reset;center {27.186 2.721 35.183}; rotate z 100.23; rotate y 64.55; rotate z -97.76; zoom 928.03; translate x 27.2; translate y -1.8; set rotationRadius 33.83; Display 193, 194, 195, 252:C.C, 252:C.O, 252:C.CA,252:C.CB, 252:C.N, 252:C.HA, 253 hide add 253:C.CG2, 253:C.2HG2, 253:C.1HG2, 253:C.3HG2, 195:G.HG select *; label off; set labelAlignment CENTER; set labeloffset 0 0 select 195:G.N; label Ser 195; set labeloffset 0 30; color label black; font label 20 select 193:G.CB; label Gly 195; set labeloffset -10 30; color label black; font label 20 select 193:G.N; label Gly 193; set labeloffset 1 50; color label black; font label 20 select 214:G.C; label Ser 214; set labeloffset 40 20; color label black; font label 20 select 253:C.OG1; label Thr 253; set labeloffset 0 30; color label black; font label 20 select 647:C.O; label H2O 647; set labeloffset 00 40; color label black; font label 20 select 252:C.HA; label Trp 252; set labeloffset -40 180; color label black; font label 20 select *; set labelfront on select 195:G.OG, 195:G.HG, 252:C.C, 252:C.O, 252:C.CA; label %a; color label white; font label 20; set labelfront off select 57:F.NE2, 253:C.N; label %a; color label pink; font label 20; set labelfront off select 647; halos frame TITLE " " measure off measure (252:C.O) (253:C.HG1); font measure 20 measure (252:C.O) (195:G.H); font measure 20 measure (252:C.O) (193:G.H); font measure 20 measure (252:C.O) (252:C.C); font measure 20 color background white select 195:G.H, 193:G.H, 252:C.O, 253:C.HG1 var use = {visible}; var sel = {selected}; var z = 0; for (var i IN @sel){z = 3} if (z = 3); use = sel; end if; for (var x IN @use){select @x; var txt = (x.temperature > 0 ? '+':'')+format('%1.2f',x.temperature ); label @txt; color label black; set labelOffset 0 0;} select @sel; font label 18 select off color background white