atom_numb.h

// Number of atoms for each type of amino acid
char AA_ATOM_NUMB[]="AEQDNLGKSVRTPIMFYCWH";
int atom_numb[21]={12,18,19,15,16,21,9,23,13,18,25,16,16,21,19,22,23,13,26,19,0};
// From the below numbers we eliminated 1 Oxygen and two hydrogens
// Average number of heavy atoms: 8.35
/*Alanine C3H7NO2*/ //A=13;
/*Arginine C6H14N4O2*/ //R=26;
/*Asparagine C4H8N2O3*/ //N=17;
/*Aspartic Acid C4H7NO4*/ //D=16;
/*Cysteine C3H7NO2S*/ //C=14;
/*Glutamic Acid C5H9NO4*/ //E=19;
/*Glutamine C5H10N2O3*/ //Q=20;
/*Glycine C2H5NO2*/ //G=10;
/*Histidine C6H9N3O2*/ //H=20;
/*Isoleucine C6H13NO2*/ //I=22;
/*Leucine C6H13NO2*/ //L=22;
/*Lysine C6H14N2O2*/ //K=24;
/*Methionine C5H11NO2S*/ //M=20;
/*Phenylalanine C9H11NO2*/ //F=23;
/*Proline C5H9NO2*/ //P=17;
/*Serine C3H7NO3*/ //S=14;
/*Threonine C4H9NO3*/ //T=17;
/*Tryptophan C11H12N2O2*/ //W=27;
/*Tyrosine C9H11N1O3*/ //Y=24;
/*Valine C5H11NO2*/ //V=19; 
/* Gap -=20; */