data_3e5d_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 3e5d _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 ' A' A ' 1' ' ' MSE . . . . . . . . . . . . . 46.3 mtm . . . . . 0 N--CA 1.534 3.772 0 N-CA-C 119.449 3.129 . . . . 68.920000000000002 119.449 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -164.76 165.14 20.96 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 112.831 0.678 . . . . 84.540000000000006 112.831 -177.128 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.8 mt -76.66 111.38 13.28 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.35 0 N-CA-C 109.316 -0.624 . . . . 66.239999999999995 109.316 179.59 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -81.15 -41.81 21.85 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 109.778 -0.453 . . . . 92.359999999999999 109.778 -178.12 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 12.5 p-80 -160.34 166.01 30.18 Favored 'General case' 0 CA--C 1.513 -0.45 0 C-N-CA 119.928 -0.709 . . . . 70.700000000000003 112.681 177.5 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.3 p -124.19 135.47 63.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 103.33 -2.841 . . . . 71.159999999999997 103.33 174.862 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -109.28 150.89 27.31 Favored 'General case' 0 C--O 1.224 -0.273 0 N-CA-C 112.569 0.581 . . . . 67.319999999999993 112.569 -175.332 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.7 tp -135.23 121.83 20.75 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 113.087 0.773 . . . . 66.269999999999996 113.087 -177.165 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -76.7 126.33 30.79 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 108.358 -0.979 . . . . 69.980000000000004 108.358 176.017 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.9 t -127.02 150.72 49.31 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-N 114.616 -1.175 . . . . 76.459999999999994 112.546 -174.538 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -95.9 -37.38 10.73 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 115.262 -0.881 . . . . 66.140000000000001 110.742 178.432 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -120.5 87.55 2.77 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.449 -0.782 . . . . 82.739999999999995 109.93 178.47 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.0 tp -54.03 -47.01 72.01 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 116.507 2.04 . . . . 67.299999999999997 116.507 -171.88 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -67.63 -41.46 83.86 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.97 0.73 . . . . 76.620000000000005 112.97 -177.519 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -57.3 -42.32 81.56 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 108.727 -0.842 . . . . 85.879999999999995 108.727 179.685 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' MSE . . . . . . . . . . . . . 71.5 mmm -69.16 -40.34 78.24 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 112.865 0.691 . . . . 86.780000000000001 112.865 -179.907 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -59.91 -51.1 71.12 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.725 -0.39 . . . . 70.469999999999999 110.401 179.2 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -69.82 -15.63 63.14 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 119.544 -0.862 . . . . 76.319999999999993 112.852 -177.138 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -71.51 -58.01 3.89 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 121.151 0.501 . . . . 66.609999999999999 109.659 174.948 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -63.22 -30.79 71.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.339 -0.392 . . . . 73.400000000000006 111.649 -179.827 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.6 t -70.15 -45.23 76.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 C-N-CA 120.311 -0.556 . . . . 66.219999999999999 109.971 177.606 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.8 m -65.7 -49.47 68.43 Favored 'General case' 0 C--O 1.213 -0.85 0 N-CA-C 113.985 1.105 . . . . 67.040000000000006 113.985 -179.284 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -91.87 -35.11 14.24 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 117.705 2.484 . . . . 68.569999999999993 117.705 -172.409 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -109.17 13.93 24.16 Favored 'General case' 0 C--O 1.222 -0.343 0 N-CA-C 114.845 1.424 . . . . 71.819999999999993 114.845 -177.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.62 16.93 59.49 Favored Glycine 0 C--O 1.223 -0.585 0 N-CA-C 117.227 1.651 . . . . 67.640000000000001 117.227 177.22 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.32 151.8 45.34 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 121.465 0.65 . . . . 67.510000000000005 112.378 179.42 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.5 m -115.04 131.54 56.89 Favored 'General case' 0 CA--C 1.505 -0.762 0 N-CA-C 107.009 -1.478 . . . . 67.489999999999995 107.009 175.6 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -93.96 148.87 21.74 Favored 'General case' 0 C--O 1.221 -0.447 0 O-C-N 123.683 0.614 . . . . 65.060000000000002 111.416 179.242 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 42.6 p-10 -92.83 -163.09 1.0 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 105.253 -2.128 . . . . 69.489999999999995 105.253 174.332 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -81.34 144.42 31.49 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 109.793 -0.447 . . . . 75.0 109.793 178.782 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 67.1 tp -56.63 131.57 49.29 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 108.651 -0.87 . . . . 66.099999999999994 108.651 177.504 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -102.3 147.43 26.69 Favored 'General case' 0 CA--C 1.511 -0.557 0 N-CA-C 105.217 -2.142 . . . . 67.939999999999998 105.217 173.298 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -145.5 137.66 25.6 Favored 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 119.939 -0.704 . . . . 83.349999999999994 111.636 -176.243 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 62.7 t-20 -128.53 86.54 2.47 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 105.368 -2.086 . . . . 70.709999999999994 105.368 172.836 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . . . -50.79 -40.12 54.52 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 115.329 -0.851 . . . . 70.159999999999997 111.712 -177.49 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 36.7 m -55.67 -43.1 76.03 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 114.557 1.317 . . . . 70.280000000000001 114.557 -179.31 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.5 mmmt -97.54 0.99 48.43 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 112.575 0.583 . . . . 83.129999999999995 112.575 -176.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 64.99 30.62 78.51 Favored Glycine 0 N--CA 1.473 1.106 0 N-CA-C 112.63 -0.188 . . . . 68.310000000000002 112.63 -178.329 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -102.95 138.16 40.2 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 114.004 1.113 . . . . 69.569999999999993 114.004 -175.545 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -136.58 147.81 47.19 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.303 -0.408 . . . . 75.370000000000005 109.955 175.432 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.8 p -157.69 156.47 31.76 Favored 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 114.822 1.415 . . . . 66.930000000000007 114.822 178.089 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -131.83 152.39 51.03 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 113.625 -1.625 . . . . 67.379999999999995 106.709 173.401 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -113.43 126.49 55.4 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 105.813 -1.921 . . . . 69.549999999999997 105.813 171.515 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 53.2 mt -104.79 128.49 52.96 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 108.097 -1.075 . . . . 70.200000000000003 108.097 179.263 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 71.0 m -108.19 143.6 36.77 Favored 'General case' 0 CA--C 1.507 -0.703 0 N-CA-C 109.606 -0.516 . . . . 71.650000000000006 109.606 -179.444 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -106.51 -156.7 0.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 107.935 -1.135 . . . . 71.480000000000004 107.935 177.938 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.2 tt0 -57.04 -46.32 82.51 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 119.795 -0.762 . . . . 94.769999999999996 109.662 -178.807 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.2 p30 -165.85 -179.89 5.53 Favored 'General case' 0 C--O 1.243 0.761 0 N-CA-C 106.258 -1.756 . . . . 90.459999999999994 106.258 176.695 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.21 -158.37 36.08 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.645 -0.788 . . . . 70.090000000000003 114.077 177.28 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.84 146.6 36.74 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.311 -0.445 . . . . 67.390000000000001 111.189 -176.245 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 75.9 mtm180 -101.29 164.73 11.64 Favored 'General case' 0 N--CA 1.444 -0.754 0 O-C-N 124.965 1.416 . . . . 80.069999999999993 109.426 175.952 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 33.5 tp -111.54 121.86 46.3 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 106.378 -1.712 . . . . 66.420000000000002 106.378 176.804 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -99.7 111.18 23.53 Favored 'General case' 0 CA--C 1.5 -0.961 0 N-CA-C 106.929 -1.508 . . . . 72.790000000000006 106.929 178.436 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.3 pt -101.19 129.09 52.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 N-CA-C 106.606 -1.627 . . . . 68.930000000000007 106.606 177.08 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' MSE . . . . . . . . . . . . . 10.5 ptt? -142.95 162.35 35.69 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 112.855 0.687 . . . . 72.920000000000002 112.855 -175.913 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 59.7 p -150.17 149.57 30.41 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.642 -0.708 . . . . 67.25 109.321 178.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.1 ptt-85 -152.71 143.16 22.63 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 119.562 -0.855 . . . . 73.819999999999993 109.197 167.779 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.5 p -44.8 -33.96 2.12 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 113.816 -1.538 . . . . 68.200000000000003 114.116 -174.197 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -82.57 -24.61 33.89 Favored 'General case' 0 CA--C 1.558 1.28 0 N-CA-C 115.931 1.826 . . . . 74.700000000000003 115.931 177.658 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 72.9 t -78.55 101.19 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 N-CA-C 108.113 -1.069 . . . . 67.930000000000007 108.113 178.841 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.0 t -129.19 -28.2 2.38 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 118.575 2.806 . . . . 70.629999999999995 118.575 -167.866 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -71.54 142.32 33.62 Favored Glycine 0 N--CA 1.471 1.018 0 N-CA-C 117.584 1.794 . . . . 74.310000000000002 117.584 -176.163 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -102.4 143.92 31.53 Favored 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 124.094 0.957 . . . . 76.650000000000006 108.465 177.747 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 73.3 p -96.75 132.75 42.12 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 109.866 -0.42 . . . . 82.280000000000001 109.866 178.37 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 43.5 p -56.99 -69.74 0.15 Allowed 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 117.06 2.244 . . . . 88.359999999999999 117.06 -174.297 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -121.81 -120.67 2.7 Favored Glycine 0 N--CA 1.485 1.957 0 N-CA-C 117.812 1.885 . . . . 83.989999999999995 117.812 -174.919 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -110.65 112.63 24.65 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 107.751 -1.203 . . . . 84.859999999999999 107.751 174.68 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -127.77 165.1 20.74 Favored 'General case' 0 C--O 1.243 0.713 0 N-CA-C 114.798 1.406 . . . . 76.310000000000002 114.798 -171.888 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.0 mt -59.06 137.3 58.0 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 107.1 -1.444 . . . . 68.590000000000003 107.1 176.198 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 126.57 -168.08 18.82 Favored Glycine 0 CA--C 1.508 -0.379 0 N-CA-C 109.829 -1.308 . . . . 67.780000000000001 109.829 -179.108 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 84.8 m95 -60.47 127.14 30.26 Favored 'General case' 0 C--O 1.212 -0.901 0 C-N-CA 120.754 -0.378 . . . . 73.150000000000006 110.528 -177.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -95.44 -53.58 3.7 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 116.778 2.14 . . . . 72.060000000000002 116.778 -172.86 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 17.7 p-80 -166.83 -179.56 4.81 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-O 121.064 0.459 . . . . 82.5 110.327 -178.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 23.8 pt -129.76 154.9 40.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 104.68 -2.341 . . . . 69.939999999999998 104.68 171.335 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -119.72 124.44 46.22 Favored 'General case' 0 N--CA 1.442 -0.853 0 N-CA-C 107.191 -1.411 . . . . 68.329999999999998 107.191 179.502 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.8 mp -103.66 126.49 58.14 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 N-CA-C 107.058 -1.46 . . . . 68.709999999999994 107.058 174.091 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 92.9 p -91.84 146.83 23.44 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 107.782 -1.192 . . . . 75.319999999999993 107.782 178.812 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 69.4 p -113.03 -7.0 13.7 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 124.011 0.82 . . . . 69.780000000000001 111.935 -178.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 98.85 -30.46 9.72 Favored Glycine 0 C--N 1.331 0.271 0 N-CA-C 117.008 1.563 . . . . 69.060000000000002 117.008 176.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 78.4 p -147.84 165.48 30.47 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 118.224 1.012 . . . . 66.980000000000004 112.4 -178.469 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 19.4 tttt -62.86 -49.25 75.6 Favored 'General case' 0 C--O 1.244 0.792 0 CA-C-O 122.225 1.012 . . . . 69.560000000000002 109.366 176.637 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -54.05 -40.25 66.96 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 114.644 -1.162 . . . . 85.569999999999993 109.78 -179.643 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.58 -35.88 82.44 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 112.23 0.455 . . . . 67.299999999999997 112.23 -178.873 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 24.5 t -66.84 -44.22 89.18 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 CA-C-O 121.612 0.72 . . . . 65.989999999999995 110.049 179.046 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -62.09 -49.02 77.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.492 -0.776 . . . . 67.209999999999994 110.507 -179.619 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . . . -58.95 -48.6 80.94 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 123.613 0.57 . . . . 70.099999999999994 110.173 -178.081 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 23.0 tp -68.94 -38.93 79.77 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 112.337 0.495 . . . . 66.030000000000001 112.337 -178.044 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 59.4 m -61.99 -35.29 78.07 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 121.0 0.428 . . . . 70.0 110.746 179.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -75.21 -32.51 61.21 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 114.031 1.123 . . . . 82.140000000000001 114.031 178.399 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 67.3 tttt -67.35 -42.45 83.51 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 106.837 -1.542 . . . . 82.180000000000007 106.837 178.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 38.5 mt -66.69 -41.36 88.17 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.544 -0.753 . . . . 69.560000000000002 110.669 179.129 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 7.0 ttp180 -59.17 -54.2 49.68 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 119.645 -0.822 . . . . 69.219999999999999 111.09 178.298 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -59.98 -26.95 66.43 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 124.275 0.984 . . . . 92.769999999999996 113.122 -179.581 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -87.72 7.55 29.7 Favored 'General case' 0 CA--C 1.549 0.939 0 O-C-N 123.172 0.295 . . . . 66.650000000000006 111.421 175.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 87.03 10.7 71.35 Favored Glycine 0 C--O 1.223 -0.573 0 N-CA-C 120.283 2.873 . . . . 63.229999999999997 120.283 173.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -83.01 157.73 22.81 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 118.442 1.121 . . . . 66.650000000000006 110.561 179.268 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.72 122.32 26.43 Favored 'General case' 0 N--CA 1.452 -0.354 0 O-C-N 124.162 0.914 . . . . 65.439999999999998 111.946 -176.709 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.5 mp -96.25 95.52 4.86 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.673 0 N-CA-C 107.303 -1.369 . . . . 68.049999999999997 107.303 176.003 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.79 -28.94 66.16 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 122.975 0.51 . . . . 64.549999999999997 111.989 178.778 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -142.29 121.14 1.73 Allowed Glycine 0 C--N 1.331 0.26 0 N-CA-C 111.787 -0.525 . . . . 67.450000000000003 111.787 179.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -66.84 150.78 97.5 Favored Pre-proline 0 C--O 1.238 0.472 0 N-CA-C 109.271 -0.64 . . . . 66.709999999999994 109.271 177.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.88 140.17 78.63 Favored 'Trans proline' 0 C--O 1.216 -0.588 0 O-C-N 122.224 0.592 . . . . 63.490000000000002 111.151 179.673 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 1.9 ptt-85 -175.06 165.56 3.45 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 111.835 0.309 . . . . 87.680000000000007 111.835 178.633 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' MSE . . . . . . . . . . . . . 13.2 mmm -82.93 121.52 27.08 Favored 'General case' 0 CA--C 1.509 -0.607 0 N-CA-C 107.168 -1.419 . . . . 85.469999999999999 107.168 172.989 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 71.7 p -85.76 164.83 17.35 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 107.659 -1.237 . . . . 63.420000000000002 107.659 -180.0 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -66.15 -21.82 70.28 Favored Glycine 0 C--O 1.224 -0.518 0 N-CA-C 113.948 0.339 . . . . 62.039999999999999 113.948 179.823 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 17.0 p30 -95.26 13.64 24.9 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.957 0.379 . . . . 67.519999999999996 110.161 179.56 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 83.17 33.54 23.05 Favored Glycine 0 N--CA 1.481 1.649 0 N-CA-C 122.693 3.837 . . . . 65.25 122.693 174.102 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -118.61 139.04 52.13 Favored 'General case' 0 CA--C 1.501 -0.933 0 CA-C-N 117.812 0.806 . . . . 80.920000000000002 109.362 179.684 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -97.12 111.8 23.87 Favored 'General case' 0 N--CA 1.441 -0.922 0 N-CA-C 102.633 -3.099 . . . . 67.75 102.633 170.165 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -153.98 163.92 39.28 Favored 'General case' 0 CA--C 1.5 -0.972 0 N-CA-C 113.608 0.966 . . . . 70.810000000000002 113.608 -176.477 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 85.2 p -123.55 167.51 13.82 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 103.204 -2.887 . . . . 66.469999999999999 103.204 172.154 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 58.4 t -131.07 120.05 46.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 107.423 -1.325 . . . . 68.5 107.423 177.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 11.9 m -119.94 159.83 20.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 O-C-N 124.212 0.945 . . . . 71.590000000000003 110.661 179.3 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 41.9 mt -108.88 127.51 54.11 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 122.768 0.427 . . . . 65.489999999999995 110.899 179.095 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 25.4 p30 -67.85 173.64 2.9 Favored Pre-proline 0 CA--C 1.546 0.81 0 N-CA-C 108.488 -0.931 . . . . 72.989999999999995 108.488 -179.302 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -50.58 -24.38 12.56 Favored 'Trans proline' 0 C--O 1.217 -0.57 0 N-CA-C 115.661 1.37 . . . . 67.030000000000001 115.661 -177.357 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -106.95 16.84 23.82 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 114.368 1.247 . . . . 72.489999999999995 114.368 179.106 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 88.53 2.31 79.56 Favored Glycine 0 C--O 1.22 -0.777 0 N-CA-C 118.256 2.062 . . . . 65.120000000000005 118.256 175.018 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -74.23 139.75 44.57 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 118.088 0.944 . . . . 71.200000000000003 112.681 -179.096 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 73.3 mtp85 -76.95 134.76 38.81 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 113.333 0.864 . . . . 83.760000000000005 113.333 -178.838 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 66.3 mt -134.21 123.27 43.16 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.65 0 N-CA-C 107.128 -1.434 . . . . 67.840000000000003 107.128 175.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -89.34 125.33 35.08 Favored 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 104.864 -2.273 . . . . 77.909999999999997 104.864 176.001 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 62.1 mt -100.89 105.04 17.08 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.411 0 N-CA-C 104.456 -2.424 . . . . 67.510000000000005 104.456 177.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' THR . . . . . 0.491 ' CG2' ' OXT' ' A' ' 126' ' ' TRP . 1.7 m -98.69 158.79 15.38 Favored 'General case' 0 CA--C 1.499 -0.989 0 CA-C-N 113.265 -1.788 . . . . 68.730000000000004 112.901 -173.946 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' TRP . . . . . 0.491 ' OXT' ' CG2' ' A' ' 125' ' ' THR . 0.4 OUTLIER . . . . . 0 CA--C 1.538 0.489 0 CA-C-N 116.044 -0.526 . . . . 69.480000000000004 109.731 171.541 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 200' ' ' UNL . . . . . 1.057 ' O3 ' ' O2 ' ' A' ' 200' ' ' UNL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MSE . . . . . . . . . . . . . 46.3 mtm . . . . . 0 N--CA 1.534 3.772 0 N-CA-C 119.449 3.129 . . . . 68.92 119.449 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -164.76 165.14 20.96 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 112.831 0.678 . . . . 84.54 112.831 -177.128 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.8 mt -76.66 111.38 13.28 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.35 0 N-CA-C 109.316 -0.624 . . . . 66.24 109.316 179.59 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -81.15 -41.81 21.85 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 109.778 -0.453 . . . . 92.36 109.778 -178.12 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 12.5 p-80 -160.34 166.01 30.18 Favored 'General case' 0 CA--C 1.513 -0.45 0 C-N-CA 119.928 -0.709 . . . . 70.7 112.681 177.5 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.3 p -124.19 135.47 63.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 103.33 -2.841 . . . . 71.16 103.33 174.862 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -109.28 150.89 27.31 Favored 'General case' 0 C--O 1.224 -0.273 0 N-CA-C 112.569 0.581 . . . . 67.32 112.569 -175.332 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.7 tp -135.23 121.83 20.75 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 113.087 0.773 . . . . 66.27 113.087 -177.165 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -76.7 126.33 30.79 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 108.358 -0.979 . . . . 69.98 108.358 176.017 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' THR . . . . . 0.804 HG22 ' O ' ' A' ' 55' ' ' MSE . 4.9 t -127.02 150.72 49.31 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-N 114.616 -1.175 . . . . 76.46 112.546 -174.538 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -95.9 -37.38 10.73 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 115.262 -0.881 . . . . 66.14 110.742 178.432 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -120.5 87.55 2.77 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.449 -0.782 . . . . 82.74 109.93 178.47 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.0 tp -54.03 -47.01 72.01 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 116.507 2.04 . . . . 67.3 116.507 -171.88 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -67.63 -41.46 83.86 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.97 0.73 . . . . 76.62 112.97 -177.519 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -57.3 -42.32 81.56 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 108.727 -0.842 . . . . 85.88 108.727 179.685 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' MSE . . . . . 0.585 ' HE1' ' OD2' ' A' ' 116' ' ' ASP . 71.5 mmm -69.16 -40.34 78.24 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 112.865 0.691 . . . . 86.78 112.865 -179.907 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -59.91 -51.1 71.12 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.725 -0.39 . . . . 70.47 110.401 179.2 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -69.82 -15.63 63.14 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 119.544 -0.862 . . . . 76.32 112.852 -177.138 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -71.51 -58.01 3.89 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 121.151 0.501 . . . . 66.61 109.659 174.948 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' TYR . . . . . 0.529 ' HE1' ' HE3' ' A' ' 16' ' ' MSE . 78.3 m-85 -63.22 -30.79 71.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.339 -0.392 . . . . 73.4 111.649 -179.827 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.6 t -70.15 -45.23 76.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 C-N-CA 120.311 -0.556 . . . . 66.22 109.971 177.606 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.8 m -65.7 -49.47 68.43 Favored 'General case' 0 C--O 1.213 -0.85 0 N-CA-C 113.985 1.105 . . . . 67.04 113.985 -179.284 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -91.87 -35.11 14.24 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 117.705 2.484 . . . . 68.57 117.705 -172.409 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -109.17 13.93 24.16 Favored 'General case' 0 C--O 1.222 -0.343 0 N-CA-C 114.845 1.424 . . . . 71.82 114.845 -177.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.62 16.93 59.49 Favored Glycine 0 C--O 1.223 -0.585 0 N-CA-C 117.227 1.651 . . . . 67.64 117.227 177.22 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.32 151.8 45.34 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 121.465 0.65 . . . . 67.51 112.378 179.42 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.5 m -115.04 131.54 56.89 Favored 'General case' 0 CA--C 1.505 -0.762 0 N-CA-C 107.009 -1.478 . . . . 67.49 107.009 175.6 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -93.96 148.87 21.74 Favored 'General case' 0 C--O 1.221 -0.447 0 O-C-N 123.683 0.614 . . . . 65.06 111.416 179.242 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 42.6 p-10 -92.83 -163.09 1.0 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 105.253 -2.128 . . . . 69.49 105.253 174.332 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -81.34 144.42 31.49 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 109.793 -0.447 . . . . 75.0 109.793 178.782 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 67.1 tp -56.63 131.57 49.29 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 108.651 -0.87 . . . . 66.1 108.651 177.504 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -102.3 147.43 26.69 Favored 'General case' 0 CA--C 1.511 -0.557 0 N-CA-C 105.217 -2.142 . . . . 67.94 105.217 173.298 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -145.5 137.66 25.6 Favored 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 119.939 -0.704 . . . . 83.35 111.636 -176.243 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 62.7 t-20 -128.53 86.54 2.47 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 105.368 -2.086 . . . . 70.71 105.368 172.836 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . . . -50.79 -40.12 54.52 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 115.329 -0.851 . . . . 70.16 111.712 -177.49 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 36.7 m -55.67 -43.1 76.03 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 114.557 1.317 . . . . 70.28 114.557 -179.31 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.5 mmmt -97.54 0.99 48.43 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 112.575 0.583 . . . . 83.13 112.575 -176.908 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' GLY . . . . . 0.416 ' O ' ' HA ' ' A' ' 57' ' ' ARG . . . 64.99 30.62 78.51 Favored Glycine 0 N--CA 1.473 1.106 0 N-CA-C 112.63 -0.188 . . . . 68.31 112.63 -178.329 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -102.95 138.16 40.2 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 114.004 1.113 . . . . 69.57 114.004 -175.545 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -136.58 147.81 47.19 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.303 -0.408 . . . . 75.37 109.955 175.432 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.8 p -157.69 156.47 31.76 Favored 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 114.822 1.415 . . . . 66.93 114.822 178.089 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -131.83 152.39 51.03 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 113.625 -1.625 . . . . 67.38 106.709 173.401 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -113.43 126.49 55.4 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 105.813 -1.921 . . . . 69.55 105.813 171.515 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 53.2 mt -104.79 128.49 52.96 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 108.097 -1.075 . . . . 70.2 108.097 179.263 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 71.0 m -108.19 143.6 36.77 Favored 'General case' 0 CA--C 1.507 -0.703 0 N-CA-C 109.606 -0.516 . . . . 71.65 109.606 -179.444 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -106.51 -156.7 0.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 107.935 -1.135 . . . . 71.48 107.935 177.938 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.2 tt0 -57.04 -46.32 82.51 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 119.795 -0.762 . . . . 94.77 109.662 -178.807 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.2 p30 -165.85 -179.89 5.53 Favored 'General case' 0 C--O 1.243 0.761 0 N-CA-C 106.258 -1.756 . . . . 90.46 106.258 176.695 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.21 -158.37 36.08 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.645 -0.788 . . . . 70.09 114.077 177.28 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.84 146.6 36.74 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.311 -0.445 . . . . 67.39 111.189 -176.245 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 75.9 mtm180 -101.29 164.73 11.64 Favored 'General case' 0 N--CA 1.444 -0.754 0 O-C-N 124.965 1.416 . . . . 80.07 109.426 175.952 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 33.5 tp -111.54 121.86 46.3 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 106.378 -1.712 . . . . 66.42 106.378 176.804 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -99.7 111.18 23.53 Favored 'General case' 0 CA--C 1.5 -0.961 0 N-CA-C 106.929 -1.508 . . . . 72.79 106.929 178.436 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.3 pt -101.19 129.09 52.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 N-CA-C 106.606 -1.627 . . . . 68.93 106.606 177.08 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' MSE . . . . . 0.804 ' O ' HG22 ' A' ' 10' ' ' THR . 10.5 ptt? -142.95 162.35 35.69 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 112.855 0.687 . . . . 72.92 112.855 -175.913 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 59.7 p -150.17 149.57 30.41 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.642 -0.708 . . . . 67.25 109.321 178.657 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ARG . . . . . 0.416 ' HA ' ' O ' ' A' ' 38' ' ' GLY . 10.1 ptt-85 -152.71 143.16 22.63 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 119.562 -0.855 . . . . 73.82 109.197 167.779 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.5 p -44.8 -33.96 2.12 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 113.816 -1.538 . . . . 68.2 114.116 -174.197 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -82.57 -24.61 33.89 Favored 'General case' 0 CA--C 1.558 1.28 0 N-CA-C 115.931 1.826 . . . . 74.7 115.931 177.658 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 72.9 t -78.55 101.19 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 N-CA-C 108.113 -1.069 . . . . 67.93 108.113 178.841 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.0 t -129.19 -28.2 2.38 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 118.575 2.806 . . . . 70.63 118.575 -167.866 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -71.54 142.32 33.62 Favored Glycine 0 N--CA 1.471 1.018 0 N-CA-C 117.584 1.794 . . . . 74.31 117.584 -176.163 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -102.4 143.92 31.53 Favored 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 124.094 0.957 . . . . 76.65 108.465 177.747 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 73.3 p -96.75 132.75 42.12 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 109.866 -0.42 . . . . 82.28 109.866 178.37 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 43.5 p -56.99 -69.74 0.15 Allowed 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 117.06 2.244 . . . . 88.36 117.06 -174.297 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -121.81 -120.67 2.7 Favored Glycine 0 N--CA 1.485 1.957 0 N-CA-C 117.812 1.885 . . . . 83.99 117.812 -174.919 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -110.65 112.63 24.65 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 107.751 -1.203 . . . . 84.86 107.751 174.68 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -127.77 165.1 20.74 Favored 'General case' 0 C--O 1.243 0.713 0 N-CA-C 114.798 1.406 . . . . 76.31 114.798 -171.888 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.0 mt -59.06 137.3 58.0 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 107.1 -1.444 . . . . 68.59 107.1 176.198 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 126.57 -168.08 18.82 Favored Glycine 0 CA--C 1.508 -0.379 0 N-CA-C 109.829 -1.308 . . . . 67.78 109.829 -179.108 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 84.8 m95 -60.47 127.14 30.26 Favored 'General case' 0 C--O 1.212 -0.901 0 C-N-CA 120.754 -0.378 . . . . 73.15 110.528 -177.912 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -95.44 -53.58 3.7 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 116.778 2.14 . . . . 72.06 116.778 -172.86 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 17.7 p-80 -166.83 -179.56 4.81 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-O 121.064 0.459 . . . . 82.5 110.327 -178.682 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 23.8 pt -129.76 154.9 40.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 104.68 -2.341 . . . . 69.94 104.68 171.335 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -119.72 124.44 46.22 Favored 'General case' 0 N--CA 1.442 -0.853 0 N-CA-C 107.191 -1.411 . . . . 68.33 107.191 179.502 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.8 mp -103.66 126.49 58.14 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 N-CA-C 107.058 -1.46 . . . . 68.71 107.058 174.091 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 92.9 p -91.84 146.83 23.44 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 107.782 -1.192 . . . . 75.32 107.782 178.812 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 69.4 p -113.03 -7.0 13.7 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 124.011 0.82 . . . . 69.78 111.935 -178.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 98.85 -30.46 9.72 Favored Glycine 0 C--N 1.331 0.271 0 N-CA-C 117.008 1.563 . . . . 69.06 117.008 176.682 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 78.4 p -147.84 165.48 30.47 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 118.224 1.012 . . . . 66.98 112.4 -178.469 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 19.4 tttt -62.86 -49.25 75.6 Favored 'General case' 0 C--O 1.244 0.792 0 CA-C-O 122.225 1.012 . . . . 69.56 109.366 176.637 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -54.05 -40.25 66.96 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 114.644 -1.162 . . . . 85.57 109.78 -179.643 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.58 -35.88 82.44 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 112.23 0.455 . . . . 67.3 112.23 -178.873 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 24.5 t -66.84 -44.22 89.18 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 CA-C-O 121.612 0.72 . . . . 65.99 110.049 179.046 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -62.09 -49.02 77.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.492 -0.776 . . . . 67.21 110.507 -179.619 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . . . -58.95 -48.6 80.94 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 123.613 0.57 . . . . 70.1 110.173 -178.081 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 23.0 tp -68.94 -38.93 79.77 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 112.337 0.495 . . . . 66.03 112.337 -178.044 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 59.4 m -61.99 -35.29 78.07 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 121.0 0.428 . . . . 70.0 110.746 179.362 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -75.21 -32.51 61.21 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 114.031 1.123 . . . . 82.14 114.031 178.399 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 67.3 tttt -67.35 -42.45 83.51 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 106.837 -1.542 . . . . 82.18 106.837 178.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 38.5 mt -66.69 -41.36 88.17 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.544 -0.753 . . . . 69.56 110.669 179.129 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 7.0 ttp180 -59.17 -54.2 49.68 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 119.645 -0.822 . . . . 69.22 111.09 178.298 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -59.98 -26.95 66.43 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 124.275 0.984 . . . . 92.77 113.122 -179.581 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -87.72 7.55 29.7 Favored 'General case' 0 CA--C 1.549 0.939 0 O-C-N 123.172 0.295 . . . . 66.65 111.421 175.921 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 87.03 10.7 71.35 Favored Glycine 0 C--O 1.223 -0.573 0 N-CA-C 120.283 2.873 . . . . 63.23 120.283 173.681 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -83.01 157.73 22.81 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 118.442 1.121 . . . . 66.65 110.561 179.268 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.72 122.32 26.43 Favored 'General case' 0 N--CA 1.452 -0.354 0 O-C-N 124.162 0.914 . . . . 65.44 111.946 -176.709 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.5 mp -96.25 95.52 4.86 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.673 0 N-CA-C 107.303 -1.369 . . . . 68.05 107.303 176.003 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.79 -28.94 66.16 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 122.975 0.51 . . . . 64.55 111.989 178.778 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -142.29 121.14 1.73 Allowed Glycine 0 C--N 1.331 0.26 0 N-CA-C 111.787 -0.525 . . . . 67.45 111.787 179.615 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -66.84 150.78 97.5 Favored Pre-proline 0 C--O 1.238 0.472 0 N-CA-C 109.271 -0.64 . . . . 66.71 109.271 177.858 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.88 140.17 78.63 Favored 'Trans proline' 0 C--O 1.216 -0.588 0 O-C-N 122.224 0.592 . . . . 63.49 111.151 179.673 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 1.9 ptt-85 -175.06 165.56 3.45 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 111.835 0.309 . . . . 87.68 111.835 178.633 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' MSE . . . . . 0.489 ' HE1' ' HA2' ' A' ' 108' ' ' GLY . 13.2 mmm -82.93 121.52 27.08 Favored 'General case' 0 CA--C 1.509 -0.607 0 N-CA-C 107.168 -1.419 . . . . 85.47 107.168 172.989 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 71.7 p -85.76 164.83 17.35 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 107.659 -1.237 . . . . 63.42 107.659 -180.0 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -66.15 -21.82 70.28 Favored Glycine 0 C--O 1.224 -0.518 0 N-CA-C 113.948 0.339 . . . . 62.04 113.948 179.823 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 17.0 p30 -95.26 13.64 24.9 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.957 0.379 . . . . 67.52 110.161 179.56 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' GLY . . . . . 0.489 ' HA2' ' HE1' ' A' ' 104' ' ' MSE . . . 83.17 33.54 23.05 Favored Glycine 0 N--CA 1.481 1.649 0 N-CA-C 122.693 3.837 . . . . 65.25 122.693 174.102 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -118.61 139.04 52.13 Favored 'General case' 0 CA--C 1.501 -0.933 0 CA-C-N 117.812 0.806 . . . . 80.92 109.362 179.684 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -97.12 111.8 23.87 Favored 'General case' 0 N--CA 1.441 -0.922 0 N-CA-C 102.633 -3.099 . . . . 67.75 102.633 170.165 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -153.98 163.92 39.28 Favored 'General case' 0 CA--C 1.5 -0.972 0 N-CA-C 113.608 0.966 . . . . 70.81 113.608 -176.477 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 85.2 p -123.55 167.51 13.82 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 103.204 -2.887 . . . . 66.47 103.204 172.154 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 58.4 t -131.07 120.05 46.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 107.423 -1.325 . . . . 68.5 107.423 177.283 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 11.9 m -119.94 159.83 20.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 O-C-N 124.212 0.945 . . . . 71.59 110.661 179.3 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 41.9 mt -108.88 127.51 54.11 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 122.768 0.427 . . . . 65.49 110.899 179.095 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' ASP . . . . . 0.585 ' OD2' ' HE1' ' A' ' 16' ' ' MSE . 25.4 p30 -67.85 173.64 2.9 Favored Pre-proline 0 CA--C 1.546 0.81 0 N-CA-C 108.488 -0.931 . . . . 72.99 108.488 -179.302 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -50.58 -24.38 12.56 Favored 'Trans proline' 0 C--O 1.217 -0.57 0 N-CA-C 115.661 1.37 . . . . 67.03 115.661 -177.357 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -106.95 16.84 23.82 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 114.368 1.247 . . . . 72.49 114.368 179.106 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 88.53 2.31 79.56 Favored Glycine 0 C--O 1.22 -0.777 0 N-CA-C 118.256 2.062 . . . . 65.12 118.256 175.018 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -74.23 139.75 44.57 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 118.088 0.944 . . . . 71.2 112.681 -179.096 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 73.3 mtp85 -76.95 134.76 38.81 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 113.333 0.864 . . . . 83.76 113.333 -178.838 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 66.3 mt -134.21 123.27 43.16 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.65 0 N-CA-C 107.128 -1.434 . . . . 67.84 107.128 175.95 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -89.34 125.33 35.08 Favored 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 104.864 -2.273 . . . . 77.91 104.864 176.001 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 62.1 mt -100.89 105.04 17.08 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.411 0 N-CA-C 104.456 -2.424 . . . . 67.51 104.456 177.95 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' THR . . . . . 0.803 HG22 ' OXT' ' A' ' 126' ' ' TRP . 1.7 m -98.69 158.79 15.38 Favored 'General case' 0 CA--C 1.499 -0.989 0 CA-C-N 113.265 -1.788 . . . . 68.73 112.901 -173.946 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 126' ' ' TRP . . . . . 0.803 ' OXT' HG22 ' A' ' 125' ' ' THR . 0.4 OUTLIER . . . . . 0 CA--C 1.538 0.489 0 CA-C-N 116.044 -0.526 . . . . 69.48 109.731 171.541 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 200' ' ' UNL . . . . . 1.057 ' O3 ' ' O2 ' ' A' ' 200' ' ' UNL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MSE . . . . . . . . . . . . . 46.3 mtm . . . . . 0 N--CA 1.534 3.772 0 N-CA-C 119.449 3.129 . . . . 68.920000000000002 119.449 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -164.76 165.14 20.96 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 112.831 0.678 . . . . 84.540000000000006 112.831 -177.128 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.8 mt -76.66 111.38 13.28 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.35 0 N-CA-C 109.316 -0.624 . . . . 66.239999999999995 109.316 179.59 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -81.15 -41.81 21.85 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 109.778 -0.453 . . . . 92.359999999999999 109.778 -178.12 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 12.5 p-80 -160.34 166.01 30.18 Favored 'General case' 0 CA--C 1.513 -0.45 0 C-N-CA 119.928 -0.709 . . . . 70.700000000000003 112.681 177.5 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.3 p -124.19 135.47 63.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 103.33 -2.841 . . . . 71.159999999999997 103.33 174.862 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -109.28 150.89 27.31 Favored 'General case' 0 C--O 1.224 -0.273 0 N-CA-C 112.569 0.581 . . . . 67.319999999999993 112.569 -175.332 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.7 tp -135.23 121.83 20.75 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 113.087 0.773 . . . . 66.269999999999996 113.087 -177.165 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -76.7 126.33 30.79 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 108.358 -0.979 . . . . 69.980000000000004 108.358 176.017 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' THR . . . . . 0.804 HG22 ' O ' ' A' ' 55' ' ' MSE . 4.9 t -127.02 150.72 49.31 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-N 114.616 -1.175 . . . . 76.459999999999994 112.546 -174.538 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -95.9 -37.38 10.73 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 115.262 -0.881 . . . . 66.140000000000001 110.742 178.432 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -120.5 87.55 2.77 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.449 -0.782 . . . . 82.739999999999995 109.93 178.47 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.0 tp -54.03 -47.01 72.01 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 116.507 2.04 . . . . 67.299999999999997 116.507 -171.88 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -67.63 -41.46 83.86 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.97 0.73 . . . . 76.620000000000005 112.97 -177.519 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -57.3 -42.32 81.56 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 108.727 -0.842 . . . . 85.879999999999995 108.727 179.685 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' MSE . . . . . 0.585 ' HE1' ' OD2' ' A' ' 116' ' ' ASP . 71.5 mmm -69.16 -40.34 78.24 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 112.865 0.691 . . . . 86.780000000000001 112.865 -179.907 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -59.91 -51.1 71.12 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.725 -0.39 . . . . 70.469999999999999 110.401 179.2 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -69.82 -15.63 63.14 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 119.544 -0.862 . . . . 76.319999999999993 112.852 -177.138 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -71.51 -58.01 3.89 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 121.151 0.501 . . . . 66.609999999999999 109.659 174.948 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.529 ' HE1' ' HE3' ' A' ' 16' ' ' MSE . 78.3 m-85 -63.22 -30.79 71.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.339 -0.392 . . . . 73.400000000000006 111.649 -179.827 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.6 t -70.15 -45.23 76.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 C-N-CA 120.311 -0.556 . . . . 66.219999999999999 109.971 177.606 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.8 m -65.7 -49.47 68.43 Favored 'General case' 0 C--O 1.213 -0.85 0 N-CA-C 113.985 1.105 . . . . 67.040000000000006 113.985 -179.284 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -91.87 -35.11 14.24 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 117.705 2.484 . . . . 68.569999999999993 117.705 -172.409 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -109.17 13.93 24.16 Favored 'General case' 0 C--O 1.222 -0.343 0 N-CA-C 114.845 1.424 . . . . 71.819999999999993 114.845 -177.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.62 16.93 59.49 Favored Glycine 0 C--O 1.223 -0.585 0 N-CA-C 117.227 1.651 . . . . 67.640000000000001 117.227 177.22 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.32 151.8 45.34 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 121.465 0.65 . . . . 67.510000000000005 112.378 179.42 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.5 m -115.04 131.54 56.89 Favored 'General case' 0 CA--C 1.505 -0.762 0 N-CA-C 107.009 -1.478 . . . . 67.489999999999995 107.009 175.6 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -93.96 148.87 21.74 Favored 'General case' 0 C--O 1.221 -0.447 0 O-C-N 123.683 0.614 . . . . 65.060000000000002 111.416 179.242 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 42.6 p-10 -92.83 -163.09 1.0 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 105.253 -2.128 . . . . 69.489999999999995 105.253 174.332 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -81.34 144.42 31.49 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 109.793 -0.447 . . . . 75.0 109.793 178.782 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 67.1 tp -56.63 131.57 49.29 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 108.651 -0.87 . . . . 66.099999999999994 108.651 177.504 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -102.3 147.43 26.69 Favored 'General case' 0 CA--C 1.511 -0.557 0 N-CA-C 105.217 -2.142 . . . . 67.939999999999998 105.217 173.298 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -145.5 137.66 25.6 Favored 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 119.939 -0.704 . . . . 83.349999999999994 111.636 -176.243 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 62.7 t-20 -128.53 86.54 2.47 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 105.368 -2.086 . . . . 70.709999999999994 105.368 172.836 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . . . -50.79 -40.12 54.52 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 115.329 -0.851 . . . . 70.159999999999997 111.712 -177.49 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 36.7 m -55.67 -43.1 76.03 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 114.557 1.317 . . . . 70.280000000000001 114.557 -179.31 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.5 mmmt -97.54 0.99 48.43 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 112.575 0.583 . . . . 83.129999999999995 112.575 -176.908 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.416 ' O ' ' HA ' ' A' ' 57' ' ' ARG . . . 64.99 30.62 78.51 Favored Glycine 0 N--CA 1.473 1.106 0 N-CA-C 112.63 -0.188 . . . . 68.310000000000002 112.63 -178.329 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -102.95 138.16 40.2 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 114.004 1.113 . . . . 69.569999999999993 114.004 -175.545 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -136.58 147.81 47.19 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.303 -0.408 . . . . 75.370000000000005 109.955 175.432 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.8 p -157.69 156.47 31.76 Favored 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 114.822 1.415 . . . . 66.930000000000007 114.822 178.089 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -131.83 152.39 51.03 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 113.625 -1.625 . . . . 67.379999999999995 106.709 173.401 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -113.43 126.49 55.4 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 105.813 -1.921 . . . . 69.549999999999997 105.813 171.515 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 53.2 mt -104.79 128.49 52.96 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 108.097 -1.075 . . . . 70.200000000000003 108.097 179.263 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 71.0 m -108.19 143.6 36.77 Favored 'General case' 0 CA--C 1.507 -0.703 0 N-CA-C 109.606 -0.516 . . . . 71.650000000000006 109.606 -179.444 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -106.51 -156.7 0.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 107.935 -1.135 . . . . 71.480000000000004 107.935 177.938 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.2 tt0 -57.04 -46.32 82.51 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 119.795 -0.762 . . . . 94.769999999999996 109.662 -178.807 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.2 p30 -165.85 -179.89 5.53 Favored 'General case' 0 C--O 1.243 0.761 0 N-CA-C 106.258 -1.756 . . . . 90.459999999999994 106.258 176.695 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.21 -158.37 36.08 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.645 -0.788 . . . . 70.090000000000003 114.077 177.28 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.84 146.6 36.74 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.311 -0.445 . . . . 67.390000000000001 111.189 -176.245 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 75.9 mtm180 -101.29 164.73 11.64 Favored 'General case' 0 N--CA 1.444 -0.754 0 O-C-N 124.965 1.416 . . . . 80.069999999999993 109.426 175.952 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 33.5 tp -111.54 121.86 46.3 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 106.378 -1.712 . . . . 66.420000000000002 106.378 176.804 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -99.7 111.18 23.53 Favored 'General case' 0 CA--C 1.5 -0.961 0 N-CA-C 106.929 -1.508 . . . . 72.790000000000006 106.929 178.436 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.3 pt -101.19 129.09 52.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 N-CA-C 106.606 -1.627 . . . . 68.930000000000007 106.606 177.08 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' MSE . . . . . 0.804 ' O ' HG22 ' A' ' 10' ' ' THR . 10.5 ptt? -142.95 162.35 35.69 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 112.855 0.687 . . . . 72.920000000000002 112.855 -175.913 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 59.7 p -150.17 149.57 30.41 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.642 -0.708 . . . . 67.25 109.321 178.657 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.416 ' HA ' ' O ' ' A' ' 38' ' ' GLY . 10.1 ptt-85 -152.71 143.16 22.63 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 119.562 -0.855 . . . . 73.819999999999993 109.197 167.779 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.5 p -44.8 -33.96 2.12 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 113.816 -1.538 . . . . 68.200000000000003 114.116 -174.197 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -82.57 -24.61 33.89 Favored 'General case' 0 CA--C 1.558 1.28 0 N-CA-C 115.931 1.826 . . . . 74.700000000000003 115.931 177.658 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 72.9 t -78.55 101.19 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 N-CA-C 108.113 -1.069 . . . . 67.930000000000007 108.113 178.841 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.0 t -129.19 -28.2 2.38 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 118.575 2.806 . . . . 70.629999999999995 118.575 -167.866 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -71.54 142.32 33.62 Favored Glycine 0 N--CA 1.471 1.018 0 N-CA-C 117.584 1.794 . . . . 74.310000000000002 117.584 -176.163 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . . . -102.4 143.92 31.53 Favored 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 124.094 0.957 . . . . 76.650000000000006 108.465 177.747 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 73.3 p -96.75 132.75 42.12 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 109.866 -0.42 . . . . 82.280000000000001 109.866 178.37 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 43.5 p -56.99 -69.74 0.15 Allowed 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 117.06 2.244 . . . . 88.359999999999999 117.06 -174.297 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -121.81 -120.67 2.7 Favored Glycine 0 N--CA 1.485 1.957 0 N-CA-C 117.812 1.885 . . . . 83.989999999999995 117.812 -174.919 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -110.65 112.63 24.65 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 107.751 -1.203 . . . . 84.859999999999999 107.751 174.68 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -127.77 165.1 20.74 Favored 'General case' 0 C--O 1.243 0.713 0 N-CA-C 114.798 1.406 . . . . 76.310000000000002 114.798 -171.888 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.0 mt -59.06 137.3 58.0 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 107.1 -1.444 . . . . 68.590000000000003 107.1 176.198 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 126.57 -168.08 18.82 Favored Glycine 0 CA--C 1.508 -0.379 0 N-CA-C 109.829 -1.308 . . . . 67.780000000000001 109.829 -179.108 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 84.8 m95 -60.47 127.14 30.26 Favored 'General case' 0 C--O 1.212 -0.901 0 C-N-CA 120.754 -0.378 . . . . 73.150000000000006 110.528 -177.912 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -95.44 -53.58 3.7 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 116.778 2.14 . . . . 72.060000000000002 116.778 -172.86 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 17.7 p-80 -166.83 -179.56 4.81 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-O 121.064 0.459 . . . . 82.5 110.327 -178.682 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 23.8 pt -129.76 154.9 40.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 104.68 -2.341 . . . . 69.939999999999998 104.68 171.335 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -119.72 124.44 46.22 Favored 'General case' 0 N--CA 1.442 -0.853 0 N-CA-C 107.191 -1.411 . . . . 68.329999999999998 107.191 179.502 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.8 mp -103.66 126.49 58.14 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 N-CA-C 107.058 -1.46 . . . . 68.709999999999994 107.058 174.091 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 92.9 p -91.84 146.83 23.44 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 107.782 -1.192 . . . . 75.319999999999993 107.782 178.812 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 69.4 p -113.03 -7.0 13.7 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 124.011 0.82 . . . . 69.780000000000001 111.935 -178.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 98.85 -30.46 9.72 Favored Glycine 0 C--N 1.331 0.271 0 N-CA-C 117.008 1.563 . . . . 69.060000000000002 117.008 176.682 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 78.4 p -147.84 165.48 30.47 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 118.224 1.012 . . . . 66.980000000000004 112.4 -178.469 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 19.4 tttt -62.86 -49.25 75.6 Favored 'General case' 0 C--O 1.244 0.792 0 CA-C-O 122.225 1.012 . . . . 69.560000000000002 109.366 176.637 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -54.05 -40.25 66.96 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 114.644 -1.162 . . . . 85.569999999999993 109.78 -179.643 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.58 -35.88 82.44 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 112.23 0.455 . . . . 67.299999999999997 112.23 -178.873 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 24.5 t -66.84 -44.22 89.18 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 CA-C-O 121.612 0.72 . . . . 65.989999999999995 110.049 179.046 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -62.09 -49.02 77.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.492 -0.776 . . . . 67.209999999999994 110.507 -179.619 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . . . -58.95 -48.6 80.94 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 123.613 0.57 . . . . 70.099999999999994 110.173 -178.081 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 23.0 tp -68.94 -38.93 79.77 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 112.337 0.495 . . . . 66.030000000000001 112.337 -178.044 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 59.4 m -61.99 -35.29 78.07 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 121.0 0.428 . . . . 70.0 110.746 179.362 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -75.21 -32.51 61.21 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 114.031 1.123 . . . . 82.140000000000001 114.031 178.399 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 67.3 tttt -67.35 -42.45 83.51 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 106.837 -1.542 . . . . 82.180000000000007 106.837 178.87 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 38.5 mt -66.69 -41.36 88.17 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.544 -0.753 . . . . 69.560000000000002 110.669 179.129 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 7.0 ttp180 -59.17 -54.2 49.68 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 119.645 -0.822 . . . . 69.219999999999999 111.09 178.298 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -59.98 -26.95 66.43 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 124.275 0.984 . . . . 92.769999999999996 113.122 -179.581 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -87.72 7.55 29.7 Favored 'General case' 0 CA--C 1.549 0.939 0 O-C-N 123.172 0.295 . . . . 66.650000000000006 111.421 175.921 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 87.03 10.7 71.35 Favored Glycine 0 C--O 1.223 -0.573 0 N-CA-C 120.283 2.873 . . . . 63.229999999999997 120.283 173.681 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -83.01 157.73 22.81 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 118.442 1.121 . . . . 66.650000000000006 110.561 179.268 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.72 122.32 26.43 Favored 'General case' 0 N--CA 1.452 -0.354 0 O-C-N 124.162 0.914 . . . . 65.439999999999998 111.946 -176.709 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.5 mp -96.25 95.52 4.86 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.673 0 N-CA-C 107.303 -1.369 . . . . 68.049999999999997 107.303 176.003 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.79 -28.94 66.16 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 122.975 0.51 . . . . 64.549999999999997 111.989 178.778 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -142.29 121.14 1.73 Allowed Glycine 0 C--N 1.331 0.26 0 N-CA-C 111.787 -0.525 . . . . 67.450000000000003 111.787 179.615 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -66.84 150.78 97.5 Favored Pre-proline 0 C--O 1.238 0.472 0 N-CA-C 109.271 -0.64 . . . . 66.709999999999994 109.271 177.858 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.88 140.17 78.63 Favored 'Trans proline' 0 C--O 1.216 -0.588 0 O-C-N 122.224 0.592 . . . . 63.490000000000002 111.151 179.673 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 1.9 ptt-85 -175.06 165.56 3.45 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 111.835 0.309 . . . . 87.680000000000007 111.835 178.633 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' MSE . . . . . 0.489 ' HE1' ' HA2' ' A' ' 108' ' ' GLY . 13.2 mmm -82.93 121.52 27.08 Favored 'General case' 0 CA--C 1.509 -0.607 0 N-CA-C 107.168 -1.419 . . . . 85.469999999999999 107.168 172.989 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 71.7 p -85.76 164.83 17.35 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 107.659 -1.237 . . . . 63.420000000000002 107.659 -180.0 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -66.15 -21.82 70.28 Favored Glycine 0 C--O 1.224 -0.518 0 N-CA-C 113.948 0.339 . . . . 62.039999999999999 113.948 179.823 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 17.0 p30 -95.26 13.64 24.9 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.957 0.379 . . . . 67.519999999999996 110.161 179.56 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.489 ' HA2' ' HE1' ' A' ' 104' ' ' MSE . . . 83.17 33.54 23.05 Favored Glycine 0 N--CA 1.481 1.649 0 N-CA-C 122.693 3.837 . . . . 65.25 122.693 174.102 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -118.61 139.04 52.13 Favored 'General case' 0 CA--C 1.501 -0.933 0 CA-C-N 117.812 0.806 . . . . 80.920000000000002 109.362 179.684 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -97.12 111.8 23.87 Favored 'General case' 0 N--CA 1.441 -0.922 0 N-CA-C 102.633 -3.099 . . . . 67.75 102.633 170.165 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -153.98 163.92 39.28 Favored 'General case' 0 CA--C 1.5 -0.972 0 N-CA-C 113.608 0.966 . . . . 70.810000000000002 113.608 -176.477 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 85.2 p -123.55 167.51 13.82 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 103.204 -2.887 . . . . 66.469999999999999 103.204 172.154 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 58.4 t -131.07 120.05 46.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 107.423 -1.325 . . . . 68.5 107.423 177.283 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 11.9 m -119.94 159.83 20.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 O-C-N 124.212 0.945 . . . . 71.590000000000003 110.661 179.3 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 41.9 mt -108.88 127.51 54.11 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 122.768 0.427 . . . . 65.489999999999995 110.899 179.095 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.585 ' OD2' ' HE1' ' A' ' 16' ' ' MSE . 25.4 p30 -67.85 173.64 2.9 Favored Pre-proline 0 CA--C 1.546 0.81 0 N-CA-C 108.488 -0.931 . . . . 72.989999999999995 108.488 -179.302 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -50.58 -24.38 12.56 Favored 'Trans proline' 0 C--O 1.217 -0.57 0 N-CA-C 115.661 1.37 . . . . 67.030000000000001 115.661 -177.357 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -106.95 16.84 23.82 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 114.368 1.247 . . . . 72.489999999999995 114.368 179.106 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 88.53 2.31 79.56 Favored Glycine 0 C--O 1.22 -0.777 0 N-CA-C 118.256 2.062 . . . . 65.120000000000005 118.256 175.018 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -74.23 139.75 44.57 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 118.088 0.944 . . . . 71.200000000000003 112.681 -179.096 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 73.3 mtp85 -76.95 134.76 38.81 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 113.333 0.864 . . . . 83.760000000000005 113.333 -178.838 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 66.3 mt -134.21 123.27 43.16 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.65 0 N-CA-C 107.128 -1.434 . . . . 67.840000000000003 107.128 175.95 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -89.34 125.33 35.08 Favored 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 104.864 -2.273 . . . . 77.909999999999997 104.864 176.001 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 62.1 mt -100.89 105.04 17.08 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.411 0 N-CA-C 104.456 -2.424 . . . . 67.510000000000005 104.456 177.95 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' THR . . . . . 0.803 HG22 ' OXT' ' A' ' 126' ' ' TRP . 1.7 m -98.69 158.79 15.38 Favored 'General case' 0 CA--C 1.499 -0.989 0 CA-C-N 113.265 -1.788 . . . . 68.730000000000004 112.901 -173.946 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' TRP . . . . . 0.803 ' OXT' HG22 ' A' ' 125' ' ' THR . 0.4 OUTLIER . . . . . 0 CA--C 1.538 0.489 0 CA-C-N 116.044 -0.526 . . . . 69.480000000000004 109.731 171.541 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 200' ' ' UNL . . . . . 1.057 ' O3 ' ' O2 ' ' A' ' 200' ' ' UNL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_