PyMOL generated image of ligand binding residues prediction for T1114s2
Click here to download PDB file of this model with the superposition of all identified ligands.
Predicted ligand binding residues are shown as blue sticks in the image above.
Binding site: 57, 58, 59, 60, 61, 118, 119, 157, 158, 159, 206, 207, 208; 245, 284, 288, 293, 299, 306, 307, 308, 309, 310; 246, 249, 251, 252, 255, 272, 273, 274, 279, 281, 282
Most likely ligands at each site (Type): SF4; F3S; SF4
Centroid ligands at each site (TypeID): SF4384; F3S386; BU3448
All ligands in clusters (Type-Frequency): F4S-4, FSX-1, S3F-1, SF4-18, SF3-1; F3S-16, SF4-8; SF4-24, BU3-1
Likely+centroid ligands at each site: SF4384; F3S386; SF4385
EC numbers: 1.12.2.1;1.12.99.6;1.12.98.1;1.12.7.2;1.12.5.1;1.18.99.1;
GO terms: 0008137;0008901;0009375;0016491;0042597;0046872;0047806;0048038;0051536;0051538;0051539;0055114;0016020;0033748;0005886;0016021;0016151;
JSmol view of ligand binding residues prediction for T1114s2
The server makes use of the FunFOLDQA Quality Assessment protocol for improved prediction selection:
Roche, D. B., Buenavista, M. T. & McGuffin, L. J. (2012) FunFOLDQA: A Quality Assessment Tool for Protein-Ligand Binding Site Residue Predictions. PLoS ONE, 7, e38219. PubMed
BDTalign = 0.7262849322134217
Identity = 0.5370186
Rescaled BLOSUM62 = 0.45008323
Equivalent Residue Ligand Distance = 0.4127953
Model Quality = 0.6935402
Predicted BDT score = 0.818843
Predicted MCC score = 0.7699983
r=ALA; n=57; a=N; | I=0.00000; O=0.19698; N=0.00000; P=0.00000; | F4S=0.00968; FSX=0.00360; S3F=0.00221; SF4=0.17911; SF3=0.00237;
r=ALA; n=57; a=CA; | I=0.00000; O=0.39971; N=0.00000; P=0.00000; | F4S=0.01954; FSX=0.00704; S3F=0.00477; SF4=0.36357; SF3=0.00479;
r=ALA; n=57; a=C; | I=0.00000; O=0.37955; N=0.00000; P=0.00000; | F4S=0.01874; FSX=0.00643; S3F=0.00476; SF4=0.34509; SF3=0.00453;
r=ALA; n=57; a=O; | I=0.00000; O=0.18495; N=0.00000; P=0.00000; | F4S=0.00959; FSX=0.00329; S3F=0.00224; SF4=0.16763; SF3=0.00221;
r=ALA; n=57; a=CB; | I=0.00000; O=0.32500; N=0.00000; P=0.00000; | F4S=0.01613; FSX=0.00613; S3F=0.00403; SF4=0.29459; SF3=0.00412;
r=ALA; n=57; a=H; | I=0.00000; O=0.11933; N=0.00000; P=0.00000; | F4S=0.00578; FSX=0.00223; S3F=0.00130; SF4=0.10859; SF3=0.00143;
r=ALA; n=57; a=HA; | I=0.00000; O=0.58453; N=0.00000; P=0.00000; | F4S=0.02772; FSX=0.00963; S3F=0.00688; SF4=0.53361; SF3=0.00670;
r=ALA; n=57; a=HB1; | I=0.00000; O=0.26701; N=0.00000; P=0.00000; | F4S=0.01322; FSX=0.00528; S3F=0.00324; SF4=0.24186; SF3=0.00340;
r=ALA; n=57; a=HB2; | I=0.00000; O=0.46426; N=0.00000; P=0.00000; | F4S=0.02228; FSX=0.00812; S3F=0.00572; SF4=0.42256; SF3=0.00556;
r=ALA; n=57; a=HB3; | I=0.00000; O=0.19476; N=0.00000; P=0.00000; | F4S=0.00995; FSX=0.00411; S3F=0.00250; SF4=0.17559; SF3=0.00261;
r=CYS; n=58; a=N; | I=0.00000; O=0.58038; N=0.00000; P=0.00000; | F4S=0.02640; FSX=0.00922; S3F=0.00741; SF4=0.53095; SF3=0.00639;
r=CYS; n=58; a=CA; | I=0.00000; O=0.43642; N=0.00000; P=0.00000; | F4S=0.02009; FSX=0.00672; S3F=0.00599; SF4=0.39884; SF3=0.00478;
r=CYS; n=58; a=C; | I=0.00000; O=0.34388; N=0.00000; P=0.00000; | F4S=0.01579; FSX=0.00564; S3F=0.00507; SF4=0.31349; SF3=0.00389;
r=CYS; n=58; a=O; | I=0.00000; O=0.23584; N=0.00000; P=0.00000; | F4S=0.01081; FSX=0.00419; S3F=0.00384; SF4=0.21443; SF3=0.00257;
r=CYS; n=58; a=CB; | I=0.00000; O=0.52561; N=0.00000; P=0.00000; | F4S=0.02260; FSX=0.00762; S3F=0.00681; SF4=0.48332; SF3=0.00527;
r=CYS; n=58; a=SG; | I=0.00000; O=0.82514; N=0.00000; P=0.00000; | F4S=0.03481; FSX=0.01200; S3F=0.00996; SF4=0.76011; SF3=0.00825;
r=CYS; n=58; a=H; | I=0.00000; O=0.78006; N=0.00000; P=0.00000; | F4S=0.03385; FSX=0.01218; S3F=0.00946; SF4=0.71641; SF3=0.00815;
r=CYS; n=58; a=HA; | I=0.00000; O=0.25621; N=0.00000; P=0.00000; | F4S=0.01300; FSX=0.00431; S3F=0.00367; SF4=0.23228; SF3=0.00296;
r=CYS; n=58; a=HB2; | I=0.00000; O=0.47658; N=0.00000; P=0.00000; | F4S=0.02136; FSX=0.00690; S3F=0.00636; SF4=0.43696; SF3=0.00500;
r=CYS; n=58; a=HB3; | I=0.00000; O=0.33247; N=0.00000; P=0.00000; | F4S=0.01433; FSX=0.00502; S3F=0.00474; SF4=0.30512; SF3=0.00327;
r=CYS; n=58; a=HG; | I=0.00000; O=0.71487; N=0.00000; P=0.00000; | F4S=0.02984; FSX=0.00989; S3F=0.00864; SF4=0.65961; SF3=0.00689;
r=SER; n=59; a=N; | I=0.00000; O=0.35867; N=0.00000; P=0.00000; | F4S=0.01662; FSX=0.00614; S3F=0.00515; SF4=0.32647; SF3=0.00429;
r=SER; n=59; a=CA; | I=0.00000; O=0.22686; N=0.00000; P=0.00000; | F4S=0.01104; FSX=0.00431; S3F=0.00362; SF4=0.20479; SF3=0.00311;
r=SER; n=59; a=C; | I=0.00000; O=0.27366; N=0.00000; P=0.00000; | F4S=0.01195; FSX=0.00490; S3F=0.00410; SF4=0.24951; SF3=0.00320;
r=SER; n=59; a=O; | I=0.00000; O=0.16110; N=0.00000; P=0.00000; | F4S=0.00726; FSX=0.00324; S3F=0.00307; SF4=0.14510; SF3=0.00244;
r=SER; n=59; a=CB; | I=0.00000; O=0.08348; N=0.00000; P=0.00000; | F4S=0.00502; FSX=0.00228; S3F=0.00171; SF4=0.07296; SF3=0.00151;
r=SER; n=59; a=OG; | I=0.00000; O=0.04529; N=0.00000; P=0.00000; | F4S=0.00291; FSX=0.00133; S3F=0.00086; SF4=0.03938; SF3=0.00080;
r=SER; n=59; a=H; | I=0.00000; O=0.39528; N=0.00000; P=0.00000; | F4S=0.01872; FSX=0.00685; S3F=0.00541; SF4=0.35952; SF3=0.00477;
r=SER; n=59; a=HA; | I=0.00000; O=0.22631; N=0.00000; P=0.00000; | F4S=0.01125; FSX=0.00440; S3F=0.00351; SF4=0.20392; SF3=0.00323;
r=SER; n=59; a=HB2; | I=0.00000; O=0.05732; N=0.00000; P=0.00000; | F4S=0.00318; FSX=0.00151; S3F=0.00114; SF4=0.05060; SF3=0.00090;
r=SER; n=59; a=HB3; | I=0.00000; O=0.03643; N=0.00000; P=0.00000; | F4S=0.00223; FSX=0.00104; S3F=0.00090; SF4=0.03143; SF3=0.00083;
r=SER; n=59; a=HG; | I=0.00000; O=0.06085; N=0.00000; P=0.00000; | F4S=0.00420; FSX=0.00187; S3F=0.00123; SF4=0.05234; SF3=0.00121;
r=GLY; n=60; a=N; | I=0.00000; O=0.47953; N=0.00000; P=0.00000; | F4S=0.01910; FSX=0.00769; S3F=0.00616; SF4=0.44197; SF3=0.00461;
r=GLY; n=60; a=CA; | I=0.00000; O=0.41649; N=0.00000; P=0.00000; | F4S=0.01551; FSX=0.00662; S3F=0.00533; SF4=0.38531; SF3=0.00372;
r=GLY; n=60; a=C; | I=0.00000; O=0.35362; N=0.00000; P=0.00000; | F4S=0.01286; FSX=0.00564; S3F=0.00433; SF4=0.32769; SF3=0.00310;
r=GLY; n=60; a=O; | I=0.00000; O=0.18974; N=0.00000; P=0.00000; | F4S=0.00555; FSX=0.00287; S3F=0.00239; SF4=0.17729; SF3=0.00163;
r=GLY; n=60; a=H; | I=0.00000; O=0.63222; N=0.00000; P=0.00000; | F4S=0.02544; FSX=0.00972; S3F=0.00770; SF4=0.58335; SF3=0.00601;
r=GLY; n=60; a=HA2; | I=0.00000; O=0.55015; N=0.00000; P=0.00000; | F4S=0.02060; FSX=0.00824; S3F=0.00658; SF4=0.50998; SF3=0.00475;
r=GLY; n=60; a=HA3; | I=0.00000; O=0.22560; N=0.00000; P=0.00000; | F4S=0.00742; FSX=0.00362; S3F=0.00331; SF4=0.20929; SF3=0.00196;
r=ASN; n=61; a=N; | I=0.00000; O=0.47124; N=0.00000; P=0.00000; | F4S=0.01807; FSX=0.00742; S3F=0.00531; SF4=0.43623; SF3=0.00422;
r=ASN; n=61; a=CA; | I=0.00000; O=0.28620; N=0.00000; P=0.00000; | F4S=0.01073; FSX=0.00457; S3F=0.00303; SF4=0.26523; SF3=0.00263;
r=ASN; n=61; a=C; | I=0.00000; O=0.12266; N=0.00000; P=0.00000; | F4S=0.00533; FSX=0.00236; S3F=0.00211; SF4=0.11090; SF3=0.00196;
r=ASN; n=61; a=O; | I=0.00000; O=0.06149; N=0.00000; P=0.00000; | F4S=0.00264; FSX=0.00125; S3F=0.00178; SF4=0.05419; SF3=0.00163;
r=ASN; n=61; a=CB; | I=0.00000; O=0.35164; N=0.00000; P=0.00000; | F4S=0.01384; FSX=0.00551; S3F=0.00360; SF4=0.32539; SF3=0.00330;
r=ASN; n=61; a=CG; | I=0.00000; O=0.61055; N=0.00000; P=0.00000; | F4S=0.02339; FSX=0.00907; S3F=0.00627; SF4=0.56617; SF3=0.00567;
r=ASN; n=61; a=ND2; | I=0.00000; O=0.81441; N=0.00000; P=0.00000; | F4S=0.03279; FSX=0.01241; S3F=0.00888; SF4=0.75230; SF3=0.00802;
r=ASN; n=61; a=OD1; | I=0.00000; O=0.52559; N=0.00000; P=0.00000; | F4S=0.01916; FSX=0.00746; S3F=0.00513; SF4=0.48923; SF3=0.00461;
r=ASN; n=61; a=H; | I=0.00000; O=0.61193; N=0.00000; P=0.00000; | F4S=0.02416; FSX=0.00956; S3F=0.00690; SF4=0.56568; SF3=0.00563;
r=ASN; n=61; a=HA; | I=0.00000; O=0.24150; N=0.00000; P=0.00000; | F4S=0.00818; FSX=0.00367; S3F=0.00248; SF4=0.22504; SF3=0.00212;
r=ASN; n=61; a=HB2; | I=0.00000; O=0.32520; N=0.00000; P=0.00000; | F4S=0.01384; FSX=0.00540; S3F=0.00356; SF4=0.29904; SF3=0.00336;
r=ASN; n=61; a=HB3; | I=0.00000; O=0.20702; N=0.00000; P=0.00000; | F4S=0.00845; FSX=0.00342; S3F=0.00232; SF4=0.19066; SF3=0.00218;
r=ASN; n=61; a=HD21; | I=0.00000; O=0.88266; N=0.00000; P=0.00000; | F4S=0.03648; FSX=0.01338; S3F=0.00995; SF4=0.81380; SF3=0.00904;
r=ASN; n=61; a=HD22; | I=0.00000; O=0.78454; N=0.00000; P=0.00000; | F4S=0.03174; FSX=0.01212; S3F=0.00846; SF4=0.72453; SF3=0.00770;
r=GLU; n=118; a=N; | I=0.00000; O=0.04537; N=0.00000; P=0.00000; | F4S=0.00214; FSX=0.00161; S3F=0.00060; SF4=0.04030; SF3=0.00071;
r=GLU; n=118; a=CA; | I=0.00000; O=0.14911; N=0.00000; P=0.00000; | F4S=0.00678; FSX=0.00364; S3F=0.00180; SF4=0.13487; SF3=0.00203;
r=GLU; n=118; a=C; | I=0.00000; O=0.19762; N=0.00000; P=0.00000; | F4S=0.00913; FSX=0.00430; S3F=0.00225; SF4=0.17946; SF3=0.00248;
r=GLU; n=118; a=O; | I=0.00000; O=0.13104; N=0.00000; P=0.00000; | F4S=0.00582; FSX=0.00316; S3F=0.00148; SF4=0.11892; SF3=0.00166;
r=GLU; n=118; a=CB; | I=0.00000; O=0.16511; N=0.00000; P=0.00000; | F4S=0.00811; FSX=0.00385; S3F=0.00237; SF4=0.14821; SF3=0.00257;
r=GLU; n=118; a=CG; | I=0.00000; O=0.34812; N=0.00000; P=0.00000; | F4S=0.01665; FSX=0.00631; S3F=0.00420; SF4=0.31680; SF3=0.00417;
r=GLU; n=118; a=CD; | I=0.00000; O=0.30667; N=0.00000; P=0.00000; | F4S=0.01456; FSX=0.00569; S3F=0.00383; SF4=0.27889; SF3=0.00370;
r=GLU; n=118; a=OE1; | I=0.00000; O=0.48179; N=0.00000; P=0.00000; | F4S=0.02079; FSX=0.00798; S3F=0.00543; SF4=0.44262; SF3=0.00496;
r=GLU; n=118; a=OE2; | I=0.00000; O=0.15633; N=0.00000; P=0.00000; | F4S=0.00855; FSX=0.00369; S3F=0.00288; SF4=0.13832; SF3=0.00289;
r=GLU; n=118; a=H; | I=0.00000; O=0.02868; N=0.00000; P=0.00000; | F4S=0.00099; FSX=0.00101; S3F=0.00037; SF4=0.02586; SF3=0.00045;
r=GLU; n=118; a=HA; | I=0.00000; O=0.15156; N=0.00000; P=0.00000; | F4S=0.00667; FSX=0.00332; S3F=0.00166; SF4=0.13808; SF3=0.00183;
r=GLU; n=118; a=HB2; | I=0.00000; O=0.10592; N=0.00000; P=0.00000; | F4S=0.00540; FSX=0.00282; S3F=0.00172; SF4=0.09405; SF3=0.00194;
r=GLU; n=118; a=HB3; | I=0.00000; O=0.09373; N=0.00000; P=0.00000; | F4S=0.00465; FSX=0.00244; S3F=0.00153; SF4=0.08342; SF3=0.00170;
r=GLU; n=118; a=HG2; | I=0.00000; O=0.46158; N=0.00000; P=0.00000; | F4S=0.02089; FSX=0.00766; S3F=0.00519; SF4=0.42275; SF3=0.00509;
r=GLU; n=118; a=HG3; | I=0.00000; O=0.42905; N=0.00000; P=0.00000; | F4S=0.02036; FSX=0.00748; S3F=0.00507; SF4=0.39112; SF3=0.00503;
r=GLY; n=119; a=N; | I=0.00000; O=0.30068; N=0.00000; P=0.00000; | F4S=0.01382; FSX=0.00541; S3F=0.00323; SF4=0.27477; SF3=0.00345;
r=GLY; n=119; a=CA; | I=0.00000; O=0.30569; N=0.00000; P=0.00000; | F4S=0.01397; FSX=0.00542; S3F=0.00325; SF4=0.27958; SF3=0.00347;
r=GLY; n=119; a=C; | I=0.00000; O=0.13641; N=0.00000; P=0.00000; | F4S=0.00560; FSX=0.00281; S3F=0.00133; SF4=0.12518; SF3=0.00150;
r=GLY; n=119; a=O; | I=0.00000; O=0.08620; N=0.00000; P=0.00000; | F4S=0.00331; FSX=0.00228; S3F=0.00075; SF4=0.07896; SF3=0.00090;
r=GLY; n=119; a=H; | I=0.00000; O=0.35790; N=0.00000; P=0.00000; | F4S=0.01613; FSX=0.00609; S3F=0.00376; SF4=0.32794; SF3=0.00398;
r=GLY; n=119; a=HA2; | I=0.00000; O=0.50401; N=0.00000; P=0.00000; | F4S=0.02361; FSX=0.00821; S3F=0.00551; SF4=0.46097; SF3=0.00571;
r=GLY; n=119; a=HA3; | I=0.00000; O=0.24009; N=0.00000; P=0.00000; | F4S=0.01116; FSX=0.00456; S3F=0.00261; SF4=0.21895; SF3=0.00281;
r=GLY; n=157; a=N; | I=0.00000; O=0.18049; N=0.00000; P=0.00000; | F4S=0.00723; FSX=0.00262; S3F=0.00154; SF4=0.16752; SF3=0.00159;
r=GLY; n=157; a=CA; | I=0.00000; O=0.32144; N=0.00000; P=0.00000; | F4S=0.01328; FSX=0.00466; S3F=0.00297; SF4=0.29757; SF3=0.00297;
r=GLY; n=157; a=C; | I=0.00000; O=0.24532; N=0.00000; P=0.00000; | F4S=0.01038; FSX=0.00348; S3F=0.00238; SF4=0.22665; SF3=0.00244;
r=GLY; n=157; a=O; | I=0.00000; O=0.18765; N=0.00000; P=0.00000; | F4S=0.00759; FSX=0.00272; S3F=0.00184; SF4=0.17354; SF3=0.00195;
r=GLY; n=157; a=H; | I=0.00000; O=0.08707; N=0.00000; P=0.00000; | F4S=0.00327; FSX=0.00116; S3F=0.00068; SF4=0.08125; SF3=0.00071;
r=GLY; n=157; a=HA2; | I=0.00000; O=0.54072; N=0.00000; P=0.00000; | F4S=0.02224; FSX=0.00806; S3F=0.00546; SF4=0.49959; SF3=0.00536;
r=GLY; n=157; a=HA3; | I=0.00000; O=0.28233; N=0.00000; P=0.00000; | F4S=0.01125; FSX=0.00379; S3F=0.00248; SF4=0.26238; SF3=0.00243;
r=ASP; n=158; a=N; | I=0.00000; O=0.26075; N=0.00000; P=0.00000; | F4S=0.01142; FSX=0.00351; S3F=0.00274; SF4=0.24029; SF3=0.00280;
r=ASP; n=158; a=CA; | I=0.00000; O=0.16360; N=0.00000; P=0.00000; | F4S=0.00735; FSX=0.00216; S3F=0.00197; SF4=0.15002; SF3=0.00210;
r=ASP; n=158; a=C; | I=0.00000; O=0.18953; N=0.00000; P=0.00000; | F4S=0.00871; FSX=0.00274; S3F=0.00236; SF4=0.17318; SF3=0.00254;
r=ASP; n=158; a=H; | I=0.00000; O=0.33555; N=0.00000; P=0.00000; | F4S=0.01422; FSX=0.00442; S3F=0.00337; SF4=0.31021; SF3=0.00334;
r=ASP; n=158; a=HB2; | I=0.00000; O=0.25250; N=0.00000; P=0.00000; | F4S=0.01182; FSX=0.00330; S3F=0.00316; SF4=0.23102; SF3=0.00320;
r=ASP; n=158; a=CB; | I=0.00000; O=0.17194; N=0.00000; P=0.00000; | F4S=0.00838; FSX=0.00220; S3F=0.00236; SF4=0.15651; SF3=0.00248;
r=ASP; n=158; a=OD2; | I=0.00000; O=0.05673; N=0.00000; P=0.00000; | F4S=0.00346; FSX=0.00075; S3F=0.00109; SF4=0.05022; SF3=0.00121;
r=ASP; n=158; a=HB3; | I=0.00000; O=0.11733; N=0.00000; P=0.00000; | F3S=0.00051; F4S=0.00529; FSX=0.00139; S3F=0.00152; SF4=0.10702; SF3=0.00160;
r=ASP; n=158; a=O; | I=0.00000; O=0.08492; N=0.00000; P=0.00000; | F4S=0.00345; FSX=0.00124; S3F=0.00105; SF4=0.07802; SF3=0.00117;
r=ASP; n=158; a=CG; | I=0.00000; O=0.07676; N=0.00000; P=0.00000; | F4S=0.00410; FSX=0.00095; S3F=0.00131; SF4=0.06896; SF3=0.00144;
r=ASP; n=158; a=OD1; | I=0.00000; O=0.04139; N=0.00000; P=0.00000; | F4S=0.00235; FSX=0.00041; S3F=0.00078; SF4=0.03699; SF3=0.00087;
r=ASP; n=158; a=HA; | I=0.00000; O=0.10408; N=0.00000; P=0.00000; | F4S=0.00412; FSX=0.00127; S3F=0.00121; SF4=0.09615; SF3=0.00133;
r=CYS; n=159; a=N; | I=0.00000; O=0.31402; N=0.00000; P=0.00000; | F4S=0.01480; FSX=0.00460; S3F=0.00370; SF4=0.28705; SF3=0.00387;
r=CYS; n=159; a=CA; | I=0.00000; O=0.24944; N=0.00000; P=0.00000; | F4S=0.01176; FSX=0.00391; S3F=0.00299; SF4=0.22756; SF3=0.00321;
r=CYS; n=159; a=C; | I=0.00000; O=0.13499; N=0.00000; P=0.00000; | F4S=0.00556; FSX=0.00249; S3F=0.00143; SF4=0.12391; SF3=0.00160;
r=CYS; n=159; a=O; | I=0.00000; O=0.06446; N=0.00000; P=0.00000; | F4S=0.00247; FSX=0.00146; S3F=0.00067; SF4=0.05909; SF3=0.00077;
r=CYS; n=159; a=CB; | I=0.00000; O=0.46476; N=0.00000; P=0.00000; | F4S=0.02183; FSX=0.00676; S3F=0.00532; SF4=0.42531; SF3=0.00553;
r=CYS; n=159; a=SG; | I=0.00000; O=0.63826; N=0.00000; P=0.00000; | F4S=0.02879; FSX=0.00875; S3F=0.00720; SF4=0.58639; SF3=0.00713;
r=CYS; n=159; a=H; | I=0.00000; O=0.50673; N=0.00000; P=0.00000; | F4S=0.02263; FSX=0.00712; S3F=0.00544; SF4=0.46602; SF3=0.00550;
r=CYS; n=159; a=HA; | I=0.00000; O=0.15631; N=0.00000; P=0.00000; | F4S=0.00742; FSX=0.00255; S3F=0.00199; SF4=0.14215; SF3=0.00221;
r=CYS; n=159; a=HB2; | I=0.00000; O=0.30697; N=0.00000; P=0.00000; | F4S=0.01451; FSX=0.00481; S3F=0.00357; SF4=0.28026; SF3=0.00383;
r=CYS; n=159; a=HB3; | I=0.00000; O=0.59117; N=0.00000; P=0.00000; | F4S=0.02730; FSX=0.00870; S3F=0.00647; SF4=0.54207; SF3=0.00663;
r=CYS; n=159; a=HG; | I=0.00000; O=0.67760; N=0.00000; P=0.00000; | F4S=0.03114; FSX=0.00961; S3F=0.00784; SF4=0.62136; SF3=0.00766;
r=GLY; n=206; a=C; | I=0.00000; O=0.16319; N=0.00000; P=0.00000; | F3S=0.00493; F4S=0.00500; FSX=0.00168; S3F=0.00126; SF4=0.14911; SF3=0.00120;
r=GLY; n=206; a=O; | I=0.00000; O=0.31524; N=0.00000; P=0.00000; | F3S=0.00092; F4S=0.01196; FSX=0.00395; S3F=0.00285; SF4=0.29288; SF3=0.00268;
r=GLY; n=206; a=N; | I=0.00000; O=0.05787; N=0.00000; P=0.00000; | F3S=0.00213; F4S=0.00158; FSX=0.00052; S3F=0.00041; SF4=0.05280; SF3=0.00043;
r=GLY; n=206; a=CA; | I=0.00000; O=0.09498; N=0.00000; P=0.00000; | F3S=0.00923; F4S=0.00149; FSX=0.00051; S3F=0.00037; SF4=0.08300; SF3=0.00038;
r=GLY; n=206; a=H; | I=0.00000; O=0.08359; N=0.00000; P=0.00000; | F3S=0.00083; F4S=0.00294; FSX=0.00088; S3F=0.00079; SF4=0.07731; SF3=0.00084;
r=GLY; n=206; a=HA2; | I=0.00000; O=0.08596; N=0.00000; P=0.00000; | F3S=0.00979; F4S=0.00090; FSX=0.00033; S3F=0.00020; SF4=0.07454; SF3=0.00020;
r=GLY; n=206; a=HA3; | I=0.00000; O=0.13039; N=0.00000; P=0.00000; | F3S=0.02178; F4S=0.00042; FSX=0.00016; S3F=0.00013; SF4=0.10777; SF3=0.00013;
r=CYS; n=207; a=CA; | I=0.00000; O=0.26140; N=0.00000; P=0.00000; | F3S=0.00668; F4S=0.00806; FSX=0.00292; S3F=0.00230; SF4=0.23957; SF3=0.00186;
r=CYS; n=207; a=C; | I=0.00000; O=0.19663; N=0.00000; P=0.00000; | F3S=0.01135; F4S=0.00399; FSX=0.00189; S3F=0.00134; SF4=0.17717; SF3=0.00089;
r=CYS; n=207; a=CB; | I=0.00000; O=0.25716; N=0.00000; P=0.00000; | F3S=0.00593; F4S=0.00880; FSX=0.00294; S3F=0.00262; SF4=0.23465; SF3=0.00222;
r=CYS; n=207; a=SG; | I=0.00000; O=0.47980; N=0.00000; P=0.00000; | F3S=0.00075; F4S=0.01852; FSX=0.00601; S3F=0.00566; SF4=0.44436; SF3=0.00450;
r=CYS; n=207; a=HA; | I=0.00000; O=0.48684; N=0.00000; P=0.00000; | F3S=0.00185; F4S=0.01813; FSX=0.00611; S3F=0.00511; SF4=0.45154; SF3=0.00410;
r=CYS; n=207; a=HB3; | I=0.00000; O=0.24222; N=0.00000; P=0.00000; | F3S=0.00355; F4S=0.00913; FSX=0.00286; S3F=0.00256; SF4=0.22178; SF3=0.00235;
r=CYS; n=207; a=HG; | I=0.00000; O=0.78589; N=0.00000; P=0.00000; | F3S=0.00002; F4S=0.03184; FSX=0.01031; S3F=0.00884; SF4=0.72747; SF3=0.00741;
r=CYS; n=207; a=N; | I=0.00000; O=0.17127; N=0.00000; P=0.00000; | F3S=0.01262; F4S=0.00371; FSX=0.00138; S3F=0.00100; SF4=0.15166; SF3=0.00090;
r=CYS; n=207; a=O; | I=0.00000; O=0.14434; N=0.00000; P=0.00000; | F3S=0.01795; F4S=0.00150; FSX=0.00088; S3F=0.00062; SF4=0.12302; SF3=0.00036;
r=CYS; n=207; a=HB2; | I=0.00000; O=0.14696; N=0.00000; P=0.00000; | F3S=0.01431; F4S=0.00352; FSX=0.00114; S3F=0.00110; SF4=0.12593; SF3=0.00095;
r=CYS; n=207; a=H; | I=0.00000; O=0.22217; N=0.00000; P=0.00000; | F3S=0.03557; F4S=0.00142; FSX=0.00058; S3F=0.00039; SF4=0.18387; SF3=0.00035;
r=PRO; n=208; a=N; | I=0.00000; O=0.18369; N=0.00000; P=0.00000; | F3S=0.00706; F4S=0.00358; FSX=0.00194; S3F=0.00121; SF4=0.16920; SF3=0.00070;
r=PRO; n=208; a=CA; | I=0.00000; O=0.26045; N=0.00000; P=0.00000; | F3S=0.00256; F4S=0.00696; FSX=0.00319; S3F=0.00200; SF4=0.24434; SF3=0.00139;
r=PRO; n=208; a=CB; | I=0.00000; O=0.21545; N=0.00000; P=0.00000; | F3S=0.00061; F4S=0.00547; FSX=0.00282; S3F=0.00183; SF4=0.20358; SF3=0.00114;
r=PRO; n=208; a=HA; | I=0.00000; O=0.41972; N=0.00000; P=0.00000; | F3S=0.00093; F4S=0.01452; FSX=0.00545; S3F=0.00424; SF4=0.39131; SF3=0.00327;
r=PRO; n=208; a=HB2; | I=0.00000; O=0.17425; N=0.00000; P=0.00000; | F3S=0.00030; F4S=0.00446; FSX=0.00232; S3F=0.00142; SF4=0.16475; SF3=0.00101;
r=PRO; n=208; a=HB3; | I=0.00000; O=0.37206; N=0.00000; P=0.00000; | F4S=0.01154; FSX=0.00511; S3F=0.00394; SF4=0.34890; SF3=0.00257;
r=PRO; n=208; a=CD; | I=0.00000; O=0.11519; N=0.00000; P=0.00000; | F3S=0.00711; F4S=0.00115; FSX=0.00106; S3F=0.00059; SF4=0.10508; SF3=0.00021;
r=PRO; n=208; a=HD2; | I=0.00000; O=0.12956; N=0.00000; P=0.00000; | F3S=0.00312; F4S=0.00169; FSX=0.00152; S3F=0.00104; SF4=0.12187; SF3=0.00033;
r=PRO; n=208; a=C; | I=0.00000; O=0.13506; N=0.00000; P=0.00000; | F3S=0.00595; F4S=0.00263; FSX=0.00131; S3F=0.00061; SF4=0.12408; SF3=0.00048;
r=PRO; n=208; a=O; | I=0.00000; O=0.13140; N=0.00000; P=0.00000; | F3S=0.01931; F4S=0.00056; FSX=0.00033; S3F=0.00013; SF4=0.11097; SF3=0.00010;
r=PRO; n=208; a=CG; | I=0.00000; O=0.11075; N=0.00000; P=0.00000; | F3S=0.00289; F4S=0.00138; FSX=0.00125; S3F=0.00062; SF4=0.10434; SF3=0.00027;
r=PRO; n=208; a=HG2; | I=0.00000; O=0.09238; N=0.00000; P=0.00000; | F3S=0.00097; F4S=0.00097; FSX=0.00109; S3F=0.00061; SF4=0.08854; SF3=0.00020;
r=PRO; n=208; a=HG3; | I=0.00000; O=0.06996; N=0.00000; P=0.00000; | F3S=0.00632; F4S=0.00043; FSX=0.00049; S3F=0.00016; SF4=0.06250; SF3=0.00006;
r=PRO; n=208; a=HD3; | I=0.00000; O=0.11974; N=0.00000; P=0.00000; | F3S=0.01935; F4S=0.00027; FSX=0.00038; S3F=0.00017; SF4=0.09954; SF3=0.00003;
r=THR; n=245; a=HB; | I=0.00000; O=0.19659; N=0.00000; P=0.00000; | F3S=0.01991; SF4=0.17668;
r=THR; n=245; a=HG22; | I=0.00000; O=0.27713; N=0.00000; P=0.00000; | F3S=0.03291; SF4=0.24422;
r=THR; n=245; a=N; | I=0.00000; O=0.06128; N=0.00000; P=0.00000; | F3S=0.00445; SF4=0.05684;
r=THR; n=245; a=CA; | I=0.00000; O=0.12274; N=0.00000; P=0.00000; | F3S=0.01106; SF4=0.11167;
r=THR; n=245; a=C; | I=0.00000; O=0.12324; N=0.00000; P=0.00000; | F3S=0.00412; SF4=0.11912;
r=THR; n=245; a=O; | I=0.00000; O=0.11143; N=0.00000; P=0.00000; | F3S=0.00420; SF4=0.10723;
r=THR; n=245; a=CB; | I=0.00000; O=0.22730; N=0.00000; P=0.00000; | F3S=0.02972; SF4=0.19757;
r=THR; n=245; a=CG2; | I=0.00000; O=0.37066; N=0.00000; P=0.00000; | F3S=0.05485; SF4=0.31581;
r=THR; n=245; a=OG1; | I=0.00000; O=0.35994; N=0.00000; P=0.00000; | F3S=0.05535; SF4=0.30458;
r=THR; n=245; a=H; | I=0.00000; O=0.06923; N=0.00000; P=0.00000; | F3S=0.00600; SF4=0.06323;
r=THR; n=245; a=HA; | I=0.00000; O=0.13877; N=0.00000; P=0.00000; | F3S=0.01413; SF4=0.12464;
r=THR; n=245; a=HG1; | I=0.00000; O=0.21066; N=0.00000; P=0.00000; | F3S=0.02917; SF4=0.18149;
r=THR; n=245; a=HG21; | I=0.00000; O=0.38520; N=0.00000; P=0.00000; | F3S=0.05732; SF4=0.32788;
r=THR; n=245; a=HG23; | I=0.00000; O=0.54707; N=0.00000; P=0.00000; | F3S=0.08713; SF4=0.45994;
r=THR; n=284; a=O; | I=0.00000; O=0.07079; N=0.00000; P=0.00000; | F3S=0.00775; SF4=0.06304;
r=THR; n=284; a=CB; | I=0.00000; O=0.15798; N=0.00000; P=0.00000; | F3S=0.02474; SF4=0.13324;
r=THR; n=284; a=OG1; | I=0.00000; O=0.11686; N=0.00000; P=0.00000; | F3S=0.01927; SF4=0.09759;
r=THR; n=284; a=H; | I=0.00000; O=0.03624; N=0.00000; P=0.00000; | F3S=0.00082; SF4=0.03542;
r=THR; n=284; a=HB; | I=0.00000; O=0.16456; N=0.00000; P=0.00000; | F3S=0.02467; SF4=0.13989;
r=THR; n=284; a=CG2; | I=0.00000; O=0.26636; N=0.00000; P=0.00000; | F3S=0.04447; SF4=0.22189;
r=THR; n=284; a=HG21; | I=0.00000; O=0.18371; N=0.00000; P=0.00000; | F3S=0.03046; SF4=0.15325;
r=THR; n=284; a=HG22; | I=0.00000; O=0.46595; N=0.00000; P=0.00000; | F3S=0.08227; SF4=0.38368;
r=THR; n=284; a=HG23; | I=0.00000; O=0.26323; N=0.00000; P=0.00000; | F3S=0.04175; SF4=0.22148;
r=THR; n=284; a=N; | I=0.00000; O=0.03432; N=0.00000; P=0.00000; | F3S=0.00179; SF4=0.03253;
r=THR; n=284; a=CA; | I=0.00000; O=0.09129; N=0.00000; P=0.00000; | F3S=0.01130; SF4=0.07999;
r=THR; n=284; a=C; | I=0.00000; O=0.06356; N=0.00000; P=0.00000; | F3S=0.00674; SF4=0.05681;
r=THR; n=284; a=HA; | I=0.00000; O=0.06077; N=0.00000; P=0.00000; | F3S=0.00724; SF4=0.05353;
r=THR; n=284; a=HG1; | I=0.00000; O=0.07264; N=0.00000; P=0.00000; | F3S=0.00951; SF4=0.06313;
r=CYS; n=288; a=HB3; | I=0.00000; O=0.57647; N=0.00000; P=0.00000; | F3S=0.08508; SF4=0.49138;
r=CYS; n=288; a=N; | I=0.00000; O=0.16030; N=0.00000; P=0.00000; | F3S=0.01667; SF4=0.14363;
r=CYS; n=288; a=CA; | I=0.00000; O=0.25701; N=0.00000; P=0.00000; | F3S=0.03132; SF4=0.22569;
r=CYS; n=288; a=C; | I=0.00000; O=0.17198; N=0.00000; P=0.00000; | F3S=0.01905; SF4=0.15292;
r=CYS; n=288; a=O; | I=0.00000; O=0.16133; N=0.00000; P=0.00000; | F3S=0.01825; SF4=0.14308;
r=CYS; n=288; a=CB; | I=0.00000; O=0.57929; N=0.00000; P=0.00000; | F3S=0.08400; SF4=0.49529;
r=CYS; n=288; a=SG; | I=0.00000; O=0.70789; N=0.00000; P=0.00000; | F3S=0.10941; SF4=0.59847;
r=CYS; n=288; a=H; | I=0.00000; O=0.23015; N=0.00000; P=0.00000; | F3S=0.02631; SF4=0.20384;
r=CYS; n=288; a=HA; | I=0.00000; O=0.22613; N=0.00000; P=0.00000; | F3S=0.02646; SF4=0.19968;
r=CYS; n=288; a=HB2; | I=0.00000; O=0.63401; N=0.00000; P=0.00000; | F3S=0.09395; SF4=0.54006;
r=CYS; n=288; a=HG; | I=0.00000; O=0.55426; N=0.00000; P=0.00000; | F3S=0.08193; SF4=0.47233;
r=TRP; n=293; a=CD2; | I=0.00000; O=0.15598; N=0.00000; P=0.00000; | F3S=0.02279; SF4=0.13319;
r=TRP; n=293; a=CE2; | I=0.00000; O=0.17054; N=0.00000; P=0.00000; | F3S=0.02697; SF4=0.14356;
r=TRP; n=293; a=CE3; | I=0.00000; O=0.20256; N=0.00000; P=0.00000; | F3S=0.02828; SF4=0.17429;
r=TRP; n=293; a=CZ2; | I=0.00000; O=0.28014; N=0.00000; P=0.00000; | F3S=0.04440; SF4=0.23574;
r=TRP; n=293; a=CZ3; | I=0.00000; O=0.41811; N=0.00000; P=0.00000; | F3S=0.06127; SF4=0.35684;
r=TRP; n=293; a=CH2; | I=0.00000; O=0.48570; N=0.00000; P=0.00000; | F3S=0.07416; SF4=0.41154;
r=TRP; n=293; a=HE3; | I=0.00000; O=0.18351; N=0.00000; P=0.00000; | F3S=0.02365; SF4=0.15986;
r=TRP; n=293; a=HZ2; | I=0.00000; O=0.25450; N=0.00000; P=0.00000; | F3S=0.04188; SF4=0.21262;
r=TRP; n=293; a=HZ3; | I=0.00000; O=0.50248; N=0.00000; P=0.00000; | F3S=0.07347; SF4=0.42901;
r=TRP; n=293; a=HH2; | I=0.00000; O=0.65170; N=0.00000; P=0.00000; | F3S=0.10264; SF4=0.54906;
r=TRP; n=293; a=CB; | I=0.00000; O=0.02429; N=0.00000; P=0.00000; | F3S=0.00367; SF4=0.02063;
r=TRP; n=293; a=CG; | I=0.00000; O=0.05233; N=0.00000; P=0.00000; | F3S=0.00751; SF4=0.04482;
r=TRP; n=293; a=CD1; | I=0.00000; O=0.07162; N=0.00000; P=0.00000; | F3S=0.01182; SF4=0.05981;
r=TRP; n=293; a=NE1; | I=0.00000; O=0.07887; N=0.00000; P=0.00000; | F3S=0.01248; SF4=0.06639;
r=TRP; n=293; a=H; | I=0.00000; O=0.02283; N=0.00000; P=0.00000; | F3S=0.00270; SF4=0.02013;
r=TRP; n=293; a=HB3; | I=0.00000; O=0.02562; N=0.00000; P=0.00000; | F3S=0.00321; SF4=0.02241;
r=TRP; n=293; a=HD1; | I=0.00000; O=0.01722; N=0.00000; P=0.00000; | F3S=0.00290; SF4=0.01431;
r=TRP; n=293; a=HE1; | I=0.00000; O=0.05120; N=0.00000; P=0.00000; | F3S=0.00808; SF4=0.04312;
r=TRP; n=293; a=N; | I=0.00000; O=0.01286; N=0.00000; P=0.00000; | SF4=0.01286;
r=LYS; n=299; a=N; | I=0.00000; O=0.36846; N=0.00000; P=0.00000; | F3S=0.05714; SF4=0.31133;
r=LYS; n=299; a=CA; | I=0.00000; O=0.34387; N=0.00000; P=0.00000; | F3S=0.05662; SF4=0.28725;
r=LYS; n=299; a=C; | I=0.00000; O=0.20871; N=0.00000; P=0.00000; | F3S=0.03245; SF4=0.17626;
r=LYS; n=299; a=O; | I=0.00000; O=0.07986; N=0.00000; P=0.00000; | F3S=0.01266; SF4=0.06720;
r=LYS; n=299; a=CB; | I=0.00000; O=0.63702; N=0.00000; P=0.00000; | F3S=0.11735; SF4=0.51968;
r=LYS; n=299; a=CG; | I=0.00000; O=0.45444; N=0.00000; P=0.00000; | F3S=0.08892; SF4=0.36552;
r=LYS; n=299; a=CD; | I=0.00000; O=0.57027; N=0.00000; P=0.00000; | F3S=0.11573; SF4=0.45454;
r=LYS; n=299; a=CE; | I=0.00000; O=0.27585; N=0.00000; P=0.00000; | F3S=0.05858; SF4=0.21727;
r=LYS; n=299; a=NZ; | I=0.00000; O=0.23759; N=0.00000; P=0.00000; | F3S=0.05321; SF4=0.18439;
r=LYS; n=299; a=H; | I=0.00000; O=0.54034; N=0.00000; P=0.00000; | F3S=0.08651; SF4=0.45384;
r=LYS; n=299; a=HA; | I=0.00000; O=0.21977; N=0.00000; P=0.00000; | F3S=0.03393; SF4=0.18584;
r=LYS; n=299; a=HB2; | I=0.00000; O=0.75715; N=0.00000; P=0.00000; | F3S=0.13673; SF4=0.62042;
r=LYS; n=299; a=HB3; | I=0.00000; O=0.72248; N=0.00000; P=0.00000; | F3S=0.13240; SF4=0.59008;
r=LYS; n=299; a=HG2; | I=0.00000; O=0.26384; N=0.00000; P=0.00000; | F3S=0.04946; SF4=0.21437;
r=LYS; n=299; a=HG3; | I=0.00000; O=0.35314; N=0.00000; P=0.00000; | F3S=0.06768; SF4=0.28546;
r=LYS; n=299; a=HD2; | I=0.00000; O=0.69457; N=0.00000; P=0.00000; | F3S=0.13696; SF4=0.55760;
r=LYS; n=299; a=HD3; | I=0.00000; O=0.64807; N=0.00000; P=0.00000; | F3S=0.12894; SF4=0.51913;
r=LYS; n=299; a=HE2; | I=0.00000; O=0.19386; N=0.00000; P=0.00000; | F3S=0.04119; SF4=0.15268;
r=LYS; n=299; a=HE3; | I=0.00000; O=0.21481; N=0.00000; P=0.00000; | F3S=0.04717; SF4=0.16764;
r=LYS; n=299; a=HZ1; | I=0.00000; O=0.32185; N=0.00000; P=0.00000; | F3S=0.07127; SF4=0.25058;
r=LYS; n=299; a=HZ2; | I=0.00000; O=0.15906; N=0.00000; P=0.00000; | F3S=0.04081; SF4=0.11825;
r=LYS; n=299; a=HZ3; | I=0.00000; O=0.24600; N=0.00000; P=0.00000; | F3S=0.05446; SF4=0.19154;
r=CYS; n=306; a=N; | I=0.00000; O=0.17421; N=0.00000; P=0.00000; | F3S=0.03064; SF4=0.14357;
r=CYS; n=306; a=CA; | I=0.00000; O=0.36803; N=0.00000; P=0.00000; | F3S=0.06930; SF4=0.29873;
r=CYS; n=306; a=O; | I=0.00000; O=0.12307; N=0.00000; P=0.00000; | F3S=0.02665; SF4=0.09642;
r=CYS; n=306; a=CB; | I=0.00000; O=0.31261; N=0.00000; P=0.00000; | F3S=0.05172; SF4=0.26090;
r=CYS; n=306; a=H; | I=0.00000; O=0.16031; N=0.00000; P=0.00000; | F3S=0.01676; BU3=0.00001; SF4=0.14353;
r=CYS; n=306; a=HB2; | I=0.00000; O=0.22635; N=0.00000; P=0.00000; | F3S=0.02881; SF4=0.19754;
r=CYS; n=306; a=HB3; | I=0.00000; O=0.34458; N=0.00000; P=0.00000; | F3S=0.05170; SF4=0.29289;
r=CYS; n=306; a=C; | I=0.00000; O=0.25773; N=0.00000; P=0.00000; | F3S=0.05437; SF4=0.20335;
r=CYS; n=306; a=SG; | I=0.00000; O=0.54973; N=0.00000; P=0.00000; | F3S=0.09874; SF4=0.45100;
r=CYS; n=306; a=HA; | I=0.00000; O=0.51958; N=0.00000; P=0.00000; | F3S=0.09780; SF4=0.42179;
r=CYS; n=306; a=HG; | I=0.00000; O=0.43838; N=0.00000; P=0.00000; | F3S=0.07461; SF4=0.36377;
r=LEU; n=307; a=N; | I=0.00000; O=0.39490; N=0.00000; P=0.00000; | F3S=0.08442; SF4=0.31048;
r=LEU; n=307; a=CA; | I=0.00000; O=0.23116; N=0.00000; P=0.00000; | F3S=0.05503; SF4=0.17613;
r=LEU; n=307; a=C; | I=0.00000; O=0.20904; N=0.00000; P=0.00000; | F3S=0.04955; SF4=0.15949;
r=LEU; n=307; a=CB; | I=0.00000; O=0.20298; N=0.00000; P=0.00000; | F3S=0.05113; SF4=0.15185;
r=LEU; n=307; a=CG; | I=0.00000; O=0.17305; N=0.00000; P=0.00000; | F3S=0.04696; SF4=0.12609;
r=LEU; n=307; a=H; | I=0.00000; O=0.58481; N=0.00000; P=0.00000; | F3S=0.11786; SF4=0.46695;
r=LEU; n=307; a=HA; | I=0.00000; O=0.14156; N=0.00000; P=0.00000; | F3S=0.03620; SF4=0.10536;
r=LEU; n=307; a=HB3; | I=0.00000; O=0.26989; N=0.00000; P=0.00000; | F3S=0.06342; SF4=0.20647;
r=LEU; n=307; a=HG; | I=0.00000; O=0.18784; N=0.00000; P=0.00000; | F3S=0.04566; SF4=0.14218;
r=LEU; n=307; a=O; | I=0.00000; O=0.12684; N=0.00000; P=0.00000; | F3S=0.02996; SF4=0.09688;
r=LEU; n=307; a=CD1; | I=0.00000; O=0.09765; N=0.00000; P=0.00000; | F3S=0.02969; SF4=0.06796;
r=LEU; n=307; a=CD2; | I=0.00000; O=0.09260; N=0.00000; P=0.00000; | F3S=0.02911; SF4=0.06350;
r=LEU; n=307; a=HB2; | I=0.00000; O=0.12025; N=0.00000; P=0.00000; | F3S=0.03232; SF4=0.08793;
r=LEU; n=307; a=HD11; | I=0.00000; O=0.08343; N=0.00000; P=0.00000; | F3S=0.02935; SF4=0.05408;
r=LEU; n=307; a=HD12; | I=0.00000; O=0.14064; N=0.00000; P=0.00000; | F3S=0.04054; SF4=0.10009;
r=LEU; n=307; a=HD13; | I=0.00000; O=0.08736; N=0.00000; P=0.00000; | F3S=0.03050; SF4=0.05686;
r=LEU; n=307; a=HD21; | I=0.00000; O=0.07278; N=0.00000; P=0.00000; | F3S=0.02065; SF4=0.05213;
r=LEU; n=307; a=HD22; | I=0.00000; O=0.10719; N=0.00000; P=0.00000; | F3S=0.03216; SF4=0.07503;
r=LEU; n=307; a=HD23; | I=0.00000; O=0.06779; N=0.00000; P=0.00000; | F3S=0.02369; SF4=0.04410;
r=GLY; n=308; a=N; | I=0.00000; O=0.32890; N=0.00000; P=0.00000; | F3S=0.07023; SF4=0.25866;
r=GLY; n=308; a=CA; | I=0.00000; O=0.23048; N=0.00000; P=0.00000; | F3S=0.04795; SF4=0.18253;
r=GLY; n=308; a=C; | I=0.00000; O=0.19643; N=0.00000; P=0.00000; | F3S=0.04062; SF4=0.15580;
r=GLY; n=308; a=H; | I=0.00000; O=0.47977; N=0.00000; P=0.00000; | F3S=0.09687; SF4=0.38290;
r=GLY; n=308; a=HA2; | I=0.00000; O=0.25804; N=0.00000; P=0.00000; | F3S=0.04953; SF4=0.20851;
r=GLY; n=308; a=O; | I=0.00000; O=0.12402; N=0.00000; P=0.00000; | F3S=0.02368; SF4=0.10033;
r=GLY; n=308; a=HA3; | I=0.00000; O=0.13380; N=0.00000; P=0.00000; | F3S=0.02645; SF4=0.10735;
r=CYS; n=309; a=HB2; | I=0.00000; O=0.15096; N=0.00000; P=0.00000; | F3S=0.02909; F4S=0.00113; FSX=0.00027; S3F=0.00036; SF4=0.11974; SF3=0.00036;
r=CYS; n=309; a=O; | I=0.00000; O=0.07857; N=0.00000; P=0.00000; | F3S=0.01401; F4S=0.00038; FSX=0.00009; S3F=0.00012; SF4=0.06384; SF3=0.00013;
r=CYS; n=309; a=CB; | I=0.00000; O=0.25924; N=0.00000; P=0.00000; | F3S=0.05525; F4S=0.00026; FSX=0.00006; S3F=0.00009; SF4=0.20350; SF3=0.00009;
r=CYS; n=309; a=HB3; | I=0.00000; O=0.27582; N=0.00000; P=0.00000; | F3S=0.06144; F4S=0.00019; FSX=0.00005; S3F=0.00007; SF4=0.21399; SF3=0.00007;
r=CYS; n=309; a=HG; | I=0.00000; O=0.37354; N=0.00000; P=0.00000; | F3S=0.07103; F4S=0.00010; FSX=0.00002; S3F=0.00004; SF4=0.30232; SF3=0.00004;
r=CYS; n=309; a=SG; | I=0.00000; O=0.56737; N=0.00000; P=0.00000; | F3S=0.10847; F4S=0.00005; S3F=0.00002; SF4=0.45882; SF3=0.00002;
r=CYS; n=309; a=N; | I=0.00000; O=0.35549; N=0.00000; P=0.00000; | F3S=0.07323; SF4=0.28226;
r=CYS; n=309; a=CA; | I=0.00000; O=0.24862; N=0.00000; P=0.00000; | F3S=0.05313; S3F=0.00002; SF4=0.19545; SF3=0.00002;
r=CYS; n=309; a=H; | I=0.00000; O=0.53183; N=0.00000; P=0.00000; | F3S=0.10636; SF4=0.42547;
r=CYS; n=309; a=C; | I=0.00000; O=0.16548; N=0.00000; P=0.00000; | F3S=0.03265; SF4=0.13282;
r=CYS; n=309; a=HA; | I=0.00000; O=0.12328; N=0.00000; P=0.00000; | F3S=0.02784; F4S=0.00014; S3F=0.00004; SF4=0.09522; SF3=0.00005;
r=THR; n=310; a=CG2; | I=0.00000; O=0.21307; N=0.00000; P=0.00000; | F3S=0.03345; SF4=0.17963;
r=THR; n=310; a=H; | I=0.00000; O=0.20220; N=0.00000; P=0.00000; | F3S=0.03671; SF4=0.16549;
r=THR; n=310; a=HG21; | I=0.00000; O=0.20282; N=0.00000; P=0.00000; | F3S=0.02938; SF4=0.17344;
r=THR; n=310; a=HG23; | I=0.00000; O=0.40101; N=0.00000; P=0.00000; | F3S=0.06838; SF4=0.33262;
r=THR; n=310; a=N; | I=0.00000; O=0.17908; N=0.00000; P=0.00000; | F3S=0.03255; SF4=0.14653;
r=THR; n=310; a=OG1; | I=0.00000; O=0.16056; N=0.00000; P=0.00000; | F3S=0.02496; SF4=0.13560;
r=THR; n=310; a=CA; | I=0.00000; O=0.08403; N=0.00000; P=0.00000; | F3S=0.01348; SF4=0.07056;
r=THR; n=310; a=C; | I=0.00000; O=0.04729; N=0.00000; P=0.00000; | F3S=0.00674; SF4=0.04055;
r=THR; n=310; a=O; | I=0.00000; O=0.02046; N=0.00000; P=0.00000; | F3S=0.00274; SF4=0.01772;
r=THR; n=310; a=CB; | I=0.00000; O=0.13056; N=0.00000; P=0.00000; | F3S=0.01994; SF4=0.11062;
r=THR; n=310; a=HA; | I=0.00000; O=0.09809; N=0.00000; P=0.00000; | F3S=0.01653; SF4=0.08156;
r=THR; n=310; a=HB; | I=0.00000; O=0.07903; N=0.00000; P=0.00000; | F3S=0.01095; SF4=0.06809;
r=THR; n=310; a=HG1; | I=0.00000; O=0.15510; N=0.00000; P=0.00000; | F3S=0.02193; SF4=0.13317;
r=THR; n=310; a=HG22; | I=0.00000; O=0.16952; N=0.00000; P=0.00000; | F3S=0.02613; SF4=0.14338;
r=GLN; n=246; a=N; | I=0.00000; O=0.14434; N=0.00000; P=0.00000; | F3S=0.00052; SF4=0.14381;
r=GLN; n=246; a=CA; | I=0.00000; O=0.30219; N=0.00000; P=0.00000; | BU3=0.00002; SF4=0.30217;
r=GLN; n=246; a=C; | I=0.00000; O=0.17911; N=0.00000; P=0.00000; | SF4=0.17911;
r=GLN; n=246; a=O; | I=0.00000; O=0.20646; N=0.00000; P=0.00000; | BU3=0.00006; SF4=0.20640;
r=GLN; n=246; a=CB; | I=0.00000; O=0.42201; N=0.00000; P=0.00000; | BU3=0.00006; SF4=0.42195;
r=GLN; n=246; a=CG; | I=0.00000; O=0.50569; N=0.00000; P=0.00000; | BU3=0.00035; SF4=0.50534;
r=GLN; n=246; a=CD; | I=0.00000; O=0.52529; N=0.00000; P=0.00000; | BU3=0.00043; SF4=0.52487;
r=GLN; n=246; a=NE2; | I=0.00000; O=0.67728; N=0.00000; P=0.00000; | BU3=0.00175; SF4=0.67553;
r=GLN; n=246; a=OE1; | I=0.00000; O=0.33343; N=0.00000; P=0.00000; | BU3=0.00006; SF4=0.33337;
r=GLN; n=246; a=H; | I=0.00000; O=0.13900; N=0.00000; P=0.00000; | F3S=0.00036; SF4=0.13864;
r=GLN; n=246; a=HA; | I=0.00000; O=0.42690; N=0.00000; P=0.00000; | F3S=0.00028; BU3=0.00014; SF4=0.42647;
r=GLN; n=246; a=HB2; | I=0.00000; O=0.54930; N=0.00000; P=0.00000; | BU3=0.00012; SF4=0.54918;
r=GLN; n=246; a=HB3; | I=0.00000; O=0.24090; N=0.00000; P=0.00000; | SF4=0.24090;
r=GLN; n=246; a=HG2; | I=0.00000; O=0.31460; N=0.00000; P=0.00000; | BU3=0.00014; SF4=0.31447;
r=GLN; n=246; a=HG3; | I=0.00000; O=0.64944; N=0.00000; P=0.00000; | BU3=0.00110; SF4=0.64833;
r=GLN; n=246; a=HE21; | I=0.00000; O=0.76021; N=0.00000; P=0.00000; | BU3=0.00365; SF4=0.75656;
r=GLN; n=246; a=HE22; | I=0.00000; O=0.58460; N=0.00000; P=0.00000; | BU3=0.00142; SF4=0.58318;
r=CYS; n=249; a=CB; | I=0.00000; O=0.36020; N=0.00000; P=0.00000; | BU3=0.00061; SF4=0.35959;
r=CYS; n=249; a=SG; | I=0.00000; O=0.47368; N=0.00000; P=0.00000; | F3S=0.00002; BU3=0.00194; SF4=0.47173;
r=CYS; n=249; a=HB2; | I=0.00000; O=0.30679; N=0.00000; P=0.00000; | F3S=0.00043; BU3=0.00021; SF4=0.30615;
r=CYS; n=249; a=HB3; | I=0.00000; O=0.43953; N=0.00000; P=0.00000; | BU3=0.00112; SF4=0.43841;
r=CYS; n=249; a=HG; | I=0.00000; O=0.69772; N=0.00000; P=0.00000; | F3S=0.00019; BU3=0.00308; SF4=0.69445;
r=CYS; n=249; a=N; | I=0.00000; O=0.06655; N=0.00000; P=0.00000; | BU3=0.00004; SF4=0.06652;
r=CYS; n=249; a=CA; | I=0.00000; O=0.12366; N=0.00000; P=0.00000; | BU3=0.00017; SF4=0.12349;
r=CYS; n=249; a=C; | I=0.00000; O=0.08371; N=0.00000; P=0.00000; | BU3=0.00033; SF4=0.08339;
r=CYS; n=249; a=O; | I=0.00000; O=0.09658; N=0.00000; P=0.00000; | BU3=0.00065; SF4=0.09593;
r=CYS; n=249; a=H; | I=0.00000; O=0.08911; N=0.00000; P=0.00000; | BU3=0.00004; SF4=0.08907;
r=CYS; n=249; a=HA; | I=0.00000; O=0.08022; N=0.00000; P=0.00000; | F3S=0.00002; BU3=0.00006; SF4=0.08014;
r=ARG; n=251; a=CA; | I=0.00000; O=0.25238; N=0.00000; P=0.00000; | BU3=0.00576; SF4=0.24662;
r=ARG; n=251; a=C; | I=0.00000; O=0.38223; N=0.00000; P=0.00000; | BU3=0.00699; SF4=0.37523;
r=ARG; n=251; a=O; | I=0.00000; O=0.47017; N=0.00000; P=0.00000; | BU3=0.00838; SF4=0.46179;
r=ARG; n=251; a=CB; | I=0.00000; O=0.36396; N=0.00000; P=0.00000; | BU3=0.00686; SF4=0.35710;
r=ARG; n=251; a=CG; | I=0.00000; O=0.19762; N=0.00000; P=0.00000; | BU3=0.00508; SF4=0.19254;
r=ARG; n=251; a=CD; | I=0.00000; O=0.18997; N=0.00000; P=0.00000; | BU3=0.00389; SF4=0.18608;
r=ARG; n=251; a=HB2; | I=0.00000; O=0.53553; N=0.00000; P=0.00000; | BU3=0.00689; SF4=0.52864;
r=ARG; n=251; a=HB3; | I=0.00000; O=0.40632; N=0.00000; P=0.00000; | BU3=0.00818; SF4=0.39813;
r=ARG; n=251; a=HD2; | I=0.00000; O=0.28219; N=0.00000; P=0.00000; | BU3=0.00376; SF4=0.27843;
r=ARG; n=251; a=HD3; | I=0.00000; O=0.24008; N=0.00000; P=0.00000; | BU3=0.00557; SF4=0.23452;
r=ARG; n=251; a=N; | I=0.00000; O=0.16920; N=0.00000; P=0.00000; | BU3=0.00319; SF4=0.16601;
r=ARG; n=251; a=H; | I=0.00000; O=0.23181; N=0.00000; P=0.00000; | BU3=0.00273; SF4=0.22908;
r=ARG; n=251; a=HG3; | I=0.00000; O=0.13725; N=0.00000; P=0.00000; | BU3=0.00289; SF4=0.13436;
r=ARG; n=251; a=NE; | I=0.00000; O=0.11199; N=0.00000; P=0.00000; | BU3=0.00287; SF4=0.10913;
r=ARG; n=251; a=HA; | I=0.00000; O=0.16194; N=0.00000; P=0.00000; | BU3=0.00726; SF4=0.15468;
r=ARG; n=251; a=HG2; | I=0.00000; O=0.11704; N=0.00000; P=0.00000; | BU3=0.00521; SF4=0.11183;
r=ARG; n=251; a=HH12; | I=0.00000; O=0.10132; N=0.00000; P=0.00000; | BU3=0.00564; SF4=0.09567;
r=ARG; n=251; a=CZ; | I=0.00000; O=0.07523; N=0.00000; P=0.00000; | BU3=0.00320; SF4=0.07203;
r=ARG; n=251; a=NH1; | I=0.00000; O=0.08598; N=0.00000; P=0.00000; | BU3=0.00509; SF4=0.08088;
r=ARG; n=251; a=NH2; | I=0.00000; O=0.03160; N=0.00000; P=0.00000; | BU3=0.00135; SF4=0.03025;
r=ARG; n=251; a=HE; | I=0.00000; O=0.07677; N=0.00000; P=0.00000; | BU3=0.00170; SF4=0.07507;
r=ARG; n=251; a=HH11; | I=0.00000; O=0.04850; N=0.00000; P=0.00000; | BU3=0.00468; SF4=0.04381;
r=ARG; n=251; a=HH21; | I=0.00000; O=0.01911; N=0.00000; P=0.00000; | BU3=0.00055; SF4=0.01856;
r=ARG; n=251; a=HH22; | I=0.00000; O=0.01729; N=0.00000; P=0.00000; | BU3=0.00330; SF4=0.01399;
r=VAL; n=252; a=N; | I=0.00000; O=0.30904; N=0.00000; P=0.00000; | BU3=0.00491; SF4=0.30414;
r=VAL; n=252; a=CA; | I=0.00000; O=0.32284; N=0.00000; P=0.00000; | BU3=0.00446; SF4=0.31837;
r=VAL; n=252; a=O; | I=0.00000; O=0.20492; N=0.00000; P=0.00000; | BU3=0.00481; SF4=0.20011;
r=VAL; n=252; a=HA; | I=0.00000; O=0.53551; N=0.00000; P=0.00000; | BU3=0.00593; SF4=0.52957;
r=VAL; n=252; a=HB; | I=0.00000; O=0.25939; N=0.00000; P=0.00000; | BU3=0.00159; SF4=0.25780;
r=VAL; n=252; a=HG22; | I=0.00000; O=0.32866; N=0.00000; P=0.00000; | BU3=0.00163; SF4=0.32703;
r=VAL; n=252; a=C; | I=0.00000; O=0.20447; N=0.00000; P=0.00000; | BU3=0.00491; SF4=0.19955;
r=VAL; n=252; a=CB; | I=0.00000; O=0.21432; N=0.00000; P=0.00000; | BU3=0.00200; SF4=0.21232;
r=VAL; n=252; a=CG2; | I=0.00000; O=0.19766; N=0.00000; P=0.00000; | BU3=0.00124; SF4=0.19642;
r=VAL; n=252; a=H; | I=0.00000; O=0.21975; N=0.00000; P=0.00000; | BU3=0.00334; SF4=0.21642;
r=VAL; n=252; a=HG21; | I=0.00000; O=0.13465; N=0.00000; P=0.00000; | BU3=0.00052; SF4=0.13413;
r=VAL; n=252; a=HG23; | I=0.00000; O=0.14670; N=0.00000; P=0.00000; | BU3=0.00134; SF4=0.14537;
r=VAL; n=252; a=CG1; | I=0.00000; O=0.06547; N=0.00000; P=0.00000; | BU3=0.00108; SF4=0.06440;
r=VAL; n=252; a=HG11; | I=0.00000; O=0.06835; N=0.00000; P=0.00000; | BU3=0.00171; SF4=0.06664;
r=VAL; n=252; a=HG12; | I=0.00000; O=0.05888; N=0.00000; P=0.00000; | BU3=0.00068; SF4=0.05820;
r=VAL; n=252; a=HG13; | I=0.00000; O=0.07646; N=0.00000; P=0.00000; | BU3=0.00210; SF4=0.07436;
r=PHE; n=255; a=N; | I=0.00000; O=0.30236; N=0.00000; P=0.00000; | BU3=0.00805; SF4=0.29431;
r=PHE; n=255; a=CA; | I=0.00000; O=0.37081; N=0.00000; P=0.00000; | BU3=0.00751; SF4=0.36330;
r=PHE; n=255; a=C; | I=0.00000; O=0.18673; N=0.00000; P=0.00000; | BU3=0.00543; SF4=0.18130;
r=PHE; n=255; a=O; | I=0.00000; O=0.14387; N=0.00000; P=0.00000; | BU3=0.00457; SF4=0.13930;
r=PHE; n=255; a=CB; | I=0.00000; O=0.62941; N=0.00000; P=0.00000; | BU3=0.00777; SF4=0.62164;
r=PHE; n=255; a=CG; | I=0.00000; O=0.57932; N=0.00000; P=0.00000; | BU3=0.00558; SF4=0.57375;
r=PHE; n=255; a=CD1; | I=0.00000; O=0.34463; N=0.00000; P=0.00000; | BU3=0.00230; SF4=0.34233;
r=PHE; n=255; a=CD2; | I=0.00000; O=0.64767; N=0.00000; P=0.00000; | BU3=0.00500; SF4=0.64266;
r=PHE; n=255; a=CE1; | I=0.00000; O=0.23041; N=0.00000; P=0.00000; | BU3=0.00055; SF4=0.22986;
r=PHE; n=255; a=CE2; | I=0.00000; O=0.46807; N=0.00000; P=0.00000; | BU3=0.00153; SF4=0.46654;
r=PHE; n=255; a=CZ; | I=0.00000; O=0.27320; N=0.00000; P=0.00000; | BU3=0.00043; SF4=0.27277;
r=PHE; n=255; a=H; | I=0.00000; O=0.35082; N=0.00000; P=0.00000; | BU3=0.00806; SF4=0.34276;
r=PHE; n=255; a=HA; | I=0.00000; O=0.37040; N=0.00000; P=0.00000; | BU3=0.00766; SF4=0.36274;
r=PHE; n=255; a=HB2; | I=0.00000; O=0.81404; N=0.00000; P=0.00000; | BU3=0.00867; SF4=0.80537;
r=PHE; n=255; a=HB3; | I=0.00000; O=0.55726; N=0.00000; P=0.00000; | BU3=0.00691; SF4=0.55035;
r=PHE; n=255; a=HD1; | I=0.00000; O=0.24266; N=0.00000; P=0.00000; | BU3=0.00198; SF4=0.24068;
r=PHE; n=255; a=HD2; | I=0.00000; O=0.74873; N=0.00000; P=0.00000; | BU3=0.00660; SF4=0.74213;
r=PHE; n=255; a=HE1; | I=0.00000; O=0.13147; N=0.00000; P=0.00000; | BU3=0.00016; SF4=0.13131;
r=PHE; n=255; a=HE2; | I=0.00000; O=0.41503; N=0.00000; P=0.00000; | BU3=0.00094; SF4=0.41409;
r=PHE; n=255; a=HZ; | I=0.00000; O=0.15819; N=0.00000; P=0.00000; | BU3=0.00006; SF4=0.15812;
r=CYS; n=272; a=N; | I=0.00000; O=0.16692; N=0.00000; P=0.00000; | BU3=0.00888; SF4=0.15804;
r=CYS; n=272; a=CA; | I=0.00000; O=0.37435; N=0.00000; P=0.00000; | BU3=0.00845; SF4=0.36591;
r=CYS; n=272; a=C; | I=0.00000; O=0.30662; N=0.00000; P=0.00000; | BU3=0.00671; SF4=0.29991;
r=CYS; n=272; a=O; | I=0.00000; O=0.16675; N=0.00000; P=0.00000; | BU3=0.00559; SF4=0.16116;
r=CYS; n=272; a=CB; | I=0.00000; O=0.52833; N=0.00000; P=0.00000; | BU3=0.00887; SF4=0.51946;
r=CYS; n=272; a=SG; | I=0.00000; O=0.85530; N=0.00000; P=0.00000; | BU3=0.00882; SF4=0.84648;
r=CYS; n=272; a=H; | I=0.00000; O=0.11466; N=0.00000; P=0.00000; | BU3=0.00938; SF4=0.10528;
r=CYS; n=272; a=HA; | I=0.00000; O=0.46141; N=0.00000; P=0.00000; | BU3=0.00863; SF4=0.45278;
r=CYS; n=272; a=HB2; | I=0.00000; O=0.47193; N=0.00000; P=0.00000; | BU3=0.00901; SF4=0.46293;
r=CYS; n=272; a=HB3; | I=0.00000; O=0.36756; N=0.00000; P=0.00000; | BU3=0.00826; SF4=0.35930;
r=CYS; n=272; a=HG; | I=0.00000; O=0.90418; N=0.00000; P=0.00000; | BU3=0.00904; SF4=0.89514;
r=LEU; n=273; a=N; | I=0.00000; O=0.39446; N=0.00000; P=0.00000; | BU3=0.00581; SF4=0.38865;
r=LEU; n=273; a=CA; | I=0.00000; O=0.25417; N=0.00000; P=0.00000; | BU3=0.00329; SF4=0.25088;
r=LEU; n=273; a=C; | I=0.00000; O=0.29213; N=0.00000; P=0.00000; | BU3=0.00250; SF4=0.28963;
r=LEU; n=273; a=O; | I=0.00000; O=0.14907; N=0.00000; P=0.00000; | BU3=0.00090; SF4=0.14818;
r=LEU; n=273; a=CB; | I=0.00000; O=0.22129; N=0.00000; P=0.00000; | BU3=0.00210; SF4=0.21919;
r=LEU; n=273; a=CG; | I=0.00000; O=0.15047; N=0.00000; P=0.00000; | BU3=0.00203; SF4=0.14844;
r=LEU; n=273; a=CD1; | I=0.00000; O=0.11223; N=0.00000; P=0.00000; | BU3=0.00089; SF4=0.11134;
r=LEU; n=273; a=H; | I=0.00000; O=0.49977; N=0.00000; P=0.00000; | BU3=0.00647; SF4=0.49331;
r=LEU; n=273; a=HA; | I=0.00000; O=0.14451; N=0.00000; P=0.00000; | BU3=0.00315; SF4=0.14136;
r=LEU; n=273; a=HB2; | I=0.00000; O=0.38915; N=0.00000; P=0.00000; | BU3=0.00278; SF4=0.38637;
r=LEU; n=273; a=HB3; | I=0.00000; O=0.14022; N=0.00000; P=0.00000; | BU3=0.00093; SF4=0.13930;
r=LEU; n=273; a=HG; | I=0.00000; O=0.18672; N=0.00000; P=0.00000; | BU3=0.00314; SF4=0.18358;
r=LEU; n=273; a=HD11; | I=0.00000; O=0.19289; N=0.00000; P=0.00000; | F3S=0.00005; BU3=0.00112; SF4=0.19173;
r=LEU; n=273; a=HD12; | I=0.00000; O=0.08489; N=0.00000; P=0.00000; | BU3=0.00055; SF4=0.08434;
r=LEU; n=273; a=HD21; | I=0.00000; O=0.04676; N=0.00000; P=0.00000; | BU3=0.00169; SF4=0.04507;
r=LEU; n=273; a=CD2; | I=0.00000; O=0.05257; N=0.00000; P=0.00000; | BU3=0.00122; SF4=0.05134;
r=LEU; n=273; a=HD13; | I=0.00000; O=0.08210; N=0.00000; P=0.00000; | BU3=0.00088; SF4=0.08122;
r=LEU; n=273; a=HD22; | I=0.00000; O=0.05042; N=0.00000; P=0.00000; | BU3=0.00173; SF4=0.04869;
r=LEU; n=273; a=HD23; | I=0.00000; O=0.02941; N=0.00000; P=0.00000; | BU3=0.00058; SF4=0.02882;
r=PHE; n=274; a=N; | I=0.00000; O=0.46886; N=0.00000; P=0.00000; | BU3=0.00379; SF4=0.46507;
r=PHE; n=274; a=CA; | I=0.00000; O=0.39044; N=0.00000; P=0.00000; | BU3=0.00210; SF4=0.38834;
r=PHE; n=274; a=C; | I=0.00000; O=0.17892; N=0.00000; P=0.00000; | BU3=0.00105; SF4=0.17787;
r=PHE; n=274; a=O; | I=0.00000; O=0.11622; N=0.00000; P=0.00000; | BU3=0.00030; SF4=0.11592;
r=PHE; n=274; a=CB; | I=0.00000; O=0.57714; N=0.00000; P=0.00000; | BU3=0.00304; SF4=0.57410;
r=PHE; n=274; a=CG; | I=0.00000; O=0.37082; N=0.00000; P=0.00000; | BU3=0.00102; SF4=0.36980;
r=PHE; n=274; a=CD1; | I=0.00000; O=0.19506; N=0.00000; P=0.00000; | BU3=0.00056; SF4=0.19450;
r=PHE; n=274; a=CD2; | I=0.00000; O=0.32803; N=0.00000; P=0.00000; | BU3=0.00028; SF4=0.32775;
r=PHE; n=274; a=CE1; | I=0.00000; O=0.12047; N=0.00000; P=0.00000; | BU3=0.00010; SF4=0.12038;
r=PHE; n=274; a=CE2; | I=0.00000; O=0.18403; N=0.00000; P=0.00000; | BU3=0.00004; SF4=0.18399;
r=PHE; n=274; a=CZ; | I=0.00000; O=0.11429; N=0.00000; P=0.00000; | BU3=0.00004; SF4=0.11425;
r=PHE; n=274; a=H; | I=0.00000; O=0.60288; N=0.00000; P=0.00000; | BU3=0.00583; SF4=0.59705;
r=PHE; n=274; a=HA; | I=0.00000; O=0.33915; N=0.00000; P=0.00000; | BU3=0.00104; SF4=0.33811;
r=PHE; n=274; a=HB2; | I=0.00000; O=0.57593; N=0.00000; P=0.00000; | BU3=0.00459; SF4=0.57133;
r=PHE; n=274; a=HB3; | I=0.00000; O=0.78266; N=0.00000; P=0.00000; | BU3=0.00381; SF4=0.77885;
r=PHE; n=274; a=HD1; | I=0.00000; O=0.17302; N=0.00000; P=0.00000; | BU3=0.00095; SF4=0.17207;
r=PHE; n=274; a=HD2; | I=0.00000; O=0.44025; N=0.00000; P=0.00000; | BU3=0.00031; SF4=0.43994;
r=PHE; n=274; a=HE1; | I=0.00000; O=0.06662; N=0.00000; P=0.00000; | BU3=0.00007; SF4=0.06655;
r=PHE; n=274; a=HE2; | I=0.00000; O=0.13729; N=0.00000; P=0.00000; | SF4=0.13729;
r=PHE; n=274; a=HZ; | I=0.00000; O=0.06136; N=0.00000; P=0.00000; | SF4=0.06136;
r=CYS; n=279; a=N; | I=0.00000; O=0.08832; N=0.00000; P=0.00000; | BU3=0.00003; SF4=0.08828;
r=CYS; n=279; a=CA; | I=0.00000; O=0.18128; N=0.00000; P=0.00000; | F3S=0.00035; BU3=0.00008; SF4=0.18085;
r=CYS; n=279; a=C; | I=0.00000; O=0.19963; N=0.00000; P=0.00000; | F3S=0.00036; BU3=0.00002; SF4=0.19925;
r=CYS; n=279; a=O; | I=0.00000; O=0.23687; N=0.00000; P=0.00000; | BU3=0.00006; SF4=0.23681;
r=CYS; n=279; a=CB; | I=0.00000; O=0.39526; N=0.00000; P=0.00000; | F3S=0.00002; BU3=0.00056; SF4=0.39468;
r=CYS; n=279; a=SG; | I=0.00000; O=0.42780; N=0.00000; P=0.00000; | F3S=0.00208; BU3=0.00044; SF4=0.42527;
r=CYS; n=279; a=H; | I=0.00000; O=0.10674; N=0.00000; P=0.00000; | BU3=0.00014; SF4=0.10660;
r=CYS; n=279; a=HA; | I=0.00000; O=0.08788; N=0.00000; P=0.00000; | F3S=0.00202; SF4=0.08586;
r=CYS; n=279; a=HB2; | I=0.00000; O=0.29959; N=0.00000; P=0.00000; | BU3=0.00061; SF4=0.29897;
r=CYS; n=279; a=HB3; | I=0.00000; O=0.51977; N=0.00000; P=0.00000; | BU3=0.00130; SF4=0.51847;
r=CYS; n=279; a=HG; | I=0.00000; O=0.62309; N=0.00000; P=0.00000; | F3S=0.00073; BU3=0.00195; SF4=0.62042;
r=GLY; n=281; a=N; | I=0.00000; O=0.21886; N=0.00000; P=0.00000; | F3S=0.00329; SF4=0.21557;
r=GLY; n=281; a=CA; | I=0.00000; O=0.23301; N=0.00000; P=0.00000; | F3S=0.00390; SF4=0.22911;
r=GLY; n=281; a=C; | I=0.00000; O=0.21651; N=0.00000; P=0.00000; | F3S=0.00057; SF4=0.21594;
r=GLY; n=281; a=O; | I=0.00000; O=0.13742; N=0.00000; P=0.00000; | F3S=0.00091; SF4=0.13651;
r=GLY; n=281; a=H; | I=0.00000; O=0.27000; N=0.00000; P=0.00000; | F3S=0.00344; BU3=0.00002; SF4=0.26654;
r=GLY; n=281; a=HA2; | I=0.00000; O=0.17915; N=0.00000; P=0.00000; | F3S=0.01195; SF4=0.16720;
r=GLY; n=281; a=HA3; | I=0.00000; O=0.35930; N=0.00000; P=0.00000; | F3S=0.00387; BU3=0.00005; SF4=0.35539;
r=PRO; n=282; a=N; | I=0.00000; O=0.34612; N=0.00000; P=0.00000; | SF4=0.34612;
r=PRO; n=282; a=CA; | I=0.00000; O=0.21881; N=0.00000; P=0.00000; | SF4=0.21881;
r=PRO; n=282; a=C; | I=0.00000; O=0.08260; N=0.00000; P=0.00000; | SF4=0.08260;
r=PRO; n=282; a=CB; | I=0.00000; O=0.27440; N=0.00000; P=0.00000; | SF4=0.27440;
r=PRO; n=282; a=CG; | I=0.00000; O=0.53813; N=0.00000; P=0.00000; | BU3=0.00014; SF4=0.53799;
r=PRO; n=282; a=CD; | I=0.00000; O=0.53459; N=0.00000; P=0.00000; | BU3=0.00008; SF4=0.53451;
r=PRO; n=282; a=HA; | I=0.00000; O=0.20919; N=0.00000; P=0.00000; | SF4=0.20919;
r=PRO; n=282; a=HB2; | I=0.00000; O=0.21186; N=0.00000; P=0.00000; | SF4=0.21186;
r=PRO; n=282; a=HB3; | I=0.00000; O=0.15219; N=0.00000; P=0.00000; | SF4=0.15219;
r=PRO; n=282; a=HG2; | I=0.00000; O=0.50240; N=0.00000; P=0.00000; | BU3=0.00027; SF4=0.50213;
r=PRO; n=282; a=HG3; | I=0.00000; O=0.68708; N=0.00000; P=0.00000; | BU3=0.00048; SF4=0.68660;
r=PRO; n=282; a=HD2; | I=0.00000; O=0.71110; N=0.00000; P=0.00000; | BU3=0.00036; SF4=0.71074;
r=PRO; n=282; a=HD3; | I=0.00000; O=0.39605; N=0.00000; P=0.00000; | BU3=0.00004; SF4=0.39601;
r=PRO; n=282; a=O; | I=0.00000; O=0.06894; N=0.00000; P=0.00000; | SF4=0.06894;