data_1vwp_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 1vwp _Structure_validation_residue.Date_analyzed 2016-10-12 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 ecloud orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.266 0 N-CA-C 100.943 -3.725 . . . . 42.159999999999997 100.943 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 35.66 -76.16 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 124.905 3.502 . . . . 49.060000000000002 115.557 -167.857 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.89 -38.67 89.19 Favored 'General case' 0 N--CA 1.442 -0.852 0 O-C-N 120.919 -1.113 . . . . 40.359999999999999 108.315 178.321 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.36 -30.73 75.62 Favored Glycine 0 CA--C 1.528 0.896 0 O-C-N 119.84 -1.788 . . . . 32.390000000000001 114.768 -177.048 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 97.0 mt -77.07 -46.65 28.6 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 C-N-CA 123.559 0.744 . . . . 22.960000000000001 111.768 -177.257 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 89.6 m -52.21 134.27 33.39 Favored 'General case' 0 C--O 1.253 1.243 0 CA-C-O 123.287 1.517 . . . . 22.039999999999999 108.481 179.113 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 137.72 -158.59 24.65 Favored Glycine 0 CA--C 1.529 0.951 0 CA-C-N 112.992 -1.913 . . . . 21.68 111.862 178.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 80.9 m -111.11 137.37 48.85 Favored 'General case' 0 CA--C 1.499 -0.989 0 N-CA-C 107.112 -1.44 . . . . 18.699999999999999 107.112 -173.89 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 96.0 m95 -131.51 142.39 49.94 Favored 'General case' 0 N--CA 1.438 -1.052 0 C-N-CA 125.709 1.603 . . . . 19.27 109.741 -177.323 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -123.59 143.02 50.48 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-O 116.213 -1.851 . . . . 18.760000000000002 109.259 -174.221 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 53.3 p30 -108.59 -176.21 2.98 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-N 123.568 2.894 . . . . 24.399999999999999 112.538 169.505 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 9.1 pm0 -60.5 -26.18 66.64 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 117.155 2.28 . . . . 34.130000000000003 117.155 177.874 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 7.8 mt -96.26 11.08 35.82 Favored 'General case' 0 CA--C 1.515 -0.4 0 C-N-CA 126.667 1.987 . . . . 40.869999999999997 113.582 -170.745 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.55 -13.96 66.36 Favored Glycine 0 CA--C 1.537 1.43 0 CA-C-O 115.674 -2.737 . . . . 35.659999999999997 116.749 -174.066 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 8.1 m -76.19 155.07 34.85 Favored 'General case' 0 C--N 1.346 0.423 1 CA-C-N 124.531 4.165 . . . . 25.809999999999999 115.53 -177.805 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 47.3 m -125.89 139.97 53.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 117.874 -1.06 . . . . 32.630000000000003 108.584 -179.018 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -134.59 149.18 50.58 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 123.16 2.709 . . . . 25.739999999999998 115.909 155.09 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 58.4 mt -112.98 124.9 70.07 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 N-CA-C 105.946 -1.872 . . . . 30.469999999999999 105.946 -178.24 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 8.7 p -137.02 142.56 37.28 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 CA-C-N 120.436 1.471 . . . . 18.440000000000001 112.262 -179.318 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 53.1 m -103.51 127.48 50.9 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 113.801 -1.545 . . . . 25.5 110.771 167.439 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -99.21 114.08 26.68 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 103.773 -2.677 . . . . 23.66 103.773 175.835 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -93.62 158.93 23.71 Favored Glycine 0 N--CA 1.438 -1.2 0 N-CA-C 106.084 -2.807 . . . . 34.759999999999998 106.084 -173.572 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.18 -47.71 71.74 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 116.025 1.861 . . . . 39.789999999999999 116.025 -168.954 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -92.91 48.09 1.32 Allowed 'General case' 0 CA--C 1.559 1.297 0 N-CA-C 118.591 2.812 . . . . 34.07 118.591 -178.333 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.91 -2.49 79.77 Favored Glycine 0 N--CA 1.427 -1.953 0 O-C-N 118.207 -2.808 . . . . 22.68 118.936 177.967 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.36 141.44 28.63 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-N 120.61 2.205 . . . . 20.579999999999998 107.745 -169.462 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 72.7 mt -116.34 133.72 55.7 Favored 'General case' 0 C--O 1.248 0.979 0 N-CA-C 107.138 -1.43 . . . . 18.440000000000001 107.138 164.255 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 28.0 p -141.49 146.32 36.28 Favored 'General case' 0 C--O 1.249 1.069 0 CA-C-O 117.524 -1.227 . . . . 24.420000000000002 109.165 173.14 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 169.47 -143.91 8.27 Favored Glycine 0 N--CA 1.475 1.26 0 O-C-N 123.798 0.686 . . . . 15.23 112.022 169.799 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 73.1 p -143.55 148.46 35.99 Favored 'General case' 0 CA--C 1.495 -1.163 0 O-C-N 119.978 -1.895 . . . . 22.690000000000001 107.327 -172.397 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -111.05 129.37 55.93 Favored 'General case' 0 CA--C 1.479 -1.774 0 CA-C-O 115.161 -2.352 . . . . 22.27 105.757 -179.391 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -123.74 121.02 34.38 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 123.365 2.802 . . . . 55.770000000000003 107.051 172.54 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.65 -50.09 75.21 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 117.257 2.318 . . . . 61.149999999999999 117.257 174.965 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -177.5 -172.32 0.36 Allowed 'General case' 0 C--N 1.346 0.455 0 CA-C-N 122.768 2.531 . . . . 61.740000000000002 111.206 -166.266 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 15.0 t 58.93 -55.05 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.248 0 C-N-CA 128.704 2.802 . . . . 64.579999999999998 114.252 176.415 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.75 50.49 0.69 Allowed Glycine 0 C--N 1.332 0.326 0 CA-C-N 123.621 2.919 . . . . 65.150000000000006 108.489 176.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -151.75 142.92 23.26 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 107.941 -1.133 . . . . 63.090000000000003 107.941 -162.481 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.72 -30.66 23.16 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 114.996 1.48 . . . . 56.880000000000003 114.996 -177.214 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.33 -17.39 58.72 Favored 'General case' 0 N--CA 1.441 -0.888 0 N-CA-C 117.664 2.468 . . . . 49.289999999999999 117.664 178.784 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 23.5 p -105.05 12.74 31.85 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 121.34 1.882 . . . . 42.57 111.681 176.459 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 80.9 mtm-85 -97.28 125.01 41.58 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-O 123.376 1.56 . . . . 37.049999999999997 112.581 178.262 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -123.12 144.18 49.49 Favored 'General case' 0 C--O 1.244 0.791 0 C-N-CA 125.891 1.676 . . . . 20.609999999999999 110.361 -178.535 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 68.5 t -64.78 131.69 30.57 Favored 'Isoleucine or valine' 0 C--O 1.252 1.23 1 O-C-N 115.951 -4.218 . . . . 15.01 114.162 174.044 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.4 pp -112.87 156.25 23.26 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-O 124.815 2.245 . . . . 18.68 113.688 162.132 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 5.4 t -149.39 138.68 21.46 Favored 'General case' 0 N--CA 1.433 -1.296 0 O-C-N 120.667 -1.271 . . . . 22.260000000000002 109.285 175.357 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -161.49 -165.71 18.84 Favored Glycine 0 C--O 1.262 1.876 0 CA-C-O 123.431 1.573 . . . . 12.960000000000001 112.033 179.408 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -140.11 151.62 45.48 Favored 'General case' 0 C--O 1.247 0.966 0 CA-C-O 123.84 1.781 . . . . 21.670000000000002 108.971 -178.621 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 21.9 p90 -129.75 156.05 44.93 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 118.364 -2.71 . . . . 23.199999999999999 108.959 168.641 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -107.95 98.77 8.29 Favored 'General case' 0 C--N 1.315 -0.898 0 O-C-N 118.292 -2.755 . . . . 25.539999999999999 110.512 -178.756 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 22.6 t -64.41 124.07 20.83 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 112.493 -2.139 . . . . 45.909999999999997 114.461 176.225 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -135.95 129.47 18.15 Favored Pre-proline 0 N--CA 1.431 -1.394 0 CA-C-O 115.453 -2.213 . . . . 56.420000000000002 114.02 -174.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_endo -56.11 104.34 0.13 Allowed 'Trans proline' 0 CA--C 1.546 1.114 0 C-N-CA 123.413 2.742 . . . . 61.770000000000003 115.954 159.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -121.39 128.13 51.9 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 123.243 1.496 . . . . 66.590000000000003 113.964 -167.565 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.82 4.37 27.42 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 113.079 -1.873 . . . . 68.950000000000003 115.605 -174.548 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -141.4 19.35 2.22 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 119.777 -1.827 . . . . 64.390000000000001 113.485 -162.949 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.1 22.02 72.2 Favored Glycine 0 CA--C 1.55 2.256 0 N-CA-C 120.963 3.145 . . . . 50.759999999999998 120.963 -175.728 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 50.7 m -62.05 151.96 33.95 Favored 'General case' 0 C--O 1.251 1.159 0 N-CA-C 120.466 3.506 . . . . 39.649999999999999 120.466 165.723 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -72.44 156.7 52.29 Favored Glycine 0 N--CA 1.434 -1.495 0 N-CA-C 109.23 -1.548 . . . . 23.77 109.23 172.715 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 51.6 m -89.19 119.85 30.05 Favored 'General case' 0 CA--C 1.563 1.452 0 C-N-CA 124.39 1.076 . . . . 22.829999999999998 111.769 168.882 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.44 136.23 44.22 Favored 'General case' 0 C--O 1.26 1.611 0 O-C-N 117.478 -3.264 . . . . 16.050000000000001 111.262 178.782 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 2.5 pp -150.16 171.93 16.11 Favored 'General case' 0 CA--C 1.569 1.687 0 CA-C-O 122.97 1.367 . . . . 22.879999999999999 109.589 179.667 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -165.31 146.58 11.33 Favored Glycine 0 C--O 1.252 1.245 0 N-CA-C 108.1 -2.0 . . . . 12.9 108.1 -178.905 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' TRP . . . . . . . . . . . . . 45.4 p90 -146.01 164.73 31.16 Favored 'General case' 1 C--O 1.317 4.617 0 N-CA-C 107.001 -1.481 . . . . 14.890000000000001 107.001 173.036 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' THR . . . . . . . . . . . . . 89.9 m -125.02 140.04 53.26 Favored 'General case' 0 CA--C 1.558 1.252 0 C-N-CA 127.082 2.153 . . . . 11.0 107.79 -177.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 71.4 t -125.99 126.96 70.64 Favored 'Isoleucine or valine' 0 C--N 1.357 0.892 0 N-CA-C 101.657 -3.46 . . . . 13.640000000000001 101.657 169.065 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -93.46 130.46 39.28 Favored 'General case' 0 CA--C 1.494 -1.182 0 N-CA-C 106.571 -1.64 . . . . 13.17 106.571 164.469 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' TRP . . . . . . . . . . . . . 85.7 m95 -86.01 62.88 7.71 Favored 'General case' 0 CA--C 1.569 1.703 0 CA-C-O 123.205 1.479 . . . . 16.23 111.083 -169.974 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 54.5 tttm -139.67 123.35 17.4 Favored 'General case' 0 N--CA 1.428 -1.55 0 N-CA-C 104.821 -2.288 . . . . 42.399999999999999 104.821 178.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' ASN . . . . . . . . . . . . . 55.8 p30 -136.41 -156.83 0.74 Allowed 'General case' 0 N--CA 1.439 -0.999 0 CA-C-N 113.885 -1.507 . . . . 21.91 110.341 166.114 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -81.91 -2.53 51.57 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 123.136 2.698 . . . . 43.829999999999998 116.048 -178.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -124.61 -1.36 8.0 Favored 'General case' 0 N--CA 1.42 -1.964 0 O-C-N 119.255 -2.153 . . . . 52.020000000000003 108.954 -178.008 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' ARG . . . . . . . . . . . . . 38.3 tpt85 -163.32 135.53 5.2 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-N 123.874 3.034 . . . . 22.219999999999999 106.79 -168.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 62.6 t-20 -135.38 98.69 4.02 Favored 'General case' 0 C--O 1.248 1.006 0 CA-C-O 125.442 2.544 . . . . 21.010000000000002 107.757 168.254 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -89.85 10.59 23.11 Favored 'General case' 0 N--CA 1.429 -1.522 0 O-C-N 117.807 -3.058 . . . . 18.579999999999998 113.023 -176.052 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 7.3 m80 53.8 47.73 22.98 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 116.48 -3.888 . . . . 21.52 112.679 166.23 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 43.2 p -165.94 163.43 18.49 Favored 'General case' 0 C--O 1.255 1.358 0 CA-C-N 111.995 -2.366 . . . . 15.890000000000001 114.593 -175.918 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -146.41 147.83 31.67 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 105.215 -2.143 . . . . 14.710000000000001 105.215 178.768 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' THR . . . . . . . . . . . . . 82.2 m -121.05 135.08 55.28 Favored 'General case' 0 C--O 1.246 0.887 0 C-N-CA 125.862 1.665 . . . . 14.5 108.85 174.261 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 28.3 p -110.91 138.2 47.61 Favored 'General case' 0 C--O 1.269 2.119 0 CA-C-N 113.176 -1.829 . . . . 9.0700000000000003 112.745 164.959 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' TRP . . . . . . . . . . . . . 6.4 m-90 -114.05 136.0 53.39 Favored 'General case' 0 C--O 1.255 1.383 0 O-C-N 119.826 -1.796 . . . . 15.029999999999999 108.877 172.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 33.5 t -125.94 127.47 46.01 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-O 122.729 1.252 . . . . 20.440000000000001 108.559 179.617 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -178.12 -148.44 7.45 Favored Glycine 0 N--CA 1.488 2.124 1 O-C-N 115.532 -4.48 . . . . 12.289999999999999 110.414 173.331 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 25.8 pt20 -146.23 143.4 29.2 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 124.228 1.966 . . . . 22.309999999999999 114.185 -178.503 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -82.43 131.7 35.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 112.888 -1.96 . . . . 26.059999999999999 110.495 173.04 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' VAL . . . . . . . . . . . . . 96.6 t -122.44 122.64 66.73 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.169 0 N-CA-C 101.08 -3.674 . . . . 28.309999999999999 101.08 171.925 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -82.76 -171.64 47.33 Favored Glycine 0 C--O 1.242 0.602 0 O-C-N 118.475 -2.64 . . . . 34.159999999999997 111.688 -178.894 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . 109.24 -159.2 14.17 Favored Glycine 0 CA--C 1.507 -0.436 0 N-CA-C 110.696 -0.962 . . . . 30.620000000000001 110.696 172.02 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -51.44 -57.37 9.18 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 113.646 0.98 . . . . 30.77 113.646 -178.145 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.68 73.02 0.8 Allowed 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 125.965 2.793 . . . . 31.550000000000001 109.421 178.689 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.97 136.27 57.19 Favored 'General case' 0 N--CA 1.433 -1.31 0 CA-C-N 110.922 -2.854 . . . . 23.079999999999998 104.046 178.203 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -141.12 161.11 38.63 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-O 122.691 1.234 . . . . 32.909999999999997 112.491 169.067 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 59.2 mt -118.41 115.04 46.94 Favored 'Isoleucine or valine' 0 C--O 1.251 1.132 0 N-CA-C 102.286 -3.228 . . . . 18.440000000000001 102.286 170.623 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -101.04 131.12 47.08 Favored 'General case' 0 CA--C 1.506 -0.729 0 N-CA-C 105.557 -2.016 . . . . 33.490000000000002 105.557 179.524 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 71.5 p -139.17 160.56 39.5 Favored 'General case' 0 C--O 1.279 2.619 0 O-C-N 119.822 -1.799 . . . . 16.07 108.963 -171.614 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -120.58 151.12 39.85 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 104.078 -2.564 . . . . 27.739999999999998 104.078 163.443 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 32.3 p-90 -136.71 157.71 46.14 Favored 'General case' 0 N--CA 1.433 -1.276 0 CA-C-N 122.227 2.285 . . . . 14.35 107.5 -174.505 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 39.1 mt -130.77 126.93 37.65 Favored 'General case' 0 C--O 1.241 0.615 0 N-CA-C 103.541 -2.763 . . . . 16.190000000000001 103.541 175.413 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 3.3 tp -110.55 115.42 29.59 Favored 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 125.605 1.562 . . . . 18.420000000000002 109.775 173.894 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 86.6 m -108.4 134.08 51.7 Favored 'General case' 0 C--N 1.315 -0.913 0 O-C-N 118.302 -2.748 . . . . 14.57 108.318 176.774 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 53.7 m -100.8 147.13 26.43 Favored 'General case' 0 C--O 1.248 0.989 0 O-C-N 121.486 -0.759 . . . . 19.640000000000001 109.786 169.903 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -66.11 125.45 27.26 Favored Glycine 0 N--CA 1.484 1.881 0 O-C-N 119.992 -1.692 . . . . 20.550000000000001 109.869 170.878 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 57.3 p -128.41 169.57 14.14 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-O 122.501 1.143 . . . . 24.989999999999998 109.692 -177.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 62.2 p -73.88 163.01 28.49 Favored 'General case' 0 C--O 1.246 0.898 0 N-CA-C 108.18 -1.044 . . . . 31.809999999999999 108.18 167.425 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -70.77 -21.71 62.47 Favored 'General case' 0 N--CA 1.443 -0.824 0 O-C-N 118.679 -2.513 . . . . 41.649999999999999 111.927 -174.306 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.32 -23.22 64.7 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 121.143 1.792 . . . . 32.149999999999999 112.17 173.749 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -105.94 1.86 27.01 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 114.865 1.432 . . . . 44.520000000000003 114.865 -177.738 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -50.96 -39.85 56.13 Favored 'General case' 0 N--CA 1.432 -1.367 0 CA-C-N 114.228 -1.351 . . . . 24.960000000000001 110.458 -178.476 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 120' ' ' TRP . . . . . . . . . . . . . 34.2 p-90 -62.04 -21.92 65.3 Favored 'General case' 0 N--CA 1.454 -0.263 0 O-C-N 119.449 -2.032 . . . . 36.409999999999997 112.976 -175.552 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 46.3 pttt -113.54 35.02 4.21 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 124.514 2.102 . . . . 26.66 113.238 173.655 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 80.7 p -80.14 -14.36 58.54 Favored 'General case' 0 C--O 1.245 0.853 0 O-C-N 118.325 -2.734 . . . . 18.09 116.604 179.559 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 84.4 m -134.59 118.48 17.28 Favored 'General case' 0 N--CA 1.5 2.048 0 CA-C-O 124.944 2.307 . . . . 10.83 112.635 -163.1 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 62.3 mt -93.59 150.69 20.22 Favored 'General case' 0 C--O 1.243 0.716 0 C-N-CA 126.155 1.782 . . . . 18.670000000000002 110.247 174.228 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 7.1 p -125.31 148.11 29.87 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.352 0 O-C-N 124.315 1.01 . . . . 9.4199999999999999 108.919 176.236 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . -169.32 -158.45 13.23 Favored Glycine 0 C--N 1.301 -1.391 0 N-CA-C 109.077 -1.609 . . . . 10.75 109.077 165.233 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 127' ' ' HIS . . . . . . . . . . . . . 23.9 p80 -146.69 150.3 35.13 Favored 'General case' 0 C--N 1.291 -1.965 0 N-CA-C 112.34 0.496 . . . . 26.379999999999999 112.34 -176.176 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -136.5 145.15 44.79 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 119.497 -2.002 . . . . 30.16 112.227 173.632 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 129' ' ' THR . . . . . . . . . . . . . 32.6 m -111.23 133.05 53.86 Favored 'General case' 0 C--N 1.317 -0.84 0 O-C-N 120.867 -1.146 . . . . 22.100000000000001 110.034 166.147 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -113.7 141.53 47.13 Favored 'General case' 0 N--CA 1.428 -1.554 0 N-CA-C 105.606 -1.998 . . . . 18.199999999999999 105.606 -179.337 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 41.3 p -129.06 167.59 17.3 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 114.053 -1.43 . . . . 23.969999999999999 108.943 176.246 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -84.85 -7.71 59.07 Favored 'General case' 0 C--N 1.346 0.432 0 N-CA-C 113.88 1.067 . . . . 24.32 113.88 -176.248 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 3.0 t . . . . . 0 N--CA 1.43 -1.46 0 N-CA-C 102.409 -3.182 . . . . 35.869999999999997 102.409 -169.575 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' P' P ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.009 . . . . . . . . 46.039999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' P' P ' 1' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER 59.25 60.68 2.28 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 127.238 2.215 . . . . 51.509999999999998 105.654 . -146.78 -127.832 73.399 104.164 2.028 108.978 144.099 -61.389 2 2 . 1 . 001 ecloud orig full ' P' P ' 2' ' ' HIS . . . . . 0.48 ' CE1' ' H ' ' P' ' 4' ' ' GLN . 56.9 t-80 -55.87 133.14 73.21 Favored Pre-proline 0 C--O 1.248 0.999 0 CA-C-N 112.201 -2.272 . . . . 43.75 106.379 -174.426 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' P' P ' 3' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_endo -48.31 -33.18 21.58 Favored 'Trans proline' 0 C--O 1.207 -1.073 0 C-N-CA 122.895 2.397 . . . . 43.420000000000002 116.454 177.594 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 4' ' ' GLN . . . . . 0.48 ' H ' ' CE1' ' P' ' 2' ' ' HIS . 45.7 tt0 -64.07 -16.27 61.38 Favored 'General case' 0 CA--C 1.547 0.854 0 O-C-N 116.657 -3.777 . . . . 49.780000000000001 116.556 170.144 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' P' P ' 5' ' ' GLY . . . . . . . . . . . . . . . -94.51 -177.38 38.58 Favored Glycine 0 N--CA 1.445 -0.72 0 O-C-N 119.398 -2.064 . . . . 65.819999999999993 109.08 -174.637 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -98.01 134.03 0.32 Allowed 'Trans proline' 0 CA--C 1.55 1.304 0 C-N-CA 123.044 2.496 . . . . 72.590000000000003 116.12 165.837 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 7' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -82.62 -137.04 0.14 OUTLIER 'Cis proline' 0 N--CA 1.454 -0.796 0 CA-C-N 127.472 3.704 . . . . 67.310000000000002 109.241 -14.005 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 8' ' ' CYS . . . . . . . . . . . . . 74.8 m 79.86 67.2 0.03 OUTLIER 'General case' 0 C--N 1.344 0.346 0 CA-C-O 124.78 2.228 . . . . 61.219999999999999 110.822 167.794 -61.389 144.099 73.399 108.978 2.028 104.164 -127.832 -146.78 1 1 . 1 . 001 ecloud orig full ' P' P ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.244 0 O-C-N 118.882 -2.387 . . . . 59.560000000000002 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 165' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 173' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 175' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 192' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 193' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 253' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 255' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 263' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 269' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 274' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 278' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 279' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 283' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 293' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 340' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 358' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 359' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 380' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 383' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 384' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 400' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 416' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 421' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 427' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 429' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 438' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 445' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 447' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 455' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 472' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 500' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 512' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 522' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 538' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 544' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 548' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 13' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' B' ' 421' ' ' HOH . . . . . . . . 0 N--CA 1.434 -1.266 0 N-CA-C 100.943 -3.725 . . . . 42.159999999999997 100.943 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 35.66 -76.16 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 124.905 3.502 . . . . 49.060000000000002 115.557 -167.857 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.89 -38.67 89.19 Favored 'General case' 0 N--CA 1.442 -0.852 0 O-C-N 120.919 -1.113 . . . . 40.299999999999997 108.315 178.321 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.36 -30.73 75.62 Favored Glycine 0 CA--C 1.528 0.896 0 O-C-N 119.84 -1.788 . . . . 32.390000000000001 114.768 -177.048 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 97.0 mt -77.07 -46.65 28.6 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 C-N-CA 123.559 0.744 . . . . 22.289999999999999 111.768 -177.257 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 89.6 m -52.21 134.27 33.39 Favored 'General case' 0 C--O 1.253 1.243 0 CA-C-O 123.287 1.517 . . . . 22.039999999999999 108.481 179.113 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 137.72 -158.59 24.65 Favored Glycine 0 CA--C 1.529 0.951 0 CA-C-N 112.992 -1.913 . . . . 21.460000000000001 111.862 178.969 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 80.9 m -111.11 137.37 48.85 Favored 'General case' 0 CA--C 1.499 -0.989 0 N-CA-C 107.112 -1.44 . . . . 18.699999999999999 107.112 -173.89 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 96.0 m95 -131.51 142.39 49.94 Favored 'General case' 0 N--CA 1.438 -1.052 0 C-N-CA 125.709 1.603 . . . . 19.27 109.741 -177.323 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -123.59 143.02 50.48 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-O 116.213 -1.851 . . . . 18.760000000000002 109.259 -174.221 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 53.3 p30 -108.59 -176.21 2.98 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-N 123.568 2.894 . . . . 24.399999999999999 112.538 169.505 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 9.1 pm0 -60.5 -26.18 66.64 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 117.155 2.28 . . . . 34.130000000000003 117.155 177.874 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 7.8 mt -96.26 11.08 35.82 Favored 'General case' 0 CA--C 1.515 -0.4 0 C-N-CA 126.667 1.987 . . . . 40.869999999999997 113.582 -170.745 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.55 -13.96 66.36 Favored Glycine 0 CA--C 1.537 1.43 0 CA-C-O 115.674 -2.737 . . . . 35.609999999999999 116.749 -174.066 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 8.1 m -76.19 155.07 34.85 Favored 'General case' 0 C--N 1.346 0.423 1 CA-C-N 124.531 4.165 . . . . 25.539999999999999 115.53 -177.805 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 28' ' ' THR . . . . . 0.469 ' HB ' ' HG3' ' B' ' 44' ' ' GLU . 47.3 m -125.89 139.97 53.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 117.874 -1.06 . . . . 32.630000000000003 108.584 -179.018 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -134.59 149.18 50.58 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 123.16 2.709 . . . . 25.739999999999998 115.909 155.09 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 58.4 mt -112.98 124.9 70.07 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 N-CA-C 105.946 -1.872 . . . . 30.469999999999999 105.946 -178.24 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 8.7 p -137.02 142.56 37.28 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 CA-C-N 120.436 1.471 . . . . 17.850000000000001 112.262 -179.318 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 53.1 m -103.51 127.48 50.9 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 113.801 -1.545 . . . . 25.5 110.771 167.439 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -99.21 114.08 26.68 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 103.773 -2.677 . . . . 23.66 103.773 175.835 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -93.62 158.93 23.71 Favored Glycine 0 N--CA 1.438 -1.2 0 N-CA-C 106.084 -2.807 . . . . 34.759999999999998 106.084 -173.572 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.18 -47.71 71.74 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 116.025 1.861 . . . . 39.789999999999999 116.025 -168.954 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -92.91 48.09 1.32 Allowed 'General case' 0 CA--C 1.559 1.297 0 N-CA-C 118.591 2.812 . . . . 34.07 118.591 -178.333 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.91 -2.49 79.77 Favored Glycine 0 N--CA 1.427 -1.953 0 O-C-N 118.207 -2.808 . . . . 22.07 118.936 177.967 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.36 141.44 28.63 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-N 120.61 2.205 . . . . 20.579999999999998 107.745 -169.462 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 72.7 mt -116.34 133.72 55.7 Favored 'General case' 0 C--O 1.248 0.979 0 N-CA-C 107.138 -1.43 . . . . 18.440000000000001 107.138 164.255 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 28.0 p -141.49 146.32 36.28 Favored 'General case' 0 C--O 1.249 1.069 0 CA-C-O 117.524 -1.227 . . . . 24.420000000000002 109.165 173.14 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 169.47 -143.91 8.27 Favored Glycine 0 N--CA 1.475 1.26 0 O-C-N 123.798 0.686 . . . . 15.23 112.022 169.799 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 73.1 p -143.55 148.46 35.99 Favored 'General case' 0 CA--C 1.495 -1.163 0 O-C-N 119.978 -1.895 . . . . 22.690000000000001 107.327 -172.397 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -111.05 129.37 55.93 Favored 'General case' 0 CA--C 1.479 -1.774 0 CA-C-O 115.161 -2.352 . . . . 22.27 105.757 -179.391 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' GLU . . . . . 0.469 ' HG3' ' HB ' ' B' ' 28' ' ' THR . 0.9 OUTLIER -123.74 121.02 34.38 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 123.365 2.802 . . . . 55.770000000000003 107.051 172.54 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.65 -50.09 75.21 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 117.257 2.318 . . . . 61.149999999999999 117.257 174.965 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -177.5 -172.32 0.36 Allowed 'General case' 0 C--N 1.346 0.455 0 CA-C-N 122.768 2.531 . . . . 61.740000000000002 111.206 -166.266 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 15.0 t 58.93 -55.05 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.248 0 C-N-CA 128.704 2.802 . . . . 64.579999999999998 114.252 176.415 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.75 50.49 0.69 Allowed Glycine 0 C--N 1.332 0.326 0 CA-C-N 123.621 2.919 . . . . 64.290000000000006 108.489 176.64 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' ASN . . . . . 0.573 ' ND2' ' HG3' ' B' ' 51' ' ' GLU . 10.2 p-10 -151.75 142.92 23.26 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 107.941 -1.133 . . . . 63.090000000000003 107.941 -162.481 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.72 -30.66 23.16 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 114.996 1.48 . . . . 56.43 114.996 -177.214 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' GLU . . . . . 0.573 ' HG3' ' ND2' ' B' ' 49' ' ' ASN . 0.7 OUTLIER -62.33 -17.39 58.72 Favored 'General case' 0 N--CA 1.441 -0.888 0 N-CA-C 117.664 2.468 . . . . 49.289999999999999 117.664 178.784 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 23.5 p -105.05 12.74 31.85 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 121.34 1.882 . . . . 42.57 111.681 176.459 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 80.9 mtm-85 -97.28 125.01 41.58 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-O 123.376 1.56 . . . . 36.789999999999999 112.581 178.262 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -123.12 144.18 49.49 Favored 'General case' 0 C--O 1.244 0.791 0 C-N-CA 125.891 1.676 . . . . 20.469999999999999 110.361 -178.535 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 68.5 t -64.78 131.69 30.57 Favored 'Isoleucine or valine' 0 C--O 1.252 1.23 1 O-C-N 115.951 -4.218 . . . . 14.529999999999999 114.162 174.044 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.4 pp -112.87 156.25 23.26 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-O 124.815 2.245 . . . . 18.68 113.688 162.132 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 5.4 t -149.39 138.68 21.46 Favored 'General case' 0 N--CA 1.433 -1.296 0 O-C-N 120.667 -1.271 . . . . 22.260000000000002 109.285 175.357 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -161.49 -165.71 18.84 Favored Glycine 0 C--O 1.262 1.876 0 CA-C-O 123.431 1.573 . . . . 12.960000000000001 112.033 179.408 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -140.11 151.62 45.48 Favored 'General case' 0 C--O 1.247 0.966 0 CA-C-O 123.84 1.781 . . . . 21.539999999999999 108.971 -178.621 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 21.9 p90 -129.75 156.05 44.93 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 118.364 -2.71 . . . . 23.199999999999999 108.959 168.641 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -107.95 98.77 8.29 Favored 'General case' 0 C--N 1.315 -0.898 0 O-C-N 118.292 -2.755 . . . . 25.539999999999999 110.512 -178.756 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 22.6 t -64.41 124.07 20.83 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 112.493 -2.139 . . . . 45.909999999999997 114.461 176.225 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -135.95 129.47 18.15 Favored Pre-proline 0 N--CA 1.431 -1.394 0 CA-C-O 115.453 -2.213 . . . . 56.420000000000002 114.02 -174.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_endo -56.11 104.34 0.13 Allowed 'Trans proline' 0 CA--C 1.546 1.114 0 C-N-CA 123.413 2.742 . . . . 61.770000000000003 115.954 159.78 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -121.39 128.13 51.9 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 123.243 1.496 . . . . 66.590000000000003 113.964 -167.565 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.82 4.37 27.42 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 113.079 -1.873 . . . . 68.950000000000003 115.605 -174.548 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -141.4 19.35 2.22 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 119.777 -1.827 . . . . 64.390000000000001 113.485 -162.949 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.1 22.02 72.2 Favored Glycine 0 CA--C 1.55 2.256 0 N-CA-C 120.963 3.145 . . . . 50.759999999999998 120.963 -175.728 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 50.7 m -62.05 151.96 33.95 Favored 'General case' 0 C--O 1.251 1.159 0 N-CA-C 120.466 3.506 . . . . 39.649999999999999 120.466 165.723 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -72.44 156.7 52.29 Favored Glycine 0 N--CA 1.434 -1.495 0 N-CA-C 109.23 -1.548 . . . . 23.77 109.23 172.715 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 51.6 m -89.19 119.85 30.05 Favored 'General case' 0 CA--C 1.563 1.452 0 C-N-CA 124.39 1.076 . . . . 22.829999999999998 111.769 168.882 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.44 136.23 44.22 Favored 'General case' 0 C--O 1.26 1.611 0 O-C-N 117.478 -3.264 . . . . 16.050000000000001 111.262 178.782 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 2.5 pp -150.16 171.93 16.11 Favored 'General case' 0 CA--C 1.569 1.687 0 CA-C-O 122.97 1.367 . . . . 22.879999999999999 109.589 179.667 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 74' ' ' GLY . . . . . 0.43 ' HA2' ' O ' ' B' ' 92' ' ' TRP . . . -165.31 146.58 11.33 Favored Glycine 0 C--O 1.252 1.245 0 N-CA-C 108.1 -2.0 . . . . 12.9 108.1 -178.905 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 75' ' ' TRP . . . . . . . . . . . . . 45.4 p90 -146.01 164.73 31.16 Favored 'General case' 1 C--O 1.317 4.617 0 N-CA-C 107.001 -1.481 . . . . 14.890000000000001 107.001 173.036 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 76' ' ' THR . . . . . . . . . . . . . 89.9 m -125.02 140.04 53.26 Favored 'General case' 0 CA--C 1.558 1.252 0 C-N-CA 127.082 2.153 . . . . 11.0 107.79 -177.94 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 71.4 t -125.99 126.96 70.64 Favored 'Isoleucine or valine' 0 C--N 1.357 0.892 0 N-CA-C 101.657 -3.46 . . . . 13.640000000000001 101.657 169.065 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -93.46 130.46 39.28 Favored 'General case' 0 CA--C 1.494 -1.182 0 N-CA-C 106.571 -1.64 . . . . 13.17 106.571 164.469 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' TRP . . . . . . . . . . . . . 85.7 m95 -86.01 62.88 7.71 Favored 'General case' 0 CA--C 1.569 1.703 0 CA-C-O 123.205 1.479 . . . . 16.23 111.083 -169.974 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 54.5 tttm -139.67 123.35 17.4 Favored 'General case' 0 N--CA 1.428 -1.55 0 N-CA-C 104.821 -2.288 . . . . 42.399999999999999 104.821 178.615 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 81' ' ' ASN . . . . . . . . . . . . . 55.8 p30 -136.41 -156.83 0.74 Allowed 'General case' 0 N--CA 1.439 -0.999 0 CA-C-N 113.885 -1.507 . . . . 21.91 110.341 166.114 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 82' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -81.91 -2.53 51.57 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 123.136 2.698 . . . . 43.829999999999998 116.048 -178.914 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 83' ' ' TYR . . . . . 0.42 ' CD2' ' HB3' ' B' ' 51' ' ' GLU . 0.4 OUTLIER -124.61 -1.36 8.0 Favored 'General case' 0 N--CA 1.42 -1.964 0 O-C-N 119.255 -2.153 . . . . 52.020000000000003 108.954 -178.008 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 84' ' ' ARG . . . . . . . . . . . . . 38.3 tpt85 -163.32 135.53 5.2 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-N 123.874 3.034 . . . . 24.670000000000002 106.79 -168.95 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 62.6 t-20 -135.38 98.69 4.02 Favored 'General case' 0 C--O 1.248 1.006 0 CA-C-O 125.442 2.544 . . . . 21.010000000000002 107.757 168.254 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -89.85 10.59 23.11 Favored 'General case' 0 N--CA 1.429 -1.522 0 O-C-N 117.807 -3.058 . . . . 18.579999999999998 113.023 -176.052 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 7.3 m80 53.8 47.73 22.98 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 116.48 -3.888 . . . . 21.52 112.679 166.23 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 43.2 p -165.94 163.43 18.49 Favored 'General case' 0 C--O 1.255 1.358 0 CA-C-N 111.995 -2.366 . . . . 15.57 114.593 -175.918 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -146.41 147.83 31.67 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 105.215 -2.143 . . . . 14.710000000000001 105.215 178.768 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 90' ' ' THR . . . . . . . . . . . . . 82.2 m -121.05 135.08 55.28 Favored 'General case' 0 C--O 1.246 0.887 0 C-N-CA 125.862 1.665 . . . . 14.5 108.85 174.261 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 28.3 p -110.91 138.2 47.61 Favored 'General case' 0 C--O 1.269 2.119 0 CA-C-N 113.176 -1.829 . . . . 9.0700000000000003 112.745 164.959 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 92' ' ' TRP . . . . . 0.43 ' O ' ' HA2' ' B' ' 74' ' ' GLY . 6.4 m-90 -114.05 136.0 53.39 Favored 'General case' 0 C--O 1.255 1.383 0 O-C-N 119.826 -1.796 . . . . 15.029999999999999 108.877 172.822 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 33.5 t -125.94 127.47 46.01 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-O 122.729 1.252 . . . . 20.440000000000001 108.559 179.617 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -178.12 -148.44 7.45 Favored Glycine 0 N--CA 1.488 2.124 1 O-C-N 115.532 -4.48 . . . . 12.289999999999999 110.414 173.331 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 25.8 pt20 -146.23 143.4 29.2 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 124.228 1.966 . . . . 22.010000000000002 114.185 -178.503 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -82.43 131.7 35.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 112.888 -1.96 . . . . 26.059999999999999 110.495 173.04 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 97' ' ' VAL . . . . . . . . . . . . . 96.6 t -122.44 122.64 66.73 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.169 0 N-CA-C 101.08 -3.674 . . . . 28.309999999999999 101.08 171.925 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -82.76 -171.64 47.33 Favored Glycine 0 C--O 1.242 0.602 0 O-C-N 118.475 -2.64 . . . . 34.159999999999997 111.688 -178.894 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . 109.24 -159.2 14.17 Favored Glycine 0 CA--C 1.507 -0.436 0 N-CA-C 110.696 -0.962 . . . . 30.620000000000001 110.696 172.02 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -51.44 -57.37 9.18 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 113.646 0.98 . . . . 30.77 113.646 -178.145 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.68 73.02 0.8 Allowed 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 125.965 2.793 . . . . 31.550000000000001 109.421 178.689 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.97 136.27 57.19 Favored 'General case' 0 N--CA 1.433 -1.31 0 CA-C-N 110.922 -2.854 . . . . 23.079999999999998 104.046 178.203 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -141.12 161.11 38.63 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-O 122.691 1.234 . . . . 32.909999999999997 112.491 169.067 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 59.2 mt -118.41 115.04 46.94 Favored 'Isoleucine or valine' 0 C--O 1.251 1.132 0 N-CA-C 102.286 -3.228 . . . . 18.100000000000001 102.286 170.623 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -101.04 131.12 47.08 Favored 'General case' 0 CA--C 1.506 -0.729 0 N-CA-C 105.557 -2.016 . . . . 33.490000000000002 105.557 179.524 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 71.5 p -139.17 160.56 39.5 Favored 'General case' 0 C--O 1.279 2.619 0 O-C-N 119.822 -1.799 . . . . 16.07 108.963 -171.614 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 107' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -120.58 151.12 39.85 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 104.078 -2.564 . . . . 27.739999999999998 104.078 163.443 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 32.3 p-90 -136.71 157.71 46.14 Favored 'General case' 0 N--CA 1.433 -1.276 0 CA-C-N 122.227 2.285 . . . . 14.35 107.5 -174.505 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 39.1 mt -130.77 126.93 37.65 Favored 'General case' 0 C--O 1.241 0.615 0 N-CA-C 103.541 -2.763 . . . . 16.190000000000001 103.541 175.413 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 3.3 tp -110.55 115.42 29.59 Favored 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 125.605 1.562 . . . . 18.420000000000002 109.775 173.894 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 86.6 m -108.4 134.08 51.7 Favored 'General case' 0 C--N 1.315 -0.913 0 O-C-N 118.302 -2.748 . . . . 14.57 108.318 176.774 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 53.7 m -100.8 147.13 26.43 Favored 'General case' 0 C--O 1.248 0.989 0 O-C-N 121.486 -0.759 . . . . 19.640000000000001 109.786 169.903 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -66.11 125.45 27.26 Favored Glycine 0 N--CA 1.484 1.881 0 O-C-N 119.992 -1.692 . . . . 20.550000000000001 109.869 170.878 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 57.3 p -128.41 169.57 14.14 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-O 122.501 1.143 . . . . 24.989999999999998 109.692 -177.744 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 62.2 p -73.88 163.01 28.49 Favored 'General case' 0 C--O 1.246 0.898 0 N-CA-C 108.18 -1.044 . . . . 31.510000000000002 108.18 167.425 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -70.77 -21.71 62.47 Favored 'General case' 0 N--CA 1.443 -0.824 0 O-C-N 118.679 -2.513 . . . . 41.649999999999999 111.927 -174.306 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.32 -23.22 64.7 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 121.143 1.792 . . . . 31.66 112.17 173.749 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -105.94 1.86 27.01 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 114.865 1.432 . . . . 44.520000000000003 114.865 -177.738 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -50.96 -39.85 56.13 Favored 'General case' 0 N--CA 1.432 -1.367 0 CA-C-N 114.228 -1.351 . . . . 24.960000000000001 110.458 -178.476 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 120' ' ' TRP . . . . . . . . . . . . . 34.2 p-90 -62.04 -21.92 65.3 Favored 'General case' 0 N--CA 1.454 -0.263 0 O-C-N 119.449 -2.032 . . . . 36.409999999999997 112.976 -175.552 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 46.3 pttt -113.54 35.02 4.21 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 124.514 2.102 . . . . 26.66 113.238 173.655 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 80.7 p -80.14 -14.36 58.54 Favored 'General case' 0 C--O 1.245 0.853 0 O-C-N 118.325 -2.734 . . . . 17.989999999999998 116.604 179.559 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 84.4 m -134.59 118.48 17.28 Favored 'General case' 0 N--CA 1.5 2.048 0 CA-C-O 124.944 2.307 . . . . 10.83 112.635 -163.1 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 62.3 mt -93.59 150.69 20.22 Favored 'General case' 0 C--O 1.243 0.716 0 C-N-CA 126.155 1.782 . . . . 18.670000000000002 110.247 174.228 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 7.1 p -125.31 148.11 29.87 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.352 0 O-C-N 124.315 1.01 . . . . 9.4199999999999999 108.919 176.236 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . -169.32 -158.45 13.23 Favored Glycine 0 C--N 1.301 -1.391 0 N-CA-C 109.077 -1.609 . . . . 10.75 109.077 165.233 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 127' ' ' HIS . . . . . . . . . . . . . 23.9 p80 -146.69 150.3 35.13 Favored 'General case' 0 C--N 1.291 -1.965 0 N-CA-C 112.34 0.496 . . . . 26.050000000000001 112.34 -176.176 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -136.5 145.15 44.79 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 119.497 -2.002 . . . . 30.16 112.227 173.632 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 129' ' ' THR . . . . . . . . . . . . . 32.6 m -111.23 133.05 53.86 Favored 'General case' 0 C--N 1.317 -0.84 0 O-C-N 120.867 -1.146 . . . . 22.100000000000001 110.034 166.147 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -113.7 141.53 47.13 Favored 'General case' 0 N--CA 1.428 -1.554 0 N-CA-C 105.606 -1.998 . . . . 18.199999999999999 105.606 -179.337 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 41.3 p -129.06 167.59 17.3 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 114.053 -1.43 . . . . 23.969999999999999 108.943 176.246 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -84.85 -7.71 59.07 Favored 'General case' 0 C--N 1.346 0.432 0 N-CA-C 113.88 1.067 . . . . 24.940000000000001 113.88 -176.248 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 3.0 t . . . . . 0 N--CA 1.43 -1.46 0 N-CA-C 102.409 -3.182 . . . . 35.869999999999997 102.409 -169.575 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' P' P ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.009 . . . . . . . . 46.039999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' P' P ' 1' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER 59.25 60.68 2.28 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 127.238 2.215 . . . . 51.509999999999998 105.654 . -146.78 -127.832 73.399 104.164 2.028 108.978 144.099 -61.389 2 2 . 1 . 001 ecloud build full ' P' P ' 2' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -55.87 133.14 73.21 Favored Pre-proline 0 C--O 1.248 0.999 0 CA-C-N 112.201 -2.272 . . . . 43.75 106.379 -174.426 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 3' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_endo -48.31 -33.18 21.58 Favored 'Trans proline' 0 C--O 1.207 -1.073 0 C-N-CA 122.895 2.397 . . . . 43.420000000000002 116.454 177.594 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -64.07 -16.27 61.38 Favored 'General case' 0 CA--C 1.547 0.854 0 O-C-N 116.657 -3.777 . . . . 49.780000000000001 116.556 170.144 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 5' ' ' GLY . . . . . . . . . . . . . . . -94.51 -177.38 38.58 Favored Glycine 0 N--CA 1.445 -0.72 0 O-C-N 119.398 -2.064 . . . . 65.819999999999993 109.08 -174.637 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -98.01 134.03 0.32 Allowed 'Trans proline' 0 CA--C 1.55 1.304 0 C-N-CA 123.044 2.496 . . . . 72.590000000000003 116.12 165.837 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 7' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -82.62 -137.04 0.14 OUTLIER 'Cis proline' 0 N--CA 1.454 -0.796 0 CA-C-N 127.472 3.704 . . . . 67.310000000000002 109.241 -14.005 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 8' ' ' CYS . . . . . . . . . . . . . 74.8 m 79.86 67.2 0.03 OUTLIER 'General case' 0 C--N 1.344 0.346 0 CA-C-O 124.78 2.228 . . . . 61.140000000000001 110.822 167.794 -61.389 144.099 73.399 108.978 2.028 104.164 -127.832 -146.78 1 1 . 1 . 001 ecloud build full ' P' P ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.244 0 O-C-N 118.882 -2.387 . . . . 59.219999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 165' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 173' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 175' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 192' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 193' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 253' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 255' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 263' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 269' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 274' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 278' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 279' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 283' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 293' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 340' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 358' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 359' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 380' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 383' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 384' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 400' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 416' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 421' ' ' HOH . . . . . 0.493 ' O ' ' HB3' ' B' ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 427' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 429' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 438' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 445' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 447' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 455' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 472' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 500' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 512' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 522' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 538' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 544' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 548' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' B' ' 421' ' ' HOH . . . . . . . . 0 N--CA 1.434 -1.266 0 N-CA-C 100.943 -3.725 . . . . 42.16 100.943 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 35.66 -76.16 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 124.905 3.502 . . . . 49.06 115.557 -167.857 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.89 -38.67 89.19 Favored 'General case' 0 N--CA 1.442 -0.852 0 O-C-N 120.919 -1.113 . . . . 40.3 108.315 178.321 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.36 -30.73 75.62 Favored Glycine 0 CA--C 1.528 0.896 0 O-C-N 119.84 -1.788 . . . . 32.39 114.768 -177.048 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 97.0 mt -77.07 -46.65 28.6 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 C-N-CA 123.559 0.744 . . . . 22.29 111.768 -177.257 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 89.6 m -52.21 134.27 33.39 Favored 'General case' 0 C--O 1.253 1.243 0 CA-C-O 123.287 1.517 . . . . 22.04 108.481 179.113 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 137.72 -158.59 24.65 Favored Glycine 0 CA--C 1.529 0.951 0 CA-C-N 112.992 -1.913 . . . . 21.46 111.862 178.969 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 80.9 m -111.11 137.37 48.85 Favored 'General case' 0 CA--C 1.499 -0.989 0 N-CA-C 107.112 -1.44 . . . . 18.7 107.112 -173.89 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 96.0 m95 -131.51 142.39 49.94 Favored 'General case' 0 N--CA 1.438 -1.052 0 C-N-CA 125.709 1.603 . . . . 19.27 109.741 -177.323 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -123.59 143.02 50.48 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-O 116.213 -1.851 . . . . 18.76 109.259 -174.221 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 53.3 p30 -108.59 -176.21 2.98 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-N 123.568 2.894 . . . . 24.4 112.538 169.505 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 9.1 pm0 -60.5 -26.18 66.64 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 117.155 2.28 . . . . 34.13 117.155 177.874 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 7.8 mt -96.26 11.08 35.82 Favored 'General case' 0 CA--C 1.515 -0.4 0 C-N-CA 126.667 1.987 . . . . 40.87 113.582 -170.745 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.55 -13.96 66.36 Favored Glycine 0 CA--C 1.537 1.43 0 CA-C-O 115.674 -2.737 . . . . 35.61 116.749 -174.066 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 8.1 m -76.19 155.07 34.85 Favored 'General case' 0 C--N 1.346 0.423 1 CA-C-N 124.531 4.165 . . . . 25.54 115.53 -177.805 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' THR . . . . . 0.469 ' HB ' ' HG3' ' B' ' 44' ' ' GLU . 47.3 m -125.89 139.97 53.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 117.874 -1.06 . . . . 32.63 108.584 -179.018 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -134.59 149.18 50.58 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 123.16 2.709 . . . . 25.74 115.909 155.09 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 58.4 mt -112.98 124.9 70.07 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 N-CA-C 105.946 -1.872 . . . . 30.47 105.946 -178.24 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 8.7 p -137.02 142.56 37.28 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 CA-C-N 120.436 1.471 . . . . 17.85 112.262 -179.318 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 53.1 m -103.51 127.48 50.9 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 113.801 -1.545 . . . . 25.5 110.771 167.439 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -99.21 114.08 26.68 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 103.773 -2.677 . . . . 23.66 103.773 175.835 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -93.62 158.93 23.71 Favored Glycine 0 N--CA 1.438 -1.2 0 N-CA-C 106.084 -2.807 . . . . 34.76 106.084 -173.572 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.18 -47.71 71.74 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 116.025 1.861 . . . . 39.79 116.025 -168.954 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -92.91 48.09 1.32 Allowed 'General case' 0 CA--C 1.559 1.297 0 N-CA-C 118.591 2.812 . . . . 34.07 118.591 -178.333 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.91 -2.49 79.77 Favored Glycine 0 N--CA 1.427 -1.953 0 O-C-N 118.207 -2.808 . . . . 22.07 118.936 177.967 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.36 141.44 28.63 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-N 120.61 2.205 . . . . 20.58 107.745 -169.462 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 72.7 mt -116.34 133.72 55.7 Favored 'General case' 0 C--O 1.248 0.979 0 N-CA-C 107.138 -1.43 . . . . 18.44 107.138 164.255 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 28.0 p -141.49 146.32 36.28 Favored 'General case' 0 C--O 1.249 1.069 0 CA-C-O 117.524 -1.227 . . . . 24.42 109.165 173.14 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 169.47 -143.91 8.27 Favored Glycine 0 N--CA 1.475 1.26 0 O-C-N 123.798 0.686 . . . . 15.23 112.022 169.799 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 73.1 p -143.55 148.46 35.99 Favored 'General case' 0 CA--C 1.495 -1.163 0 O-C-N 119.978 -1.895 . . . . 22.69 107.327 -172.397 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -111.05 129.37 55.93 Favored 'General case' 0 CA--C 1.479 -1.774 0 CA-C-O 115.161 -2.352 . . . . 22.27 105.757 -179.391 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.469 ' HG3' ' HB ' ' B' ' 28' ' ' THR . 0.9 OUTLIER -123.74 121.02 34.38 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 123.365 2.802 . . . . 55.77 107.051 172.54 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.65 -50.09 75.21 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 117.257 2.318 . . . . 61.15 117.257 174.965 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -177.5 -172.32 0.36 Allowed 'General case' 0 C--N 1.346 0.455 0 CA-C-N 122.768 2.531 . . . . 61.74 111.206 -166.266 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 15.0 t 58.93 -55.05 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.248 0 C-N-CA 128.704 2.802 . . . . 64.58 114.252 176.415 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.75 50.49 0.69 Allowed Glycine 0 C--N 1.332 0.326 0 CA-C-N 123.621 2.919 . . . . 64.29 108.489 176.64 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' ASN . . . . . 0.573 ' ND2' ' HG3' ' B' ' 51' ' ' GLU . 10.2 p-10 -151.75 142.92 23.26 Favored 'General case' 0 CA--C 1.518 -0.273 0 N-CA-C 107.941 -1.133 . . . . 63.09 107.941 -162.481 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.72 -30.66 23.16 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 114.996 1.48 . . . . 56.43 114.996 -177.214 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.573 ' HG3' ' ND2' ' B' ' 49' ' ' ASN . 0.7 OUTLIER -62.33 -17.39 58.72 Favored 'General case' 0 N--CA 1.441 -0.888 0 N-CA-C 117.664 2.468 . . . . 49.29 117.664 178.784 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 23.5 p -105.05 12.74 31.85 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 121.34 1.882 . . . . 42.57 111.681 176.459 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 80.9 mtm-85 -97.28 125.01 41.58 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-O 123.376 1.56 . . . . 36.79 112.581 178.262 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -123.12 144.18 49.49 Favored 'General case' 0 C--O 1.244 0.791 0 C-N-CA 125.891 1.676 . . . . 20.47 110.361 -178.535 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 68.5 t -64.78 131.69 30.57 Favored 'Isoleucine or valine' 0 C--O 1.252 1.23 1 O-C-N 115.951 -4.218 . . . . 14.53 114.162 174.044 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.4 pp -112.87 156.25 23.26 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-O 124.815 2.245 . . . . 18.68 113.688 162.132 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 5.4 t -149.39 138.68 21.46 Favored 'General case' 0 N--CA 1.433 -1.296 0 O-C-N 120.667 -1.271 . . . . 22.26 109.285 175.357 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -161.49 -165.71 18.84 Favored Glycine 0 C--O 1.262 1.876 0 CA-C-O 123.431 1.573 . . . . 12.96 112.033 179.408 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -140.11 151.62 45.48 Favored 'General case' 0 C--O 1.247 0.966 0 CA-C-O 123.84 1.781 . . . . 21.54 108.971 -178.621 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 21.9 p90 -129.75 156.05 44.93 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 118.364 -2.71 . . . . 23.2 108.959 168.641 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -107.95 98.77 8.29 Favored 'General case' 0 C--N 1.315 -0.898 0 O-C-N 118.292 -2.755 . . . . 25.54 110.512 -178.756 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 22.6 t -64.41 124.07 20.83 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 112.493 -2.139 . . . . 45.91 114.461 176.225 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -135.95 129.47 18.15 Favored Pre-proline 0 N--CA 1.431 -1.394 0 CA-C-O 115.453 -2.213 . . . . 56.42 114.02 -174.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_endo -56.11 104.34 0.13 Allowed 'Trans proline' 0 CA--C 1.546 1.114 0 C-N-CA 123.413 2.742 . . . . 61.77 115.954 159.78 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -121.39 128.13 51.9 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 123.243 1.496 . . . . 66.59 113.964 -167.565 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.82 4.37 27.42 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 113.079 -1.873 . . . . 68.95 115.605 -174.548 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -141.4 19.35 2.22 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 119.777 -1.827 . . . . 64.39 113.485 -162.949 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.1 22.02 72.2 Favored Glycine 0 CA--C 1.55 2.256 0 N-CA-C 120.963 3.145 . . . . 50.76 120.963 -175.728 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 50.7 m -62.05 151.96 33.95 Favored 'General case' 0 C--O 1.251 1.159 0 N-CA-C 120.466 3.506 . . . . 39.65 120.466 165.723 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -72.44 156.7 52.29 Favored Glycine 0 N--CA 1.434 -1.495 0 N-CA-C 109.23 -1.548 . . . . 23.77 109.23 172.715 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 51.6 m -89.19 119.85 30.05 Favored 'General case' 0 CA--C 1.563 1.452 0 C-N-CA 124.39 1.076 . . . . 22.83 111.769 168.882 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.44 136.23 44.22 Favored 'General case' 0 C--O 1.26 1.611 0 O-C-N 117.478 -3.264 . . . . 16.05 111.262 178.782 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 2.5 pp -150.16 171.93 16.11 Favored 'General case' 0 CA--C 1.569 1.687 0 CA-C-O 122.97 1.367 . . . . 22.88 109.589 179.667 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' GLY . . . . . 0.43 ' HA2' ' O ' ' B' ' 92' ' ' TRP . . . -165.31 146.58 11.33 Favored Glycine 0 C--O 1.252 1.245 0 N-CA-C 108.1 -2.0 . . . . 12.9 108.1 -178.905 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' TRP . . . . . . . . . . . . . 45.4 p90 -146.01 164.73 31.16 Favored 'General case' 1 C--O 1.317 4.617 0 N-CA-C 107.001 -1.481 . . . . 14.89 107.001 173.036 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' THR . . . . . . . . . . . . . 89.9 m -125.02 140.04 53.26 Favored 'General case' 0 CA--C 1.558 1.252 0 C-N-CA 127.082 2.153 . . . . 11.0 107.79 -177.94 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 71.4 t -125.99 126.96 70.64 Favored 'Isoleucine or valine' 0 C--N 1.357 0.892 0 N-CA-C 101.657 -3.46 . . . . 13.64 101.657 169.065 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -93.46 130.46 39.28 Favored 'General case' 0 CA--C 1.494 -1.182 0 N-CA-C 106.571 -1.64 . . . . 13.17 106.571 164.469 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' TRP . . . . . . . . . . . . . 85.7 m95 -86.01 62.88 7.71 Favored 'General case' 0 CA--C 1.569 1.703 0 CA-C-O 123.205 1.479 . . . . 16.23 111.083 -169.974 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 54.5 tttm -139.67 123.35 17.4 Favored 'General case' 0 N--CA 1.428 -1.55 0 N-CA-C 104.821 -2.288 . . . . 42.4 104.821 178.615 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' ASN . . . . . . . . . . . . . 55.8 p30 -136.41 -156.83 0.74 Allowed 'General case' 0 N--CA 1.439 -0.999 0 CA-C-N 113.885 -1.507 . . . . 21.91 110.341 166.114 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -81.91 -2.53 51.57 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 123.136 2.698 . . . . 43.83 116.048 -178.914 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' TYR . . . . . 0.42 ' CD2' ' HB3' ' B' ' 51' ' ' GLU . 0.4 OUTLIER -124.61 -1.36 8.0 Favored 'General case' 0 N--CA 1.42 -1.964 0 O-C-N 119.255 -2.153 . . . . 52.02 108.954 -178.008 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' ARG . . . . . . . . . . . . . 38.3 tpt85 -163.32 135.53 5.2 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-N 123.874 3.034 . . . . 24.67 106.79 -168.95 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 62.6 t-20 -135.38 98.69 4.02 Favored 'General case' 0 C--O 1.248 1.006 0 CA-C-O 125.442 2.544 . . . . 21.01 107.757 168.254 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -89.85 10.59 23.11 Favored 'General case' 0 N--CA 1.429 -1.522 0 O-C-N 117.807 -3.058 . . . . 18.58 113.023 -176.052 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 7.3 m80 53.8 47.73 22.98 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 116.48 -3.888 . . . . 21.52 112.679 166.23 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 43.2 p -165.94 163.43 18.49 Favored 'General case' 0 C--O 1.255 1.358 0 CA-C-N 111.995 -2.366 . . . . 15.57 114.593 -175.918 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -146.41 147.83 31.67 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 105.215 -2.143 . . . . 14.71 105.215 178.768 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' THR . . . . . . . . . . . . . 82.2 m -121.05 135.08 55.28 Favored 'General case' 0 C--O 1.246 0.887 0 C-N-CA 125.862 1.665 . . . . 14.5 108.85 174.261 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 28.3 p -110.91 138.2 47.61 Favored 'General case' 0 C--O 1.269 2.119 0 CA-C-N 113.176 -1.829 . . . . 9.07 112.745 164.959 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' TRP . . . . . 0.43 ' O ' ' HA2' ' B' ' 74' ' ' GLY . 6.4 m-90 -114.05 136.0 53.39 Favored 'General case' 0 C--O 1.255 1.383 0 O-C-N 119.826 -1.796 . . . . 15.03 108.877 172.822 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 33.5 t -125.94 127.47 46.01 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-O 122.729 1.252 . . . . 20.44 108.559 179.617 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' GLY . . . . . . . . . . . . . . . -178.12 -148.44 7.45 Favored Glycine 0 N--CA 1.488 2.124 1 O-C-N 115.532 -4.48 . . . . 12.29 110.414 173.331 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 25.8 pt20 -146.23 143.4 29.2 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 124.228 1.966 . . . . 22.01 114.185 -178.503 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -82.43 131.7 35.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 112.888 -1.96 . . . . 26.06 110.495 173.04 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' VAL . . . . . . . . . . . . . 96.6 t -122.44 122.64 66.73 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.169 0 N-CA-C 101.08 -3.674 . . . . 28.31 101.08 171.925 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -82.76 -171.64 47.33 Favored Glycine 0 C--O 1.242 0.602 0 O-C-N 118.475 -2.64 . . . . 34.16 111.688 -178.894 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . 109.24 -159.2 14.17 Favored Glycine 0 CA--C 1.507 -0.436 0 N-CA-C 110.696 -0.962 . . . . 30.62 110.696 172.02 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -51.44 -57.37 9.18 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 113.646 0.98 . . . . 30.77 113.646 -178.145 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.68 73.02 0.8 Allowed 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 125.965 2.793 . . . . 31.55 109.421 178.689 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.97 136.27 57.19 Favored 'General case' 0 N--CA 1.433 -1.31 0 CA-C-N 110.922 -2.854 . . . . 23.08 104.046 178.203 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -141.12 161.11 38.63 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-O 122.691 1.234 . . . . 32.91 112.491 169.067 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 59.2 mt -118.41 115.04 46.94 Favored 'Isoleucine or valine' 0 C--O 1.251 1.132 0 N-CA-C 102.286 -3.228 . . . . 18.1 102.286 170.623 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -101.04 131.12 47.08 Favored 'General case' 0 CA--C 1.506 -0.729 0 N-CA-C 105.557 -2.016 . . . . 33.49 105.557 179.524 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 71.5 p -139.17 160.56 39.5 Favored 'General case' 0 C--O 1.279 2.619 0 O-C-N 119.822 -1.799 . . . . 16.07 108.963 -171.614 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -120.58 151.12 39.85 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 104.078 -2.564 . . . . 27.74 104.078 163.443 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' TRP . . . . . . . . . . . . . 32.3 p-90 -136.71 157.71 46.14 Favored 'General case' 0 N--CA 1.433 -1.276 0 CA-C-N 122.227 2.285 . . . . 14.35 107.5 -174.505 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 39.1 mt -130.77 126.93 37.65 Favored 'General case' 0 C--O 1.241 0.615 0 N-CA-C 103.541 -2.763 . . . . 16.19 103.541 175.413 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 3.3 tp -110.55 115.42 29.59 Favored 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 125.605 1.562 . . . . 18.42 109.775 173.894 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 86.6 m -108.4 134.08 51.7 Favored 'General case' 0 C--N 1.315 -0.913 0 O-C-N 118.302 -2.748 . . . . 14.57 108.318 176.774 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 53.7 m -100.8 147.13 26.43 Favored 'General case' 0 C--O 1.248 0.989 0 O-C-N 121.486 -0.759 . . . . 19.64 109.786 169.903 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -66.11 125.45 27.26 Favored Glycine 0 N--CA 1.484 1.881 0 O-C-N 119.992 -1.692 . . . . 20.55 109.869 170.878 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 57.3 p -128.41 169.57 14.14 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-O 122.501 1.143 . . . . 24.99 109.692 -177.744 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' THR . . . . . . . . . . . . . 62.2 p -73.88 163.01 28.49 Favored 'General case' 0 C--O 1.246 0.898 0 N-CA-C 108.18 -1.044 . . . . 31.51 108.18 167.425 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -70.77 -21.71 62.47 Favored 'General case' 0 N--CA 1.443 -0.824 0 O-C-N 118.679 -2.513 . . . . 41.65 111.927 -174.306 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.32 -23.22 64.7 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 121.143 1.792 . . . . 31.66 112.17 173.749 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -105.94 1.86 27.01 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 114.865 1.432 . . . . 44.52 114.865 -177.738 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -50.96 -39.85 56.13 Favored 'General case' 0 N--CA 1.432 -1.367 0 CA-C-N 114.228 -1.351 . . . . 24.96 110.458 -178.476 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 120' ' ' TRP . . . . . . . . . . . . . 34.2 p-90 -62.04 -21.92 65.3 Favored 'General case' 0 N--CA 1.454 -0.263 0 O-C-N 119.449 -2.032 . . . . 36.41 112.976 -175.552 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 121' ' ' LYS . . . . . . . . . . . . . 46.3 pttt -113.54 35.02 4.21 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 124.514 2.102 . . . . 26.66 113.238 173.655 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 122' ' ' SER . . . . . . . . . . . . . 80.7 p -80.14 -14.36 58.54 Favored 'General case' 0 C--O 1.245 0.853 0 O-C-N 118.325 -2.734 . . . . 17.99 116.604 179.559 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 84.4 m -134.59 118.48 17.28 Favored 'General case' 0 N--CA 1.5 2.048 0 CA-C-O 124.944 2.307 . . . . 10.83 112.635 -163.1 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 62.3 mt -93.59 150.69 20.22 Favored 'General case' 0 C--O 1.243 0.716 0 C-N-CA 126.155 1.782 . . . . 18.67 110.247 174.228 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 7.1 p -125.31 148.11 29.87 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.352 0 O-C-N 124.315 1.01 . . . . 9.42 108.919 176.236 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . -169.32 -158.45 13.23 Favored Glycine 0 C--N 1.301 -1.391 0 N-CA-C 109.077 -1.609 . . . . 10.75 109.077 165.233 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 127' ' ' HIS . . . . . . . . . . . . . 23.9 p80 -146.69 150.3 35.13 Favored 'General case' 0 C--N 1.291 -1.965 0 N-CA-C 112.34 0.496 . . . . 26.05 112.34 -176.176 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 128' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -136.5 145.15 44.79 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 119.497 -2.002 . . . . 30.16 112.227 173.632 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 129' ' ' THR . . . . . . . . . . . . . 32.6 m -111.23 133.05 53.86 Favored 'General case' 0 C--N 1.317 -0.84 0 O-C-N 120.867 -1.146 . . . . 22.1 110.034 166.147 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -113.7 141.53 47.13 Favored 'General case' 0 N--CA 1.428 -1.554 0 N-CA-C 105.606 -1.998 . . . . 18.2 105.606 -179.337 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 41.3 p -129.06 167.59 17.3 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 114.053 -1.43 . . . . 23.97 108.943 176.246 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -84.85 -7.71 59.07 Favored 'General case' 0 C--N 1.346 0.432 0 N-CA-C 113.88 1.067 . . . . 24.94 113.88 -176.248 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 133' ' ' VAL . . . . . . . . . . . . . 3.0 t . . . . . 0 N--CA 1.43 -1.46 0 N-CA-C 102.409 -3.182 . . . . 35.87 102.409 -169.575 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' P' P ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.009 . . . . . . . . 46.04 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' P' P ' 1' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER 59.25 60.68 2.28 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 127.238 2.215 . . . . 51.51 105.654 . -146.78 -127.832 73.399 104.164 2.028 108.978 144.099 -61.389 2 2 . 1 . 001 ecloud nobuild full ' P' P ' 2' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -55.87 133.14 73.21 Favored Pre-proline 0 C--O 1.248 0.999 0 CA-C-N 112.201 -2.272 . . . . 43.75 106.379 -174.426 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 3' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_endo -48.31 -33.18 21.58 Favored 'Trans proline' 0 C--O 1.207 -1.073 0 C-N-CA 122.895 2.397 . . . . 43.42 116.454 177.594 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -64.07 -16.27 61.38 Favored 'General case' 0 CA--C 1.547 0.854 0 O-C-N 116.657 -3.777 . . . . 49.78 116.556 170.144 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 5' ' ' GLY . . . . . . . . . . . . . . . -94.51 -177.38 38.58 Favored Glycine 0 N--CA 1.445 -0.72 0 O-C-N 119.398 -2.064 . . . . 65.82 109.08 -174.637 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -98.01 134.03 0.32 Allowed 'Trans proline' 0 CA--C 1.55 1.304 0 C-N-CA 123.044 2.496 . . . . 72.59 116.12 165.837 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 7' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -82.62 -137.04 0.14 OUTLIER 'Cis proline' 0 N--CA 1.454 -0.796 0 CA-C-N 127.472 3.704 . . . . 67.31 109.241 -14.005 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 8' ' ' CYS . . . . . . . . . . . . . 74.8 m 79.86 67.2 0.03 OUTLIER 'General case' 0 C--N 1.344 0.346 0 CA-C-O 124.78 2.228 . . . . 61.14 110.822 167.794 -61.389 144.099 73.399 108.978 2.028 104.164 -127.832 -146.78 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.244 0 O-C-N 118.882 -2.387 . . . . 59.22 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 165' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 173' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 175' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 192' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 193' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 253' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 255' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 263' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 269' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 274' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 278' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 279' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 283' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 293' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 340' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 358' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 359' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 380' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 383' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 384' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 400' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 416' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 421' ' ' HOH . . . . . 0.493 ' O ' ' HB3' ' B' ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 427' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 429' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 438' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 445' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 447' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 455' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 472' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 500' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 512' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 522' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 538' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 544' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 548' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_