.6 35.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 125.39 1.476 . . . . 0.0 111.17 175.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.03 -23.66 69.72 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 115.886 1.115 . . . . 0.0 115.886 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.9 m-80 -99.65 -19.63 16.71 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-N 119.364 1.582 . . . . 0.0 113.373 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -66.77 -43.68 83.36 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 119.744 1.156 . . . . 0.0 111.056 155.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.79 -36.79 70.27 Favored 'General case' 0 C--N 1.341 0.239 0 O-C-N 121.411 -0.806 . . . . 0.0 110.975 170.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.53 -9.18 58.57 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 116.432 2.012 . . . . 0.0 116.432 176.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.11 -25.29 64.33 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 120.508 -1.37 . . . . 0.0 111.709 153.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -101.05 6.33 43.34 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 127.139 2.176 . . . . 0.0 113.536 174.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -46.23 -42.25 14.0 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 127.589 2.356 . . . . 0.0 113.032 178.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.402 0 C-N-CA 125.57 1.548 . . . . 0.0 113.792 -178.006 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.6 p . . . . . 0 N--CA 1.473 0.715 0 CA-C-O 123.393 1.568 . . . . 0.0 111.609 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -129.75 53.75 1.89 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 128.093 2.557 . . . . 0.0 110.922 -166.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.7 t -56.99 110.68 0.86 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 127.356 2.262 . . . . 0.0 113.373 -167.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.72 -24.2 0.23 Allowed Glycine 0 CA--C 1.533 1.163 0 C-N-CA 124.652 1.12 . . . . 0.0 115.787 178.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -61.11 -59.85 4.7 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.926 1.291 . . . . 0.0 111.706 176.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -136.7 -54.43 0.72 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 127.05 2.14 . . . . 0.0 110.769 171.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.4 m -138.24 179.68 6.31 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 127.739 2.416 . . . . 0.0 111.125 178.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 86.8 m -67.76 100.96 0.98 Allowed 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.773 0.829 . . . . 0.0 111.243 174.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.2 m -50.74 -36.41 36.33 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 126.961 2.104 . . . . 0.0 115.009 -159.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.504 ' HA ' ' H ' ' A' ' 18' ' ' TRP 0.367 2.8 p -140.72 73.67 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-O 122.8 1.286 . . . . 0.0 113.917 154.64 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -84.85 14.47 4.78 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 114.372 -1.286 . . . . 0.0 111.429 129.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.504 ' H ' ' HA ' ' A' ' 16' ' ' VAL 0.275 0.0 OUTLIER -75.82 17.65 0.3 Allowed 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 127.894 2.477 . . . . 0.0 115.548 -148.772 . . . . . . . . 4 4 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.39 -14.62 60.09 Favored Glycine 0 CA--C 1.553 2.431 0 O-C-N 119.404 -2.06 . . . . 0.0 112.893 -177.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.9 p -65.23 -40.78 94.55 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 126.267 1.827 . . . . 0.0 112.965 161.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.53 -62.2 1.66 Allowed 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 126.667 1.987 . . . . 0.0 111.391 178.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.5 pt -60.81 -41.42 88.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 O-C-N 121.37 -0.831 . . . . 0.0 112.014 177.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -51.06 -56.01 16.24 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 126.7 2.095 . . . . 0.0 113.025 171.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -58.06 -49.87 75.39 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.993 1.317 . . . . 0.0 113.152 175.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 78.0 mt -55.28 -48.63 76.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 O-C-N 121.482 -0.761 . . . . 0.0 110.194 176.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.13 -15.7 65.65 Favored Glycine 0 CA--C 1.534 1.252 0 N-CA-C 115.821 1.088 . . . . 0.0 115.821 177.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -110.82 -17.41 13.35 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 119.97 1.885 . . . . 0.0 114.115 -178.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -55.7 -49.02 74.12 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.523 -0.736 . . . . 0.0 110.04 145.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.86 -32.79 72.21 Favored 'General case' 0 CA--C 1.549 0.91 0 O-C-N 121.205 -0.934 . . . . 0.0 112.642 171.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.415 ' HA ' ' CD2' ' A' ' 33' ' ' TRP . . . -75.68 -9.89 58.97 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 119.333 -2.104 . . . . 0.0 115.562 171.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.95 -43.48 78.98 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 120.727 1.603 . . . . 0.0 110.44 152.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -68.12 -20.21 64.89 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 177.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.415 ' CD2' ' HA ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -43.28 -50.47 6.57 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 126.447 1.899 . . . . 0.0 111.317 170.928 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.8 0 C-N-CA 125.841 1.656 . . . . 0.0 115.088 -154.385 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.271 11.3 t . . . . . 0 CA--C 1.562 1.436 0 N-CA-C 116.827 2.158 . . . . 0.0 116.827 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . 0.284 70.7 m80 106.6 23.99 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.654 0 C-N-CA 130.23 3.412 . . . . 0.0 115.573 -179.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 67.0 m -58.49 137.53 57.31 Favored 'General case' 0 CA--C 1.552 1.024 0 O-C-N 120.475 -1.391 . . . . 0.0 111.383 174.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.98 -53.78 2.59 Favored Glycine 0 N--CA 1.48 1.61 0 C-N-CA 124.734 1.159 . . . . 0.0 113.599 -168.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -62.89 -54.97 30.4 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.703 1.201 . . . . 0.0 111.448 -175.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 63.1 t-80 -153.75 67.73 0.76 Allowed 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 127.081 2.152 . . . . 0.0 110.967 174.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.0 m 43.27 41.01 2.78 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 127.453 2.301 . . . . 0.0 116.829 170.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.4 m 56.16 32.0 19.34 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 125.359 1.464 . . . . 0.0 112.264 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 94.3 m -64.16 97.41 0.18 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.684 1.194 . . . . 0.0 113.591 172.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.3 t -56.33 -23.41 16.36 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.829 0 C-N-CA 127.843 2.457 . . . . 0.0 113.467 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.1 t70 120.97 -25.89 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.429 1 C-N-CA 134.031 4.932 . . . . 0.0 110.915 -173.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.9 22.1 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 129.65 3.18 . . . . 0.0 117.151 173.171 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.21 -20.84 55.48 Favored Glycine 0 CA--C 1.546 1.977 0 O-C-N 121.106 -0.997 . . . . 0.0 113.799 178.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.4 p -69.19 -36.02 76.87 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 127.395 2.278 . . . . 0.0 113.229 168.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.79 -56.58 20.31 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.996 1.318 . . . . 0.0 109.468 170.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.42 -30.69 50.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 O-C-N 121.278 -0.889 . . . . 0.0 111.863 179.155 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.22 -46.62 93.53 Favored Glycine 0 CA--C 1.534 1.268 0 C-N-CA 123.897 0.76 . . . . 0.0 113.688 168.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -63.56 -42.24 98.37 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.113 0.965 . . . . 0.0 112.598 175.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 93.5 mt -62.05 -41.56 91.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 124.178 0.991 . . . . 0.0 110.838 173.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.46 -51.65 55.0 Favored Glycine 0 N--CA 1.476 1.366 0 C-N-CA 126.036 1.779 . . . . 0.0 112.843 171.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -58.44 -41.7 85.69 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 118.269 1.035 . . . . 0.0 113.478 173.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -58.34 -45.77 87.52 Favored 'General case' 0 CA--C 1.554 1.119 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 176.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.54 -56.41 20.35 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 122.747 0.419 . . . . 0.0 110.979 170.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.3 -9.22 0.63 Allowed 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 125.507 1.523 . . . . 0.0 115.023 179.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -122.07 -3.72 9.05 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 117.073 2.249 . . . . 0.0 117.073 172.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -62.43 -7.76 5.02 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 120.542 -1.349 . . . . 0.0 111.172 132.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER 58.25 27.18 14.83 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.894 2.078 . . . . 0.0 110.411 -172.496 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.631 0 C-N-CA 129.024 2.93 . . . . 0.0 113.514 -167.209 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.346 0.8 OUTLIER . . . . . 0 CA--C 1.559 1.303 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -83.82 25.53 0.79 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 118.777 -2.452 . . . . 0.0 115.085 -175.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 97.6 m -48.85 124.62 8.85 Favored 'General case' 0 CA--C 1.548 0.901 0 O-C-N 121.215 -0.928 . . . . 0.0 111.153 170.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.16 -39.98 1.67 Allowed Glycine 0 CA--C 1.545 1.918 0 C-N-CA 124.95 1.262 . . . . 0.0 114.63 -175.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.37 -39.98 96.01 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 125.417 1.487 . . . . 0.0 113.524 173.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -151.94 -71.38 0.16 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 126.231 1.812 . . . . 0.0 111.18 171.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.7 t -156.61 159.59 38.62 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.194 1.798 . . . . 0.0 111.032 174.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 84.4 m -74.81 36.67 0.11 Allowed 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.255 1.422 . . . . 0.0 114.511 177.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.45 -20.07 57.41 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 -168.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER 52.01 19.95 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 N-CA-C 115.854 1.798 . . . . 0.0 115.854 -178.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.3 t0 49.99 16.34 0.23 Allowed 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 127.805 2.442 . . . . 0.0 115.434 -160.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . 0.311 0.0 OUTLIER -137.21 11.07 3.03 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 117.073 2.249 . . . . 0.0 117.073 -177.867 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.37 -17.93 60.23 Favored Glycine 0 CA--C 1.538 1.498 0 O-C-N 120.675 -1.266 . . . . 0.0 112.781 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.6 p -71.38 -28.57 64.12 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.636 1.574 . . . . 0.0 113.297 166.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.03 -53.3 10.3 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 125.117 1.367 . . . . 0.0 111.264 176.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 12.5 pt -62.98 -35.76 72.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 CA-C-N 117.849 0.295 . . . . 0.0 110.224 173.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -53.76 -51.18 50.66 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 124.03 0.824 . . . . 0.0 113.863 168.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -60.92 -43.78 98.12 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.453 1.101 . . . . 0.0 111.998 177.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 80.4 mt -58.21 -46.78 88.57 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 C-N-CA 125.38 1.472 . . . . 0.0 111.287 173.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.18 -29.9 74.28 Favored Glycine 0 CA--C 1.542 1.729 0 C-N-CA 124.743 1.163 . . . . 0.0 114.311 175.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -90.68 -23.85 20.62 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.684 1.194 . . . . 0.0 112.921 179.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -64.79 -43.29 93.69 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.73 0.812 . . . . 0.0 111.368 159.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.9 -30.36 65.83 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.107 -0.995 . . . . 0.0 112.097 167.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.04 -4.46 59.17 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 173.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.07 -32.96 71.3 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.941 1.246 . . . . 0.0 111.186 150.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -91.8 8.17 38.4 Favored 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 125.769 1.627 . . . . 0.0 113.16 173.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -47.22 -34.01 5.97 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 127.513 2.325 . . . . 0.0 114.162 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.728 0 C-N-CA 125.179 1.391 . . . . 0.0 113.42 173.406 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.484 1.249 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -142.98 128.67 19.24 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 128.309 2.644 . . . . 0.0 108.529 176.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 30.6 m -54.46 -35.85 63.47 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 120.476 -1.39 . . . . 0.0 110.474 176.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 143.38 -38.1 1.42 Allowed Glycine 0 CA--C 1.543 1.794 0 C-N-CA 128.903 3.144 . . . . 0.0 109.934 -158.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -133.49 -56.97 0.9 Allowed 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 127.684 2.394 . . . . 0.0 112.4 168.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.492 ' CG ' ' H ' ' A' ' 13' ' ' SER . 60.3 t60 -74.91 -152.34 0.03 OUTLIER 'General case' 0 CA--C 1.56 1.328 0 C-N-CA 126.307 1.843 . . . . 0.0 111.067 171.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.492 ' H ' ' CG ' ' A' ' 12' ' ' HIS . 5.9 m -99.1 -11.02 21.81 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 118.867 2.914 . . . . 0.0 118.867 -157.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.1 p -98.7 12.67 34.75 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 119.366 3.098 . . . . 0.0 119.366 -143.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -135.9 125.04 24.46 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 120.133 1.333 . . . . 0.0 112.026 -177.25 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.1 t -69.81 28.22 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 C-N-CA 127.964 2.505 . . . . 0.0 112.947 176.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 55.92 -2.6 0.03 OUTLIER 'General case' 0 CA--C 1.561 1.385 0 C-N-CA 128.865 2.866 . . . . 0.0 115.122 -158.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . 0.326 0.0 OUTLIER -110.59 9.64 23.03 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 127.624 2.37 . . . . 0.0 115.141 177.366 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.73 -19.49 58.43 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 124.968 1.271 . . . . 0.0 113.707 177.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.2 t -62.34 -39.31 92.67 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.274 1.03 . . . . 0.0 111.982 166.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.63 -60.28 2.68 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.835 2.054 . . . . 0.0 111.479 176.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.7 pt -62.93 -36.89 77.65 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.358 0 C-N-CA 119.758 -0.777 . . . . 0.0 112.945 178.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.44 -49.64 76.32 Favored Glycine 0 CA--C 1.539 1.534 0 C-N-CA 124.669 1.128 . . . . 0.0 113.091 176.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -60.14 -47.41 86.04 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.252 1.021 . . . . 0.0 111.23 175.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 60.8 mt -60.08 -45.63 95.41 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 C-N-CA 124.457 1.103 . . . . 0.0 111.778 176.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.42 -36.51 93.48 Favored Glycine 0 N--CA 1.47 0.945 0 O-C-N 121.045 -1.034 . . . . 0.0 114.335 178.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -87.07 -21.43 26.06 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 176.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -59.06 -51.03 71.8 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 121.405 -0.81 . . . . 0.0 109.994 159.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.05 -26.73 60.85 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 171.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.21 10.79 39.05 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 116.772 2.138 . . . . 0.0 116.772 176.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -99.39 -19.53 16.95 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.099 -1.001 . . . . 0.0 113.403 148.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -68.97 -48.84 62.18 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 118.114 -0.946 . . . . 0.0 109.741 160.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 28.47 -66.65 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.203 1 C-N-CA 133.215 4.606 . . . . 0.0 116.998 173.076 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.785 0 C-N-CA 126.267 1.827 . . . . 0.0 113.018 165.92 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 37.6 t . . . . . 0 CA--C 1.534 0.358 0 N-CA-C 114.506 1.298 . . . . 0.0 114.506 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.0 m80 48.98 78.55 0.09 Allowed 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 127.141 2.177 . . . . 0.0 113.599 -178.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.7 t -115.91 169.51 9.18 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -178.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 174.23 -106.77 0.23 Allowed Glycine 0 CA--C 1.539 1.54 0 C-N-CA 125.261 1.41 . . . . 0.0 110.991 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -78.16 -52.3 8.92 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.201 1.001 . . . . 0.0 113.202 -177.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -143.16 2.45 1.31 Allowed 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 115.456 1.65 . . . . 0.0 115.456 -172.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.4 p -85.34 -92.11 0.09 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.751 1.62 . . . . 0.0 113.146 -167.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.4 m 49.53 38.0 13.62 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 126.061 1.744 . . . . 0.0 111.684 -169.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 31.6 m -72.18 -24.17 61.38 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 116.257 1.947 . . . . 0.0 116.257 -165.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.2 t 45.67 -110.81 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 CA-C-N 120.014 1.279 . . . . 0.0 108.947 -154.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -129.73 13.63 5.88 Favored 'General case' 0 CA--C 1.561 1.366 0 C-N-CA 126.458 1.903 . . . . 0.0 112.041 154.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . 0.281 0.0 OUTLIER -138.45 12.82 2.77 Favored 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 116.473 2.027 . . . . 0.0 116.473 -168.486 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.69 -24.46 64.29 Favored Glycine 0 CA--C 1.542 1.739 0 O-C-N 120.898 -1.126 . . . . 0.0 113.224 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.4 p -60.33 -39.44 87.1 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.676 1.99 . . . . 0.0 113.19 165.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.14 -59.22 5.76 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.765 1.626 . . . . 0.0 110.036 173.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -29.98 46.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -175.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.51 -52.25 53.71 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 123.7 0.667 . . . . 0.0 111.977 169.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -58.05 -50.56 73.0 Favored 'General case' 0 C--O 1.242 0.677 0 C-N-CA 123.507 0.723 . . . . 0.0 111.958 175.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 69.8 mt -58.54 -47.33 88.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.754 1.221 . . . . 0.0 111.668 177.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.17 -15.23 58.34 Favored Glycine 0 CA--C 1.538 1.528 0 C-N-CA 126.195 1.855 . . . . 0.0 115.392 175.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -104.11 -24.19 13.21 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 120.97 -1.312 . . . . 0.0 112.943 175.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -61.06 -38.21 85.41 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 120.266 -1.521 . . . . 0.0 111.172 153.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.2 -42.59 91.3 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 120.995 -1.065 . . . . 0.0 111.253 166.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.04 -10.73 59.66 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 117.326 2.343 . . . . 0.0 117.326 173.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.27 -46.14 61.56 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 120.814 1.643 . . . . 0.0 110.248 154.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -68.56 -12.71 61.65 Favored 'General case' 0 CA--C 1.556 1.178 0 O-C-N 119.987 -1.696 . . . . 0.0 114.036 178.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.11 -42.33 65.88 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 126.449 1.899 . . . . 0.0 111.227 171.624 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.315 0 C-N-CA 125.344 1.458 . . . . 0.0 113.975 -158.022 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.5 t . . . . . 0 CA--C 1.54 0.585 0 CA-C-O 121.335 0.588 . . . . 0.0 111.633 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -130.76 72.86 1.51 Allowed 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.955 2.102 . . . . 0.0 111.916 -168.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 59.9 m -84.05 97.54 9.36 Favored 'General case' 0 CA--C 1.557 1.249 0 O-C-N 120.954 -1.091 . . . . 0.0 110.362 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 174.6 -88.68 0.08 OUTLIER Glycine 0 CA--C 1.544 1.865 0 C-N-CA 124.128 0.87 . . . . 0.0 113.982 177.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -68.3 -50.04 56.34 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 124.727 1.211 . . . . 0.0 110.963 168.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -77.18 166.95 22.56 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.942 1.697 . . . . 0.0 110.829 164.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.5 m -102.49 62.12 0.84 Allowed 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.537 1.135 . . . . 0.0 111.156 177.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 72.9 m 65.74 -38.3 0.27 Allowed 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 128.417 2.687 . . . . 0.0 114.879 -176.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 59.9 m 59.17 -81.92 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 126.923 2.089 . . . . 0.0 116.014 171.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.0 t 57.67 -5.7 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 C-N-CA 127.235 2.214 . . . . 0.0 114.441 -166.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.9 t70 59.25 18.2 6.4 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 128.266 2.626 . . . . 0.0 113.1 -164.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -138.66 -11.86 1.34 Allowed 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 115.526 1.676 . . . . 0.0 115.526 -156.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.96 -31.57 81.35 Favored Glycine 0 CA--C 1.539 1.542 0 O-C-N 119.943 -1.723 . . . . 0.0 113.343 175.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.7 p -64.61 -30.3 71.32 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.358 1.463 . . . . 0.0 113.293 169.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.37 -60.78 3.25 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 124.401 1.08 . . . . 0.0 109.099 170.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -33.99 66.05 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.82 0 N-CA-C 113.032 0.752 . . . . 0.0 113.032 -175.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.1 -54.88 32.38 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 124.944 1.259 . . . . 0.0 112.781 170.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -62.69 -51.78 65.88 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.204 1.401 . . . . 0.0 112.559 176.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 76.0 mt -56.7 -42.56 77.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 125.912 1.685 . . . . 0.0 110.623 178.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -53.86 -65.12 3.66 Favored Glycine 0 C--O 1.24 0.518 0 C-N-CA 127.111 2.291 . . . . 0.0 113.288 176.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -72.45 -13.75 61.52 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 176.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -63.5 -55.7 21.92 Favored 'General case' 0 CA--C 1.556 1.201 0 CA-C-N 120.91 1.686 . . . . 0.0 111.137 164.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.56 -48.07 80.34 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.924 0.89 . . . . 0.0 111.714 172.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.35 0.64 7.68 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 117.114 -1.422 . . . . 0.0 113.731 174.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -101.76 -14.29 17.38 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 121.995 2.179 . . . . 0.0 113.73 165.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -59.42 -48.99 79.52 Favored 'General case' 0 CA--C 1.552 1.03 0 CA-C-N 119.496 1.044 . . . . 0.0 109.01 152.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . 0.27 42.3 t90 -63.97 -43.63 95.18 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 115.27 1.581 . . . . 0.0 115.27 172.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.576 0 CA-C-N 120.426 1.466 . . . . 0.0 112.548 179.816 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 41.7 t . . . . . 0 N--CA 1.471 0.592 0 CA-C-O 121.907 0.86 . . . . 0.0 111.9 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -124.55 97.58 5.36 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 127.651 2.38 . . . . 0.0 108.832 168.154 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 90.1 m -82.15 82.59 7.65 Favored 'General case' 0 CA--C 1.547 0.861 0 O-C-N 120.931 -1.106 . . . . 0.0 111.684 174.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.19 74.7 0.83 Allowed Glycine 0 N--CA 1.476 1.335 0 C-N-CA 125.111 1.339 . . . . 0.0 111.699 169.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.4 mttm 66.23 -53.72 0.4 Allowed 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 128.851 2.86 . . . . 0.0 114.848 -173.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -133.52 -18.36 2.2 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 127.178 2.191 . . . . 0.0 115.536 -171.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.9 m -85.65 -34.56 21.32 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -162.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.0 m 42.07 54.6 4.05 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.953 2.101 . . . . 0.0 114.115 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 55.1 m -97.18 125.54 41.76 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.973 1.709 . . . . 0.0 110.462 -174.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 44.4 t -70.24 -57.51 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 CA-C-O 122.944 1.354 . . . . 0.0 109.479 160.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -176.43 -42.41 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.442 1 C-N-CA 132.317 4.247 . . . . 0.0 107.502 179.041 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -79.67 22.46 0.47 Allowed 'General case' 0 CA--C 1.561 1.397 0 C-N-CA 127.929 2.492 . . . . 0.0 116.209 177.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.01 -20.7 60.49 Favored Glycine 0 CA--C 1.539 1.559 0 O-C-N 119.854 -1.779 . . . . 0.0 114.135 -175.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 33.0 m -65.53 -38.11 88.7 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.912 1.285 . . . . 0.0 113.169 165.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.84 -60.15 3.64 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.589 1.156 . . . . 0.0 110.974 175.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 7.8 pt -61.87 -34.3 62.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 177.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.18 -51.86 55.93 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 125.267 1.413 . . . . 0.0 112.327 174.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -59.45 -50.53 73.58 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.3 1.04 . . . . 0.0 113.199 176.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 78.3 mt -58.31 -45.77 89.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 C-N-CA 124.077 0.951 . . . . 0.0 111.109 178.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.98 -46.81 90.91 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 125.767 1.651 . . . . 0.0 112.857 174.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -73.75 -31.19 63.22 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 118.811 1.306 . . . . 0.0 113.153 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -63.01 -43.59 98.34 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.951 0.9 . . . . 0.0 111.96 171.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.76 -47.33 81.42 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.977 -0.452 . . . . 0.0 111.953 169.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.92 -11.27 36.17 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 177.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -101.46 -17.96 16.21 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 120.891 1.678 . . . . 0.0 114.07 169.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -65.45 -1.79 2.79 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-O 115.023 -2.418 . . . . 0.0 112.372 142.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 32.63 -72.56 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.874 1 C-N-CA 132.247 4.219 . . . . 0.0 113.497 147.437 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.781 0 C-N-CA 130.156 3.382 . . . . 0.0 113.472 176.586 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 15.4 m . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.2 m80 51.13 -77.43 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 129.695 3.198 . . . . 0.0 116.554 -171.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 64.38 -47.2 0.3 Allowed 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 128.164 2.585 . . . . 0.0 117.576 -175.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.09 -14.53 59.29 Favored Glycine 0 CA--C 1.543 1.795 0 C-N-CA 126.278 1.894 . . . . 0.0 117.082 -171.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -65.15 -51.48 60.89 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.488 1.515 . . . . 0.0 110.725 173.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -162.29 -53.03 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.659 1.983 . . . . 0.0 112.204 -178.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.1 t -149.42 169.97 19.63 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 128.039 2.536 . . . . 0.0 110.14 174.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 12.1 m -65.94 76.15 0.08 Allowed 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 127.386 2.275 . . . . 0.0 111.345 -176.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 99.3 m -75.34 -11.79 60.13 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.668 1.987 . . . . 0.0 113.043 -171.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . 0.273 4.0 m 58.35 -46.76 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 129.542 3.137 . . . . 0.0 114.542 -164.307 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.1 p30 126.76 -3.37 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.897 1 C-N-CA 134.529 5.131 . . . . 0.0 110.842 -166.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . 0.353 0.0 OUTLIER -96.24 11.93 32.76 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 -170.265 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.65 -18.35 58.94 Favored Glycine 0 CA--C 1.538 1.523 0 O-C-N 120.713 -1.242 . . . . 0.0 112.86 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 34.1 p -71.97 -34.23 68.8 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.257 1.423 . . . . 0.0 114.241 164.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.72 -67.99 0.38 Allowed 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.875 2.07 . . . . 0.0 110.908 175.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 pt -56.33 -40.33 65.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 124.642 1.177 . . . . 0.0 113.505 173.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -46.49 -63.65 2.97 Favored Glycine 0 CA--C 1.54 1.601 0 C-N-CA 124.828 1.204 . . . . 0.0 113.458 168.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -64.75 -36.26 83.73 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 123.97 0.908 . . . . 0.0 113.145 -179.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 81.1 mt -59.55 -50.17 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 124.524 1.13 . . . . 0.0 110.529 173.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -51.59 -50.2 43.37 Favored Glycine 0 C--N 1.342 0.891 0 C-N-CA 125.659 1.6 . . . . 0.0 113.727 172.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -52.29 -57.6 9.24 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 126.828 2.051 . . . . 0.0 112.971 170.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -64.62 -41.41 96.2 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 125.826 1.651 . . . . 0.0 108.516 -169.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.64 -45.88 74.06 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 171.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.11 -9.3 1.93 Allowed 'General case' 0 CA--C 1.547 0.838 0 CA-C-O 118.422 -0.799 . . . . 0.0 113.051 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -111.11 -71.03 0.78 Allowed 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 118.392 2.738 . . . . 0.0 118.392 148.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -66.53 -9.07 31.19 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 126.526 1.931 . . . . 0.0 114.659 -159.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -78.98 -31.18 44.79 Favored 'General case' 0 N--CA 1.449 -0.477 0 O-C-N 121.945 -0.472 . . . . 0.0 111.671 -178.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.451 0 C-N-CA 125.523 1.529 . . . . 0.0 114.621 -162.665 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 46.4 tptt . . . . . 0 N--CA 1.489 1.482 0 CA-C-O 122.458 1.123 . . . . 0.0 111.899 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -74.7 115.4 14.23 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 127.074 2.15 . . . . 0.0 110.124 165.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -95.87 -27.08 15.36 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 177.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.09 177.81 15.05 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 125.672 1.606 . . . . 0.0 113.107 -176.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 48.17 -87.01 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 127.037 2.135 . . . . 0.0 114.69 -169.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -129.9 2.51 5.97 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 125.187 1.375 . . . . 0.0 113.891 173.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 45.4 t -86.53 112.54 22.99 Favored 'Isoleucine or valine' 0 C--O 1.242 0.71 0 CA-C-N 120.067 1.933 . . . . 0.0 111.875 -170.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -126.2 68.11 1.21 Allowed 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 126.272 1.829 . . . . 0.0 111.971 174.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 78.9 m -59.61 138.71 57.64 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.841 1.656 . . . . 0.0 114.222 -174.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -115.3 -68.53 0.45 Allowed Glycine 0 CA--C 1.544 1.874 0 C-N-CA 126.058 1.79 . . . . 0.0 111.098 168.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -143.66 -39.96 0.3 Allowed 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.518 1.127 . . . . 0.0 113.842 175.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -136.95 22.86 3.06 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 126.258 1.823 . . . . 0.0 112.913 178.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.8 p -134.08 11.44 3.91 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.515 1.526 . . . . 0.0 114.676 -149.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 88.7 m -45.51 94.01 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 127.555 2.342 . . . . 0.0 112.281 173.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.1 m -64.58 -52.95 54.94 Favored 'General case' 0 C--N 1.349 0.564 0 N-CA-C 116.256 1.947 . . . . 0.0 116.256 -145.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.6 t 63.79 -70.7 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 CA-C-N 121.389 1.904 . . . . 0.0 112.33 -170.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -173.77 -6.35 0.01 OUTLIER 'General case' 0 CA--C 1.558 1.254 1 C-N-CA 134.079 4.952 . . . . 0.0 110.485 169.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -132.94 16.04 4.23 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 127.804 2.441 . . . . 0.0 116.44 -168.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.53 -18.47 65.74 Favored Glycine 0 N--CA 1.477 1.428 0 O-C-N 119.657 -1.902 . . . . 0.0 113.67 -178.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.6 p -66.03 -36.35 83.01 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.306 1.442 . . . . 0.0 113.129 164.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.59 -62.38 1.62 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.004 1.322 . . . . 0.0 110.763 174.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 11.1 pt -59.59 -35.84 61.7 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 O-C-N 121.338 -0.851 . . . . 0.0 112.248 179.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.28 -45.9 95.26 Favored Glycine 0 CA--C 1.531 1.053 0 C-N-CA 123.48 0.562 . . . . 0.0 113.235 173.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -65.65 -46.93 77.31 Favored 'General case' 0 C--O 1.221 -0.447 0 C-N-CA 124.679 1.192 . . . . 0.0 112.015 178.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 64.1 mt -55.92 -49.6 74.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 125.947 1.699 . . . . 0.0 109.365 176.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.79 -49.07 63.21 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 125.606 1.574 . . . . 0.0 113.396 173.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.77 -22.8 60.78 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.013 1.406 . . . . 0.0 113.887 179.408 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -71.26 -38.38 71.89 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 120.036 -1.665 . . . . 0.0 111.505 171.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.3 -48.92 78.95 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 120.865 -1.147 . . . . 0.0 110.121 164.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.24 -3.59 2.94 Favored 'General case' 0 CA--C 1.556 1.199 0 N-CA-C 116.419 2.007 . . . . 0.0 116.419 171.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -121.92 11.58 10.35 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 168.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.493 ' C ' ' H ' ' A' ' 34' ' ' ALA . 1.5 m-80 -61.03 -48.93 79.49 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 118.216 -1.394 . . . . 0.0 107.648 127.232 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER 65.73 -30.68 0.14 Allowed 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 127.873 2.469 . . . . 0.0 113.947 -176.049 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.493 ' H ' ' C ' ' A' ' 32' ' ' ASN . . . -59.68 -9.65 2.92 Favored 'General case' 0 CA--C 1.563 1.449 0 C-N-CA 127.99 2.516 . . . . 0.0 113.847 137.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . 0.356 98.4 m 80.79 69.67 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 114.803 1.409 . . . . 0.0 114.803 154.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 58.59 13.25 16.53 Favored Glycine 0 CA--C 1.544 1.852 0 O-C-N 120.676 -1.265 . . . . 0.0 114.535 -175.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 99.92 10.67 45.53 Favored Glycine 0 CA--C 1.543 1.789 0 C-N-CA 125.469 1.509 . . . . 0.0 114.013 -169.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -51.06 -48.37 61.59 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.803 1.801 . . . . 0.0 113.728 176.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.28 11.2 19.6 Favored 'General case' 0 CA--C 1.556 1.176 0 C-N-CA 125.135 1.374 . . . . 0.0 112.678 176.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.88 -2.13 81.37 Favored Glycine 0 CA--C 1.549 2.197 0 C-N-CA 125.73 1.633 . . . . 0.0 114.88 -173.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 9.3 t90 41.47 44.75 2.58 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 126.566 1.946 . . . . 0.0 114.461 -174.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -57.2 118.15 4.78 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 126.657 1.983 . . . . 0.0 113.105 -175.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 66.0 mttm . . . . . 0 C--O 1.261 1.709 0 C-N-CA 126.646 1.978 . . . . 0.0 111.075 176.274 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 64.4 tttp . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -81.15 -8.16 59.71 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 115.965 1.839 . . . . 0.0 115.965 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.255 54.8 m-85 100.56 -82.32 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.983 1 C-N-CA 132.027 4.131 . . . . 0.0 113.18 174.247 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.1 172.26 13.44 Favored Glycine 0 CA--C 1.541 1.701 0 C-N-CA 125.664 1.602 . . . . 0.0 115.654 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 59.5 t30 31.7 73.6 0.06 Allowed 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 129.161 2.985 . . . . 0.0 117.321 174.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -107.62 16.39 37.32 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 129.323 3.344 . . . . 0.0 111.702 -9.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 66.1 t -60.76 119.04 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 C-N-CA 128.998 2.919 . . . . 0.0 110.417 -172.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -128.63 81.11 2.01 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.447 0.699 . . . . 0.0 112.233 175.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 98.3 m -71.05 93.96 1.06 Allowed 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 122.97 0.508 . . . . 0.0 110.114 168.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 139.18 -73.14 0.41 Allowed Glycine 0 C--N 1.335 0.501 0 C-N-CA 125.55 1.548 . . . . 0.0 111.81 -178.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -60.78 -32.98 72.29 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.242 1.417 . . . . 0.0 113.9 179.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 -143.16 37.43 1.39 Allowed 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 126.026 1.73 . . . . 0.0 112.7 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.8 m 40.81 47.28 2.48 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 127.231 2.212 . . . . 0.0 116.393 173.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.4 m 71.4 74.38 0.18 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 128.486 2.715 . . . . 0.0 112.675 178.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.13 173.4 0.47 Allowed 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 126.159 1.784 . . . . 0.0 112.251 160.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.5 m -105.24 -175.91 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.957 0 C-N-CA 127.242 2.217 . . . . 0.0 112.332 169.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -54.27 -24.19 17.88 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.762 2.025 . . . . 0.0 114.105 164.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . 0.27 0.0 OUTLIER -76.44 11.75 1.48 Allowed 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 117.89 2.552 . . . . 0.0 117.89 -165.482 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.98 -15.1 57.77 Favored Glycine 0 CA--C 1.538 1.48 0 O-C-N 120.785 -1.197 . . . . 0.0 113.156 177.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.8 p -64.89 -43.24 93.53 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.689 1.596 . . . . 0.0 113.651 163.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.65 -64.63 0.89 Allowed 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 126.035 1.734 . . . . 0.0 110.874 178.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.4 pt -58.9 -37.82 69.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 177.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -50.0 -62.52 4.91 Favored Glycine 0 N--CA 1.475 1.258 0 C-N-CA 126.067 1.794 . . . . 0.0 112.73 171.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -61.49 -48.9 79.01 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.208 1.003 . . . . 0.0 112.896 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 70.4 mt -54.09 -52.6 35.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 125.39 1.476 . . . . 0.0 111.17 175.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.03 -23.66 69.72 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 115.886 1.115 . . . . 0.0 115.886 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.9 m-80 -99.65 -19.63 16.71 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-N 119.364 1.582 . . . . 0.0 113.373 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -66.77 -43.68 83.36 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 119.744 1.156 . . . . 0.0 111.056 155.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.79 -36.79 70.27 Favored 'General case' 0 C--N 1.341 0.239 0 O-C-N 121.411 -0.806 . . . . 0.0 110.975 170.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.53 -9.18 58.57 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 116.432 2.012 . . . . 0.0 116.432 176.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.11 -25.29 64.33 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 120.508 -1.37 . . . . 0.0 111.709 153.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -101.05 6.33 43.34 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 127.139 2.176 . . . . 0.0 113.536 174.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -46.23 -42.25 14.0 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 127.589 2.356 . . . . 0.0 113.032 178.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.49 -4.49 58.99 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.57 1.548 . . . . 0.0 113.792 -178.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.5 m -124.62 -79.15 0.61 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.134 0.573 . . . . 0.0 111.112 -179.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -67.78 -42.03 87.58 Favored Glycine 0 CA--C 1.535 1.287 0 C-N-CA 124.174 0.892 . . . . 0.0 112.711 175.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.09 -27.24 71.13 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 121.064 -1.256 . . . . 0.0 114.058 172.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -77.7 -29.39 51.29 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.682 1.193 . . . . 0.0 111.6 173.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.28 -29.42 17.17 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.147 1.379 . . . . 0.0 114.152 -176.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 162.42 0.7 0.06 OUTLIER Glycine 0 CA--C 1.546 1.996 0 N-CA-C 118.424 2.13 . . . . 0.0 118.424 178.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -74.61 69.62 1.75 Allowed 'General case' 0 CA--C 1.558 1.275 0 CA-C-N 120.418 2.109 . . . . 0.0 111.278 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -74.66 165.14 25.72 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 125.263 1.425 . . . . 0.0 112.371 177.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp . . . . . 0 C--O 1.25 1.083 0 C-N-CA 127.264 2.226 . . . . 0.0 113.319 172.739 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 53.4 tptt . . . . . 0 N--CA 1.489 1.525 0 CA-C-O 121.622 0.725 . . . . 0.0 111.392 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -72.0 144.86 48.67 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 120.739 -1.226 . . . . 0.0 109.801 163.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -121.99 -28.79 4.37 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 177.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.98 -174.31 31.76 Favored Glycine 0 N--CA 1.472 1.086 0 O-C-N 121.172 -0.955 . . . . 0.0 113.607 -173.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 26.28 -91.45 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 128.945 2.898 . . . . 0.0 114.39 171.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -119.87 -1.11 13.27 Favored Glycine 0 CA--C 1.54 1.631 0 C-N-CA 125.112 1.339 . . . . 0.0 114.974 177.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.6 p -91.6 104.37 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 128.686 2.794 . . . . 0.0 111.609 -173.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -129.75 53.75 1.89 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 128.093 2.557 . . . . 0.0 110.922 -166.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.7 t -56.99 110.68 0.86 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 127.356 2.262 . . . . 0.0 113.373 -167.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.72 -24.2 0.23 Allowed Glycine 0 CA--C 1.533 1.163 0 C-N-CA 124.652 1.12 . . . . 0.0 115.787 178.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -61.11 -59.85 4.7 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.926 1.291 . . . . 0.0 111.706 176.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -136.7 -54.43 0.72 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 127.05 2.14 . . . . 0.0 110.769 171.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.4 m -138.24 179.68 6.31 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 127.739 2.416 . . . . 0.0 111.125 178.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 86.8 m -67.76 100.96 0.98 Allowed 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.773 0.829 . . . . 0.0 111.243 174.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.2 m -50.74 -36.41 36.33 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 126.961 2.104 . . . . 0.0 115.009 -159.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.504 ' HA ' ' H ' ' A' ' 18' ' ' TRP 0.367 2.8 p -140.72 73.67 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-O 122.8 1.286 . . . . 0.0 113.917 154.64 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -84.85 14.47 4.78 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 114.372 -1.286 . . . . 0.0 111.429 129.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.504 ' H ' ' HA ' ' A' ' 16' ' ' VAL 0.275 0.0 OUTLIER -75.82 17.65 0.3 Allowed 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 127.894 2.477 . . . . 0.0 115.548 -148.772 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.39 -14.62 60.09 Favored Glycine 0 CA--C 1.553 2.431 0 O-C-N 119.404 -2.06 . . . . 0.0 112.893 -177.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.9 p -65.23 -40.78 94.55 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 126.267 1.827 . . . . 0.0 112.965 161.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.53 -62.2 1.66 Allowed 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 126.667 1.987 . . . . 0.0 111.391 178.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.5 pt -60.81 -41.42 88.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 O-C-N 121.37 -0.831 . . . . 0.0 112.014 177.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -51.06 -56.01 16.24 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 126.7 2.095 . . . . 0.0 113.025 171.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -58.06 -49.87 75.39 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.993 1.317 . . . . 0.0 113.152 175.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 78.0 mt -55.28 -48.63 76.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 O-C-N 121.482 -0.761 . . . . 0.0 110.194 176.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.13 -15.7 65.65 Favored Glycine 0 CA--C 1.534 1.252 0 N-CA-C 115.821 1.088 . . . . 0.0 115.821 177.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -110.82 -17.41 13.35 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 119.97 1.885 . . . . 0.0 114.115 -178.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -55.7 -49.02 74.12 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.523 -0.736 . . . . 0.0 110.04 145.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.86 -32.79 72.21 Favored 'General case' 0 CA--C 1.549 0.91 0 O-C-N 121.205 -0.934 . . . . 0.0 112.642 171.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.415 ' HA ' ' CD2' ' A' ' 33' ' ' TRP . . . -75.68 -9.89 58.97 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 119.333 -2.104 . . . . 0.0 115.562 171.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.95 -43.48 78.98 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 120.727 1.603 . . . . 0.0 110.44 152.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -68.12 -20.21 64.89 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 177.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.415 ' CD2' ' HA ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -43.28 -50.47 6.57 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 126.447 1.899 . . . . 0.0 111.317 170.928 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -146.25 -16.57 0.44 Allowed 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.841 1.656 . . . . 0.0 115.088 -154.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 27.2 m -108.51 -44.65 4.03 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.472 1.109 . . . . 0.0 112.247 174.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -80.41 -60.99 2.26 Favored Glycine 0 N--CA 1.47 0.929 0 C-N-CA 123.501 0.572 . . . . 0.0 114.251 177.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.7 -33.6 73.36 Favored Glycine 0 CA--C 1.538 1.524 0 C-N-CA 124.95 1.262 . . . . 0.0 113.942 178.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -59.59 -31.53 69.55 Favored 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 113.585 0.958 . . . . 0.0 113.585 176.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.39 -1.77 28.58 Favored 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 124.996 1.318 . . . . 0.0 114.013 174.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.46 60.81 3.36 Favored Glycine 0 C--N 1.346 1.088 0 O-C-N 121.309 -0.869 . . . . 0.0 112.758 -170.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 51.0 t-105 -58.82 154.9 14.01 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 124.524 1.13 . . . . 0.0 114.048 -174.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -148.15 167.86 23.94 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.156 1.382 . . . . 0.0 113.91 -173.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt . . . . . 0 C--O 1.252 1.235 0 C-N-CA 126.553 1.941 . . . . 0.0 111.979 167.501 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 97.1 mttt . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 120.545 0.212 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.03 -95.54 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.728 2.011 . . . . 0.0 110.297 160.55 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.16 147.8 51.46 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 128.632 2.773 . . . . 0.0 112.151 -168.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.38 -85.96 0.33 Allowed Glycine 0 CA--C 1.541 1.711 0 C-N-CA 128.734 3.064 . . . . 0.0 110.3 4.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -136.85 -54.38 0.72 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 127.467 2.307 . . . . 0.0 109.823 154.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -166.42 20.56 0.1 Allowed Glycine 0 CA--C 1.535 1.308 0 C-N-CA 125.555 1.55 . . . . 0.0 114.594 169.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.271 11.3 t -53.02 -95.85 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.562 1.436 0 C-N-CA 127.667 2.387 . . . . 0.0 116.827 -146.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . 0.284 70.7 m80 106.6 23.99 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.654 0 C-N-CA 130.23 3.412 . . . . 0.0 115.573 -179.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 67.0 m -58.49 137.53 57.31 Favored 'General case' 0 CA--C 1.552 1.024 0 O-C-N 120.475 -1.391 . . . . 0.0 111.383 174.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.98 -53.78 2.59 Favored Glycine 0 N--CA 1.48 1.61 0 C-N-CA 124.734 1.159 . . . . 0.0 113.599 -168.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -62.89 -54.97 30.4 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.703 1.201 . . . . 0.0 111.448 -175.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 63.1 t-80 -153.75 67.73 0.76 Allowed 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 127.081 2.152 . . . . 0.0 110.967 174.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.0 m 43.27 41.01 2.78 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 127.453 2.301 . . . . 0.0 116.829 170.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.4 m 56.16 32.0 19.34 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 125.359 1.464 . . . . 0.0 112.264 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 94.3 m -64.16 97.41 0.18 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.684 1.194 . . . . 0.0 113.591 172.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.3 t -56.33 -23.41 16.36 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.829 0 C-N-CA 127.843 2.457 . . . . 0.0 113.467 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.1 t70 120.97 -25.89 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.429 1 C-N-CA 134.031 4.932 . . . . 0.0 110.915 -173.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.9 22.1 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 129.65 3.18 . . . . 0.0 117.151 173.171 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.21 -20.84 55.48 Favored Glycine 0 CA--C 1.546 1.977 0 O-C-N 121.106 -0.997 . . . . 0.0 113.799 178.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.4 p -69.19 -36.02 76.87 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 127.395 2.278 . . . . 0.0 113.229 168.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.79 -56.58 20.31 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.996 1.318 . . . . 0.0 109.468 170.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.42 -30.69 50.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 O-C-N 121.278 -0.889 . . . . 0.0 111.863 179.155 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.22 -46.62 93.53 Favored Glycine 0 CA--C 1.534 1.268 0 C-N-CA 123.897 0.76 . . . . 0.0 113.688 168.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -63.56 -42.24 98.37 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.113 0.965 . . . . 0.0 112.598 175.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 93.5 mt -62.05 -41.56 91.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 124.178 0.991 . . . . 0.0 110.838 173.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.46 -51.65 55.0 Favored Glycine 0 N--CA 1.476 1.366 0 C-N-CA 126.036 1.779 . . . . 0.0 112.843 171.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -58.44 -41.7 85.69 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 118.269 1.035 . . . . 0.0 113.478 173.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -58.34 -45.77 87.52 Favored 'General case' 0 CA--C 1.554 1.119 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 176.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.54 -56.41 20.35 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 122.747 0.419 . . . . 0.0 110.979 170.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.3 -9.22 0.63 Allowed 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 125.507 1.523 . . . . 0.0 115.023 179.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -122.07 -3.72 9.05 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 117.073 2.249 . . . . 0.0 117.073 172.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -62.43 -7.76 5.02 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 120.542 -1.349 . . . . 0.0 111.172 132.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER 58.25 27.18 14.83 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.894 2.078 . . . . 0.0 110.411 -172.496 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 49.64 30.76 3.79 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 129.024 2.93 . . . . 0.0 113.514 -167.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.9 m -132.08 -52.71 0.97 Allowed 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.215 1.006 . . . . 0.0 112.332 -167.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.69 -14.08 41.87 Favored Glycine 0 CA--C 1.543 1.787 0 N-CA-C 116.822 1.489 . . . . 0.0 116.822 -178.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -128.49 7.66 6.61 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 125.603 1.573 . . . . 0.0 114.858 175.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -57.53 -44.15 84.88 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.546 1.538 . . . . 0.0 113.275 -166.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -94.8 -3.12 49.59 Favored 'General case' 0 C--O 1.244 0.796 0 N-CA-C 115.379 1.622 . . . . 0.0 115.379 -175.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -151.8 -2.95 0.2 Allowed Glycine 0 CA--C 1.539 1.554 0 N-CA-C 116.902 1.521 . . . . 0.0 116.902 -169.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 13.7 t-105 -125.72 5.52 7.44 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 119.291 1.545 . . . . 0.0 113.666 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -69.68 101.98 1.78 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.513 1.525 . . . . 0.0 111.772 176.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 55.0 tptt . . . . . 0 C--O 1.254 1.328 0 C-N-CA 125.616 1.566 . . . . 0.0 112.685 179.571 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 83.5 tttt . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 120.615 0.245 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -83.24 -123.98 0.02 OUTLIER 'General case' 0 CA--C 1.563 1.445 0 C-N-CA 126.596 1.958 . . . . 0.0 110.271 168.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER 47.72 -16.51 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.786 1 C-N-CA 133.499 4.719 . . . . 0.0 118.166 -163.694 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -36.49 91.8 0.01 OUTLIER Glycine 0 N--CA 1.482 1.739 0 C-N-CA 128.718 3.056 . . . . 0.0 115.383 179.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 51.9 t30 38.14 68.07 0.35 Allowed 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 127.246 2.218 . . . . 0.0 114.301 -170.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 176.58 -40.08 0.1 Allowed Glycine 0 N--CA 1.473 1.15 0 N-CA-C 114.95 0.74 . . . . 0.0 114.95 -176.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.346 0.8 OUTLIER 58.84 167.6 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.559 1.303 0 C-N-CA 127.797 2.439 . . . . 0.0 113.838 165.846 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -83.82 25.53 0.79 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 118.777 -2.452 . . . . 0.0 115.085 -175.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 97.6 m -48.85 124.62 8.85 Favored 'General case' 0 CA--C 1.548 0.901 0 O-C-N 121.215 -0.928 . . . . 0.0 111.153 170.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.16 -39.98 1.67 Allowed Glycine 0 CA--C 1.545 1.918 0 C-N-CA 124.95 1.262 . . . . 0.0 114.63 -175.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.37 -39.98 96.01 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 125.417 1.487 . . . . 0.0 113.524 173.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -151.94 -71.38 0.16 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 126.231 1.812 . . . . 0.0 111.18 171.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.7 t -156.61 159.59 38.62 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.194 1.798 . . . . 0.0 111.032 174.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 84.4 m -74.81 36.67 0.11 Allowed 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.255 1.422 . . . . 0.0 114.511 177.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.45 -20.07 57.41 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 -168.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER 52.01 19.95 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 N-CA-C 115.854 1.798 . . . . 0.0 115.854 -178.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.3 t0 49.99 16.34 0.23 Allowed 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 127.805 2.442 . . . . 0.0 115.434 -160.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . 0.311 0.0 OUTLIER -137.21 11.07 3.03 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 117.073 2.249 . . . . 0.0 117.073 -177.867 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.37 -17.93 60.23 Favored Glycine 0 CA--C 1.538 1.498 0 O-C-N 120.675 -1.266 . . . . 0.0 112.781 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.6 p -71.38 -28.57 64.12 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.636 1.574 . . . . 0.0 113.297 166.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.03 -53.3 10.3 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 125.117 1.367 . . . . 0.0 111.264 176.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 12.5 pt -62.98 -35.76 72.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 CA-C-N 117.849 0.295 . . . . 0.0 110.224 173.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -53.76 -51.18 50.66 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 124.03 0.824 . . . . 0.0 113.863 168.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -60.92 -43.78 98.12 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.453 1.101 . . . . 0.0 111.998 177.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 80.4 mt -58.21 -46.78 88.57 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 C-N-CA 125.38 1.472 . . . . 0.0 111.287 173.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.18 -29.9 74.28 Favored Glycine 0 CA--C 1.542 1.729 0 C-N-CA 124.743 1.163 . . . . 0.0 114.311 175.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -90.68 -23.85 20.62 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.684 1.194 . . . . 0.0 112.921 179.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -64.79 -43.29 93.69 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.73 0.812 . . . . 0.0 111.368 159.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.9 -30.36 65.83 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.107 -0.995 . . . . 0.0 112.097 167.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.04 -4.46 59.17 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 173.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.07 -32.96 71.3 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.941 1.246 . . . . 0.0 111.186 150.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -91.8 8.17 38.4 Favored 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 125.769 1.627 . . . . 0.0 113.16 173.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -47.22 -34.01 5.97 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 127.513 2.325 . . . . 0.0 114.162 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.88 -26.53 36.29 Favored 'General case' 0 C--O 1.243 0.728 0 C-N-CA 125.179 1.391 . . . . 0.0 113.42 173.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.6 p -116.28 -45.96 2.81 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 126.331 1.852 . . . . 0.0 111.613 -163.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 59.97 26.75 63.63 Favored Glycine 0 CA--C 1.539 1.583 0 O-C-N 121.303 -0.873 . . . . 0.0 112.032 -162.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.32 6.35 71.22 Favored Glycine 0 CA--C 1.543 1.804 0 C-N-CA 127.838 2.637 . . . . 0.0 113.811 -166.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 54.81 -77.93 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 130.971 3.708 . . . . 0.0 112.99 -174.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -139.3 3.2 2.13 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 126.932 2.093 . . . . 0.0 114.796 178.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 145.5 29.14 0.09 OUTLIER Glycine 0 N--CA 1.477 1.416 0 CA-C-O 118.845 -0.975 . . . . 0.0 115.279 -175.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 68.9 t-105 -59.96 97.48 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 126.021 1.728 . . . . 0.0 113.308 178.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -146.39 166.01 27.63 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 125.938 1.695 . . . . 0.0 111.346 -177.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 81.0 tttt . . . . . 0 C--O 1.251 1.177 0 C-N-CA 128.857 2.863 . . . . 0.0 114.515 176.777 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.351 0.12 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -67.61 100.14 0.85 Allowed 'General case' 0 CA--C 1.547 0.857 0 O-C-N 120.4 -1.437 . . . . 0.0 108.341 170.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -65.76 -15.92 63.3 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.787 1.235 . . . . 0.0 114.134 -174.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.75 -16.3 4.28 Favored Glycine 0 CA--C 1.535 1.338 0 N-CA-C 117.334 1.693 . . . . 0.0 117.334 162.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -82.66 -56.94 3.56 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 119.138 1.469 . . . . 0.0 113.61 -176.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 173.03 36.83 0.03 OUTLIER Glycine 0 N--CA 1.47 0.947 0 C-N-CA 126.632 2.063 . . . . 0.0 111.849 -171.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -117.64 102.5 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -150.53 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -142.98 128.67 19.24 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 128.309 2.644 . . . . 0.0 108.529 176.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 30.6 m -54.46 -35.85 63.47 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 120.476 -1.39 . . . . 0.0 110.474 176.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 143.38 -38.1 1.42 Allowed Glycine 0 CA--C 1.543 1.794 0 C-N-CA 128.903 3.144 . . . . 0.0 109.934 -158.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -133.49 -56.97 0.9 Allowed 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 127.684 2.394 . . . . 0.0 112.4 168.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.492 ' CG ' ' H ' ' A' ' 13' ' ' SER . 60.3 t60 -74.91 -152.34 0.03 OUTLIER 'General case' 0 CA--C 1.56 1.328 0 C-N-CA 126.307 1.843 . . . . 0.0 111.067 171.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.492 ' H ' ' CG ' ' A' ' 12' ' ' HIS . 5.9 m -99.1 -11.02 21.81 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 118.867 2.914 . . . . 0.0 118.867 -157.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.1 p -98.7 12.67 34.75 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 119.366 3.098 . . . . 0.0 119.366 -143.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -135.9 125.04 24.46 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 120.133 1.333 . . . . 0.0 112.026 -177.25 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.1 t -69.81 28.22 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 C-N-CA 127.964 2.505 . . . . 0.0 112.947 176.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 55.92 -2.6 0.03 OUTLIER 'General case' 0 CA--C 1.561 1.385 0 C-N-CA 128.865 2.866 . . . . 0.0 115.122 -158.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . 0.326 0.0 OUTLIER -110.59 9.64 23.03 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 127.624 2.37 . . . . 0.0 115.141 177.366 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.73 -19.49 58.43 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 124.968 1.271 . . . . 0.0 113.707 177.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.2 t -62.34 -39.31 92.67 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.274 1.03 . . . . 0.0 111.982 166.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.63 -60.28 2.68 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.835 2.054 . . . . 0.0 111.479 176.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.7 pt -62.93 -36.89 77.65 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.358 0 C-N-CA 119.758 -0.777 . . . . 0.0 112.945 178.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.44 -49.64 76.32 Favored Glycine 0 CA--C 1.539 1.534 0 C-N-CA 124.669 1.128 . . . . 0.0 113.091 176.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -60.14 -47.41 86.04 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.252 1.021 . . . . 0.0 111.23 175.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 60.8 mt -60.08 -45.63 95.41 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 C-N-CA 124.457 1.103 . . . . 0.0 111.778 176.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.42 -36.51 93.48 Favored Glycine 0 N--CA 1.47 0.945 0 O-C-N 121.045 -1.034 . . . . 0.0 114.335 178.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -87.07 -21.43 26.06 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 176.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -59.06 -51.03 71.8 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 121.405 -0.81 . . . . 0.0 109.994 159.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.05 -26.73 60.85 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 171.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.21 10.79 39.05 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 116.772 2.138 . . . . 0.0 116.772 176.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -99.39 -19.53 16.95 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.099 -1.001 . . . . 0.0 113.403 148.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -68.97 -48.84 62.18 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 118.114 -0.946 . . . . 0.0 109.741 160.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 28.47 -66.65 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.203 1 C-N-CA 133.215 4.606 . . . . 0.0 116.998 173.076 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -51.02 -26.98 6.85 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.267 1.827 . . . . 0.0 113.018 165.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.5 m -148.84 44.61 1.0 Allowed 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 129.001 2.92 . . . . 0.0 108.152 -176.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.51 73.78 0.01 OUTLIER Glycine 0 CA--C 1.536 1.394 0 C-N-CA 127.825 2.631 . . . . 0.0 113.46 179.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.55 17.8 27.88 Favored Glycine 0 CA--C 1.538 1.479 0 CA-C-N 118.055 0.927 . . . . 0.0 113.527 -155.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 32.9 t30 44.72 -40.03 0.0 OUTLIER 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 130.559 3.543 . . . . 0.0 115.173 -146.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -143.78 92.06 2.3 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 127.012 2.125 . . . . 0.0 110.951 169.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.4 18.03 14.12 Favored Glycine 0 CA--C 1.538 1.472 0 N-CA-C 117.25 1.66 . . . . 0.0 117.25 165.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 9.7 t90 61.29 22.65 12.99 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 127.434 2.293 . . . . 0.0 114.495 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -68.53 82.17 0.27 Allowed 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 124.903 1.281 . . . . 0.0 112.592 172.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 96.3 mttt . . . . . 0 C--O 1.254 1.342 0 C-N-CA 127.519 2.328 . . . . 0.0 111.368 174.677 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm . . . . . 0 N--CA 1.489 1.489 0 CA-C-O 119.561 -0.257 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -89.34 108.68 19.77 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 120.497 -1.377 . . . . 0.0 110.408 168.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -64.29 -5.43 5.08 Favored 'General case' 0 CA--C 1.56 1.355 0 C-N-CA 126.18 1.792 . . . . 0.0 115.243 -172.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.58 -21.64 43.16 Favored Glycine 0 CA--C 1.544 1.861 0 O-C-N 120.792 -1.193 . . . . 0.0 115.452 169.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -94.27 -36.84 11.81 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.642 1.977 . . . . 0.0 115.644 176.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -162.6 169.21 37.8 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 129.762 3.553 . . . . 0.0 114.106 -7.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 37.6 t -103.56 -14.49 8.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 N-CA-C 114.506 1.298 . . . . 0.0 114.506 -152.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.0 m80 48.98 78.55 0.09 Allowed 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 127.141 2.177 . . . . 0.0 113.599 -178.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.7 t -115.91 169.51 9.18 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -178.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 174.23 -106.77 0.23 Allowed Glycine 0 CA--C 1.539 1.54 0 C-N-CA 125.261 1.41 . . . . 0.0 110.991 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -78.16 -52.3 8.92 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.201 1.001 . . . . 0.0 113.202 -177.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -143.16 2.45 1.31 Allowed 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 115.456 1.65 . . . . 0.0 115.456 -172.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.4 p -85.34 -92.11 0.09 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.751 1.62 . . . . 0.0 113.146 -167.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.4 m 49.53 38.0 13.62 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 126.061 1.744 . . . . 0.0 111.684 -169.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 31.6 m -72.18 -24.17 61.38 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 116.257 1.947 . . . . 0.0 116.257 -165.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.2 t 45.67 -110.81 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 CA-C-N 120.014 1.279 . . . . 0.0 108.947 -154.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -129.73 13.63 5.88 Favored 'General case' 0 CA--C 1.561 1.366 0 C-N-CA 126.458 1.903 . . . . 0.0 112.041 154.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . 0.281 0.0 OUTLIER -138.45 12.82 2.77 Favored 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 116.473 2.027 . . . . 0.0 116.473 -168.486 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.69 -24.46 64.29 Favored Glycine 0 CA--C 1.542 1.739 0 O-C-N 120.898 -1.126 . . . . 0.0 113.224 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.4 p -60.33 -39.44 87.1 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.676 1.99 . . . . 0.0 113.19 165.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.14 -59.22 5.76 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.765 1.626 . . . . 0.0 110.036 173.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -29.98 46.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -175.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.51 -52.25 53.71 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 123.7 0.667 . . . . 0.0 111.977 169.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -58.05 -50.56 73.0 Favored 'General case' 0 C--O 1.242 0.677 0 C-N-CA 123.507 0.723 . . . . 0.0 111.958 175.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 69.8 mt -58.54 -47.33 88.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.754 1.221 . . . . 0.0 111.668 177.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.17 -15.23 58.34 Favored Glycine 0 CA--C 1.538 1.528 0 C-N-CA 126.195 1.855 . . . . 0.0 115.392 175.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -104.11 -24.19 13.21 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 120.97 -1.312 . . . . 0.0 112.943 175.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -61.06 -38.21 85.41 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 120.266 -1.521 . . . . 0.0 111.172 153.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.2 -42.59 91.3 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 120.995 -1.065 . . . . 0.0 111.253 166.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.04 -10.73 59.66 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 117.326 2.343 . . . . 0.0 117.326 173.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.27 -46.14 61.56 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 120.814 1.643 . . . . 0.0 110.248 154.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -68.56 -12.71 61.65 Favored 'General case' 0 CA--C 1.556 1.178 0 O-C-N 119.987 -1.696 . . . . 0.0 114.036 178.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.11 -42.33 65.88 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 126.449 1.899 . . . . 0.0 111.227 171.624 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -146.04 -24.28 0.45 Allowed 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 125.344 1.458 . . . . 0.0 113.975 -158.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.2 m -126.98 -29.37 2.81 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.409 1.084 . . . . 0.0 113.858 -166.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.13 -57.26 16.23 Favored Glycine 0 N--CA 1.477 1.417 0 C-N-CA 125.641 1.591 . . . . 0.0 113.986 -172.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.95 -18.5 16.43 Favored Glycine 0 N--CA 1.48 1.569 1 C-N-CA 131.014 4.149 . . . . 0.0 114.354 -7.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -62.89 -38.63 91.66 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 124.154 0.982 . . . . 0.0 112.399 177.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.14 -11.82 61.16 Favored 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 125.353 1.461 . . . . 0.0 114.819 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 139.94 56.46 0.04 OUTLIER Glycine 0 CA--C 1.535 1.325 0 C-N-CA 124.304 0.954 . . . . 0.0 114.605 -175.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 57.76 20.46 6.49 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 127.366 2.266 . . . . 0.0 116.649 164.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -126.63 167.48 15.63 Favored 'General case' 0 C--O 1.246 0.883 0 C-N-CA 124.661 1.184 . . . . 0.0 112.759 -177.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt . . . . . 0 C--O 1.257 1.491 0 C-N-CA 127.007 2.123 . . . . 0.0 112.335 -172.056 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 82.7 tttt . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.04 0.447 . . . . 0.0 111.509 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -75.27 107.23 7.23 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 126.027 1.731 . . . . 0.0 108.567 158.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -85.21 -23.99 28.06 Favored 'General case' 0 CA--C 1.555 1.168 0 N-CA-C 113.885 1.068 . . . . 0.0 113.885 -173.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.68 178.46 15.67 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 125.691 1.615 . . . . 0.0 112.394 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 40.74 -92.64 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 128.268 2.627 . . . . 0.0 114.183 -175.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -118.7 -3.07 14.3 Favored Glycine 0 N--CA 1.48 1.596 0 C-N-CA 125.654 1.597 . . . . 0.0 114.825 175.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.5 t -79.46 100.76 4.25 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 C-N-CA 127.398 2.279 . . . . 0.0 111.633 -177.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -130.76 72.86 1.51 Allowed 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.955 2.102 . . . . 0.0 111.916 -168.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 59.9 m -84.05 97.54 9.36 Favored 'General case' 0 CA--C 1.557 1.249 0 O-C-N 120.954 -1.091 . . . . 0.0 110.362 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 174.6 -88.68 0.08 OUTLIER Glycine 0 CA--C 1.544 1.865 0 C-N-CA 124.128 0.87 . . . . 0.0 113.982 177.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -68.3 -50.04 56.34 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 124.727 1.211 . . . . 0.0 110.963 168.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -77.18 166.95 22.56 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.942 1.697 . . . . 0.0 110.829 164.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.5 m -102.49 62.12 0.84 Allowed 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.537 1.135 . . . . 0.0 111.156 177.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 72.9 m 65.74 -38.3 0.27 Allowed 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 128.417 2.687 . . . . 0.0 114.879 -176.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 59.9 m 59.17 -81.92 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 126.923 2.089 . . . . 0.0 116.014 171.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.0 t 57.67 -5.7 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 C-N-CA 127.235 2.214 . . . . 0.0 114.441 -166.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.9 t70 59.25 18.2 6.4 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 128.266 2.626 . . . . 0.0 113.1 -164.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -138.66 -11.86 1.34 Allowed 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 115.526 1.676 . . . . 0.0 115.526 -156.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.96 -31.57 81.35 Favored Glycine 0 CA--C 1.539 1.542 0 O-C-N 119.943 -1.723 . . . . 0.0 113.343 175.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.7 p -64.61 -30.3 71.32 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.358 1.463 . . . . 0.0 113.293 169.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.37 -60.78 3.25 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 124.401 1.08 . . . . 0.0 109.099 170.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -33.99 66.05 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.82 0 N-CA-C 113.032 0.752 . . . . 0.0 113.032 -175.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.1 -54.88 32.38 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 124.944 1.259 . . . . 0.0 112.781 170.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -62.69 -51.78 65.88 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.204 1.401 . . . . 0.0 112.559 176.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 76.0 mt -56.7 -42.56 77.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 125.912 1.685 . . . . 0.0 110.623 178.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -53.86 -65.12 3.66 Favored Glycine 0 C--O 1.24 0.518 0 C-N-CA 127.111 2.291 . . . . 0.0 113.288 176.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -72.45 -13.75 61.52 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 176.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -63.5 -55.7 21.92 Favored 'General case' 0 CA--C 1.556 1.201 0 CA-C-N 120.91 1.686 . . . . 0.0 111.137 164.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.56 -48.07 80.34 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.924 0.89 . . . . 0.0 111.714 172.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.35 0.64 7.68 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 117.114 -1.422 . . . . 0.0 113.731 174.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -101.76 -14.29 17.38 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 121.995 2.179 . . . . 0.0 113.73 165.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -59.42 -48.99 79.52 Favored 'General case' 0 CA--C 1.552 1.03 0 CA-C-N 119.496 1.044 . . . . 0.0 109.01 152.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . 0.27 42.3 t90 -63.97 -43.63 95.18 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 115.27 1.581 . . . . 0.0 115.27 172.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.75 -31.57 65.03 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 120.426 1.466 . . . . 0.0 112.548 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 34.9 m -138.24 -71.28 0.42 Allowed 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 118.387 -0.816 . . . . 0.0 112.788 -164.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -62.73 -28.57 71.85 Favored Glycine 0 N--CA 1.483 1.806 0 CA-C-N 119.419 1.009 . . . . 0.0 115.55 -162.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.28 18.44 3.71 Favored Glycine 0 CA--C 1.54 1.642 0 C-N-CA 127.094 2.283 . . . . 0.0 114.157 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -48.47 -44.88 36.04 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.364 1.465 . . . . 0.0 113.227 -170.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -114.58 4.59 15.2 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.896 1.072 . . . . 0.0 113.896 177.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -129.5 -15.39 2.0 Favored Glycine 0 CA--C 1.541 1.699 0 N-CA-C 115.709 1.044 . . . . 0.0 115.709 -168.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 45.4 m0 -122.1 162.89 20.43 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.233 1.413 . . . . 0.0 111.283 175.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . 0.301 18.4 p30 48.81 19.62 0.27 Allowed 'General case' 0 N--CA 1.484 1.243 0 N-CA-C 118.245 2.683 . . . . 0.0 118.245 179.134 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? . . . . . 0 C--O 1.26 1.656 0 C-N-CA 128.509 2.724 . . . . 0.0 112.882 173.528 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 64.3 mttm . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.772 0.32 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -71.1 145.25 49.96 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.288 1.035 . . . . 0.0 109.692 156.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -131.24 151.43 51.49 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.314 1.046 . . . . 0.0 113.273 -173.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.9 -18.09 66.07 Favored Glycine 0 N--CA 1.472 1.094 0 N-CA-C 116.857 1.503 . . . . 0.0 116.857 -169.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 49.1 p-10 -75.02 -9.13 58.24 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.418 1.487 . . . . 0.0 113.585 169.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 106.21 -3.49 37.82 Favored Glycine 0 C--N 1.347 1.147 0 C-N-CA 126.601 2.048 . . . . 0.0 115.181 177.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 41.7 t -68.16 153.05 9.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-N 119.162 1.481 . . . . 0.0 111.9 177.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -124.55 97.58 5.36 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 127.651 2.38 . . . . 0.0 108.832 168.154 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 90.1 m -82.15 82.59 7.65 Favored 'General case' 0 CA--C 1.547 0.861 0 O-C-N 120.931 -1.106 . . . . 0.0 111.684 174.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.19 74.7 0.83 Allowed Glycine 0 N--CA 1.476 1.335 0 C-N-CA 125.111 1.339 . . . . 0.0 111.699 169.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.4 mttm 66.23 -53.72 0.4 Allowed 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 128.851 2.86 . . . . 0.0 114.848 -173.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -133.52 -18.36 2.2 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 127.178 2.191 . . . . 0.0 115.536 -171.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.9 m -85.65 -34.56 21.32 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -162.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.0 m 42.07 54.6 4.05 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.953 2.101 . . . . 0.0 114.115 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 55.1 m -97.18 125.54 41.76 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.973 1.709 . . . . 0.0 110.462 -174.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 44.4 t -70.24 -57.51 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 CA-C-O 122.944 1.354 . . . . 0.0 109.479 160.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -176.43 -42.41 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.442 1 C-N-CA 132.317 4.247 . . . . 0.0 107.502 179.041 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -79.67 22.46 0.47 Allowed 'General case' 0 CA--C 1.561 1.397 0 C-N-CA 127.929 2.492 . . . . 0.0 116.209 177.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.01 -20.7 60.49 Favored Glycine 0 CA--C 1.539 1.559 0 O-C-N 119.854 -1.779 . . . . 0.0 114.135 -175.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 33.0 m -65.53 -38.11 88.7 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.912 1.285 . . . . 0.0 113.169 165.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.84 -60.15 3.64 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.589 1.156 . . . . 0.0 110.974 175.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 7.8 pt -61.87 -34.3 62.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 177.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.18 -51.86 55.93 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 125.267 1.413 . . . . 0.0 112.327 174.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -59.45 -50.53 73.58 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.3 1.04 . . . . 0.0 113.199 176.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 78.3 mt -58.31 -45.77 89.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 C-N-CA 124.077 0.951 . . . . 0.0 111.109 178.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.98 -46.81 90.91 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 125.767 1.651 . . . . 0.0 112.857 174.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -73.75 -31.19 63.22 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 118.811 1.306 . . . . 0.0 113.153 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -63.01 -43.59 98.34 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.951 0.9 . . . . 0.0 111.96 171.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.76 -47.33 81.42 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.977 -0.452 . . . . 0.0 111.953 169.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.92 -11.27 36.17 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 177.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -101.46 -17.96 16.21 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 120.891 1.678 . . . . 0.0 114.07 169.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -65.45 -1.79 2.79 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-O 115.023 -2.418 . . . . 0.0 112.372 142.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 32.63 -72.56 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.874 1 C-N-CA 132.247 4.219 . . . . 0.0 113.497 147.437 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.71 -31.06 35.68 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 130.156 3.382 . . . . 0.0 113.472 176.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . 0.266 0.4 OUTLIER -149.72 -25.19 0.27 Allowed 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 117.583 2.438 . . . . 0.0 117.583 159.541 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 116.46 -16.71 14.44 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 125.742 1.639 . . . . 0.0 112.877 -167.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -161.33 55.81 0.31 Allowed Glycine 0 N--CA 1.469 0.865 0 C-N-CA 128.812 3.101 . . . . 0.0 110.528 166.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -121.88 -86.67 0.65 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.327 1.051 . . . . 0.0 112.001 -178.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.74 -10.78 59.85 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 -171.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -88.94 -65.13 1.29 Allowed Glycine 0 CA--C 1.527 0.836 0 C-N-CA 123.91 0.767 . . . . 0.0 112.571 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 10.8 t-105 -126.71 15.59 7.52 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 115.335 1.606 . . . . 0.0 115.335 -165.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -132.17 31.45 4.11 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 -175.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.633 0 C-N-CA 125.857 1.663 . . . . 0.0 114.137 172.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt . . . . . 0 N--CA 1.493 1.687 0 N-CA-C 110.505 -0.183 . . . . 0.0 110.505 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 17.5 p90 -131.72 150.7 52.07 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.655 1.182 . . . . 0.0 108.951 158.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 20.4 m-30 -70.91 -10.89 60.5 Favored 'General case' 0 CA--C 1.562 1.427 0 N-CA-C 115.821 1.786 . . . . 0.0 115.821 -172.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.74 -177.26 16.37 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 126.672 2.082 . . . . 0.0 114.411 -178.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -57.31 140.09 51.02 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.0 0.92 . . . . 0.0 112.359 170.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 75.81 3.16 72.81 Favored Glycine 0 CA--C 1.531 1.077 0 CA-C-O 117.782 -1.565 . . . . 0.0 116.647 -177.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 15.4 m -141.79 -60.72 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 CA-C-N 120.382 2.091 . . . . 0.0 114.831 -177.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.2 m80 51.13 -77.43 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 129.695 3.198 . . . . 0.0 116.554 -171.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 64.38 -47.2 0.3 Allowed 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 128.164 2.585 . . . . 0.0 117.576 -175.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.09 -14.53 59.29 Favored Glycine 0 CA--C 1.543 1.795 0 C-N-CA 126.278 1.894 . . . . 0.0 117.082 -171.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -65.15 -51.48 60.89 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.488 1.515 . . . . 0.0 110.725 173.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -162.29 -53.03 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.659 1.983 . . . . 0.0 112.204 -178.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.1 t -149.42 169.97 19.63 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 128.039 2.536 . . . . 0.0 110.14 174.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 12.1 m -65.94 76.15 0.08 Allowed 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 127.386 2.275 . . . . 0.0 111.345 -176.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 99.3 m -75.34 -11.79 60.13 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.668 1.987 . . . . 0.0 113.043 -171.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . 0.273 4.0 m 58.35 -46.76 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 129.542 3.137 . . . . 0.0 114.542 -164.307 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.1 p30 126.76 -3.37 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.897 1 C-N-CA 134.529 5.131 . . . . 0.0 110.842 -166.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . 0.353 0.0 OUTLIER -96.24 11.93 32.76 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 -170.265 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.65 -18.35 58.94 Favored Glycine 0 CA--C 1.538 1.523 0 O-C-N 120.713 -1.242 . . . . 0.0 112.86 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 34.1 p -71.97 -34.23 68.8 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.257 1.423 . . . . 0.0 114.241 164.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.72 -67.99 0.38 Allowed 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.875 2.07 . . . . 0.0 110.908 175.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 pt -56.33 -40.33 65.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 124.642 1.177 . . . . 0.0 113.505 173.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -46.49 -63.65 2.97 Favored Glycine 0 CA--C 1.54 1.601 0 C-N-CA 124.828 1.204 . . . . 0.0 113.458 168.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -64.75 -36.26 83.73 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 123.97 0.908 . . . . 0.0 113.145 -179.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 81.1 mt -59.55 -50.17 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 124.524 1.13 . . . . 0.0 110.529 173.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -51.59 -50.2 43.37 Favored Glycine 0 C--N 1.342 0.891 0 C-N-CA 125.659 1.6 . . . . 0.0 113.727 172.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -52.29 -57.6 9.24 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 126.828 2.051 . . . . 0.0 112.971 170.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -64.62 -41.41 96.2 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 125.826 1.651 . . . . 0.0 108.516 -169.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.64 -45.88 74.06 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 171.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.11 -9.3 1.93 Allowed 'General case' 0 CA--C 1.547 0.838 0 CA-C-O 118.422 -0.799 . . . . 0.0 113.051 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -111.11 -71.03 0.78 Allowed 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 118.392 2.738 . . . . 0.0 118.392 148.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -66.53 -9.07 31.19 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 126.526 1.931 . . . . 0.0 114.659 -159.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -78.98 -31.18 44.79 Favored 'General case' 0 N--CA 1.449 -0.477 0 O-C-N 121.945 -0.472 . . . . 0.0 111.671 -178.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -144.76 -23.72 0.51 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.523 1.529 . . . . 0.0 114.621 -162.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.1 m -133.82 -37.35 0.92 Allowed 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 -176.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -76.83 -3.4 79.94 Favored Glycine 0 N--CA 1.479 1.518 0 C-N-CA 124.019 0.819 . . . . 0.0 112.041 162.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -168.22 58.07 0.21 Allowed Glycine 0 CA--C 1.526 0.729 0 C-N-CA 128.194 2.807 . . . . 0.0 112.444 -173.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -61.62 -22.05 64.9 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.085 0.954 . . . . 0.0 113.436 178.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.22 -15.37 62.91 Favored 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 125.206 1.402 . . . . 0.0 113.617 169.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.63 -22.25 4.14 Favored Glycine 0 CA--C 1.547 2.08 0 C-N-CA 127.32 2.39 . . . . 0.0 115.227 175.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 -151.15 165.99 32.2 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.795 1.638 . . . . 0.0 110.618 -179.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -45.69 126.21 6.74 Favored 'General case' 0 CA--C 1.559 1.296 0 C-N-CA 125.141 1.376 . . . . 0.0 113.965 -178.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.261 0 C-N-CA 126.718 2.007 . . . . 0.0 112.07 -178.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 45.4 t . . . . . 0 C--O 1.242 0.71 0 CA-C-O 121.217 0.532 . . . . 0.0 111.875 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.426 ' H ' ' H ' ' A' ' 15' ' ' THR . 2.3 m-70 -126.2 68.11 1.21 Allowed 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 126.272 1.829 . . . . 0.0 111.971 174.038 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 78.9 m -59.61 138.71 57.64 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.841 1.656 . . . . 0.0 114.222 -174.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -115.3 -68.53 0.45 Allowed Glycine 0 CA--C 1.544 1.874 0 C-N-CA 126.058 1.79 . . . . 0.0 111.098 168.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -143.66 -39.96 0.3 Allowed 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.518 1.127 . . . . 0.0 113.842 175.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -136.95 22.86 3.06 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 126.258 1.823 . . . . 0.0 112.913 178.158 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.8 p -134.08 11.44 3.91 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.515 1.526 . . . . 0.0 114.676 -149.005 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 88.7 m -45.51 94.01 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 127.555 2.342 . . . . 0.0 112.281 173.133 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.426 ' H ' ' H ' ' A' ' 8' ' ' HIS . 2.1 m -64.58 -52.95 54.94 Favored 'General case' 0 C--N 1.349 0.564 0 N-CA-C 116.256 1.947 . . . . 0.0 116.256 -145.319 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.6 t 63.79 -70.7 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 CA-C-N 121.389 1.904 . . . . 0.0 112.33 -170.506 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -173.77 -6.35 0.01 OUTLIER 'General case' 0 CA--C 1.558 1.254 1 C-N-CA 134.079 4.952 . . . . 0.0 110.485 169.525 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -132.94 16.04 4.23 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 127.804 2.441 . . . . 0.0 116.44 -168.591 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.53 -18.47 65.74 Favored Glycine 0 N--CA 1.477 1.428 0 O-C-N 119.657 -1.902 . . . . 0.0 113.67 -178.236 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.6 p -66.03 -36.35 83.01 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.306 1.442 . . . . 0.0 113.129 164.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.59 -62.38 1.62 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.004 1.322 . . . . 0.0 110.763 174.033 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 11.1 pt -59.59 -35.84 61.7 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 O-C-N 121.338 -0.851 . . . . 0.0 112.248 179.118 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.28 -45.9 95.26 Favored Glycine 0 CA--C 1.531 1.053 0 C-N-CA 123.48 0.562 . . . . 0.0 113.235 173.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -65.65 -46.93 77.31 Favored 'General case' 0 C--O 1.221 -0.447 0 C-N-CA 124.679 1.192 . . . . 0.0 112.015 178.258 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 64.1 mt -55.92 -49.6 74.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 125.947 1.699 . . . . 0.0 109.365 176.234 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.79 -49.07 63.21 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 125.606 1.574 . . . . 0.0 113.396 173.099 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.77 -22.8 60.78 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.013 1.406 . . . . 0.0 113.887 179.408 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -71.26 -38.38 71.89 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 120.036 -1.665 . . . . 0.0 111.505 171.567 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.3 -48.92 78.95 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 120.865 -1.147 . . . . 0.0 110.121 164.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.24 -3.59 2.94 Favored 'General case' 0 CA--C 1.556 1.199 0 N-CA-C 116.419 2.007 . . . . 0.0 116.419 171.576 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -121.92 11.58 10.35 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 168.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -61.03 -48.93 79.49 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 118.216 -1.394 . . . . 0.0 107.648 127.232 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER 65.73 -30.68 0.14 Allowed 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 127.873 2.469 . . . . 0.0 113.947 -176.049 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.563 1.449 0 C-N-CA 127.99 2.516 . . . . 0.0 113.847 137.419 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 66.1 t . . . . . 0 N--CA 1.468 0.431 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -128.63 81.11 2.01 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.447 0.699 . . . . 0.0 112.233 175.11 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 98.3 m -71.05 93.96 1.06 Allowed 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 122.97 0.508 . . . . 0.0 110.114 168.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 139.18 -73.14 0.41 Allowed Glycine 0 C--N 1.335 0.501 0 C-N-CA 125.55 1.548 . . . . 0.0 111.81 -178.222 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -60.78 -32.98 72.29 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.242 1.417 . . . . 0.0 113.9 179.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 -143.16 37.43 1.39 Allowed 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 126.026 1.73 . . . . 0.0 112.7 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.8 m 40.81 47.28 2.48 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 127.231 2.212 . . . . 0.0 116.393 173.134 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.4 m 71.4 74.38 0.18 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 128.486 2.715 . . . . 0.0 112.675 178.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.13 173.4 0.47 Allowed 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 126.159 1.784 . . . . 0.0 112.251 160.69 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.606 HG23 ' H ' ' A' ' 18' ' ' TRP . 15.5 m -105.24 -175.91 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.957 0 C-N-CA 127.242 2.217 . . . . 0.0 112.332 169.474 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -54.27 -24.19 17.88 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.762 2.025 . . . . 0.0 114.105 164.003 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.606 ' H ' HG23 ' A' ' 16' ' ' VAL 0.27 0.0 OUTLIER -76.44 11.75 1.48 Allowed 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 117.89 2.552 . . . . 0.0 117.89 -165.482 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.98 -15.1 57.77 Favored Glycine 0 CA--C 1.538 1.48 0 O-C-N 120.785 -1.197 . . . . 0.0 113.156 177.69 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.8 p -64.89 -43.24 93.53 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.689 1.596 . . . . 0.0 113.651 163.064 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.65 -64.63 0.89 Allowed 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 126.035 1.734 . . . . 0.0 110.874 178.057 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.4 pt -58.9 -37.82 69.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 177.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -50.0 -62.52 4.91 Favored Glycine 0 N--CA 1.475 1.258 0 C-N-CA 126.067 1.794 . . . . 0.0 112.73 171.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -61.49 -48.9 79.01 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.208 1.003 . . . . 0.0 112.896 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 70.4 mt -54.09 -52.6 35.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 125.39 1.476 . . . . 0.0 111.17 175.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.03 -23.66 69.72 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 115.886 1.115 . . . . 0.0 115.886 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.9 m-80 -99.65 -19.63 16.71 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-N 119.364 1.582 . . . . 0.0 113.373 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -66.77 -43.68 83.36 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 119.744 1.156 . . . . 0.0 111.056 155.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.79 -36.79 70.27 Favored 'General case' 0 C--N 1.341 0.239 0 O-C-N 121.411 -0.806 . . . . 0.0 110.975 170.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.53 -9.18 58.57 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 116.432 2.012 . . . . 0.0 116.432 176.039 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.11 -25.29 64.33 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 120.508 -1.37 . . . . 0.0 111.709 153.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -101.05 6.33 43.34 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 127.139 2.176 . . . . 0.0 113.536 174.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -46.23 -42.25 14.0 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 127.589 2.356 . . . . 0.0 113.032 178.726 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.402 0 C-N-CA 125.57 1.548 . . . . 0.0 113.792 -178.006 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.6 p . . . . . 0 N--CA 1.473 0.715 0 CA-C-O 123.393 1.568 . . . . 0.0 111.609 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -129.75 53.75 1.89 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 128.093 2.557 . . . . 0.0 110.922 -166.217 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.7 t -56.99 110.68 0.86 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 127.356 2.262 . . . . 0.0 113.373 -167.27 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.72 -24.2 0.23 Allowed Glycine 0 CA--C 1.533 1.163 0 C-N-CA 124.652 1.12 . . . . 0.0 115.787 178.244 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -61.11 -59.85 4.7 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.926 1.291 . . . . 0.0 111.706 176.607 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -136.7 -54.43 0.72 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 127.05 2.14 . . . . 0.0 110.769 171.273 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.4 m -138.24 179.68 6.31 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 127.739 2.416 . . . . 0.0 111.125 178.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 86.8 m -67.76 100.96 0.98 Allowed 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.773 0.829 . . . . 0.0 111.243 174.375 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.2 m -50.74 -36.41 36.33 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 126.961 2.104 . . . . 0.0 115.009 -159.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.718 HG23 ' CE3' ' A' ' 18' ' ' TRP 0.367 2.8 p -140.72 73.67 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-O 122.8 1.286 . . . . 0.0 113.917 154.64 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -84.85 14.47 4.78 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 114.372 -1.286 . . . . 0.0 111.429 129.108 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.718 ' CE3' HG23 ' A' ' 16' ' ' VAL 0.275 0.0 OUTLIER -75.82 17.65 0.3 Allowed 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 127.894 2.477 . . . . 0.0 115.548 -148.772 . . . . . . . . 4 4 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.39 -14.62 60.09 Favored Glycine 0 CA--C 1.553 2.431 0 O-C-N 119.404 -2.06 . . . . 0.0 112.893 -177.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.9 p -65.23 -40.78 94.55 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 126.267 1.827 . . . . 0.0 112.965 161.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.53 -62.2 1.66 Allowed 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 126.667 1.987 . . . . 0.0 111.391 178.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.5 pt -60.81 -41.42 88.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 O-C-N 121.37 -0.831 . . . . 0.0 112.014 177.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -51.06 -56.01 16.24 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 126.7 2.095 . . . . 0.0 113.025 171.37 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -58.06 -49.87 75.39 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.993 1.317 . . . . 0.0 113.152 175.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 78.0 mt -55.28 -48.63 76.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 O-C-N 121.482 -0.761 . . . . 0.0 110.194 176.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.13 -15.7 65.65 Favored Glycine 0 CA--C 1.534 1.252 0 N-CA-C 115.821 1.088 . . . . 0.0 115.821 177.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.41 ' HA ' ' HB3' ' A' ' 30' ' ' ALA . 16.8 m-80 -110.82 -17.41 13.35 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 119.97 1.885 . . . . 0.0 114.115 -178.683 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -55.7 -49.02 74.12 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.523 -0.736 . . . . 0.0 110.04 145.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.86 -32.79 72.21 Favored 'General case' 0 CA--C 1.549 0.91 0 O-C-N 121.205 -0.934 . . . . 0.0 112.642 171.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.41 ' HB3' ' HA ' ' A' ' 27' ' ' ASN . . . -75.68 -9.89 58.97 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 119.333 -2.104 . . . . 0.0 115.562 171.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.95 -43.48 78.98 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 120.727 1.603 . . . . 0.0 110.44 152.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -68.12 -20.21 64.89 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 177.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.405 ' CD2' ' HA ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -43.28 -50.47 6.57 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 126.447 1.899 . . . . 0.0 111.317 170.928 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.8 0 C-N-CA 125.841 1.656 . . . . 0.0 115.088 -154.385 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.271 11.3 t . . . . . 0 CA--C 1.562 1.436 0 N-CA-C 116.827 2.158 . . . . 0.0 116.827 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . 0.284 70.7 m80 106.6 23.99 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.654 0 C-N-CA 130.23 3.412 . . . . 0.0 115.573 -179.573 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 67.0 m -58.49 137.53 57.31 Favored 'General case' 0 CA--C 1.552 1.024 0 O-C-N 120.475 -1.391 . . . . 0.0 111.383 174.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.98 -53.78 2.59 Favored Glycine 0 N--CA 1.48 1.61 0 C-N-CA 124.734 1.159 . . . . 0.0 113.599 -168.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -62.89 -54.97 30.4 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.703 1.201 . . . . 0.0 111.448 -175.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 63.1 t-80 -153.75 67.73 0.76 Allowed 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 127.081 2.152 . . . . 0.0 110.967 174.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.0 m 43.27 41.01 2.78 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 127.453 2.301 . . . . 0.0 116.829 170.301 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.4 m 56.16 32.0 19.34 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 125.359 1.464 . . . . 0.0 112.264 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 94.3 m -64.16 97.41 0.18 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.684 1.194 . . . . 0.0 113.591 172.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.3 t -56.33 -23.41 16.36 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.829 0 C-N-CA 127.843 2.457 . . . . 0.0 113.467 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.1 t70 120.97 -25.89 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.429 1 C-N-CA 134.031 4.932 . . . . 0.0 110.915 -173.231 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.42 ' CE2' HD11 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -62.9 22.1 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 129.65 3.18 . . . . 0.0 117.151 173.171 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.21 -20.84 55.48 Favored Glycine 0 CA--C 1.546 1.977 0 O-C-N 121.106 -0.997 . . . . 0.0 113.799 178.244 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.4 p -69.19 -36.02 76.87 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 127.395 2.278 . . . . 0.0 113.229 168.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.79 -56.58 20.31 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.996 1.318 . . . . 0.0 109.468 170.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.42 HD11 ' CE2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -65.42 -30.69 50.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 O-C-N 121.278 -0.889 . . . . 0.0 111.863 179.155 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.22 -46.62 93.53 Favored Glycine 0 CA--C 1.534 1.268 0 C-N-CA 123.897 0.76 . . . . 0.0 113.688 168.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -63.56 -42.24 98.37 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.113 0.965 . . . . 0.0 112.598 175.049 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 93.5 mt -62.05 -41.56 91.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 124.178 0.991 . . . . 0.0 110.838 173.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.46 -51.65 55.0 Favored Glycine 0 N--CA 1.476 1.366 0 C-N-CA 126.036 1.779 . . . . 0.0 112.843 171.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -58.44 -41.7 85.69 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 118.269 1.035 . . . . 0.0 113.478 173.259 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -58.34 -45.77 87.52 Favored 'General case' 0 CA--C 1.554 1.119 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 176.224 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.54 -56.41 20.35 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 122.747 0.419 . . . . 0.0 110.979 170.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.3 -9.22 0.63 Allowed 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 125.507 1.523 . . . . 0.0 115.023 179.026 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -122.07 -3.72 9.05 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 117.073 2.249 . . . . 0.0 117.073 172.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -62.43 -7.76 5.02 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 120.542 -1.349 . . . . 0.0 111.172 132.239 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER 58.25 27.18 14.83 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.894 2.078 . . . . 0.0 110.411 -172.496 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.631 0 C-N-CA 129.024 2.93 . . . . 0.0 113.514 -167.209 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.346 0.8 OUTLIER . . . . . 0 CA--C 1.559 1.303 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -83.82 25.53 0.79 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 118.777 -2.452 . . . . 0.0 115.085 -175.451 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 97.6 m -48.85 124.62 8.85 Favored 'General case' 0 CA--C 1.548 0.901 0 O-C-N 121.215 -0.928 . . . . 0.0 111.153 170.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.16 -39.98 1.67 Allowed Glycine 0 CA--C 1.545 1.918 0 C-N-CA 124.95 1.262 . . . . 0.0 114.63 -175.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.37 -39.98 96.01 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 125.417 1.487 . . . . 0.0 113.524 173.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -151.94 -71.38 0.16 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 126.231 1.812 . . . . 0.0 111.18 171.133 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.7 t -156.61 159.59 38.62 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.194 1.798 . . . . 0.0 111.032 174.19 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 84.4 m -74.81 36.67 0.11 Allowed 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.255 1.422 . . . . 0.0 114.511 177.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.45 -20.07 57.41 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 -168.755 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER 52.01 19.95 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 N-CA-C 115.854 1.798 . . . . 0.0 115.854 -178.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.3 t0 49.99 16.34 0.23 Allowed 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 127.805 2.442 . . . . 0.0 115.434 -160.324 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . 0.311 0.0 OUTLIER -137.21 11.07 3.03 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 117.073 2.249 . . . . 0.0 117.073 -177.867 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.37 -17.93 60.23 Favored Glycine 0 CA--C 1.538 1.498 0 O-C-N 120.675 -1.266 . . . . 0.0 112.781 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.6 p -71.38 -28.57 64.12 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.636 1.574 . . . . 0.0 113.297 166.372 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.03 -53.3 10.3 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 125.117 1.367 . . . . 0.0 111.264 176.366 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 12.5 pt -62.98 -35.76 72.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 CA-C-N 117.849 0.295 . . . . 0.0 110.224 173.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -53.76 -51.18 50.66 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 124.03 0.824 . . . . 0.0 113.863 168.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -60.92 -43.78 98.12 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.453 1.101 . . . . 0.0 111.998 177.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 80.4 mt -58.21 -46.78 88.57 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 C-N-CA 125.38 1.472 . . . . 0.0 111.287 173.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.18 -29.9 74.28 Favored Glycine 0 CA--C 1.542 1.729 0 C-N-CA 124.743 1.163 . . . . 0.0 114.311 175.352 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -90.68 -23.85 20.62 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.684 1.194 . . . . 0.0 112.921 179.347 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -64.79 -43.29 93.69 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.73 0.812 . . . . 0.0 111.368 159.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.9 -30.36 65.83 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.107 -0.995 . . . . 0.0 112.097 167.318 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.04 -4.46 59.17 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 173.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.07 -32.96 71.3 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.941 1.246 . . . . 0.0 111.186 150.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -91.8 8.17 38.4 Favored 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 125.769 1.627 . . . . 0.0 113.16 173.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -47.22 -34.01 5.97 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 127.513 2.325 . . . . 0.0 114.162 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.728 0 C-N-CA 125.179 1.391 . . . . 0.0 113.42 173.406 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.484 1.249 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -142.98 128.67 19.24 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 128.309 2.644 . . . . 0.0 108.529 176.627 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 30.6 m -54.46 -35.85 63.47 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 120.476 -1.39 . . . . 0.0 110.474 176.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 143.38 -38.1 1.42 Allowed Glycine 0 CA--C 1.543 1.794 0 C-N-CA 128.903 3.144 . . . . 0.0 109.934 -158.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -133.49 -56.97 0.9 Allowed 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 127.684 2.394 . . . . 0.0 112.4 168.241 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 60.3 t60 -74.91 -152.34 0.03 OUTLIER 'General case' 0 CA--C 1.56 1.328 0 C-N-CA 126.307 1.843 . . . . 0.0 111.067 171.607 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.9 m -99.1 -11.02 21.81 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 118.867 2.914 . . . . 0.0 118.867 -157.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.1 p -98.7 12.67 34.75 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 119.366 3.098 . . . . 0.0 119.366 -143.082 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.528 HG23 ' H ' ' A' ' 19' ' ' GLY . 1.0 OUTLIER -135.9 125.04 24.46 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 120.133 1.333 . . . . 0.0 112.026 -177.25 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.1 t -69.81 28.22 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 C-N-CA 127.964 2.505 . . . . 0.0 112.947 176.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 55.92 -2.6 0.03 OUTLIER 'General case' 0 CA--C 1.561 1.385 0 C-N-CA 128.865 2.866 . . . . 0.0 115.122 -158.437 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . 0.326 0.0 OUTLIER -110.59 9.64 23.03 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 127.624 2.37 . . . . 0.0 115.141 177.366 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.528 ' H ' HG23 ' A' ' 15' ' ' THR . . . -61.73 -19.49 58.43 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 124.968 1.271 . . . . 0.0 113.707 177.772 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.2 t -62.34 -39.31 92.67 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.274 1.03 . . . . 0.0 111.982 166.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.63 -60.28 2.68 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.835 2.054 . . . . 0.0 111.479 176.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.7 pt -62.93 -36.89 77.65 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.358 0 C-N-CA 119.758 -0.777 . . . . 0.0 112.945 178.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.44 -49.64 76.32 Favored Glycine 0 CA--C 1.539 1.534 0 C-N-CA 124.669 1.128 . . . . 0.0 113.091 176.109 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -60.14 -47.41 86.04 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.252 1.021 . . . . 0.0 111.23 175.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 60.8 mt -60.08 -45.63 95.41 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 C-N-CA 124.457 1.103 . . . . 0.0 111.778 176.668 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.42 -36.51 93.48 Favored Glycine 0 N--CA 1.47 0.945 0 O-C-N 121.045 -1.034 . . . . 0.0 114.335 178.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -87.07 -21.43 26.06 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 176.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -59.06 -51.03 71.8 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 121.405 -0.81 . . . . 0.0 109.994 159.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.05 -26.73 60.85 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 171.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.21 10.79 39.05 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 116.772 2.138 . . . . 0.0 116.772 176.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -99.39 -19.53 16.95 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.099 -1.001 . . . . 0.0 113.403 148.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -68.97 -48.84 62.18 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 118.114 -0.946 . . . . 0.0 109.741 160.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 28.47 -66.65 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.203 1 C-N-CA 133.215 4.606 . . . . 0.0 116.998 173.076 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.785 0 C-N-CA 126.267 1.827 . . . . 0.0 113.018 165.92 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 37.6 t . . . . . 0 CA--C 1.534 0.358 0 N-CA-C 114.506 1.298 . . . . 0.0 114.506 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.0 m80 48.98 78.55 0.09 Allowed 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 127.141 2.177 . . . . 0.0 113.599 -178.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.497 ' HA ' ' H ' ' A' ' 14' ' ' CYS . 1.7 t -115.91 169.51 9.18 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -178.177 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 174.23 -106.77 0.23 Allowed Glycine 0 CA--C 1.539 1.54 0 C-N-CA 125.261 1.41 . . . . 0.0 110.991 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -78.16 -52.3 8.92 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.201 1.001 . . . . 0.0 113.202 -177.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -143.16 2.45 1.31 Allowed 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 115.456 1.65 . . . . 0.0 115.456 -172.343 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.4 p -85.34 -92.11 0.09 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.751 1.62 . . . . 0.0 113.146 -167.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.497 ' H ' ' HA ' ' A' ' 9' ' ' CYS . 1.4 m 49.53 38.0 13.62 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 126.061 1.744 . . . . 0.0 111.684 -169.055 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 31.6 m -72.18 -24.17 61.38 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 116.257 1.947 . . . . 0.0 116.257 -165.135 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.2 t 45.67 -110.81 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 CA-C-N 120.014 1.279 . . . . 0.0 108.947 -154.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -129.73 13.63 5.88 Favored 'General case' 0 CA--C 1.561 1.366 0 C-N-CA 126.458 1.903 . . . . 0.0 112.041 154.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.473 ' CE2' HD11 ' A' ' 22' ' ' ILE 0.281 0.0 OUTLIER -138.45 12.82 2.77 Favored 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 116.473 2.027 . . . . 0.0 116.473 -168.486 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.69 -24.46 64.29 Favored Glycine 0 CA--C 1.542 1.739 0 O-C-N 120.898 -1.126 . . . . 0.0 113.224 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.4 p -60.33 -39.44 87.1 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.676 1.99 . . . . 0.0 113.19 165.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.14 -59.22 5.76 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.765 1.626 . . . . 0.0 110.036 173.147 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.473 HD11 ' CE2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -67.94 -29.98 46.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -175.603 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.51 -52.25 53.71 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 123.7 0.667 . . . . 0.0 111.977 169.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -58.05 -50.56 73.0 Favored 'General case' 0 C--O 1.242 0.677 0 C-N-CA 123.507 0.723 . . . . 0.0 111.958 175.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 69.8 mt -58.54 -47.33 88.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.754 1.221 . . . . 0.0 111.668 177.201 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.17 -15.23 58.34 Favored Glycine 0 CA--C 1.538 1.528 0 C-N-CA 126.195 1.855 . . . . 0.0 115.392 175.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -104.11 -24.19 13.21 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 120.97 -1.312 . . . . 0.0 112.943 175.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -61.06 -38.21 85.41 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 120.266 -1.521 . . . . 0.0 111.172 153.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.2 -42.59 91.3 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 120.995 -1.065 . . . . 0.0 111.253 166.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.04 -10.73 59.66 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 117.326 2.343 . . . . 0.0 117.326 173.048 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.27 -46.14 61.56 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 120.814 1.643 . . . . 0.0 110.248 154.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -68.56 -12.71 61.65 Favored 'General case' 0 CA--C 1.556 1.178 0 O-C-N 119.987 -1.696 . . . . 0.0 114.036 178.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.11 -42.33 65.88 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 126.449 1.899 . . . . 0.0 111.227 171.624 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.315 0 C-N-CA 125.344 1.458 . . . . 0.0 113.975 -158.022 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.5 t . . . . . 0 CA--C 1.54 0.585 0 CA-C-O 121.335 0.588 . . . . 0.0 111.633 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -130.76 72.86 1.51 Allowed 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.955 2.102 . . . . 0.0 111.916 -168.302 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 59.9 m -84.05 97.54 9.36 Favored 'General case' 0 CA--C 1.557 1.249 0 O-C-N 120.954 -1.091 . . . . 0.0 110.362 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 174.6 -88.68 0.08 OUTLIER Glycine 0 CA--C 1.544 1.865 0 C-N-CA 124.128 0.87 . . . . 0.0 113.982 177.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -68.3 -50.04 56.34 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 124.727 1.211 . . . . 0.0 110.963 168.238 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -77.18 166.95 22.56 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.942 1.697 . . . . 0.0 110.829 164.252 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.5 m -102.49 62.12 0.84 Allowed 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.537 1.135 . . . . 0.0 111.156 177.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 72.9 m 65.74 -38.3 0.27 Allowed 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 128.417 2.687 . . . . 0.0 114.879 -176.036 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.63 HG22 ' H ' ' A' ' 17' ' ' ASP . 59.9 m 59.17 -81.92 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 126.923 2.089 . . . . 0.0 116.014 171.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.0 t 57.67 -5.7 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 C-N-CA 127.235 2.214 . . . . 0.0 114.441 -166.475 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.63 ' H ' HG22 ' A' ' 15' ' ' THR . 21.9 t70 59.25 18.2 6.4 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 128.266 2.626 . . . . 0.0 113.1 -164.605 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.568 ' CE2' HD11 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -138.66 -11.86 1.34 Allowed 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 115.526 1.676 . . . . 0.0 115.526 -156.617 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.96 -31.57 81.35 Favored Glycine 0 CA--C 1.539 1.542 0 O-C-N 119.943 -1.723 . . . . 0.0 113.343 175.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.7 p -64.61 -30.3 71.32 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.358 1.463 . . . . 0.0 113.293 169.181 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.37 -60.78 3.25 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 124.401 1.08 . . . . 0.0 109.099 170.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.568 HD11 ' CE2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -64.19 -33.99 66.05 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.82 0 N-CA-C 113.032 0.752 . . . . 0.0 113.032 -175.507 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.1 -54.88 32.38 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 124.944 1.259 . . . . 0.0 112.781 170.25 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -62.69 -51.78 65.88 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.204 1.401 . . . . 0.0 112.559 176.533 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 76.0 mt -56.7 -42.56 77.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 125.912 1.685 . . . . 0.0 110.623 178.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -53.86 -65.12 3.66 Favored Glycine 0 C--O 1.24 0.518 0 C-N-CA 127.111 2.291 . . . . 0.0 113.288 176.213 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -72.45 -13.75 61.52 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 176.462 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -63.5 -55.7 21.92 Favored 'General case' 0 CA--C 1.556 1.201 0 CA-C-N 120.91 1.686 . . . . 0.0 111.137 164.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.56 -48.07 80.34 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.924 0.89 . . . . 0.0 111.714 172.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.35 0.64 7.68 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 117.114 -1.422 . . . . 0.0 113.731 174.346 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -101.76 -14.29 17.38 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 121.995 2.179 . . . . 0.0 113.73 165.159 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -59.42 -48.99 79.52 Favored 'General case' 0 CA--C 1.552 1.03 0 CA-C-N 119.496 1.044 . . . . 0.0 109.01 152.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . 0.27 42.3 t90 -63.97 -43.63 95.18 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 115.27 1.581 . . . . 0.0 115.27 172.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.576 0 CA-C-N 120.426 1.466 . . . . 0.0 112.548 179.816 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 41.7 t . . . . . 0 N--CA 1.471 0.592 0 CA-C-O 121.907 0.86 . . . . 0.0 111.9 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -124.55 97.58 5.36 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 127.651 2.38 . . . . 0.0 108.832 168.154 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 90.1 m -82.15 82.59 7.65 Favored 'General case' 0 CA--C 1.547 0.861 0 O-C-N 120.931 -1.106 . . . . 0.0 111.684 174.084 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.19 74.7 0.83 Allowed Glycine 0 N--CA 1.476 1.335 0 C-N-CA 125.111 1.339 . . . . 0.0 111.699 169.074 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.4 mttm 66.23 -53.72 0.4 Allowed 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 128.851 2.86 . . . . 0.0 114.848 -173.228 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -133.52 -18.36 2.2 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 127.178 2.191 . . . . 0.0 115.536 -171.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.9 m -85.65 -34.56 21.32 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -162.417 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.0 m 42.07 54.6 4.05 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.953 2.101 . . . . 0.0 114.115 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 55.1 m -97.18 125.54 41.76 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.973 1.709 . . . . 0.0 110.462 -174.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.532 HG23 ' CZ3' ' A' ' 18' ' ' TRP . 44.4 t -70.24 -57.51 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 CA-C-O 122.944 1.354 . . . . 0.0 109.479 160.315 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -176.43 -42.41 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.442 1 C-N-CA 132.317 4.247 . . . . 0.0 107.502 179.041 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.532 ' CZ3' HG23 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -79.67 22.46 0.47 Allowed 'General case' 0 CA--C 1.561 1.397 0 C-N-CA 127.929 2.492 . . . . 0.0 116.209 177.562 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.01 -20.7 60.49 Favored Glycine 0 CA--C 1.539 1.559 0 O-C-N 119.854 -1.779 . . . . 0.0 114.135 -175.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 33.0 m -65.53 -38.11 88.7 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.912 1.285 . . . . 0.0 113.169 165.598 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.84 -60.15 3.64 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.589 1.156 . . . . 0.0 110.974 175.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 7.8 pt -61.87 -34.3 62.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 177.234 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.18 -51.86 55.93 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 125.267 1.413 . . . . 0.0 112.327 174.035 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -59.45 -50.53 73.58 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.3 1.04 . . . . 0.0 113.199 176.098 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 78.3 mt -58.31 -45.77 89.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 C-N-CA 124.077 0.951 . . . . 0.0 111.109 178.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.98 -46.81 90.91 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 125.767 1.651 . . . . 0.0 112.857 174.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -73.75 -31.19 63.22 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 118.811 1.306 . . . . 0.0 113.153 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -63.01 -43.59 98.34 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.951 0.9 . . . . 0.0 111.96 171.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.76 -47.33 81.42 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.977 -0.452 . . . . 0.0 111.953 169.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.92 -11.27 36.17 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 177.225 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -101.46 -17.96 16.21 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 120.891 1.678 . . . . 0.0 114.07 169.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -65.45 -1.79 2.79 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-O 115.023 -2.418 . . . . 0.0 112.372 142.245 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 32.63 -72.56 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.874 1 C-N-CA 132.247 4.219 . . . . 0.0 113.497 147.437 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.781 0 C-N-CA 130.156 3.382 . . . . 0.0 113.472 176.586 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 15.4 m . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.2 m80 51.13 -77.43 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 129.695 3.198 . . . . 0.0 116.554 -171.267 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 64.38 -47.2 0.3 Allowed 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 128.164 2.585 . . . . 0.0 117.576 -175.528 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.09 -14.53 59.29 Favored Glycine 0 CA--C 1.543 1.795 0 C-N-CA 126.278 1.894 . . . . 0.0 117.082 -171.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -65.15 -51.48 60.89 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.488 1.515 . . . . 0.0 110.725 173.156 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -162.29 -53.03 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.659 1.983 . . . . 0.0 112.204 -178.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.1 t -149.42 169.97 19.63 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 128.039 2.536 . . . . 0.0 110.14 174.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 12.1 m -65.94 76.15 0.08 Allowed 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 127.386 2.275 . . . . 0.0 111.345 -176.026 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 99.3 m -75.34 -11.79 60.13 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.668 1.987 . . . . 0.0 113.043 -171.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . 0.273 4.0 m 58.35 -46.76 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 129.542 3.137 . . . . 0.0 114.542 -164.307 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.1 p30 126.76 -3.37 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.897 1 C-N-CA 134.529 5.131 . . . . 0.0 110.842 -166.424 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . 0.353 0.0 OUTLIER -96.24 11.93 32.76 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 -170.265 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.65 -18.35 58.94 Favored Glycine 0 CA--C 1.538 1.523 0 O-C-N 120.713 -1.242 . . . . 0.0 112.86 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 34.1 p -71.97 -34.23 68.8 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.257 1.423 . . . . 0.0 114.241 164.604 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.72 -67.99 0.38 Allowed 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.875 2.07 . . . . 0.0 110.908 175.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 pt -56.33 -40.33 65.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 124.642 1.177 . . . . 0.0 113.505 173.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -46.49 -63.65 2.97 Favored Glycine 0 CA--C 1.54 1.601 0 C-N-CA 124.828 1.204 . . . . 0.0 113.458 168.335 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -64.75 -36.26 83.73 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 123.97 0.908 . . . . 0.0 113.145 -179.455 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 81.1 mt -59.55 -50.17 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 124.524 1.13 . . . . 0.0 110.529 173.442 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -51.59 -50.2 43.37 Favored Glycine 0 C--N 1.342 0.891 0 C-N-CA 125.659 1.6 . . . . 0.0 113.727 172.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -52.29 -57.6 9.24 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 126.828 2.051 . . . . 0.0 112.971 170.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -64.62 -41.41 96.2 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 125.826 1.651 . . . . 0.0 108.516 -169.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.64 -45.88 74.06 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 171.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.11 -9.3 1.93 Allowed 'General case' 0 CA--C 1.547 0.838 0 CA-C-O 118.422 -0.799 . . . . 0.0 113.051 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -111.11 -71.03 0.78 Allowed 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 118.392 2.738 . . . . 0.0 118.392 148.047 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -66.53 -9.07 31.19 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 126.526 1.931 . . . . 0.0 114.659 -159.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -78.98 -31.18 44.79 Favored 'General case' 0 N--CA 1.449 -0.477 0 O-C-N 121.945 -0.472 . . . . 0.0 111.671 -178.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.451 0 C-N-CA 125.523 1.529 . . . . 0.0 114.621 -162.665 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 46.4 tptt . . . . . 0 N--CA 1.489 1.482 0 CA-C-O 122.458 1.123 . . . . 0.0 111.899 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -74.7 115.4 14.23 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 127.074 2.15 . . . . 0.0 110.124 165.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -95.87 -27.08 15.36 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 177.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.09 177.81 15.05 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 125.672 1.606 . . . . 0.0 113.107 -176.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 48.17 -87.01 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 127.037 2.135 . . . . 0.0 114.69 -169.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -129.9 2.51 5.97 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 125.187 1.375 . . . . 0.0 113.891 173.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 45.4 t -86.53 112.54 22.99 Favored 'Isoleucine or valine' 0 C--O 1.242 0.71 0 CA-C-N 120.067 1.933 . . . . 0.0 111.875 -170.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.426 ' H ' ' H ' ' A' ' 15' ' ' THR . 2.3 m-70 -126.2 68.11 1.21 Allowed 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 126.272 1.829 . . . . 0.0 111.971 174.038 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 78.9 m -59.61 138.71 57.64 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.841 1.656 . . . . 0.0 114.222 -174.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -115.3 -68.53 0.45 Allowed Glycine 0 CA--C 1.544 1.874 0 C-N-CA 126.058 1.79 . . . . 0.0 111.098 168.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -143.66 -39.96 0.3 Allowed 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.518 1.127 . . . . 0.0 113.842 175.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -136.95 22.86 3.06 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 126.258 1.823 . . . . 0.0 112.913 178.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.8 p -134.08 11.44 3.91 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.515 1.526 . . . . 0.0 114.676 -149.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 88.7 m -45.51 94.01 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 127.555 2.342 . . . . 0.0 112.281 173.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.426 ' H ' ' H ' ' A' ' 8' ' ' HIS . 2.1 m -64.58 -52.95 54.94 Favored 'General case' 0 C--N 1.349 0.564 0 N-CA-C 116.256 1.947 . . . . 0.0 116.256 -145.319 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.6 t 63.79 -70.7 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 CA-C-N 121.389 1.904 . . . . 0.0 112.33 -170.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -173.77 -6.35 0.01 OUTLIER 'General case' 0 CA--C 1.558 1.254 1 C-N-CA 134.079 4.952 . . . . 0.0 110.485 169.525 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -132.94 16.04 4.23 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 127.804 2.441 . . . . 0.0 116.44 -168.591 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.53 -18.47 65.74 Favored Glycine 0 N--CA 1.477 1.428 0 O-C-N 119.657 -1.902 . . . . 0.0 113.67 -178.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.6 p -66.03 -36.35 83.01 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.306 1.442 . . . . 0.0 113.129 164.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.59 -62.38 1.62 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.004 1.322 . . . . 0.0 110.763 174.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 11.1 pt -59.59 -35.84 61.7 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 O-C-N 121.338 -0.851 . . . . 0.0 112.248 179.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.28 -45.9 95.26 Favored Glycine 0 CA--C 1.531 1.053 0 C-N-CA 123.48 0.562 . . . . 0.0 113.235 173.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -65.65 -46.93 77.31 Favored 'General case' 0 C--O 1.221 -0.447 0 C-N-CA 124.679 1.192 . . . . 0.0 112.015 178.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 64.1 mt -55.92 -49.6 74.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 125.947 1.699 . . . . 0.0 109.365 176.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.79 -49.07 63.21 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 125.606 1.574 . . . . 0.0 113.396 173.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.77 -22.8 60.78 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.013 1.406 . . . . 0.0 113.887 179.408 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -71.26 -38.38 71.89 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 120.036 -1.665 . . . . 0.0 111.505 171.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.3 -48.92 78.95 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 120.865 -1.147 . . . . 0.0 110.121 164.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.24 -3.59 2.94 Favored 'General case' 0 CA--C 1.556 1.199 0 N-CA-C 116.419 2.007 . . . . 0.0 116.419 171.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -121.92 11.58 10.35 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 168.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.402 ' HB2' ' H ' ' A' ' 36' ' ' GLY . 5.5 m120 -61.03 -48.93 79.49 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 118.216 -1.394 . . . . 0.0 107.648 127.232 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER 65.73 -30.68 0.14 Allowed 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 127.873 2.469 . . . . 0.0 113.947 -176.049 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.68 -9.65 2.92 Favored 'General case' 0 CA--C 1.563 1.449 0 C-N-CA 127.99 2.516 . . . . 0.0 113.847 137.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . 0.356 98.4 m 80.79 69.67 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 114.803 1.409 . . . . 0.0 114.803 154.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.402 ' H ' ' HB2' ' A' ' 32' ' ' ASN . . . 58.59 13.25 16.53 Favored Glycine 0 CA--C 1.544 1.852 0 O-C-N 120.676 -1.265 . . . . 0.0 114.535 -175.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 99.92 10.67 45.53 Favored Glycine 0 CA--C 1.543 1.789 0 C-N-CA 125.469 1.509 . . . . 0.0 114.013 -169.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -51.06 -48.37 61.59 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.803 1.801 . . . . 0.0 113.728 176.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.28 11.2 19.6 Favored 'General case' 0 CA--C 1.556 1.176 0 C-N-CA 125.135 1.374 . . . . 0.0 112.678 176.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.88 -2.13 81.37 Favored Glycine 0 CA--C 1.549 2.197 0 C-N-CA 125.73 1.633 . . . . 0.0 114.88 -173.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 9.3 t90 41.47 44.75 2.58 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 126.566 1.946 . . . . 0.0 114.461 -174.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -57.2 118.15 4.78 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 126.657 1.983 . . . . 0.0 113.105 -175.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 66.0 mttm . . . . . 0 C--O 1.261 1.709 0 C-N-CA 126.646 1.978 . . . . 0.0 111.075 176.274 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 64.4 tttp . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -81.15 -8.16 59.71 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 115.965 1.839 . . . . 0.0 115.965 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.255 54.8 m-85 100.56 -82.32 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.983 1 C-N-CA 132.027 4.131 . . . . 0.0 113.18 174.247 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.1 172.26 13.44 Favored Glycine 0 CA--C 1.541 1.701 0 C-N-CA 125.664 1.602 . . . . 0.0 115.654 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 59.5 t30 31.7 73.6 0.06 Allowed 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 129.161 2.985 . . . . 0.0 117.321 174.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.414 ' H ' ' HA ' ' A' ' 17' ' ' ASP . . . -107.62 16.39 37.32 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 129.323 3.344 . . . . 0.0 111.702 -9.16 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 66.1 t -60.76 119.04 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 C-N-CA 128.998 2.919 . . . . 0.0 110.417 -172.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -128.63 81.11 2.01 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.447 0.699 . . . . 0.0 112.233 175.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 98.3 m -71.05 93.96 1.06 Allowed 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 122.97 0.508 . . . . 0.0 110.114 168.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 139.18 -73.14 0.41 Allowed Glycine 0 C--N 1.335 0.501 0 C-N-CA 125.55 1.548 . . . . 0.0 111.81 -178.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -60.78 -32.98 72.29 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.242 1.417 . . . . 0.0 113.9 179.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 -143.16 37.43 1.39 Allowed 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 126.026 1.73 . . . . 0.0 112.7 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.8 m 40.81 47.28 2.48 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 127.231 2.212 . . . . 0.0 116.393 173.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.4 m 71.4 74.38 0.18 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 128.486 2.715 . . . . 0.0 112.675 178.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.13 173.4 0.47 Allowed 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 126.159 1.784 . . . . 0.0 112.251 160.69 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.606 HG23 ' H ' ' A' ' 18' ' ' TRP . 15.5 m -105.24 -175.91 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.957 0 C-N-CA 127.242 2.217 . . . . 0.0 112.332 169.474 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.414 ' HA ' ' H ' ' A' ' 6' ' ' GLY . 27.5 t70 -54.27 -24.19 17.88 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.762 2.025 . . . . 0.0 114.105 164.003 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.606 ' H ' HG23 ' A' ' 16' ' ' VAL 0.27 0.0 OUTLIER -76.44 11.75 1.48 Allowed 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 117.89 2.552 . . . . 0.0 117.89 -165.482 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.98 -15.1 57.77 Favored Glycine 0 CA--C 1.538 1.48 0 O-C-N 120.785 -1.197 . . . . 0.0 113.156 177.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.8 p -64.89 -43.24 93.53 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.689 1.596 . . . . 0.0 113.651 163.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.65 -64.63 0.89 Allowed 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 126.035 1.734 . . . . 0.0 110.874 178.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.4 pt -58.9 -37.82 69.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 177.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -50.0 -62.52 4.91 Favored Glycine 0 N--CA 1.475 1.258 0 C-N-CA 126.067 1.794 . . . . 0.0 112.73 171.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -61.49 -48.9 79.01 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.208 1.003 . . . . 0.0 112.896 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 70.4 mt -54.09 -52.6 35.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 125.39 1.476 . . . . 0.0 111.17 175.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.03 -23.66 69.72 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 115.886 1.115 . . . . 0.0 115.886 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.9 m-80 -99.65 -19.63 16.71 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-N 119.364 1.582 . . . . 0.0 113.373 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -66.77 -43.68 83.36 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 119.744 1.156 . . . . 0.0 111.056 155.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.79 -36.79 70.27 Favored 'General case' 0 C--N 1.341 0.239 0 O-C-N 121.411 -0.806 . . . . 0.0 110.975 170.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.53 -9.18 58.57 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 116.432 2.012 . . . . 0.0 116.432 176.039 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.11 -25.29 64.33 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 120.508 -1.37 . . . . 0.0 111.709 153.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -101.05 6.33 43.34 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 127.139 2.176 . . . . 0.0 113.536 174.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -46.23 -42.25 14.0 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 127.589 2.356 . . . . 0.0 113.032 178.726 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.49 -4.49 58.99 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.57 1.548 . . . . 0.0 113.792 -178.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.5 m -124.62 -79.15 0.61 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.134 0.573 . . . . 0.0 111.112 -179.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -67.78 -42.03 87.58 Favored Glycine 0 CA--C 1.535 1.287 0 C-N-CA 124.174 0.892 . . . . 0.0 112.711 175.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.09 -27.24 71.13 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 121.064 -1.256 . . . . 0.0 114.058 172.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -77.7 -29.39 51.29 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.682 1.193 . . . . 0.0 111.6 173.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.28 -29.42 17.17 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.147 1.379 . . . . 0.0 114.152 -176.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 162.42 0.7 0.06 OUTLIER Glycine 0 CA--C 1.546 1.996 0 N-CA-C 118.424 2.13 . . . . 0.0 118.424 178.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -74.61 69.62 1.75 Allowed 'General case' 0 CA--C 1.558 1.275 0 CA-C-N 120.418 2.109 . . . . 0.0 111.278 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -74.66 165.14 25.72 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 125.263 1.425 . . . . 0.0 112.371 177.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp . . . . . 0 C--O 1.25 1.083 0 C-N-CA 127.264 2.226 . . . . 0.0 113.319 172.739 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 53.4 tptt . . . . . 0 N--CA 1.489 1.525 0 CA-C-O 121.622 0.725 . . . . 0.0 111.392 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -72.0 144.86 48.67 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 120.739 -1.226 . . . . 0.0 109.801 163.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -121.99 -28.79 4.37 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 177.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.98 -174.31 31.76 Favored Glycine 0 N--CA 1.472 1.086 0 O-C-N 121.172 -0.955 . . . . 0.0 113.607 -173.204 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 26.28 -91.45 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 128.945 2.898 . . . . 0.0 114.39 171.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -119.87 -1.11 13.27 Favored Glycine 0 CA--C 1.54 1.631 0 C-N-CA 125.112 1.339 . . . . 0.0 114.974 177.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.6 p -91.6 104.37 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 128.686 2.794 . . . . 0.0 111.609 -173.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -129.75 53.75 1.89 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 128.093 2.557 . . . . 0.0 110.922 -166.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.7 t -56.99 110.68 0.86 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 127.356 2.262 . . . . 0.0 113.373 -167.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.72 -24.2 0.23 Allowed Glycine 0 CA--C 1.533 1.163 0 C-N-CA 124.652 1.12 . . . . 0.0 115.787 178.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -61.11 -59.85 4.7 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.926 1.291 . . . . 0.0 111.706 176.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -136.7 -54.43 0.72 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 127.05 2.14 . . . . 0.0 110.769 171.273 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.4 m -138.24 179.68 6.31 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 127.739 2.416 . . . . 0.0 111.125 178.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 86.8 m -67.76 100.96 0.98 Allowed 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.773 0.829 . . . . 0.0 111.243 174.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.2 m -50.74 -36.41 36.33 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 126.961 2.104 . . . . 0.0 115.009 -159.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.718 HG23 ' CE3' ' A' ' 18' ' ' TRP 0.367 2.8 p -140.72 73.67 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-O 122.8 1.286 . . . . 0.0 113.917 154.64 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -84.85 14.47 4.78 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 114.372 -1.286 . . . . 0.0 111.429 129.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.718 ' CE3' HG23 ' A' ' 16' ' ' VAL 0.275 0.0 OUTLIER -75.82 17.65 0.3 Allowed 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 127.894 2.477 . . . . 0.0 115.548 -148.772 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.39 -14.62 60.09 Favored Glycine 0 CA--C 1.553 2.431 0 O-C-N 119.404 -2.06 . . . . 0.0 112.893 -177.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.9 p -65.23 -40.78 94.55 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 126.267 1.827 . . . . 0.0 112.965 161.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.53 -62.2 1.66 Allowed 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 126.667 1.987 . . . . 0.0 111.391 178.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.5 pt -60.81 -41.42 88.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 O-C-N 121.37 -0.831 . . . . 0.0 112.014 177.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -51.06 -56.01 16.24 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 126.7 2.095 . . . . 0.0 113.025 171.37 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -58.06 -49.87 75.39 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.993 1.317 . . . . 0.0 113.152 175.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 78.0 mt -55.28 -48.63 76.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 O-C-N 121.482 -0.761 . . . . 0.0 110.194 176.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.13 -15.7 65.65 Favored Glycine 0 CA--C 1.534 1.252 0 N-CA-C 115.821 1.088 . . . . 0.0 115.821 177.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.41 ' HA ' ' HB3' ' A' ' 30' ' ' ALA . 16.8 m-80 -110.82 -17.41 13.35 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 119.97 1.885 . . . . 0.0 114.115 -178.683 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -55.7 -49.02 74.12 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.523 -0.736 . . . . 0.0 110.04 145.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.86 -32.79 72.21 Favored 'General case' 0 CA--C 1.549 0.91 0 O-C-N 121.205 -0.934 . . . . 0.0 112.642 171.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.41 ' HB3' ' HA ' ' A' ' 27' ' ' ASN . . . -75.68 -9.89 58.97 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 119.333 -2.104 . . . . 0.0 115.562 171.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.95 -43.48 78.98 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 120.727 1.603 . . . . 0.0 110.44 152.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -68.12 -20.21 64.89 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 177.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.405 ' CD2' ' HA ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -43.28 -50.47 6.57 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 126.447 1.899 . . . . 0.0 111.317 170.928 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -146.25 -16.57 0.44 Allowed 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.841 1.656 . . . . 0.0 115.088 -154.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 27.2 m -108.51 -44.65 4.03 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.472 1.109 . . . . 0.0 112.247 174.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -80.41 -60.99 2.26 Favored Glycine 0 N--CA 1.47 0.929 0 C-N-CA 123.501 0.572 . . . . 0.0 114.251 177.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.7 -33.6 73.36 Favored Glycine 0 CA--C 1.538 1.524 0 C-N-CA 124.95 1.262 . . . . 0.0 113.942 178.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -59.59 -31.53 69.55 Favored 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 113.585 0.958 . . . . 0.0 113.585 176.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.39 -1.77 28.58 Favored 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 124.996 1.318 . . . . 0.0 114.013 174.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.46 60.81 3.36 Favored Glycine 0 C--N 1.346 1.088 0 O-C-N 121.309 -0.869 . . . . 0.0 112.758 -170.279 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 51.0 t-105 -58.82 154.9 14.01 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 124.524 1.13 . . . . 0.0 114.048 -174.155 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -148.15 167.86 23.94 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.156 1.382 . . . . 0.0 113.91 -173.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt . . . . . 0 C--O 1.252 1.235 0 C-N-CA 126.553 1.941 . . . . 0.0 111.979 167.501 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 97.1 mttt . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 120.545 0.212 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.03 -95.54 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.728 2.011 . . . . 0.0 110.297 160.55 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.16 147.8 51.46 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 128.632 2.773 . . . . 0.0 112.151 -168.445 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.38 -85.96 0.33 Allowed Glycine 0 CA--C 1.541 1.711 0 C-N-CA 128.734 3.064 . . . . 0.0 110.3 4.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -136.85 -54.38 0.72 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 127.467 2.307 . . . . 0.0 109.823 154.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -166.42 20.56 0.1 Allowed Glycine 0 CA--C 1.535 1.308 0 C-N-CA 125.555 1.55 . . . . 0.0 114.594 169.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.271 11.3 t -53.02 -95.85 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.562 1.436 0 C-N-CA 127.667 2.387 . . . . 0.0 116.827 -146.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . 0.284 70.7 m80 106.6 23.99 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.654 0 C-N-CA 130.23 3.412 . . . . 0.0 115.573 -179.573 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 67.0 m -58.49 137.53 57.31 Favored 'General case' 0 CA--C 1.552 1.024 0 O-C-N 120.475 -1.391 . . . . 0.0 111.383 174.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.98 -53.78 2.59 Favored Glycine 0 N--CA 1.48 1.61 0 C-N-CA 124.734 1.159 . . . . 0.0 113.599 -168.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -62.89 -54.97 30.4 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.703 1.201 . . . . 0.0 111.448 -175.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 63.1 t-80 -153.75 67.73 0.76 Allowed 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 127.081 2.152 . . . . 0.0 110.967 174.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.0 m 43.27 41.01 2.78 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 127.453 2.301 . . . . 0.0 116.829 170.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.4 m 56.16 32.0 19.34 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 125.359 1.464 . . . . 0.0 112.264 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 94.3 m -64.16 97.41 0.18 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.684 1.194 . . . . 0.0 113.591 172.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.3 t -56.33 -23.41 16.36 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.829 0 C-N-CA 127.843 2.457 . . . . 0.0 113.467 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.1 t70 120.97 -25.89 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.429 1 C-N-CA 134.031 4.932 . . . . 0.0 110.915 -173.231 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.42 ' CE2' HD11 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -62.9 22.1 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 129.65 3.18 . . . . 0.0 117.151 173.171 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.21 -20.84 55.48 Favored Glycine 0 CA--C 1.546 1.977 0 O-C-N 121.106 -0.997 . . . . 0.0 113.799 178.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.4 p -69.19 -36.02 76.87 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 127.395 2.278 . . . . 0.0 113.229 168.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.79 -56.58 20.31 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.996 1.318 . . . . 0.0 109.468 170.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.42 HD11 ' CE2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -65.42 -30.69 50.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 O-C-N 121.278 -0.889 . . . . 0.0 111.863 179.155 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.22 -46.62 93.53 Favored Glycine 0 CA--C 1.534 1.268 0 C-N-CA 123.897 0.76 . . . . 0.0 113.688 168.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -63.56 -42.24 98.37 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.113 0.965 . . . . 0.0 112.598 175.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 93.5 mt -62.05 -41.56 91.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 124.178 0.991 . . . . 0.0 110.838 173.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.46 -51.65 55.0 Favored Glycine 0 N--CA 1.476 1.366 0 C-N-CA 126.036 1.779 . . . . 0.0 112.843 171.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -58.44 -41.7 85.69 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 118.269 1.035 . . . . 0.0 113.478 173.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -58.34 -45.77 87.52 Favored 'General case' 0 CA--C 1.554 1.119 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 176.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.54 -56.41 20.35 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 122.747 0.419 . . . . 0.0 110.979 170.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.3 -9.22 0.63 Allowed 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 125.507 1.523 . . . . 0.0 115.023 179.026 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -122.07 -3.72 9.05 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 117.073 2.249 . . . . 0.0 117.073 172.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -62.43 -7.76 5.02 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 120.542 -1.349 . . . . 0.0 111.172 132.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER 58.25 27.18 14.83 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.894 2.078 . . . . 0.0 110.411 -172.496 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 49.64 30.76 3.79 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 129.024 2.93 . . . . 0.0 113.514 -167.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.9 m -132.08 -52.71 0.97 Allowed 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.215 1.006 . . . . 0.0 112.332 -167.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.69 -14.08 41.87 Favored Glycine 0 CA--C 1.543 1.787 0 N-CA-C 116.822 1.489 . . . . 0.0 116.822 -178.086 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -128.49 7.66 6.61 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 125.603 1.573 . . . . 0.0 114.858 175.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -57.53 -44.15 84.88 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.546 1.538 . . . . 0.0 113.275 -166.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -94.8 -3.12 49.59 Favored 'General case' 0 C--O 1.244 0.796 0 N-CA-C 115.379 1.622 . . . . 0.0 115.379 -175.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -151.8 -2.95 0.2 Allowed Glycine 0 CA--C 1.539 1.554 0 N-CA-C 116.902 1.521 . . . . 0.0 116.902 -169.064 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 13.7 t-105 -125.72 5.52 7.44 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 119.291 1.545 . . . . 0.0 113.666 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -69.68 101.98 1.78 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.513 1.525 . . . . 0.0 111.772 176.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 55.0 tptt . . . . . 0 C--O 1.254 1.328 0 C-N-CA 125.616 1.566 . . . . 0.0 112.685 179.571 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 83.5 tttt . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 120.615 0.245 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.416 ' CG ' ' N ' ' A' ' 3' ' ' TYR . 3.6 t80 -83.24 -123.98 0.02 OUTLIER 'General case' 0 CA--C 1.563 1.445 0 C-N-CA 126.596 1.958 . . . . 0.0 110.271 168.047 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.455 ' CD2' ' HA ' ' A' ' 16' ' ' VAL . 1.0 OUTLIER 47.72 -16.51 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.786 1 C-N-CA 133.499 4.719 . . . . 0.0 118.166 -163.694 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -36.49 91.8 0.01 OUTLIER Glycine 0 N--CA 1.482 1.739 0 C-N-CA 128.718 3.056 . . . . 0.0 115.383 179.035 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 51.9 t30 38.14 68.07 0.35 Allowed 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 127.246 2.218 . . . . 0.0 114.301 -170.177 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 176.58 -40.08 0.1 Allowed Glycine 0 N--CA 1.473 1.15 0 N-CA-C 114.95 0.74 . . . . 0.0 114.95 -176.123 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.346 0.8 OUTLIER 58.84 167.6 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.559 1.303 0 C-N-CA 127.797 2.439 . . . . 0.0 113.838 165.846 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -83.82 25.53 0.79 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 118.777 -2.452 . . . . 0.0 115.085 -175.451 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 97.6 m -48.85 124.62 8.85 Favored 'General case' 0 CA--C 1.548 0.901 0 O-C-N 121.215 -0.928 . . . . 0.0 111.153 170.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.16 -39.98 1.67 Allowed Glycine 0 CA--C 1.545 1.918 0 C-N-CA 124.95 1.262 . . . . 0.0 114.63 -175.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.37 -39.98 96.01 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 125.417 1.487 . . . . 0.0 113.524 173.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -151.94 -71.38 0.16 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 126.231 1.812 . . . . 0.0 111.18 171.133 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.7 t -156.61 159.59 38.62 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.194 1.798 . . . . 0.0 111.032 174.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 84.4 m -74.81 36.67 0.11 Allowed 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.255 1.422 . . . . 0.0 114.511 177.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.45 -20.07 57.41 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 -168.755 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.455 ' HA ' ' CD2' ' A' ' 3' ' ' TYR . 0.8 OUTLIER 52.01 19.95 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 N-CA-C 115.854 1.798 . . . . 0.0 115.854 -178.895 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.3 t0 49.99 16.34 0.23 Allowed 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 127.805 2.442 . . . . 0.0 115.434 -160.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . 0.311 0.0 OUTLIER -137.21 11.07 3.03 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 117.073 2.249 . . . . 0.0 117.073 -177.867 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.37 -17.93 60.23 Favored Glycine 0 CA--C 1.538 1.498 0 O-C-N 120.675 -1.266 . . . . 0.0 112.781 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.6 p -71.38 -28.57 64.12 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.636 1.574 . . . . 0.0 113.297 166.372 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.03 -53.3 10.3 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 125.117 1.367 . . . . 0.0 111.264 176.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 12.5 pt -62.98 -35.76 72.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 CA-C-N 117.849 0.295 . . . . 0.0 110.224 173.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -53.76 -51.18 50.66 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 124.03 0.824 . . . . 0.0 113.863 168.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -60.92 -43.78 98.12 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.453 1.101 . . . . 0.0 111.998 177.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 80.4 mt -58.21 -46.78 88.57 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 C-N-CA 125.38 1.472 . . . . 0.0 111.287 173.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.18 -29.9 74.28 Favored Glycine 0 CA--C 1.542 1.729 0 C-N-CA 124.743 1.163 . . . . 0.0 114.311 175.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -90.68 -23.85 20.62 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.684 1.194 . . . . 0.0 112.921 179.347 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -64.79 -43.29 93.69 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.73 0.812 . . . . 0.0 111.368 159.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.9 -30.36 65.83 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.107 -0.995 . . . . 0.0 112.097 167.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.04 -4.46 59.17 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 173.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.07 -32.96 71.3 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.941 1.246 . . . . 0.0 111.186 150.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -91.8 8.17 38.4 Favored 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 125.769 1.627 . . . . 0.0 113.16 173.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -47.22 -34.01 5.97 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 127.513 2.325 . . . . 0.0 114.162 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.88 -26.53 36.29 Favored 'General case' 0 C--O 1.243 0.728 0 C-N-CA 125.179 1.391 . . . . 0.0 113.42 173.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.6 p -116.28 -45.96 2.81 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 126.331 1.852 . . . . 0.0 111.613 -163.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 59.97 26.75 63.63 Favored Glycine 0 CA--C 1.539 1.583 0 O-C-N 121.303 -0.873 . . . . 0.0 112.032 -162.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.32 6.35 71.22 Favored Glycine 0 CA--C 1.543 1.804 0 C-N-CA 127.838 2.637 . . . . 0.0 113.811 -166.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 54.81 -77.93 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 130.971 3.708 . . . . 0.0 112.99 -174.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -139.3 3.2 2.13 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 126.932 2.093 . . . . 0.0 114.796 178.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 145.5 29.14 0.09 OUTLIER Glycine 0 N--CA 1.477 1.416 0 CA-C-O 118.845 -0.975 . . . . 0.0 115.279 -175.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 68.9 t-105 -59.96 97.48 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 126.021 1.728 . . . . 0.0 113.308 178.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -146.39 166.01 27.63 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 125.938 1.695 . . . . 0.0 111.346 -177.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 81.0 tttt . . . . . 0 C--O 1.251 1.177 0 C-N-CA 128.857 2.863 . . . . 0.0 114.515 176.777 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.351 0.12 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -67.61 100.14 0.85 Allowed 'General case' 0 CA--C 1.547 0.857 0 O-C-N 120.4 -1.437 . . . . 0.0 108.341 170.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -65.76 -15.92 63.3 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.787 1.235 . . . . 0.0 114.134 -174.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.75 -16.3 4.28 Favored Glycine 0 CA--C 1.535 1.338 0 N-CA-C 117.334 1.693 . . . . 0.0 117.334 162.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -82.66 -56.94 3.56 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 119.138 1.469 . . . . 0.0 113.61 -176.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 173.03 36.83 0.03 OUTLIER Glycine 0 N--CA 1.47 0.947 0 C-N-CA 126.632 2.063 . . . . 0.0 111.849 -171.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -117.64 102.5 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -150.53 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -142.98 128.67 19.24 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 128.309 2.644 . . . . 0.0 108.529 176.627 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 30.6 m -54.46 -35.85 63.47 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 120.476 -1.39 . . . . 0.0 110.474 176.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 143.38 -38.1 1.42 Allowed Glycine 0 CA--C 1.543 1.794 0 C-N-CA 128.903 3.144 . . . . 0.0 109.934 -158.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -133.49 -56.97 0.9 Allowed 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 127.684 2.394 . . . . 0.0 112.4 168.241 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 60.3 t60 -74.91 -152.34 0.03 OUTLIER 'General case' 0 CA--C 1.56 1.328 0 C-N-CA 126.307 1.843 . . . . 0.0 111.067 171.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.9 m -99.1 -11.02 21.81 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 118.867 2.914 . . . . 0.0 118.867 -157.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.1 p -98.7 12.67 34.75 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 119.366 3.098 . . . . 0.0 119.366 -143.082 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.528 HG23 ' H ' ' A' ' 19' ' ' GLY . 1.0 OUTLIER -135.9 125.04 24.46 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 120.133 1.333 . . . . 0.0 112.026 -177.25 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.1 t -69.81 28.22 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 C-N-CA 127.964 2.505 . . . . 0.0 112.947 176.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 55.92 -2.6 0.03 OUTLIER 'General case' 0 CA--C 1.561 1.385 0 C-N-CA 128.865 2.866 . . . . 0.0 115.122 -158.437 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . 0.326 0.0 OUTLIER -110.59 9.64 23.03 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 127.624 2.37 . . . . 0.0 115.141 177.366 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.528 ' H ' HG23 ' A' ' 15' ' ' THR . . . -61.73 -19.49 58.43 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 124.968 1.271 . . . . 0.0 113.707 177.772 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.2 t -62.34 -39.31 92.67 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.274 1.03 . . . . 0.0 111.982 166.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.63 -60.28 2.68 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.835 2.054 . . . . 0.0 111.479 176.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.7 pt -62.93 -36.89 77.65 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.358 0 C-N-CA 119.758 -0.777 . . . . 0.0 112.945 178.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.44 -49.64 76.32 Favored Glycine 0 CA--C 1.539 1.534 0 C-N-CA 124.669 1.128 . . . . 0.0 113.091 176.109 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -60.14 -47.41 86.04 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.252 1.021 . . . . 0.0 111.23 175.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 60.8 mt -60.08 -45.63 95.41 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 C-N-CA 124.457 1.103 . . . . 0.0 111.778 176.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.42 -36.51 93.48 Favored Glycine 0 N--CA 1.47 0.945 0 O-C-N 121.045 -1.034 . . . . 0.0 114.335 178.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -87.07 -21.43 26.06 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 176.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -59.06 -51.03 71.8 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 121.405 -0.81 . . . . 0.0 109.994 159.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.05 -26.73 60.85 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 171.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.21 10.79 39.05 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 116.772 2.138 . . . . 0.0 116.772 176.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -99.39 -19.53 16.95 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.099 -1.001 . . . . 0.0 113.403 148.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -68.97 -48.84 62.18 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 118.114 -0.946 . . . . 0.0 109.741 160.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 28.47 -66.65 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.203 1 C-N-CA 133.215 4.606 . . . . 0.0 116.998 173.076 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -51.02 -26.98 6.85 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.267 1.827 . . . . 0.0 113.018 165.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.5 m -148.84 44.61 1.0 Allowed 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 129.001 2.92 . . . . 0.0 108.152 -176.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.51 73.78 0.01 OUTLIER Glycine 0 CA--C 1.536 1.394 0 C-N-CA 127.825 2.631 . . . . 0.0 113.46 179.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.55 17.8 27.88 Favored Glycine 0 CA--C 1.538 1.479 0 CA-C-N 118.055 0.927 . . . . 0.0 113.527 -155.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 32.9 t30 44.72 -40.03 0.0 OUTLIER 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 130.559 3.543 . . . . 0.0 115.173 -146.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -143.78 92.06 2.3 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 127.012 2.125 . . . . 0.0 110.951 169.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.4 18.03 14.12 Favored Glycine 0 CA--C 1.538 1.472 0 N-CA-C 117.25 1.66 . . . . 0.0 117.25 165.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 9.7 t90 61.29 22.65 12.99 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 127.434 2.293 . . . . 0.0 114.495 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -68.53 82.17 0.27 Allowed 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 124.903 1.281 . . . . 0.0 112.592 172.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 96.3 mttt . . . . . 0 C--O 1.254 1.342 0 C-N-CA 127.519 2.328 . . . . 0.0 111.368 174.677 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm . . . . . 0 N--CA 1.489 1.489 0 CA-C-O 119.561 -0.257 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -89.34 108.68 19.77 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 120.497 -1.377 . . . . 0.0 110.408 168.189 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -64.29 -5.43 5.08 Favored 'General case' 0 CA--C 1.56 1.355 0 C-N-CA 126.18 1.792 . . . . 0.0 115.243 -172.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.58 -21.64 43.16 Favored Glycine 0 CA--C 1.544 1.861 0 O-C-N 120.792 -1.193 . . . . 0.0 115.452 169.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -94.27 -36.84 11.81 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.642 1.977 . . . . 0.0 115.644 176.018 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -162.6 169.21 37.8 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 129.762 3.553 . . . . 0.0 114.106 -7.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 37.6 t -103.56 -14.49 8.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 N-CA-C 114.506 1.298 . . . . 0.0 114.506 -152.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.0 m80 48.98 78.55 0.09 Allowed 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 127.141 2.177 . . . . 0.0 113.599 -178.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.497 ' HA ' ' H ' ' A' ' 14' ' ' CYS . 1.7 t -115.91 169.51 9.18 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -178.177 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 174.23 -106.77 0.23 Allowed Glycine 0 CA--C 1.539 1.54 0 C-N-CA 125.261 1.41 . . . . 0.0 110.991 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -78.16 -52.3 8.92 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.201 1.001 . . . . 0.0 113.202 -177.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -143.16 2.45 1.31 Allowed 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 115.456 1.65 . . . . 0.0 115.456 -172.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.4 p -85.34 -92.11 0.09 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.751 1.62 . . . . 0.0 113.146 -167.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.497 ' H ' ' HA ' ' A' ' 9' ' ' CYS . 1.4 m 49.53 38.0 13.62 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 126.061 1.744 . . . . 0.0 111.684 -169.055 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 31.6 m -72.18 -24.17 61.38 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 116.257 1.947 . . . . 0.0 116.257 -165.135 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.2 t 45.67 -110.81 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 CA-C-N 120.014 1.279 . . . . 0.0 108.947 -154.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -129.73 13.63 5.88 Favored 'General case' 0 CA--C 1.561 1.366 0 C-N-CA 126.458 1.903 . . . . 0.0 112.041 154.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.473 ' CE2' HD11 ' A' ' 22' ' ' ILE 0.281 0.0 OUTLIER -138.45 12.82 2.77 Favored 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 116.473 2.027 . . . . 0.0 116.473 -168.486 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.69 -24.46 64.29 Favored Glycine 0 CA--C 1.542 1.739 0 O-C-N 120.898 -1.126 . . . . 0.0 113.224 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.4 p -60.33 -39.44 87.1 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.676 1.99 . . . . 0.0 113.19 165.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.14 -59.22 5.76 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.765 1.626 . . . . 0.0 110.036 173.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.473 HD11 ' CE2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -67.94 -29.98 46.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -175.603 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.51 -52.25 53.71 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 123.7 0.667 . . . . 0.0 111.977 169.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -58.05 -50.56 73.0 Favored 'General case' 0 C--O 1.242 0.677 0 C-N-CA 123.507 0.723 . . . . 0.0 111.958 175.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 69.8 mt -58.54 -47.33 88.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.754 1.221 . . . . 0.0 111.668 177.201 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.17 -15.23 58.34 Favored Glycine 0 CA--C 1.538 1.528 0 C-N-CA 126.195 1.855 . . . . 0.0 115.392 175.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -104.11 -24.19 13.21 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 120.97 -1.312 . . . . 0.0 112.943 175.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -61.06 -38.21 85.41 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 120.266 -1.521 . . . . 0.0 111.172 153.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.2 -42.59 91.3 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 120.995 -1.065 . . . . 0.0 111.253 166.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.04 -10.73 59.66 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 117.326 2.343 . . . . 0.0 117.326 173.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.27 -46.14 61.56 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 120.814 1.643 . . . . 0.0 110.248 154.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -68.56 -12.71 61.65 Favored 'General case' 0 CA--C 1.556 1.178 0 O-C-N 119.987 -1.696 . . . . 0.0 114.036 178.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.11 -42.33 65.88 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 126.449 1.899 . . . . 0.0 111.227 171.624 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -146.04 -24.28 0.45 Allowed 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 125.344 1.458 . . . . 0.0 113.975 -158.022 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.2 m -126.98 -29.37 2.81 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.409 1.084 . . . . 0.0 113.858 -166.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.13 -57.26 16.23 Favored Glycine 0 N--CA 1.477 1.417 0 C-N-CA 125.641 1.591 . . . . 0.0 113.986 -172.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.95 -18.5 16.43 Favored Glycine 0 N--CA 1.48 1.569 1 C-N-CA 131.014 4.149 . . . . 0.0 114.354 -7.685 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -62.89 -38.63 91.66 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 124.154 0.982 . . . . 0.0 112.399 177.004 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.14 -11.82 61.16 Favored 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 125.353 1.461 . . . . 0.0 114.819 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 139.94 56.46 0.04 OUTLIER Glycine 0 CA--C 1.535 1.325 0 C-N-CA 124.304 0.954 . . . . 0.0 114.605 -175.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 57.76 20.46 6.49 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 127.366 2.266 . . . . 0.0 116.649 164.357 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -126.63 167.48 15.63 Favored 'General case' 0 C--O 1.246 0.883 0 C-N-CA 124.661 1.184 . . . . 0.0 112.759 -177.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt . . . . . 0 C--O 1.257 1.491 0 C-N-CA 127.007 2.123 . . . . 0.0 112.335 -172.056 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 82.7 tttt . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.04 0.447 . . . . 0.0 111.509 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -75.27 107.23 7.23 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 126.027 1.731 . . . . 0.0 108.567 158.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -85.21 -23.99 28.06 Favored 'General case' 0 CA--C 1.555 1.168 0 N-CA-C 113.885 1.068 . . . . 0.0 113.885 -173.188 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.68 178.46 15.67 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 125.691 1.615 . . . . 0.0 112.394 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 40.74 -92.64 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 128.268 2.627 . . . . 0.0 114.183 -175.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -118.7 -3.07 14.3 Favored Glycine 0 N--CA 1.48 1.596 0 C-N-CA 125.654 1.597 . . . . 0.0 114.825 175.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.5 t -79.46 100.76 4.25 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 C-N-CA 127.398 2.279 . . . . 0.0 111.633 -177.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -130.76 72.86 1.51 Allowed 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.955 2.102 . . . . 0.0 111.916 -168.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 59.9 m -84.05 97.54 9.36 Favored 'General case' 0 CA--C 1.557 1.249 0 O-C-N 120.954 -1.091 . . . . 0.0 110.362 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 174.6 -88.68 0.08 OUTLIER Glycine 0 CA--C 1.544 1.865 0 C-N-CA 124.128 0.87 . . . . 0.0 113.982 177.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -68.3 -50.04 56.34 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 124.727 1.211 . . . . 0.0 110.963 168.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -77.18 166.95 22.56 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.942 1.697 . . . . 0.0 110.829 164.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.5 m -102.49 62.12 0.84 Allowed 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.537 1.135 . . . . 0.0 111.156 177.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 72.9 m 65.74 -38.3 0.27 Allowed 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 128.417 2.687 . . . . 0.0 114.879 -176.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.63 HG22 ' H ' ' A' ' 17' ' ' ASP . 59.9 m 59.17 -81.92 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 126.923 2.089 . . . . 0.0 116.014 171.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.0 t 57.67 -5.7 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 C-N-CA 127.235 2.214 . . . . 0.0 114.441 -166.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.63 ' H ' HG22 ' A' ' 15' ' ' THR . 21.9 t70 59.25 18.2 6.4 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 128.266 2.626 . . . . 0.0 113.1 -164.605 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.568 ' CE2' HD11 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -138.66 -11.86 1.34 Allowed 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 115.526 1.676 . . . . 0.0 115.526 -156.617 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.96 -31.57 81.35 Favored Glycine 0 CA--C 1.539 1.542 0 O-C-N 119.943 -1.723 . . . . 0.0 113.343 175.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.7 p -64.61 -30.3 71.32 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.358 1.463 . . . . 0.0 113.293 169.181 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.37 -60.78 3.25 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 124.401 1.08 . . . . 0.0 109.099 170.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.568 HD11 ' CE2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -64.19 -33.99 66.05 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.82 0 N-CA-C 113.032 0.752 . . . . 0.0 113.032 -175.507 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.1 -54.88 32.38 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 124.944 1.259 . . . . 0.0 112.781 170.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -62.69 -51.78 65.88 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.204 1.401 . . . . 0.0 112.559 176.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 76.0 mt -56.7 -42.56 77.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 125.912 1.685 . . . . 0.0 110.623 178.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -53.86 -65.12 3.66 Favored Glycine 0 C--O 1.24 0.518 0 C-N-CA 127.111 2.291 . . . . 0.0 113.288 176.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -72.45 -13.75 61.52 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 176.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -63.5 -55.7 21.92 Favored 'General case' 0 CA--C 1.556 1.201 0 CA-C-N 120.91 1.686 . . . . 0.0 111.137 164.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.56 -48.07 80.34 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.924 0.89 . . . . 0.0 111.714 172.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.35 0.64 7.68 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 117.114 -1.422 . . . . 0.0 113.731 174.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -101.76 -14.29 17.38 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 121.995 2.179 . . . . 0.0 113.73 165.159 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -59.42 -48.99 79.52 Favored 'General case' 0 CA--C 1.552 1.03 0 CA-C-N 119.496 1.044 . . . . 0.0 109.01 152.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . 0.27 42.3 t90 -63.97 -43.63 95.18 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 115.27 1.581 . . . . 0.0 115.27 172.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.75 -31.57 65.03 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 120.426 1.466 . . . . 0.0 112.548 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 34.9 m -138.24 -71.28 0.42 Allowed 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 118.387 -0.816 . . . . 0.0 112.788 -164.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -62.73 -28.57 71.85 Favored Glycine 0 N--CA 1.483 1.806 0 CA-C-N 119.419 1.009 . . . . 0.0 115.55 -162.103 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.28 18.44 3.71 Favored Glycine 0 CA--C 1.54 1.642 0 C-N-CA 127.094 2.283 . . . . 0.0 114.157 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -48.47 -44.88 36.04 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.364 1.465 . . . . 0.0 113.227 -170.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -114.58 4.59 15.2 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.896 1.072 . . . . 0.0 113.896 177.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -129.5 -15.39 2.0 Favored Glycine 0 CA--C 1.541 1.699 0 N-CA-C 115.709 1.044 . . . . 0.0 115.709 -168.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 45.4 m0 -122.1 162.89 20.43 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.233 1.413 . . . . 0.0 111.283 175.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . 0.301 18.4 p30 48.81 19.62 0.27 Allowed 'General case' 0 N--CA 1.484 1.243 0 N-CA-C 118.245 2.683 . . . . 0.0 118.245 179.134 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? . . . . . 0 C--O 1.26 1.656 0 C-N-CA 128.509 2.724 . . . . 0.0 112.882 173.528 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 64.3 mttm . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.772 0.32 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -71.1 145.25 49.96 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.288 1.035 . . . . 0.0 109.692 156.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -131.24 151.43 51.49 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.314 1.046 . . . . 0.0 113.273 -173.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.9 -18.09 66.07 Favored Glycine 0 N--CA 1.472 1.094 0 N-CA-C 116.857 1.503 . . . . 0.0 116.857 -169.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 49.1 p-10 -75.02 -9.13 58.24 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.418 1.487 . . . . 0.0 113.585 169.082 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 106.21 -3.49 37.82 Favored Glycine 0 C--N 1.347 1.147 0 C-N-CA 126.601 2.048 . . . . 0.0 115.181 177.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 41.7 t -68.16 153.05 9.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-N 119.162 1.481 . . . . 0.0 111.9 177.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -124.55 97.58 5.36 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 127.651 2.38 . . . . 0.0 108.832 168.154 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 90.1 m -82.15 82.59 7.65 Favored 'General case' 0 CA--C 1.547 0.861 0 O-C-N 120.931 -1.106 . . . . 0.0 111.684 174.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.19 74.7 0.83 Allowed Glycine 0 N--CA 1.476 1.335 0 C-N-CA 125.111 1.339 . . . . 0.0 111.699 169.074 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.4 mttm 66.23 -53.72 0.4 Allowed 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 128.851 2.86 . . . . 0.0 114.848 -173.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -133.52 -18.36 2.2 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 127.178 2.191 . . . . 0.0 115.536 -171.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.9 m -85.65 -34.56 21.32 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -162.417 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.0 m 42.07 54.6 4.05 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.953 2.101 . . . . 0.0 114.115 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 55.1 m -97.18 125.54 41.76 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.973 1.709 . . . . 0.0 110.462 -174.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.532 HG23 ' CZ3' ' A' ' 18' ' ' TRP . 44.4 t -70.24 -57.51 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 CA-C-O 122.944 1.354 . . . . 0.0 109.479 160.315 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -176.43 -42.41 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.442 1 C-N-CA 132.317 4.247 . . . . 0.0 107.502 179.041 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.532 ' CZ3' HG23 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -79.67 22.46 0.47 Allowed 'General case' 0 CA--C 1.561 1.397 0 C-N-CA 127.929 2.492 . . . . 0.0 116.209 177.562 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.01 -20.7 60.49 Favored Glycine 0 CA--C 1.539 1.559 0 O-C-N 119.854 -1.779 . . . . 0.0 114.135 -175.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 33.0 m -65.53 -38.11 88.7 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.912 1.285 . . . . 0.0 113.169 165.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.84 -60.15 3.64 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.589 1.156 . . . . 0.0 110.974 175.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 7.8 pt -61.87 -34.3 62.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 177.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.18 -51.86 55.93 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 125.267 1.413 . . . . 0.0 112.327 174.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -59.45 -50.53 73.58 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.3 1.04 . . . . 0.0 113.199 176.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 78.3 mt -58.31 -45.77 89.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 C-N-CA 124.077 0.951 . . . . 0.0 111.109 178.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.98 -46.81 90.91 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 125.767 1.651 . . . . 0.0 112.857 174.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -73.75 -31.19 63.22 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 118.811 1.306 . . . . 0.0 113.153 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -63.01 -43.59 98.34 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.951 0.9 . . . . 0.0 111.96 171.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.76 -47.33 81.42 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.977 -0.452 . . . . 0.0 111.953 169.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.92 -11.27 36.17 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 177.225 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -101.46 -17.96 16.21 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 120.891 1.678 . . . . 0.0 114.07 169.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -65.45 -1.79 2.79 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-O 115.023 -2.418 . . . . 0.0 112.372 142.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 32.63 -72.56 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.874 1 C-N-CA 132.247 4.219 . . . . 0.0 113.497 147.437 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.71 -31.06 35.68 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 130.156 3.382 . . . . 0.0 113.472 176.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . 0.266 0.4 OUTLIER -149.72 -25.19 0.27 Allowed 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 117.583 2.438 . . . . 0.0 117.583 159.541 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 116.46 -16.71 14.44 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 125.742 1.639 . . . . 0.0 112.877 -167.102 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -161.33 55.81 0.31 Allowed Glycine 0 N--CA 1.469 0.865 0 C-N-CA 128.812 3.101 . . . . 0.0 110.528 166.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -121.88 -86.67 0.65 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.327 1.051 . . . . 0.0 112.001 -178.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.74 -10.78 59.85 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 -171.207 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -88.94 -65.13 1.29 Allowed Glycine 0 CA--C 1.527 0.836 0 C-N-CA 123.91 0.767 . . . . 0.0 112.571 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 10.8 t-105 -126.71 15.59 7.52 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 115.335 1.606 . . . . 0.0 115.335 -165.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -132.17 31.45 4.11 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 -175.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.633 0 C-N-CA 125.857 1.663 . . . . 0.0 114.137 172.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt . . . . . 0 N--CA 1.493 1.687 0 N-CA-C 110.505 -0.183 . . . . 0.0 110.505 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 17.5 p90 -131.72 150.7 52.07 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.655 1.182 . . . . 0.0 108.951 158.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 20.4 m-30 -70.91 -10.89 60.5 Favored 'General case' 0 CA--C 1.562 1.427 0 N-CA-C 115.821 1.786 . . . . 0.0 115.821 -172.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.74 -177.26 16.37 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 126.672 2.082 . . . . 0.0 114.411 -178.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -57.31 140.09 51.02 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.0 0.92 . . . . 0.0 112.359 170.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 75.81 3.16 72.81 Favored Glycine 0 CA--C 1.531 1.077 0 CA-C-O 117.782 -1.565 . . . . 0.0 116.647 -177.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 15.4 m -141.79 -60.72 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 CA-C-N 120.382 2.091 . . . . 0.0 114.831 -177.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.2 m80 51.13 -77.43 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 129.695 3.198 . . . . 0.0 116.554 -171.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 64.38 -47.2 0.3 Allowed 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 128.164 2.585 . . . . 0.0 117.576 -175.528 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.09 -14.53 59.29 Favored Glycine 0 CA--C 1.543 1.795 0 C-N-CA 126.278 1.894 . . . . 0.0 117.082 -171.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -65.15 -51.48 60.89 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.488 1.515 . . . . 0.0 110.725 173.156 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -162.29 -53.03 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.659 1.983 . . . . 0.0 112.204 -178.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.1 t -149.42 169.97 19.63 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 128.039 2.536 . . . . 0.0 110.14 174.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 12.1 m -65.94 76.15 0.08 Allowed 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 127.386 2.275 . . . . 0.0 111.345 -176.026 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 99.3 m -75.34 -11.79 60.13 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.668 1.987 . . . . 0.0 113.043 -171.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . 0.273 4.0 m 58.35 -46.76 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 129.542 3.137 . . . . 0.0 114.542 -164.307 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.1 p30 126.76 -3.37 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.897 1 C-N-CA 134.529 5.131 . . . . 0.0 110.842 -166.424 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . 0.353 0.0 OUTLIER -96.24 11.93 32.76 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 -170.265 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.65 -18.35 58.94 Favored Glycine 0 CA--C 1.538 1.523 0 O-C-N 120.713 -1.242 . . . . 0.0 112.86 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 34.1 p -71.97 -34.23 68.8 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.257 1.423 . . . . 0.0 114.241 164.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.72 -67.99 0.38 Allowed 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.875 2.07 . . . . 0.0 110.908 175.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 pt -56.33 -40.33 65.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 124.642 1.177 . . . . 0.0 113.505 173.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -46.49 -63.65 2.97 Favored Glycine 0 CA--C 1.54 1.601 0 C-N-CA 124.828 1.204 . . . . 0.0 113.458 168.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -64.75 -36.26 83.73 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 123.97 0.908 . . . . 0.0 113.145 -179.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 81.1 mt -59.55 -50.17 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 124.524 1.13 . . . . 0.0 110.529 173.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -51.59 -50.2 43.37 Favored Glycine 0 C--N 1.342 0.891 0 C-N-CA 125.659 1.6 . . . . 0.0 113.727 172.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -52.29 -57.6 9.24 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 126.828 2.051 . . . . 0.0 112.971 170.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -64.62 -41.41 96.2 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 125.826 1.651 . . . . 0.0 108.516 -169.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.64 -45.88 74.06 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 171.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.11 -9.3 1.93 Allowed 'General case' 0 CA--C 1.547 0.838 0 CA-C-O 118.422 -0.799 . . . . 0.0 113.051 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -111.11 -71.03 0.78 Allowed 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 118.392 2.738 . . . . 0.0 118.392 148.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -66.53 -9.07 31.19 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 126.526 1.931 . . . . 0.0 114.659 -159.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -78.98 -31.18 44.79 Favored 'General case' 0 N--CA 1.449 -0.477 0 O-C-N 121.945 -0.472 . . . . 0.0 111.671 -178.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -144.76 -23.72 0.51 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.523 1.529 . . . . 0.0 114.621 -162.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.1 m -133.82 -37.35 0.92 Allowed 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 -176.34 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -76.83 -3.4 79.94 Favored Glycine 0 N--CA 1.479 1.518 0 C-N-CA 124.019 0.819 . . . . 0.0 112.041 162.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -168.22 58.07 0.21 Allowed Glycine 0 CA--C 1.526 0.729 0 C-N-CA 128.194 2.807 . . . . 0.0 112.444 -173.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -61.62 -22.05 64.9 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.085 0.954 . . . . 0.0 113.436 178.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.22 -15.37 62.91 Favored 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 125.206 1.402 . . . . 0.0 113.617 169.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.63 -22.25 4.14 Favored Glycine 0 CA--C 1.547 2.08 0 C-N-CA 127.32 2.39 . . . . 0.0 115.227 175.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 -151.15 165.99 32.2 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.795 1.638 . . . . 0.0 110.618 -179.208 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -45.69 126.21 6.74 Favored 'General case' 0 CA--C 1.559 1.296 0 C-N-CA 125.141 1.376 . . . . 0.0 113.965 -178.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.261 0 C-N-CA 126.718 2.007 . . . . 0.0 112.07 -178.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 45.4 t . . . . . 0 C--O 1.242 0.71 0 CA-C-O 121.217 0.532 . . . . 0.0 111.875 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.426 ' H ' ' H ' ' A' ' 15' ' ' THR . 2.3 m-70 -126.2 68.11 1.21 Allowed 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 126.272 1.829 . . . . 0.0 111.971 174.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 78.9 m -59.61 138.71 57.64 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.841 1.656 . . . . 0.0 114.222 -174.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -115.3 -68.53 0.45 Allowed Glycine 0 CA--C 1.544 1.874 0 C-N-CA 126.058 1.79 . . . . 0.0 111.098 168.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -143.66 -39.96 0.3 Allowed 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.518 1.127 . . . . 0.0 113.842 175.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -136.95 22.86 3.06 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 126.258 1.823 . . . . 0.0 112.913 178.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.8 p -134.08 11.44 3.91 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.515 1.526 . . . . 0.0 114.676 -149.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 88.7 m -45.51 94.01 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 127.555 2.342 . . . . 0.0 112.281 173.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.426 ' H ' ' H ' ' A' ' 8' ' ' HIS . 2.1 m -64.58 -52.95 54.94 Favored 'General case' 0 C--N 1.349 0.564 0 N-CA-C 116.256 1.947 . . . . 0.0 116.256 -145.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.6 t 63.79 -70.7 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 CA-C-N 121.389 1.904 . . . . 0.0 112.33 -170.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -173.77 -6.35 0.01 OUTLIER 'General case' 0 CA--C 1.558 1.254 1 C-N-CA 134.079 4.952 . . . . 0.0 110.485 169.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -132.94 16.04 4.23 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 127.804 2.441 . . . . 0.0 116.44 -168.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.53 -18.47 65.74 Favored Glycine 0 N--CA 1.477 1.428 0 O-C-N 119.657 -1.902 . . . . 0.0 113.67 -178.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.6 p -66.03 -36.35 83.01 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.306 1.442 . . . . 0.0 113.129 164.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.59 -62.38 1.62 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.004 1.322 . . . . 0.0 110.763 174.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 11.1 pt -59.59 -35.84 61.7 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 O-C-N 121.338 -0.851 . . . . 0.0 112.248 179.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.28 -45.9 95.26 Favored Glycine 0 CA--C 1.531 1.053 0 C-N-CA 123.48 0.562 . . . . 0.0 113.235 173.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -65.65 -46.93 77.31 Favored 'General case' 0 C--O 1.221 -0.447 0 C-N-CA 124.679 1.192 . . . . 0.0 112.015 178.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 64.1 mt -55.92 -49.6 74.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 125.947 1.699 . . . . 0.0 109.365 176.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.79 -49.07 63.21 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 125.606 1.574 . . . . 0.0 113.396 173.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.77 -22.8 60.78 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.013 1.406 . . . . 0.0 113.887 179.408 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -71.26 -38.38 71.89 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 120.036 -1.665 . . . . 0.0 111.505 171.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.3 -48.92 78.95 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 120.865 -1.147 . . . . 0.0 110.121 164.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.24 -3.59 2.94 Favored 'General case' 0 CA--C 1.556 1.199 0 N-CA-C 116.419 2.007 . . . . 0.0 116.419 171.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -121.92 11.58 10.35 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 168.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -61.03 -48.93 79.49 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 118.216 -1.394 . . . . 0.0 107.648 127.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER 65.73 -30.68 0.14 Allowed 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 127.873 2.469 . . . . 0.0 113.947 -176.049 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.563 1.449 0 C-N-CA 127.99 2.516 . . . . 0.0 113.847 137.419 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 66.1 t . . . . . 0 N--CA 1.468 0.431 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -128.63 81.11 2.01 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.447 0.699 . . . . 0.0 112.233 175.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 98.3 m -71.05 93.96 1.06 Allowed 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 122.97 0.508 . . . . 0.0 110.114 168.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 139.18 -73.14 0.41 Allowed Glycine 0 C--N 1.335 0.501 0 C-N-CA 125.55 1.548 . . . . 0.0 111.81 -178.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -60.78 -32.98 72.29 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.242 1.417 . . . . 0.0 113.9 179.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 -143.16 37.43 1.39 Allowed 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 126.026 1.73 . . . . 0.0 112.7 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.8 m 40.81 47.28 2.48 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 127.231 2.212 . . . . 0.0 116.393 173.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.4 m 71.4 74.38 0.18 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 128.486 2.715 . . . . 0.0 112.675 178.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.13 173.4 0.47 Allowed 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 126.159 1.784 . . . . 0.0 112.251 160.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.606 HG23 ' H ' ' A' ' 18' ' ' TRP . 15.5 m -105.24 -175.91 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.957 0 C-N-CA 127.242 2.217 . . . . 0.0 112.332 169.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -54.27 -24.19 17.88 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.762 2.025 . . . . 0.0 114.105 164.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.606 ' H ' HG23 ' A' ' 16' ' ' VAL 0.27 0.0 OUTLIER -76.44 11.75 1.48 Allowed 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 117.89 2.552 . . . . 0.0 117.89 -165.482 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.98 -15.1 57.77 Favored Glycine 0 CA--C 1.538 1.48 0 O-C-N 120.785 -1.197 . . . . 0.0 113.156 177.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.8 p -64.89 -43.24 93.53 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.689 1.596 . . . . 0.0 113.651 163.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.65 -64.63 0.89 Allowed 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 126.035 1.734 . . . . 0.0 110.874 178.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.4 pt -58.9 -37.82 69.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 177.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -50.0 -62.52 4.91 Favored Glycine 0 N--CA 1.475 1.258 0 C-N-CA 126.067 1.794 . . . . 0.0 112.73 171.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -61.49 -48.9 79.01 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.208 1.003 . . . . 0.0 112.896 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 70.4 mt -54.09 -52.6 35.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 125.39 1.476 . . . . 0.0 111.17 175.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.03 -23.66 69.72 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 115.886 1.115 . . . . 0.0 115.886 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.9 m-80 -99.65 -19.63 16.71 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-N 119.364 1.582 . . . . 0.0 113.373 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -66.77 -43.68 83.36 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 119.744 1.156 . . . . 0.0 111.056 155.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.79 -36.79 70.27 Favored 'General case' 0 C--N 1.341 0.239 0 O-C-N 121.411 -0.806 . . . . 0.0 110.975 170.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.53 -9.18 58.57 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 116.432 2.012 . . . . 0.0 116.432 176.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.11 -25.29 64.33 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 120.508 -1.37 . . . . 0.0 111.709 153.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -101.05 6.33 43.34 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 127.139 2.176 . . . . 0.0 113.536 174.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -46.23 -42.25 14.0 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 127.589 2.356 . . . . 0.0 113.032 178.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.402 0 C-N-CA 125.57 1.548 . . . . 0.0 113.792 -178.006 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.6 p . . . . . 0 N--CA 1.473 0.715 0 CA-C-O 123.393 1.568 . . . . 0.0 111.609 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -129.75 53.75 1.89 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 128.093 2.557 . . . . 0.0 110.922 -166.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.7 t -56.99 110.68 0.86 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 127.356 2.262 . . . . 0.0 113.373 -167.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.72 -24.2 0.23 Allowed Glycine 0 CA--C 1.533 1.163 0 C-N-CA 124.652 1.12 . . . . 0.0 115.787 178.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -61.11 -59.85 4.7 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.926 1.291 . . . . 0.0 111.706 176.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -136.7 -54.43 0.72 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 127.05 2.14 . . . . 0.0 110.769 171.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.4 m -138.24 179.68 6.31 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 127.739 2.416 . . . . 0.0 111.125 178.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 86.8 m -67.76 100.96 0.98 Allowed 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.773 0.829 . . . . 0.0 111.243 174.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.2 m -50.74 -36.41 36.33 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 126.961 2.104 . . . . 0.0 115.009 -159.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.718 HG23 ' CE3' ' A' ' 18' ' ' TRP 0.367 2.8 p -140.72 73.67 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-O 122.8 1.286 . . . . 0.0 113.917 154.64 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -84.85 14.47 4.78 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 114.372 -1.286 . . . . 0.0 111.429 129.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.718 ' CE3' HG23 ' A' ' 16' ' ' VAL 0.275 0.0 OUTLIER -75.82 17.65 0.3 Allowed 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 127.894 2.477 . . . . 0.0 115.548 -148.772 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.39 -14.62 60.09 Favored Glycine 0 CA--C 1.553 2.431 0 O-C-N 119.404 -2.06 . . . . 0.0 112.893 -177.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.9 p -65.23 -40.78 94.55 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 126.267 1.827 . . . . 0.0 112.965 161.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.53 -62.2 1.66 Allowed 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 126.667 1.987 . . . . 0.0 111.391 178.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.5 pt -60.81 -41.42 88.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 O-C-N 121.37 -0.831 . . . . 0.0 112.014 177.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -51.06 -56.01 16.24 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 126.7 2.095 . . . . 0.0 113.025 171.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -58.06 -49.87 75.39 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.993 1.317 . . . . 0.0 113.152 175.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 78.0 mt -55.28 -48.63 76.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 O-C-N 121.482 -0.761 . . . . 0.0 110.194 176.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.13 -15.7 65.65 Favored Glycine 0 CA--C 1.534 1.252 0 N-CA-C 115.821 1.088 . . . . 0.0 115.821 177.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.41 ' HA ' ' HB3' ' A' ' 30' ' ' ALA . 16.8 m-80 -110.82 -17.41 13.35 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 119.97 1.885 . . . . 0.0 114.115 -178.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -55.7 -49.02 74.12 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.523 -0.736 . . . . 0.0 110.04 145.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.86 -32.79 72.21 Favored 'General case' 0 CA--C 1.549 0.91 0 O-C-N 121.205 -0.934 . . . . 0.0 112.642 171.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.41 ' HB3' ' HA ' ' A' ' 27' ' ' ASN . . . -75.68 -9.89 58.97 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 119.333 -2.104 . . . . 0.0 115.562 171.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.95 -43.48 78.98 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 120.727 1.603 . . . . 0.0 110.44 152.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -68.12 -20.21 64.89 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 177.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.405 ' CD2' ' HA ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -43.28 -50.47 6.57 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 126.447 1.899 . . . . 0.0 111.317 170.928 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.8 0 C-N-CA 125.841 1.656 . . . . 0.0 115.088 -154.385 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.271 11.3 t . . . . . 0 CA--C 1.562 1.436 0 N-CA-C 116.827 2.158 . . . . 0.0 116.827 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . 0.284 70.7 m80 106.6 23.99 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.654 0 C-N-CA 130.23 3.412 . . . . 0.0 115.573 -179.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 67.0 m -58.49 137.53 57.31 Favored 'General case' 0 CA--C 1.552 1.024 0 O-C-N 120.475 -1.391 . . . . 0.0 111.383 174.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.98 -53.78 2.59 Favored Glycine 0 N--CA 1.48 1.61 0 C-N-CA 124.734 1.159 . . . . 0.0 113.599 -168.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -62.89 -54.97 30.4 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.703 1.201 . . . . 0.0 111.448 -175.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 63.1 t-80 -153.75 67.73 0.76 Allowed 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 127.081 2.152 . . . . 0.0 110.967 174.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.0 m 43.27 41.01 2.78 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 127.453 2.301 . . . . 0.0 116.829 170.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.4 m 56.16 32.0 19.34 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 125.359 1.464 . . . . 0.0 112.264 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 94.3 m -64.16 97.41 0.18 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.684 1.194 . . . . 0.0 113.591 172.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.3 t -56.33 -23.41 16.36 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.829 0 C-N-CA 127.843 2.457 . . . . 0.0 113.467 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.1 t70 120.97 -25.89 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.429 1 C-N-CA 134.031 4.932 . . . . 0.0 110.915 -173.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.42 ' CE2' HD11 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -62.9 22.1 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 129.65 3.18 . . . . 0.0 117.151 173.171 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.21 -20.84 55.48 Favored Glycine 0 CA--C 1.546 1.977 0 O-C-N 121.106 -0.997 . . . . 0.0 113.799 178.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.4 p -69.19 -36.02 76.87 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 127.395 2.278 . . . . 0.0 113.229 168.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.79 -56.58 20.31 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.996 1.318 . . . . 0.0 109.468 170.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.42 HD11 ' CE2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -65.42 -30.69 50.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 O-C-N 121.278 -0.889 . . . . 0.0 111.863 179.155 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.22 -46.62 93.53 Favored Glycine 0 CA--C 1.534 1.268 0 C-N-CA 123.897 0.76 . . . . 0.0 113.688 168.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -63.56 -42.24 98.37 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.113 0.965 . . . . 0.0 112.598 175.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 93.5 mt -62.05 -41.56 91.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 124.178 0.991 . . . . 0.0 110.838 173.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.46 -51.65 55.0 Favored Glycine 0 N--CA 1.476 1.366 0 C-N-CA 126.036 1.779 . . . . 0.0 112.843 171.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -58.44 -41.7 85.69 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 118.269 1.035 . . . . 0.0 113.478 173.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -58.34 -45.77 87.52 Favored 'General case' 0 CA--C 1.554 1.119 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 176.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.54 -56.41 20.35 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 122.747 0.419 . . . . 0.0 110.979 170.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.3 -9.22 0.63 Allowed 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 125.507 1.523 . . . . 0.0 115.023 179.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -122.07 -3.72 9.05 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 117.073 2.249 . . . . 0.0 117.073 172.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -62.43 -7.76 5.02 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 120.542 -1.349 . . . . 0.0 111.172 132.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER 58.25 27.18 14.83 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.894 2.078 . . . . 0.0 110.411 -172.496 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.631 0 C-N-CA 129.024 2.93 . . . . 0.0 113.514 -167.209 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.346 0.8 OUTLIER . . . . . 0 CA--C 1.559 1.303 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -83.82 25.53 0.79 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 118.777 -2.452 . . . . 0.0 115.085 -175.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 97.6 m -48.85 124.62 8.85 Favored 'General case' 0 CA--C 1.548 0.901 0 O-C-N 121.215 -0.928 . . . . 0.0 111.153 170.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.16 -39.98 1.67 Allowed Glycine 0 CA--C 1.545 1.918 0 C-N-CA 124.95 1.262 . . . . 0.0 114.63 -175.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.37 -39.98 96.01 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 125.417 1.487 . . . . 0.0 113.524 173.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -151.94 -71.38 0.16 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 126.231 1.812 . . . . 0.0 111.18 171.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.7 t -156.61 159.59 38.62 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.194 1.798 . . . . 0.0 111.032 174.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 84.4 m -74.81 36.67 0.11 Allowed 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.255 1.422 . . . . 0.0 114.511 177.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.45 -20.07 57.41 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 -168.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER 52.01 19.95 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 N-CA-C 115.854 1.798 . . . . 0.0 115.854 -178.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.3 t0 49.99 16.34 0.23 Allowed 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 127.805 2.442 . . . . 0.0 115.434 -160.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . 0.311 0.0 OUTLIER -137.21 11.07 3.03 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 117.073 2.249 . . . . 0.0 117.073 -177.867 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.37 -17.93 60.23 Favored Glycine 0 CA--C 1.538 1.498 0 O-C-N 120.675 -1.266 . . . . 0.0 112.781 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.6 p -71.38 -28.57 64.12 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.636 1.574 . . . . 0.0 113.297 166.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.03 -53.3 10.3 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 125.117 1.367 . . . . 0.0 111.264 176.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 12.5 pt -62.98 -35.76 72.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 CA-C-N 117.849 0.295 . . . . 0.0 110.224 173.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -53.76 -51.18 50.66 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 124.03 0.824 . . . . 0.0 113.863 168.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -60.92 -43.78 98.12 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.453 1.101 . . . . 0.0 111.998 177.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 80.4 mt -58.21 -46.78 88.57 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 C-N-CA 125.38 1.472 . . . . 0.0 111.287 173.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.18 -29.9 74.28 Favored Glycine 0 CA--C 1.542 1.729 0 C-N-CA 124.743 1.163 . . . . 0.0 114.311 175.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -90.68 -23.85 20.62 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.684 1.194 . . . . 0.0 112.921 179.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -64.79 -43.29 93.69 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.73 0.812 . . . . 0.0 111.368 159.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.9 -30.36 65.83 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.107 -0.995 . . . . 0.0 112.097 167.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.04 -4.46 59.17 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 173.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.07 -32.96 71.3 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.941 1.246 . . . . 0.0 111.186 150.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -91.8 8.17 38.4 Favored 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 125.769 1.627 . . . . 0.0 113.16 173.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -47.22 -34.01 5.97 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 127.513 2.325 . . . . 0.0 114.162 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.728 0 C-N-CA 125.179 1.391 . . . . 0.0 113.42 173.406 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.484 1.249 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -142.98 128.67 19.24 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 128.309 2.644 . . . . 0.0 108.529 176.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 30.6 m -54.46 -35.85 63.47 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 120.476 -1.39 . . . . 0.0 110.474 176.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 143.38 -38.1 1.42 Allowed Glycine 0 CA--C 1.543 1.794 0 C-N-CA 128.903 3.144 . . . . 0.0 109.934 -158.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -133.49 -56.97 0.9 Allowed 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 127.684 2.394 . . . . 0.0 112.4 168.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 60.3 t60 -74.91 -152.34 0.03 OUTLIER 'General case' 0 CA--C 1.56 1.328 0 C-N-CA 126.307 1.843 . . . . 0.0 111.067 171.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.9 m -99.1 -11.02 21.81 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 118.867 2.914 . . . . 0.0 118.867 -157.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.1 p -98.7 12.67 34.75 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 119.366 3.098 . . . . 0.0 119.366 -143.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.528 HG23 ' H ' ' A' ' 19' ' ' GLY . 1.0 OUTLIER -135.9 125.04 24.46 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 120.133 1.333 . . . . 0.0 112.026 -177.25 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.1 t -69.81 28.22 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 C-N-CA 127.964 2.505 . . . . 0.0 112.947 176.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 55.92 -2.6 0.03 OUTLIER 'General case' 0 CA--C 1.561 1.385 0 C-N-CA 128.865 2.866 . . . . 0.0 115.122 -158.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . 0.326 0.0 OUTLIER -110.59 9.64 23.03 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 127.624 2.37 . . . . 0.0 115.141 177.366 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.528 ' H ' HG23 ' A' ' 15' ' ' THR . . . -61.73 -19.49 58.43 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 124.968 1.271 . . . . 0.0 113.707 177.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.2 t -62.34 -39.31 92.67 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.274 1.03 . . . . 0.0 111.982 166.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.63 -60.28 2.68 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.835 2.054 . . . . 0.0 111.479 176.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.7 pt -62.93 -36.89 77.65 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.358 0 C-N-CA 119.758 -0.777 . . . . 0.0 112.945 178.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.44 -49.64 76.32 Favored Glycine 0 CA--C 1.539 1.534 0 C-N-CA 124.669 1.128 . . . . 0.0 113.091 176.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -60.14 -47.41 86.04 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.252 1.021 . . . . 0.0 111.23 175.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 60.8 mt -60.08 -45.63 95.41 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 C-N-CA 124.457 1.103 . . . . 0.0 111.778 176.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.42 -36.51 93.48 Favored Glycine 0 N--CA 1.47 0.945 0 O-C-N 121.045 -1.034 . . . . 0.0 114.335 178.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -87.07 -21.43 26.06 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 176.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -59.06 -51.03 71.8 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 121.405 -0.81 . . . . 0.0 109.994 159.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.05 -26.73 60.85 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 171.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.21 10.79 39.05 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 116.772 2.138 . . . . 0.0 116.772 176.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -99.39 -19.53 16.95 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.099 -1.001 . . . . 0.0 113.403 148.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -68.97 -48.84 62.18 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 118.114 -0.946 . . . . 0.0 109.741 160.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 28.47 -66.65 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.203 1 C-N-CA 133.215 4.606 . . . . 0.0 116.998 173.076 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.785 0 C-N-CA 126.267 1.827 . . . . 0.0 113.018 165.92 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 37.6 t . . . . . 0 CA--C 1.534 0.358 0 N-CA-C 114.506 1.298 . . . . 0.0 114.506 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.0 m80 48.98 78.55 0.09 Allowed 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 127.141 2.177 . . . . 0.0 113.599 -178.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.497 ' HA ' ' H ' ' A' ' 14' ' ' CYS . 1.7 t -115.91 169.51 9.18 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -178.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 174.23 -106.77 0.23 Allowed Glycine 0 CA--C 1.539 1.54 0 C-N-CA 125.261 1.41 . . . . 0.0 110.991 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -78.16 -52.3 8.92 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.201 1.001 . . . . 0.0 113.202 -177.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -143.16 2.45 1.31 Allowed 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 115.456 1.65 . . . . 0.0 115.456 -172.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.4 p -85.34 -92.11 0.09 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.751 1.62 . . . . 0.0 113.146 -167.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.497 ' H ' ' HA ' ' A' ' 9' ' ' CYS . 1.4 m 49.53 38.0 13.62 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 126.061 1.744 . . . . 0.0 111.684 -169.055 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 31.6 m -72.18 -24.17 61.38 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 116.257 1.947 . . . . 0.0 116.257 -165.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.2 t 45.67 -110.81 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 CA-C-N 120.014 1.279 . . . . 0.0 108.947 -154.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -129.73 13.63 5.88 Favored 'General case' 0 CA--C 1.561 1.366 0 C-N-CA 126.458 1.903 . . . . 0.0 112.041 154.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.473 ' CE2' HD11 ' A' ' 22' ' ' ILE 0.281 0.0 OUTLIER -138.45 12.82 2.77 Favored 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 116.473 2.027 . . . . 0.0 116.473 -168.486 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.69 -24.46 64.29 Favored Glycine 0 CA--C 1.542 1.739 0 O-C-N 120.898 -1.126 . . . . 0.0 113.224 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.4 p -60.33 -39.44 87.1 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.676 1.99 . . . . 0.0 113.19 165.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.14 -59.22 5.76 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.765 1.626 . . . . 0.0 110.036 173.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.473 HD11 ' CE2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -67.94 -29.98 46.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -175.603 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.51 -52.25 53.71 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 123.7 0.667 . . . . 0.0 111.977 169.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -58.05 -50.56 73.0 Favored 'General case' 0 C--O 1.242 0.677 0 C-N-CA 123.507 0.723 . . . . 0.0 111.958 175.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 69.8 mt -58.54 -47.33 88.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.754 1.221 . . . . 0.0 111.668 177.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.17 -15.23 58.34 Favored Glycine 0 CA--C 1.538 1.528 0 C-N-CA 126.195 1.855 . . . . 0.0 115.392 175.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -104.11 -24.19 13.21 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 120.97 -1.312 . . . . 0.0 112.943 175.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -61.06 -38.21 85.41 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 120.266 -1.521 . . . . 0.0 111.172 153.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.2 -42.59 91.3 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 120.995 -1.065 . . . . 0.0 111.253 166.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.04 -10.73 59.66 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 117.326 2.343 . . . . 0.0 117.326 173.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.27 -46.14 61.56 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 120.814 1.643 . . . . 0.0 110.248 154.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -68.56 -12.71 61.65 Favored 'General case' 0 CA--C 1.556 1.178 0 O-C-N 119.987 -1.696 . . . . 0.0 114.036 178.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.11 -42.33 65.88 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 126.449 1.899 . . . . 0.0 111.227 171.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.315 0 C-N-CA 125.344 1.458 . . . . 0.0 113.975 -158.022 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.5 t . . . . . 0 CA--C 1.54 0.585 0 CA-C-O 121.335 0.588 . . . . 0.0 111.633 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -130.76 72.86 1.51 Allowed 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.955 2.102 . . . . 0.0 111.916 -168.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 59.9 m -84.05 97.54 9.36 Favored 'General case' 0 CA--C 1.557 1.249 0 O-C-N 120.954 -1.091 . . . . 0.0 110.362 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 174.6 -88.68 0.08 OUTLIER Glycine 0 CA--C 1.544 1.865 0 C-N-CA 124.128 0.87 . . . . 0.0 113.982 177.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -68.3 -50.04 56.34 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 124.727 1.211 . . . . 0.0 110.963 168.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -77.18 166.95 22.56 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.942 1.697 . . . . 0.0 110.829 164.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.5 m -102.49 62.12 0.84 Allowed 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.537 1.135 . . . . 0.0 111.156 177.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 72.9 m 65.74 -38.3 0.27 Allowed 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 128.417 2.687 . . . . 0.0 114.879 -176.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.63 HG22 ' H ' ' A' ' 17' ' ' ASP . 59.9 m 59.17 -81.92 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 126.923 2.089 . . . . 0.0 116.014 171.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.0 t 57.67 -5.7 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 C-N-CA 127.235 2.214 . . . . 0.0 114.441 -166.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.63 ' H ' HG22 ' A' ' 15' ' ' THR . 21.9 t70 59.25 18.2 6.4 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 128.266 2.626 . . . . 0.0 113.1 -164.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.568 ' CE2' HD11 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -138.66 -11.86 1.34 Allowed 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 115.526 1.676 . . . . 0.0 115.526 -156.617 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.96 -31.57 81.35 Favored Glycine 0 CA--C 1.539 1.542 0 O-C-N 119.943 -1.723 . . . . 0.0 113.343 175.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.7 p -64.61 -30.3 71.32 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.358 1.463 . . . . 0.0 113.293 169.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.37 -60.78 3.25 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 124.401 1.08 . . . . 0.0 109.099 170.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.568 HD11 ' CE2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -64.19 -33.99 66.05 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.82 0 N-CA-C 113.032 0.752 . . . . 0.0 113.032 -175.507 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.1 -54.88 32.38 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 124.944 1.259 . . . . 0.0 112.781 170.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -62.69 -51.78 65.88 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.204 1.401 . . . . 0.0 112.559 176.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 76.0 mt -56.7 -42.56 77.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 125.912 1.685 . . . . 0.0 110.623 178.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -53.86 -65.12 3.66 Favored Glycine 0 C--O 1.24 0.518 0 C-N-CA 127.111 2.291 . . . . 0.0 113.288 176.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -72.45 -13.75 61.52 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 176.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -63.5 -55.7 21.92 Favored 'General case' 0 CA--C 1.556 1.201 0 CA-C-N 120.91 1.686 . . . . 0.0 111.137 164.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.56 -48.07 80.34 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.924 0.89 . . . . 0.0 111.714 172.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.35 0.64 7.68 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 117.114 -1.422 . . . . 0.0 113.731 174.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -101.76 -14.29 17.38 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 121.995 2.179 . . . . 0.0 113.73 165.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -59.42 -48.99 79.52 Favored 'General case' 0 CA--C 1.552 1.03 0 CA-C-N 119.496 1.044 . . . . 0.0 109.01 152.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . 0.27 42.3 t90 -63.97 -43.63 95.18 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 115.27 1.581 . . . . 0.0 115.27 172.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.576 0 CA-C-N 120.426 1.466 . . . . 0.0 112.548 179.816 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 41.7 t . . . . . 0 N--CA 1.471 0.592 0 CA-C-O 121.907 0.86 . . . . 0.0 111.9 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -124.55 97.58 5.36 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 127.651 2.38 . . . . 0.0 108.832 168.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 90.1 m -82.15 82.59 7.65 Favored 'General case' 0 CA--C 1.547 0.861 0 O-C-N 120.931 -1.106 . . . . 0.0 111.684 174.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.19 74.7 0.83 Allowed Glycine 0 N--CA 1.476 1.335 0 C-N-CA 125.111 1.339 . . . . 0.0 111.699 169.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.4 mttm 66.23 -53.72 0.4 Allowed 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 128.851 2.86 . . . . 0.0 114.848 -173.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -133.52 -18.36 2.2 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 127.178 2.191 . . . . 0.0 115.536 -171.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.9 m -85.65 -34.56 21.32 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -162.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.0 m 42.07 54.6 4.05 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.953 2.101 . . . . 0.0 114.115 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 55.1 m -97.18 125.54 41.76 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.973 1.709 . . . . 0.0 110.462 -174.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.532 HG23 ' CZ3' ' A' ' 18' ' ' TRP . 44.4 t -70.24 -57.51 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 CA-C-O 122.944 1.354 . . . . 0.0 109.479 160.315 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -176.43 -42.41 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.442 1 C-N-CA 132.317 4.247 . . . . 0.0 107.502 179.041 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.532 ' CZ3' HG23 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -79.67 22.46 0.47 Allowed 'General case' 0 CA--C 1.561 1.397 0 C-N-CA 127.929 2.492 . . . . 0.0 116.209 177.562 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.01 -20.7 60.49 Favored Glycine 0 CA--C 1.539 1.559 0 O-C-N 119.854 -1.779 . . . . 0.0 114.135 -175.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 33.0 m -65.53 -38.11 88.7 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.912 1.285 . . . . 0.0 113.169 165.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.84 -60.15 3.64 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.589 1.156 . . . . 0.0 110.974 175.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 7.8 pt -61.87 -34.3 62.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 177.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.18 -51.86 55.93 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 125.267 1.413 . . . . 0.0 112.327 174.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -59.45 -50.53 73.58 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.3 1.04 . . . . 0.0 113.199 176.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 78.3 mt -58.31 -45.77 89.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 C-N-CA 124.077 0.951 . . . . 0.0 111.109 178.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.98 -46.81 90.91 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 125.767 1.651 . . . . 0.0 112.857 174.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -73.75 -31.19 63.22 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 118.811 1.306 . . . . 0.0 113.153 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -63.01 -43.59 98.34 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.951 0.9 . . . . 0.0 111.96 171.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.76 -47.33 81.42 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.977 -0.452 . . . . 0.0 111.953 169.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.92 -11.27 36.17 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 177.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -101.46 -17.96 16.21 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 120.891 1.678 . . . . 0.0 114.07 169.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -65.45 -1.79 2.79 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-O 115.023 -2.418 . . . . 0.0 112.372 142.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 32.63 -72.56 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.874 1 C-N-CA 132.247 4.219 . . . . 0.0 113.497 147.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.781 0 C-N-CA 130.156 3.382 . . . . 0.0 113.472 176.586 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 15.4 m . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.2 m80 51.13 -77.43 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 129.695 3.198 . . . . 0.0 116.554 -171.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 64.38 -47.2 0.3 Allowed 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 128.164 2.585 . . . . 0.0 117.576 -175.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.09 -14.53 59.29 Favored Glycine 0 CA--C 1.543 1.795 0 C-N-CA 126.278 1.894 . . . . 0.0 117.082 -171.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -65.15 -51.48 60.89 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.488 1.515 . . . . 0.0 110.725 173.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -162.29 -53.03 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.659 1.983 . . . . 0.0 112.204 -178.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.1 t -149.42 169.97 19.63 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 128.039 2.536 . . . . 0.0 110.14 174.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 12.1 m -65.94 76.15 0.08 Allowed 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 127.386 2.275 . . . . 0.0 111.345 -176.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 99.3 m -75.34 -11.79 60.13 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.668 1.987 . . . . 0.0 113.043 -171.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . 0.273 4.0 m 58.35 -46.76 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 129.542 3.137 . . . . 0.0 114.542 -164.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.1 p30 126.76 -3.37 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.897 1 C-N-CA 134.529 5.131 . . . . 0.0 110.842 -166.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . 0.353 0.0 OUTLIER -96.24 11.93 32.76 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 -170.265 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.65 -18.35 58.94 Favored Glycine 0 CA--C 1.538 1.523 0 O-C-N 120.713 -1.242 . . . . 0.0 112.86 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 34.1 p -71.97 -34.23 68.8 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.257 1.423 . . . . 0.0 114.241 164.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.72 -67.99 0.38 Allowed 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.875 2.07 . . . . 0.0 110.908 175.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 pt -56.33 -40.33 65.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 124.642 1.177 . . . . 0.0 113.505 173.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -46.49 -63.65 2.97 Favored Glycine 0 CA--C 1.54 1.601 0 C-N-CA 124.828 1.204 . . . . 0.0 113.458 168.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -64.75 -36.26 83.73 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 123.97 0.908 . . . . 0.0 113.145 -179.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 81.1 mt -59.55 -50.17 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 124.524 1.13 . . . . 0.0 110.529 173.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -51.59 -50.2 43.37 Favored Glycine 0 C--N 1.342 0.891 0 C-N-CA 125.659 1.6 . . . . 0.0 113.727 172.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -52.29 -57.6 9.24 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 126.828 2.051 . . . . 0.0 112.971 170.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -64.62 -41.41 96.2 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 125.826 1.651 . . . . 0.0 108.516 -169.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.64 -45.88 74.06 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 171.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.11 -9.3 1.93 Allowed 'General case' 0 CA--C 1.547 0.838 0 CA-C-O 118.422 -0.799 . . . . 0.0 113.051 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -111.11 -71.03 0.78 Allowed 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 118.392 2.738 . . . . 0.0 118.392 148.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -66.53 -9.07 31.19 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 126.526 1.931 . . . . 0.0 114.659 -159.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -78.98 -31.18 44.79 Favored 'General case' 0 N--CA 1.449 -0.477 0 O-C-N 121.945 -0.472 . . . . 0.0 111.671 -178.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.451 0 C-N-CA 125.523 1.529 . . . . 0.0 114.621 -162.665 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 46.4 tptt . . . . . 0 N--CA 1.489 1.482 0 CA-C-O 122.458 1.123 . . . . 0.0 111.899 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -74.7 115.4 14.23 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 127.074 2.15 . . . . 0.0 110.124 165.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -95.87 -27.08 15.36 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 177.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.09 177.81 15.05 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 125.672 1.606 . . . . 0.0 113.107 -176.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 48.17 -87.01 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 127.037 2.135 . . . . 0.0 114.69 -169.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -129.9 2.51 5.97 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 125.187 1.375 . . . . 0.0 113.891 173.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 45.4 t -86.53 112.54 22.99 Favored 'Isoleucine or valine' 0 C--O 1.242 0.71 0 CA-C-N 120.067 1.933 . . . . 0.0 111.875 -170.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.426 ' H ' ' H ' ' A' ' 15' ' ' THR . 2.3 m-70 -126.2 68.11 1.21 Allowed 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 126.272 1.829 . . . . 0.0 111.971 174.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 78.9 m -59.61 138.71 57.64 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.841 1.656 . . . . 0.0 114.222 -174.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -115.3 -68.53 0.45 Allowed Glycine 0 CA--C 1.544 1.874 0 C-N-CA 126.058 1.79 . . . . 0.0 111.098 168.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -143.66 -39.96 0.3 Allowed 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.518 1.127 . . . . 0.0 113.842 175.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -136.95 22.86 3.06 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 126.258 1.823 . . . . 0.0 112.913 178.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.8 p -134.08 11.44 3.91 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.515 1.526 . . . . 0.0 114.676 -149.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 88.7 m -45.51 94.01 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 127.555 2.342 . . . . 0.0 112.281 173.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.426 ' H ' ' H ' ' A' ' 8' ' ' HIS . 2.1 m -64.58 -52.95 54.94 Favored 'General case' 0 C--N 1.349 0.564 0 N-CA-C 116.256 1.947 . . . . 0.0 116.256 -145.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.6 t 63.79 -70.7 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 CA-C-N 121.389 1.904 . . . . 0.0 112.33 -170.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -173.77 -6.35 0.01 OUTLIER 'General case' 0 CA--C 1.558 1.254 1 C-N-CA 134.079 4.952 . . . . 0.0 110.485 169.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -132.94 16.04 4.23 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 127.804 2.441 . . . . 0.0 116.44 -168.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.53 -18.47 65.74 Favored Glycine 0 N--CA 1.477 1.428 0 O-C-N 119.657 -1.902 . . . . 0.0 113.67 -178.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.6 p -66.03 -36.35 83.01 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.306 1.442 . . . . 0.0 113.129 164.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.59 -62.38 1.62 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.004 1.322 . . . . 0.0 110.763 174.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 11.1 pt -59.59 -35.84 61.7 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 O-C-N 121.338 -0.851 . . . . 0.0 112.248 179.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.28 -45.9 95.26 Favored Glycine 0 CA--C 1.531 1.053 0 C-N-CA 123.48 0.562 . . . . 0.0 113.235 173.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -65.65 -46.93 77.31 Favored 'General case' 0 C--O 1.221 -0.447 0 C-N-CA 124.679 1.192 . . . . 0.0 112.015 178.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 64.1 mt -55.92 -49.6 74.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 125.947 1.699 . . . . 0.0 109.365 176.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.79 -49.07 63.21 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 125.606 1.574 . . . . 0.0 113.396 173.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.77 -22.8 60.78 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.013 1.406 . . . . 0.0 113.887 179.408 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -71.26 -38.38 71.89 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 120.036 -1.665 . . . . 0.0 111.505 171.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.3 -48.92 78.95 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 120.865 -1.147 . . . . 0.0 110.121 164.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.24 -3.59 2.94 Favored 'General case' 0 CA--C 1.556 1.199 0 N-CA-C 116.419 2.007 . . . . 0.0 116.419 171.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -121.92 11.58 10.35 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 168.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.402 ' HB2' ' H ' ' A' ' 36' ' ' GLY . 1.5 m-80 -61.03 -48.93 79.49 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 118.216 -1.394 . . . . 0.0 107.648 127.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER 65.73 -30.68 0.14 Allowed 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 127.873 2.469 . . . . 0.0 113.947 -176.049 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.68 -9.65 2.92 Favored 'General case' 0 CA--C 1.563 1.449 0 C-N-CA 127.99 2.516 . . . . 0.0 113.847 137.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . 0.356 98.4 m 80.79 69.67 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 114.803 1.409 . . . . 0.0 114.803 154.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.402 ' H ' ' HB2' ' A' ' 32' ' ' ASN . . . 58.59 13.25 16.53 Favored Glycine 0 CA--C 1.544 1.852 0 O-C-N 120.676 -1.265 . . . . 0.0 114.535 -175.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 99.92 10.67 45.53 Favored Glycine 0 CA--C 1.543 1.789 0 C-N-CA 125.469 1.509 . . . . 0.0 114.013 -169.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -51.06 -48.37 61.59 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.803 1.801 . . . . 0.0 113.728 176.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.28 11.2 19.6 Favored 'General case' 0 CA--C 1.556 1.176 0 C-N-CA 125.135 1.374 . . . . 0.0 112.678 176.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.88 -2.13 81.37 Favored Glycine 0 CA--C 1.549 2.197 0 C-N-CA 125.73 1.633 . . . . 0.0 114.88 -173.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 9.3 t90 41.47 44.75 2.58 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 126.566 1.946 . . . . 0.0 114.461 -174.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -57.2 118.15 4.78 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 126.657 1.983 . . . . 0.0 113.105 -175.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 66.0 mttm . . . . . 0 C--O 1.261 1.709 0 C-N-CA 126.646 1.978 . . . . 0.0 111.075 176.274 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 64.4 tttp . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -81.15 -8.16 59.71 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 115.965 1.839 . . . . 0.0 115.965 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . 0.255 54.8 m-85 100.56 -82.32 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.983 1 C-N-CA 132.027 4.131 . . . . 0.0 113.18 174.247 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.1 172.26 13.44 Favored Glycine 0 CA--C 1.541 1.701 0 C-N-CA 125.664 1.602 . . . . 0.0 115.654 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 59.5 t30 31.7 73.6 0.06 Allowed 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 129.161 2.985 . . . . 0.0 117.321 174.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.414 ' H ' ' HA ' ' A' ' 17' ' ' ASP . . . -107.62 16.39 37.32 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 129.323 3.344 . . . . 0.0 111.702 -9.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 66.1 t -60.76 119.04 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 C-N-CA 128.998 2.919 . . . . 0.0 110.417 -172.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -128.63 81.11 2.01 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.447 0.699 . . . . 0.0 112.233 175.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 98.3 m -71.05 93.96 1.06 Allowed 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 122.97 0.508 . . . . 0.0 110.114 168.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 139.18 -73.14 0.41 Allowed Glycine 0 C--N 1.335 0.501 0 C-N-CA 125.55 1.548 . . . . 0.0 111.81 -178.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -60.78 -32.98 72.29 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.242 1.417 . . . . 0.0 113.9 179.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 -143.16 37.43 1.39 Allowed 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 126.026 1.73 . . . . 0.0 112.7 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.8 m 40.81 47.28 2.48 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 127.231 2.212 . . . . 0.0 116.393 173.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.4 m 71.4 74.38 0.18 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 128.486 2.715 . . . . 0.0 112.675 178.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.13 173.4 0.47 Allowed 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 126.159 1.784 . . . . 0.0 112.251 160.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.606 HG23 ' H ' ' A' ' 18' ' ' TRP . 15.5 m -105.24 -175.91 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.957 0 C-N-CA 127.242 2.217 . . . . 0.0 112.332 169.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.414 ' HA ' ' H ' ' A' ' 6' ' ' GLY . 27.5 t70 -54.27 -24.19 17.88 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.762 2.025 . . . . 0.0 114.105 164.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.606 ' H ' HG23 ' A' ' 16' ' ' VAL 0.27 0.0 OUTLIER -76.44 11.75 1.48 Allowed 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 117.89 2.552 . . . . 0.0 117.89 -165.482 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.98 -15.1 57.77 Favored Glycine 0 CA--C 1.538 1.48 0 O-C-N 120.785 -1.197 . . . . 0.0 113.156 177.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.8 p -64.89 -43.24 93.53 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.689 1.596 . . . . 0.0 113.651 163.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.65 -64.63 0.89 Allowed 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 126.035 1.734 . . . . 0.0 110.874 178.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.4 pt -58.9 -37.82 69.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 177.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -50.0 -62.52 4.91 Favored Glycine 0 N--CA 1.475 1.258 0 C-N-CA 126.067 1.794 . . . . 0.0 112.73 171.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -61.49 -48.9 79.01 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.208 1.003 . . . . 0.0 112.896 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 70.4 mt -54.09 -52.6 35.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 125.39 1.476 . . . . 0.0 111.17 175.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.03 -23.66 69.72 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 115.886 1.115 . . . . 0.0 115.886 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.9 m-80 -99.65 -19.63 16.71 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-N 119.364 1.582 . . . . 0.0 113.373 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -66.77 -43.68 83.36 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 119.744 1.156 . . . . 0.0 111.056 155.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.79 -36.79 70.27 Favored 'General case' 0 C--N 1.341 0.239 0 O-C-N 121.411 -0.806 . . . . 0.0 110.975 170.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.53 -9.18 58.57 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 116.432 2.012 . . . . 0.0 116.432 176.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.11 -25.29 64.33 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 120.508 -1.37 . . . . 0.0 111.709 153.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -101.05 6.33 43.34 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 127.139 2.176 . . . . 0.0 113.536 174.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -46.23 -42.25 14.0 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 127.589 2.356 . . . . 0.0 113.032 178.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.49 -4.49 58.99 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.57 1.548 . . . . 0.0 113.792 -178.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.5 m -124.62 -79.15 0.61 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.134 0.573 . . . . 0.0 111.112 -179.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -67.78 -42.03 87.58 Favored Glycine 0 CA--C 1.535 1.287 0 C-N-CA 124.174 0.892 . . . . 0.0 112.711 175.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.09 -27.24 71.13 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 121.064 -1.256 . . . . 0.0 114.058 172.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -77.7 -29.39 51.29 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.682 1.193 . . . . 0.0 111.6 173.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.28 -29.42 17.17 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.147 1.379 . . . . 0.0 114.152 -176.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 162.42 0.7 0.06 OUTLIER Glycine 0 CA--C 1.546 1.996 0 N-CA-C 118.424 2.13 . . . . 0.0 118.424 178.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -74.61 69.62 1.75 Allowed 'General case' 0 CA--C 1.558 1.275 0 CA-C-N 120.418 2.109 . . . . 0.0 111.278 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -74.66 165.14 25.72 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 125.263 1.425 . . . . 0.0 112.371 177.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp . . . . . 0 C--O 1.25 1.083 0 C-N-CA 127.264 2.226 . . . . 0.0 113.319 172.739 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 53.4 tptt . . . . . 0 N--CA 1.489 1.525 0 CA-C-O 121.622 0.725 . . . . 0.0 111.392 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -72.0 144.86 48.67 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 120.739 -1.226 . . . . 0.0 109.801 163.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -121.99 -28.79 4.37 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 177.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.98 -174.31 31.76 Favored Glycine 0 N--CA 1.472 1.086 0 O-C-N 121.172 -0.955 . . . . 0.0 113.607 -173.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 26.28 -91.45 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 128.945 2.898 . . . . 0.0 114.39 171.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -119.87 -1.11 13.27 Favored Glycine 0 CA--C 1.54 1.631 0 C-N-CA 125.112 1.339 . . . . 0.0 114.974 177.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.6 p -91.6 104.37 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 128.686 2.794 . . . . 0.0 111.609 -173.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -129.75 53.75 1.89 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 128.093 2.557 . . . . 0.0 110.922 -166.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.7 t -56.99 110.68 0.86 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 127.356 2.262 . . . . 0.0 113.373 -167.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.72 -24.2 0.23 Allowed Glycine 0 CA--C 1.533 1.163 0 C-N-CA 124.652 1.12 . . . . 0.0 115.787 178.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -61.11 -59.85 4.7 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.926 1.291 . . . . 0.0 111.706 176.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -136.7 -54.43 0.72 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 127.05 2.14 . . . . 0.0 110.769 171.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.4 m -138.24 179.68 6.31 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 127.739 2.416 . . . . 0.0 111.125 178.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 86.8 m -67.76 100.96 0.98 Allowed 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.773 0.829 . . . . 0.0 111.243 174.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.2 m -50.74 -36.41 36.33 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 126.961 2.104 . . . . 0.0 115.009 -159.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.718 HG23 ' CE3' ' A' ' 18' ' ' TRP 0.367 2.8 p -140.72 73.67 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-O 122.8 1.286 . . . . 0.0 113.917 154.64 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -84.85 14.47 4.78 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 114.372 -1.286 . . . . 0.0 111.429 129.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.718 ' CE3' HG23 ' A' ' 16' ' ' VAL 0.275 0.0 OUTLIER -75.82 17.65 0.3 Allowed 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 127.894 2.477 . . . . 0.0 115.548 -148.772 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.39 -14.62 60.09 Favored Glycine 0 CA--C 1.553 2.431 0 O-C-N 119.404 -2.06 . . . . 0.0 112.893 -177.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.9 p -65.23 -40.78 94.55 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 126.267 1.827 . . . . 0.0 112.965 161.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.53 -62.2 1.66 Allowed 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 126.667 1.987 . . . . 0.0 111.391 178.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.5 pt -60.81 -41.42 88.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 O-C-N 121.37 -0.831 . . . . 0.0 112.014 177.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -51.06 -56.01 16.24 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 126.7 2.095 . . . . 0.0 113.025 171.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -58.06 -49.87 75.39 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.993 1.317 . . . . 0.0 113.152 175.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 78.0 mt -55.28 -48.63 76.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 O-C-N 121.482 -0.761 . . . . 0.0 110.194 176.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.13 -15.7 65.65 Favored Glycine 0 CA--C 1.534 1.252 0 N-CA-C 115.821 1.088 . . . . 0.0 115.821 177.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.41 ' HA ' ' HB3' ' A' ' 30' ' ' ALA . 16.8 m-80 -110.82 -17.41 13.35 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 119.97 1.885 . . . . 0.0 114.115 -178.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -55.7 -49.02 74.12 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.523 -0.736 . . . . 0.0 110.04 145.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.86 -32.79 72.21 Favored 'General case' 0 CA--C 1.549 0.91 0 O-C-N 121.205 -0.934 . . . . 0.0 112.642 171.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.41 ' HB3' ' HA ' ' A' ' 27' ' ' ASN . . . -75.68 -9.89 58.97 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 119.333 -2.104 . . . . 0.0 115.562 171.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.95 -43.48 78.98 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 120.727 1.603 . . . . 0.0 110.44 152.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -68.12 -20.21 64.89 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 177.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.405 ' CD2' ' HA ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -43.28 -50.47 6.57 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 126.447 1.899 . . . . 0.0 111.317 170.928 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -146.25 -16.57 0.44 Allowed 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.841 1.656 . . . . 0.0 115.088 -154.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 27.2 m -108.51 -44.65 4.03 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.472 1.109 . . . . 0.0 112.247 174.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -80.41 -60.99 2.26 Favored Glycine 0 N--CA 1.47 0.929 0 C-N-CA 123.501 0.572 . . . . 0.0 114.251 177.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.7 -33.6 73.36 Favored Glycine 0 CA--C 1.538 1.524 0 C-N-CA 124.95 1.262 . . . . 0.0 113.942 178.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -59.59 -31.53 69.55 Favored 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 113.585 0.958 . . . . 0.0 113.585 176.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.39 -1.77 28.58 Favored 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 124.996 1.318 . . . . 0.0 114.013 174.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.46 60.81 3.36 Favored Glycine 0 C--N 1.346 1.088 0 O-C-N 121.309 -0.869 . . . . 0.0 112.758 -170.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 51.0 t-105 -58.82 154.9 14.01 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 124.524 1.13 . . . . 0.0 114.048 -174.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -148.15 167.86 23.94 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.156 1.382 . . . . 0.0 113.91 -173.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt . . . . . 0 C--O 1.252 1.235 0 C-N-CA 126.553 1.941 . . . . 0.0 111.979 167.501 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 97.1 mttt . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 120.545 0.212 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.03 -95.54 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.728 2.011 . . . . 0.0 110.297 160.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.16 147.8 51.46 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 128.632 2.773 . . . . 0.0 112.151 -168.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.38 -85.96 0.33 Allowed Glycine 0 CA--C 1.541 1.711 0 C-N-CA 128.734 3.064 . . . . 0.0 110.3 4.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -136.85 -54.38 0.72 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 127.467 2.307 . . . . 0.0 109.823 154.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -166.42 20.56 0.1 Allowed Glycine 0 CA--C 1.535 1.308 0 C-N-CA 125.555 1.55 . . . . 0.0 114.594 169.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.271 11.3 t -53.02 -95.85 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.562 1.436 0 C-N-CA 127.667 2.387 . . . . 0.0 116.827 -146.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . 0.284 70.7 m80 106.6 23.99 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.654 0 C-N-CA 130.23 3.412 . . . . 0.0 115.573 -179.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 67.0 m -58.49 137.53 57.31 Favored 'General case' 0 CA--C 1.552 1.024 0 O-C-N 120.475 -1.391 . . . . 0.0 111.383 174.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.98 -53.78 2.59 Favored Glycine 0 N--CA 1.48 1.61 0 C-N-CA 124.734 1.159 . . . . 0.0 113.599 -168.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -62.89 -54.97 30.4 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.703 1.201 . . . . 0.0 111.448 -175.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 63.1 t-80 -153.75 67.73 0.76 Allowed 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 127.081 2.152 . . . . 0.0 110.967 174.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.0 m 43.27 41.01 2.78 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 127.453 2.301 . . . . 0.0 116.829 170.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.4 m 56.16 32.0 19.34 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 125.359 1.464 . . . . 0.0 112.264 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 94.3 m -64.16 97.41 0.18 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.684 1.194 . . . . 0.0 113.591 172.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.3 t -56.33 -23.41 16.36 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.829 0 C-N-CA 127.843 2.457 . . . . 0.0 113.467 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.1 t70 120.97 -25.89 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.429 1 C-N-CA 134.031 4.932 . . . . 0.0 110.915 -173.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.42 ' CE2' HD11 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -62.9 22.1 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 129.65 3.18 . . . . 0.0 117.151 173.171 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.21 -20.84 55.48 Favored Glycine 0 CA--C 1.546 1.977 0 O-C-N 121.106 -0.997 . . . . 0.0 113.799 178.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.4 p -69.19 -36.02 76.87 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 127.395 2.278 . . . . 0.0 113.229 168.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.79 -56.58 20.31 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.996 1.318 . . . . 0.0 109.468 170.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.42 HD11 ' CE2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -65.42 -30.69 50.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 O-C-N 121.278 -0.889 . . . . 0.0 111.863 179.155 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.22 -46.62 93.53 Favored Glycine 0 CA--C 1.534 1.268 0 C-N-CA 123.897 0.76 . . . . 0.0 113.688 168.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -63.56 -42.24 98.37 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.113 0.965 . . . . 0.0 112.598 175.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 93.5 mt -62.05 -41.56 91.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 124.178 0.991 . . . . 0.0 110.838 173.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.46 -51.65 55.0 Favored Glycine 0 N--CA 1.476 1.366 0 C-N-CA 126.036 1.779 . . . . 0.0 112.843 171.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -58.44 -41.7 85.69 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 118.269 1.035 . . . . 0.0 113.478 173.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -58.34 -45.77 87.52 Favored 'General case' 0 CA--C 1.554 1.119 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 176.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.54 -56.41 20.35 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 122.747 0.419 . . . . 0.0 110.979 170.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.3 -9.22 0.63 Allowed 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 125.507 1.523 . . . . 0.0 115.023 179.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -122.07 -3.72 9.05 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 117.073 2.249 . . . . 0.0 117.073 172.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -62.43 -7.76 5.02 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 120.542 -1.349 . . . . 0.0 111.172 132.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER 58.25 27.18 14.83 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.894 2.078 . . . . 0.0 110.411 -172.496 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 49.64 30.76 3.79 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 129.024 2.93 . . . . 0.0 113.514 -167.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.9 m -132.08 -52.71 0.97 Allowed 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.215 1.006 . . . . 0.0 112.332 -167.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.69 -14.08 41.87 Favored Glycine 0 CA--C 1.543 1.787 0 N-CA-C 116.822 1.489 . . . . 0.0 116.822 -178.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -128.49 7.66 6.61 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 125.603 1.573 . . . . 0.0 114.858 175.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -57.53 -44.15 84.88 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.546 1.538 . . . . 0.0 113.275 -166.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -94.8 -3.12 49.59 Favored 'General case' 0 C--O 1.244 0.796 0 N-CA-C 115.379 1.622 . . . . 0.0 115.379 -175.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -151.8 -2.95 0.2 Allowed Glycine 0 CA--C 1.539 1.554 0 N-CA-C 116.902 1.521 . . . . 0.0 116.902 -169.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 13.7 t-105 -125.72 5.52 7.44 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 119.291 1.545 . . . . 0.0 113.666 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -69.68 101.98 1.78 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.513 1.525 . . . . 0.0 111.772 176.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 55.0 tptt . . . . . 0 C--O 1.254 1.328 0 C-N-CA 125.616 1.566 . . . . 0.0 112.685 179.571 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 83.5 tttt . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 120.615 0.245 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.416 ' CG ' ' N ' ' A' ' 3' ' ' TYR . 3.6 t80 -83.24 -123.98 0.02 OUTLIER 'General case' 0 CA--C 1.563 1.445 0 C-N-CA 126.596 1.958 . . . . 0.0 110.271 168.047 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.455 ' CD2' ' HA ' ' A' ' 16' ' ' VAL . 1.0 OUTLIER 47.72 -16.51 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.786 1 C-N-CA 133.499 4.719 . . . . 0.0 118.166 -163.694 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -36.49 91.8 0.01 OUTLIER Glycine 0 N--CA 1.482 1.739 0 C-N-CA 128.718 3.056 . . . . 0.0 115.383 179.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 51.9 t30 38.14 68.07 0.35 Allowed 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 127.246 2.218 . . . . 0.0 114.301 -170.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 176.58 -40.08 0.1 Allowed Glycine 0 N--CA 1.473 1.15 0 N-CA-C 114.95 0.74 . . . . 0.0 114.95 -176.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.346 0.8 OUTLIER 58.84 167.6 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.559 1.303 0 C-N-CA 127.797 2.439 . . . . 0.0 113.838 165.846 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -83.82 25.53 0.79 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 118.777 -2.452 . . . . 0.0 115.085 -175.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 97.6 m -48.85 124.62 8.85 Favored 'General case' 0 CA--C 1.548 0.901 0 O-C-N 121.215 -0.928 . . . . 0.0 111.153 170.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.16 -39.98 1.67 Allowed Glycine 0 CA--C 1.545 1.918 0 C-N-CA 124.95 1.262 . . . . 0.0 114.63 -175.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.37 -39.98 96.01 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 125.417 1.487 . . . . 0.0 113.524 173.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -151.94 -71.38 0.16 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 126.231 1.812 . . . . 0.0 111.18 171.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.7 t -156.61 159.59 38.62 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.194 1.798 . . . . 0.0 111.032 174.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 84.4 m -74.81 36.67 0.11 Allowed 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.255 1.422 . . . . 0.0 114.511 177.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.45 -20.07 57.41 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 -168.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.455 ' HA ' ' CD2' ' A' ' 3' ' ' TYR . 0.8 OUTLIER 52.01 19.95 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 N-CA-C 115.854 1.798 . . . . 0.0 115.854 -178.895 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.3 t0 49.99 16.34 0.23 Allowed 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 127.805 2.442 . . . . 0.0 115.434 -160.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . 0.311 0.0 OUTLIER -137.21 11.07 3.03 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 117.073 2.249 . . . . 0.0 117.073 -177.867 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.37 -17.93 60.23 Favored Glycine 0 CA--C 1.538 1.498 0 O-C-N 120.675 -1.266 . . . . 0.0 112.781 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.6 p -71.38 -28.57 64.12 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.636 1.574 . . . . 0.0 113.297 166.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.03 -53.3 10.3 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 125.117 1.367 . . . . 0.0 111.264 176.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 12.5 pt -62.98 -35.76 72.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 CA-C-N 117.849 0.295 . . . . 0.0 110.224 173.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -53.76 -51.18 50.66 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 124.03 0.824 . . . . 0.0 113.863 168.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -60.92 -43.78 98.12 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.453 1.101 . . . . 0.0 111.998 177.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 80.4 mt -58.21 -46.78 88.57 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 C-N-CA 125.38 1.472 . . . . 0.0 111.287 173.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.18 -29.9 74.28 Favored Glycine 0 CA--C 1.542 1.729 0 C-N-CA 124.743 1.163 . . . . 0.0 114.311 175.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -90.68 -23.85 20.62 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.684 1.194 . . . . 0.0 112.921 179.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -64.79 -43.29 93.69 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.73 0.812 . . . . 0.0 111.368 159.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.9 -30.36 65.83 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.107 -0.995 . . . . 0.0 112.097 167.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.04 -4.46 59.17 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 173.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.07 -32.96 71.3 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.941 1.246 . . . . 0.0 111.186 150.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -91.8 8.17 38.4 Favored 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 125.769 1.627 . . . . 0.0 113.16 173.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -47.22 -34.01 5.97 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 127.513 2.325 . . . . 0.0 114.162 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.88 -26.53 36.29 Favored 'General case' 0 C--O 1.243 0.728 0 C-N-CA 125.179 1.391 . . . . 0.0 113.42 173.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.6 p -116.28 -45.96 2.81 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 126.331 1.852 . . . . 0.0 111.613 -163.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 59.97 26.75 63.63 Favored Glycine 0 CA--C 1.539 1.583 0 O-C-N 121.303 -0.873 . . . . 0.0 112.032 -162.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.32 6.35 71.22 Favored Glycine 0 CA--C 1.543 1.804 0 C-N-CA 127.838 2.637 . . . . 0.0 113.811 -166.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 54.81 -77.93 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 130.971 3.708 . . . . 0.0 112.99 -174.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -139.3 3.2 2.13 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 126.932 2.093 . . . . 0.0 114.796 178.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 145.5 29.14 0.09 OUTLIER Glycine 0 N--CA 1.477 1.416 0 CA-C-O 118.845 -0.975 . . . . 0.0 115.279 -175.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 68.9 t-105 -59.96 97.48 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 126.021 1.728 . . . . 0.0 113.308 178.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -146.39 166.01 27.63 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 125.938 1.695 . . . . 0.0 111.346 -177.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 81.0 tttt . . . . . 0 C--O 1.251 1.177 0 C-N-CA 128.857 2.863 . . . . 0.0 114.515 176.777 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.351 0.12 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -67.61 100.14 0.85 Allowed 'General case' 0 CA--C 1.547 0.857 0 O-C-N 120.4 -1.437 . . . . 0.0 108.341 170.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -65.76 -15.92 63.3 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.787 1.235 . . . . 0.0 114.134 -174.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.75 -16.3 4.28 Favored Glycine 0 CA--C 1.535 1.338 0 N-CA-C 117.334 1.693 . . . . 0.0 117.334 162.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -82.66 -56.94 3.56 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 119.138 1.469 . . . . 0.0 113.61 -176.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 173.03 36.83 0.03 OUTLIER Glycine 0 N--CA 1.47 0.947 0 C-N-CA 126.632 2.063 . . . . 0.0 111.849 -171.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -117.64 102.5 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -150.53 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -142.98 128.67 19.24 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 128.309 2.644 . . . . 0.0 108.529 176.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 30.6 m -54.46 -35.85 63.47 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 120.476 -1.39 . . . . 0.0 110.474 176.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 143.38 -38.1 1.42 Allowed Glycine 0 CA--C 1.543 1.794 0 C-N-CA 128.903 3.144 . . . . 0.0 109.934 -158.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -133.49 -56.97 0.9 Allowed 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 127.684 2.394 . . . . 0.0 112.4 168.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 60.3 t60 -74.91 -152.34 0.03 OUTLIER 'General case' 0 CA--C 1.56 1.328 0 C-N-CA 126.307 1.843 . . . . 0.0 111.067 171.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.9 m -99.1 -11.02 21.81 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 118.867 2.914 . . . . 0.0 118.867 -157.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.1 p -98.7 12.67 34.75 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 119.366 3.098 . . . . 0.0 119.366 -143.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.528 HG23 ' H ' ' A' ' 19' ' ' GLY . 1.0 OUTLIER -135.9 125.04 24.46 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 120.133 1.333 . . . . 0.0 112.026 -177.25 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.1 t -69.81 28.22 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 C-N-CA 127.964 2.505 . . . . 0.0 112.947 176.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 55.92 -2.6 0.03 OUTLIER 'General case' 0 CA--C 1.561 1.385 0 C-N-CA 128.865 2.866 . . . . 0.0 115.122 -158.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . 0.326 0.0 OUTLIER -110.59 9.64 23.03 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 127.624 2.37 . . . . 0.0 115.141 177.366 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.528 ' H ' HG23 ' A' ' 15' ' ' THR . . . -61.73 -19.49 58.43 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 124.968 1.271 . . . . 0.0 113.707 177.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.2 t -62.34 -39.31 92.67 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.274 1.03 . . . . 0.0 111.982 166.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.63 -60.28 2.68 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.835 2.054 . . . . 0.0 111.479 176.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.7 pt -62.93 -36.89 77.65 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.358 0 C-N-CA 119.758 -0.777 . . . . 0.0 112.945 178.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.44 -49.64 76.32 Favored Glycine 0 CA--C 1.539 1.534 0 C-N-CA 124.669 1.128 . . . . 0.0 113.091 176.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -60.14 -47.41 86.04 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.252 1.021 . . . . 0.0 111.23 175.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 60.8 mt -60.08 -45.63 95.41 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 C-N-CA 124.457 1.103 . . . . 0.0 111.778 176.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.42 -36.51 93.48 Favored Glycine 0 N--CA 1.47 0.945 0 O-C-N 121.045 -1.034 . . . . 0.0 114.335 178.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -87.07 -21.43 26.06 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 176.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -59.06 -51.03 71.8 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 121.405 -0.81 . . . . 0.0 109.994 159.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.05 -26.73 60.85 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 171.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.21 10.79 39.05 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 116.772 2.138 . . . . 0.0 116.772 176.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -99.39 -19.53 16.95 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.099 -1.001 . . . . 0.0 113.403 148.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -68.97 -48.84 62.18 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 118.114 -0.946 . . . . 0.0 109.741 160.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 28.47 -66.65 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.203 1 C-N-CA 133.215 4.606 . . . . 0.0 116.998 173.076 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -51.02 -26.98 6.85 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.267 1.827 . . . . 0.0 113.018 165.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.5 m -148.84 44.61 1.0 Allowed 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 129.001 2.92 . . . . 0.0 108.152 -176.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.51 73.78 0.01 OUTLIER Glycine 0 CA--C 1.536 1.394 0 C-N-CA 127.825 2.631 . . . . 0.0 113.46 179.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.55 17.8 27.88 Favored Glycine 0 CA--C 1.538 1.479 0 CA-C-N 118.055 0.927 . . . . 0.0 113.527 -155.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 32.9 t30 44.72 -40.03 0.0 OUTLIER 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 130.559 3.543 . . . . 0.0 115.173 -146.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -143.78 92.06 2.3 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 127.012 2.125 . . . . 0.0 110.951 169.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.4 18.03 14.12 Favored Glycine 0 CA--C 1.538 1.472 0 N-CA-C 117.25 1.66 . . . . 0.0 117.25 165.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 9.7 t90 61.29 22.65 12.99 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 127.434 2.293 . . . . 0.0 114.495 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -68.53 82.17 0.27 Allowed 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 124.903 1.281 . . . . 0.0 112.592 172.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 96.3 mttt . . . . . 0 C--O 1.254 1.342 0 C-N-CA 127.519 2.328 . . . . 0.0 111.368 174.677 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm . . . . . 0 N--CA 1.489 1.489 0 CA-C-O 119.561 -0.257 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -89.34 108.68 19.77 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 120.497 -1.377 . . . . 0.0 110.408 168.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -64.29 -5.43 5.08 Favored 'General case' 0 CA--C 1.56 1.355 0 C-N-CA 126.18 1.792 . . . . 0.0 115.243 -172.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.58 -21.64 43.16 Favored Glycine 0 CA--C 1.544 1.861 0 O-C-N 120.792 -1.193 . . . . 0.0 115.452 169.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -94.27 -36.84 11.81 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.642 1.977 . . . . 0.0 115.644 176.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -162.6 169.21 37.8 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 129.762 3.553 . . . . 0.0 114.106 -7.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 37.6 t -103.56 -14.49 8.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 N-CA-C 114.506 1.298 . . . . 0.0 114.506 -152.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.0 m80 48.98 78.55 0.09 Allowed 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 127.141 2.177 . . . . 0.0 113.599 -178.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.497 ' HA ' ' H ' ' A' ' 14' ' ' CYS . 1.7 t -115.91 169.51 9.18 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -178.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 174.23 -106.77 0.23 Allowed Glycine 0 CA--C 1.539 1.54 0 C-N-CA 125.261 1.41 . . . . 0.0 110.991 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -78.16 -52.3 8.92 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.201 1.001 . . . . 0.0 113.202 -177.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -143.16 2.45 1.31 Allowed 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 115.456 1.65 . . . . 0.0 115.456 -172.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.4 p -85.34 -92.11 0.09 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.751 1.62 . . . . 0.0 113.146 -167.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.497 ' H ' ' HA ' ' A' ' 9' ' ' CYS . 1.4 m 49.53 38.0 13.62 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 126.061 1.744 . . . . 0.0 111.684 -169.055 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 31.6 m -72.18 -24.17 61.38 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 116.257 1.947 . . . . 0.0 116.257 -165.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.2 t 45.67 -110.81 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 CA-C-N 120.014 1.279 . . . . 0.0 108.947 -154.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -129.73 13.63 5.88 Favored 'General case' 0 CA--C 1.561 1.366 0 C-N-CA 126.458 1.903 . . . . 0.0 112.041 154.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.473 ' CE2' HD11 ' A' ' 22' ' ' ILE 0.281 0.0 OUTLIER -138.45 12.82 2.77 Favored 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 116.473 2.027 . . . . 0.0 116.473 -168.486 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.69 -24.46 64.29 Favored Glycine 0 CA--C 1.542 1.739 0 O-C-N 120.898 -1.126 . . . . 0.0 113.224 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.4 p -60.33 -39.44 87.1 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.676 1.99 . . . . 0.0 113.19 165.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.14 -59.22 5.76 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.765 1.626 . . . . 0.0 110.036 173.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.473 HD11 ' CE2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -67.94 -29.98 46.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -175.603 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.51 -52.25 53.71 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 123.7 0.667 . . . . 0.0 111.977 169.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -58.05 -50.56 73.0 Favored 'General case' 0 C--O 1.242 0.677 0 C-N-CA 123.507 0.723 . . . . 0.0 111.958 175.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 69.8 mt -58.54 -47.33 88.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.754 1.221 . . . . 0.0 111.668 177.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.17 -15.23 58.34 Favored Glycine 0 CA--C 1.538 1.528 0 C-N-CA 126.195 1.855 . . . . 0.0 115.392 175.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -104.11 -24.19 13.21 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 120.97 -1.312 . . . . 0.0 112.943 175.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -61.06 -38.21 85.41 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 120.266 -1.521 . . . . 0.0 111.172 153.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.2 -42.59 91.3 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 120.995 -1.065 . . . . 0.0 111.253 166.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.04 -10.73 59.66 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 117.326 2.343 . . . . 0.0 117.326 173.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.27 -46.14 61.56 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 120.814 1.643 . . . . 0.0 110.248 154.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -68.56 -12.71 61.65 Favored 'General case' 0 CA--C 1.556 1.178 0 O-C-N 119.987 -1.696 . . . . 0.0 114.036 178.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.11 -42.33 65.88 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 126.449 1.899 . . . . 0.0 111.227 171.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -146.04 -24.28 0.45 Allowed 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 125.344 1.458 . . . . 0.0 113.975 -158.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.2 m -126.98 -29.37 2.81 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.409 1.084 . . . . 0.0 113.858 -166.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.13 -57.26 16.23 Favored Glycine 0 N--CA 1.477 1.417 0 C-N-CA 125.641 1.591 . . . . 0.0 113.986 -172.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.95 -18.5 16.43 Favored Glycine 0 N--CA 1.48 1.569 1 C-N-CA 131.014 4.149 . . . . 0.0 114.354 -7.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -62.89 -38.63 91.66 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 124.154 0.982 . . . . 0.0 112.399 177.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.14 -11.82 61.16 Favored 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 125.353 1.461 . . . . 0.0 114.819 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 139.94 56.46 0.04 OUTLIER Glycine 0 CA--C 1.535 1.325 0 C-N-CA 124.304 0.954 . . . . 0.0 114.605 -175.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 57.76 20.46 6.49 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 127.366 2.266 . . . . 0.0 116.649 164.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -126.63 167.48 15.63 Favored 'General case' 0 C--O 1.246 0.883 0 C-N-CA 124.661 1.184 . . . . 0.0 112.759 -177.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt . . . . . 0 C--O 1.257 1.491 0 C-N-CA 127.007 2.123 . . . . 0.0 112.335 -172.056 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 82.7 tttt . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.04 0.447 . . . . 0.0 111.509 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -75.27 107.23 7.23 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 126.027 1.731 . . . . 0.0 108.567 158.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -85.21 -23.99 28.06 Favored 'General case' 0 CA--C 1.555 1.168 0 N-CA-C 113.885 1.068 . . . . 0.0 113.885 -173.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.68 178.46 15.67 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 125.691 1.615 . . . . 0.0 112.394 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 40.74 -92.64 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 128.268 2.627 . . . . 0.0 114.183 -175.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -118.7 -3.07 14.3 Favored Glycine 0 N--CA 1.48 1.596 0 C-N-CA 125.654 1.597 . . . . 0.0 114.825 175.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.5 t -79.46 100.76 4.25 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 C-N-CA 127.398 2.279 . . . . 0.0 111.633 -177.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -130.76 72.86 1.51 Allowed 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.955 2.102 . . . . 0.0 111.916 -168.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 59.9 m -84.05 97.54 9.36 Favored 'General case' 0 CA--C 1.557 1.249 0 O-C-N 120.954 -1.091 . . . . 0.0 110.362 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 174.6 -88.68 0.08 OUTLIER Glycine 0 CA--C 1.544 1.865 0 C-N-CA 124.128 0.87 . . . . 0.0 113.982 177.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -68.3 -50.04 56.34 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 124.727 1.211 . . . . 0.0 110.963 168.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -77.18 166.95 22.56 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.942 1.697 . . . . 0.0 110.829 164.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.5 m -102.49 62.12 0.84 Allowed 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.537 1.135 . . . . 0.0 111.156 177.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 72.9 m 65.74 -38.3 0.27 Allowed 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 128.417 2.687 . . . . 0.0 114.879 -176.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.63 HG22 ' H ' ' A' ' 17' ' ' ASP . 59.9 m 59.17 -81.92 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 126.923 2.089 . . . . 0.0 116.014 171.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.0 t 57.67 -5.7 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 C-N-CA 127.235 2.214 . . . . 0.0 114.441 -166.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.63 ' H ' HG22 ' A' ' 15' ' ' THR . 21.9 t70 59.25 18.2 6.4 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 128.266 2.626 . . . . 0.0 113.1 -164.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.568 ' CE2' HD11 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -138.66 -11.86 1.34 Allowed 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 115.526 1.676 . . . . 0.0 115.526 -156.617 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.96 -31.57 81.35 Favored Glycine 0 CA--C 1.539 1.542 0 O-C-N 119.943 -1.723 . . . . 0.0 113.343 175.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.7 p -64.61 -30.3 71.32 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.358 1.463 . . . . 0.0 113.293 169.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.37 -60.78 3.25 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 124.401 1.08 . . . . 0.0 109.099 170.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.568 HD11 ' CE2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -64.19 -33.99 66.05 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.82 0 N-CA-C 113.032 0.752 . . . . 0.0 113.032 -175.507 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.1 -54.88 32.38 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 124.944 1.259 . . . . 0.0 112.781 170.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -62.69 -51.78 65.88 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.204 1.401 . . . . 0.0 112.559 176.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 76.0 mt -56.7 -42.56 77.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 125.912 1.685 . . . . 0.0 110.623 178.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -53.86 -65.12 3.66 Favored Glycine 0 C--O 1.24 0.518 0 C-N-CA 127.111 2.291 . . . . 0.0 113.288 176.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -72.45 -13.75 61.52 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 176.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -63.5 -55.7 21.92 Favored 'General case' 0 CA--C 1.556 1.201 0 CA-C-N 120.91 1.686 . . . . 0.0 111.137 164.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.56 -48.07 80.34 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.924 0.89 . . . . 0.0 111.714 172.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.35 0.64 7.68 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 117.114 -1.422 . . . . 0.0 113.731 174.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -101.76 -14.29 17.38 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 121.995 2.179 . . . . 0.0 113.73 165.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -59.42 -48.99 79.52 Favored 'General case' 0 CA--C 1.552 1.03 0 CA-C-N 119.496 1.044 . . . . 0.0 109.01 152.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . 0.27 42.3 t90 -63.97 -43.63 95.18 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 115.27 1.581 . . . . 0.0 115.27 172.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.75 -31.57 65.03 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 120.426 1.466 . . . . 0.0 112.548 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 34.9 m -138.24 -71.28 0.42 Allowed 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 118.387 -0.816 . . . . 0.0 112.788 -164.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -62.73 -28.57 71.85 Favored Glycine 0 N--CA 1.483 1.806 0 CA-C-N 119.419 1.009 . . . . 0.0 115.55 -162.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.28 18.44 3.71 Favored Glycine 0 CA--C 1.54 1.642 0 C-N-CA 127.094 2.283 . . . . 0.0 114.157 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -48.47 -44.88 36.04 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.364 1.465 . . . . 0.0 113.227 -170.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -114.58 4.59 15.2 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.896 1.072 . . . . 0.0 113.896 177.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -129.5 -15.39 2.0 Favored Glycine 0 CA--C 1.541 1.699 0 N-CA-C 115.709 1.044 . . . . 0.0 115.709 -168.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 45.4 m0 -122.1 162.89 20.43 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.233 1.413 . . . . 0.0 111.283 175.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . 0.301 18.4 p30 48.81 19.62 0.27 Allowed 'General case' 0 N--CA 1.484 1.243 0 N-CA-C 118.245 2.683 . . . . 0.0 118.245 179.134 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? . . . . . 0 C--O 1.26 1.656 0 C-N-CA 128.509 2.724 . . . . 0.0 112.882 173.528 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 64.3 mttm . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.772 0.32 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -71.1 145.25 49.96 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.288 1.035 . . . . 0.0 109.692 156.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -131.24 151.43 51.49 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.314 1.046 . . . . 0.0 113.273 -173.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.9 -18.09 66.07 Favored Glycine 0 N--CA 1.472 1.094 0 N-CA-C 116.857 1.503 . . . . 0.0 116.857 -169.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 49.1 p-10 -75.02 -9.13 58.24 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.418 1.487 . . . . 0.0 113.585 169.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 106.21 -3.49 37.82 Favored Glycine 0 C--N 1.347 1.147 0 C-N-CA 126.601 2.048 . . . . 0.0 115.181 177.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 41.7 t -68.16 153.05 9.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-N 119.162 1.481 . . . . 0.0 111.9 177.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -124.55 97.58 5.36 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 127.651 2.38 . . . . 0.0 108.832 168.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 90.1 m -82.15 82.59 7.65 Favored 'General case' 0 CA--C 1.547 0.861 0 O-C-N 120.931 -1.106 . . . . 0.0 111.684 174.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.19 74.7 0.83 Allowed Glycine 0 N--CA 1.476 1.335 0 C-N-CA 125.111 1.339 . . . . 0.0 111.699 169.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.4 mttm 66.23 -53.72 0.4 Allowed 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 128.851 2.86 . . . . 0.0 114.848 -173.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -133.52 -18.36 2.2 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 127.178 2.191 . . . . 0.0 115.536 -171.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.9 m -85.65 -34.56 21.32 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -162.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.0 m 42.07 54.6 4.05 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.953 2.101 . . . . 0.0 114.115 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 55.1 m -97.18 125.54 41.76 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.973 1.709 . . . . 0.0 110.462 -174.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.532 HG23 ' CZ3' ' A' ' 18' ' ' TRP . 44.4 t -70.24 -57.51 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 CA-C-O 122.944 1.354 . . . . 0.0 109.479 160.315 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -176.43 -42.41 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.442 1 C-N-CA 132.317 4.247 . . . . 0.0 107.502 179.041 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.532 ' CZ3' HG23 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -79.67 22.46 0.47 Allowed 'General case' 0 CA--C 1.561 1.397 0 C-N-CA 127.929 2.492 . . . . 0.0 116.209 177.562 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.01 -20.7 60.49 Favored Glycine 0 CA--C 1.539 1.559 0 O-C-N 119.854 -1.779 . . . . 0.0 114.135 -175.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 33.0 m -65.53 -38.11 88.7 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.912 1.285 . . . . 0.0 113.169 165.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.84 -60.15 3.64 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.589 1.156 . . . . 0.0 110.974 175.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 7.8 pt -61.87 -34.3 62.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 177.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.18 -51.86 55.93 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 125.267 1.413 . . . . 0.0 112.327 174.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -59.45 -50.53 73.58 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.3 1.04 . . . . 0.0 113.199 176.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 78.3 mt -58.31 -45.77 89.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 C-N-CA 124.077 0.951 . . . . 0.0 111.109 178.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.98 -46.81 90.91 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 125.767 1.651 . . . . 0.0 112.857 174.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -73.75 -31.19 63.22 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 118.811 1.306 . . . . 0.0 113.153 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -63.01 -43.59 98.34 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.951 0.9 . . . . 0.0 111.96 171.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.76 -47.33 81.42 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.977 -0.452 . . . . 0.0 111.953 169.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.92 -11.27 36.17 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 177.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -101.46 -17.96 16.21 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 120.891 1.678 . . . . 0.0 114.07 169.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -65.45 -1.79 2.79 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-O 115.023 -2.418 . . . . 0.0 112.372 142.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 32.63 -72.56 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.874 1 C-N-CA 132.247 4.219 . . . . 0.0 113.497 147.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.71 -31.06 35.68 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 130.156 3.382 . . . . 0.0 113.472 176.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . 0.266 0.4 OUTLIER -149.72 -25.19 0.27 Allowed 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 117.583 2.438 . . . . 0.0 117.583 159.541 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 116.46 -16.71 14.44 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 125.742 1.639 . . . . 0.0 112.877 -167.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -161.33 55.81 0.31 Allowed Glycine 0 N--CA 1.469 0.865 0 C-N-CA 128.812 3.101 . . . . 0.0 110.528 166.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -121.88 -86.67 0.65 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.327 1.051 . . . . 0.0 112.001 -178.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.74 -10.78 59.85 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 -171.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -88.94 -65.13 1.29 Allowed Glycine 0 CA--C 1.527 0.836 0 C-N-CA 123.91 0.767 . . . . 0.0 112.571 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 10.8 t-105 -126.71 15.59 7.52 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 115.335 1.606 . . . . 0.0 115.335 -165.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -132.17 31.45 4.11 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 -175.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.633 0 C-N-CA 125.857 1.663 . . . . 0.0 114.137 172.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt . . . . . 0 N--CA 1.493 1.687 0 N-CA-C 110.505 -0.183 . . . . 0.0 110.505 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 17.5 p90 -131.72 150.7 52.07 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.655 1.182 . . . . 0.0 108.951 158.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 20.4 m-30 -70.91 -10.89 60.5 Favored 'General case' 0 CA--C 1.562 1.427 0 N-CA-C 115.821 1.786 . . . . 0.0 115.821 -172.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.74 -177.26 16.37 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 126.672 2.082 . . . . 0.0 114.411 -178.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -57.31 140.09 51.02 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.0 0.92 . . . . 0.0 112.359 170.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 75.81 3.16 72.81 Favored Glycine 0 CA--C 1.531 1.077 0 CA-C-O 117.782 -1.565 . . . . 0.0 116.647 -177.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 15.4 m -141.79 -60.72 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 CA-C-N 120.382 2.091 . . . . 0.0 114.831 -177.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.2 m80 51.13 -77.43 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 129.695 3.198 . . . . 0.0 116.554 -171.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 64.38 -47.2 0.3 Allowed 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 128.164 2.585 . . . . 0.0 117.576 -175.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.09 -14.53 59.29 Favored Glycine 0 CA--C 1.543 1.795 0 C-N-CA 126.278 1.894 . . . . 0.0 117.082 -171.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -65.15 -51.48 60.89 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.488 1.515 . . . . 0.0 110.725 173.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -162.29 -53.03 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.659 1.983 . . . . 0.0 112.204 -178.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.1 t -149.42 169.97 19.63 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 128.039 2.536 . . . . 0.0 110.14 174.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 12.1 m -65.94 76.15 0.08 Allowed 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 127.386 2.275 . . . . 0.0 111.345 -176.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 99.3 m -75.34 -11.79 60.13 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.668 1.987 . . . . 0.0 113.043 -171.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . 0.273 4.0 m 58.35 -46.76 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 129.542 3.137 . . . . 0.0 114.542 -164.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.1 p30 126.76 -3.37 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.897 1 C-N-CA 134.529 5.131 . . . . 0.0 110.842 -166.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . 0.353 0.0 OUTLIER -96.24 11.93 32.76 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 -170.265 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.65 -18.35 58.94 Favored Glycine 0 CA--C 1.538 1.523 0 O-C-N 120.713 -1.242 . . . . 0.0 112.86 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 34.1 p -71.97 -34.23 68.8 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.257 1.423 . . . . 0.0 114.241 164.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.72 -67.99 0.38 Allowed 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.875 2.07 . . . . 0.0 110.908 175.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 pt -56.33 -40.33 65.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 124.642 1.177 . . . . 0.0 113.505 173.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -46.49 -63.65 2.97 Favored Glycine 0 CA--C 1.54 1.601 0 C-N-CA 124.828 1.204 . . . . 0.0 113.458 168.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -64.75 -36.26 83.73 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 123.97 0.908 . . . . 0.0 113.145 -179.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 81.1 mt -59.55 -50.17 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 124.524 1.13 . . . . 0.0 110.529 173.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -51.59 -50.2 43.37 Favored Glycine 0 C--N 1.342 0.891 0 C-N-CA 125.659 1.6 . . . . 0.0 113.727 172.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -52.29 -57.6 9.24 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 126.828 2.051 . . . . 0.0 112.971 170.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -64.62 -41.41 96.2 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 125.826 1.651 . . . . 0.0 108.516 -169.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.64 -45.88 74.06 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 171.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.11 -9.3 1.93 Allowed 'General case' 0 CA--C 1.547 0.838 0 CA-C-O 118.422 -0.799 . . . . 0.0 113.051 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -111.11 -71.03 0.78 Allowed 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 118.392 2.738 . . . . 0.0 118.392 148.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -66.53 -9.07 31.19 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 126.526 1.931 . . . . 0.0 114.659 -159.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -78.98 -31.18 44.79 Favored 'General case' 0 N--CA 1.449 -0.477 0 O-C-N 121.945 -0.472 . . . . 0.0 111.671 -178.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -144.76 -23.72 0.51 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.523 1.529 . . . . 0.0 114.621 -162.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.1 m -133.82 -37.35 0.92 Allowed 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 -176.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -76.83 -3.4 79.94 Favored Glycine 0 N--CA 1.479 1.518 0 C-N-CA 124.019 0.819 . . . . 0.0 112.041 162.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -168.22 58.07 0.21 Allowed Glycine 0 CA--C 1.526 0.729 0 C-N-CA 128.194 2.807 . . . . 0.0 112.444 -173.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -61.62 -22.05 64.9 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.085 0.954 . . . . 0.0 113.436 178.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.22 -15.37 62.91 Favored 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 125.206 1.402 . . . . 0.0 113.617 169.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.63 -22.25 4.14 Favored Glycine 0 CA--C 1.547 2.08 0 C-N-CA 127.32 2.39 . . . . 0.0 115.227 175.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 -151.15 165.99 32.2 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.795 1.638 . . . . 0.0 110.618 -179.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -45.69 126.21 6.74 Favored 'General case' 0 CA--C 1.559 1.296 0 C-N-CA 125.141 1.376 . . . . 0.0 113.965 -178.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.261 0 C-N-CA 126.718 2.007 . . . . 0.0 112.07 -178.134 . . . . . . . . 1 1 . 1 stop_ save_