11
name cys.n type np charge -0.463
name cys.hn type hd charge 0.252
name cys.ca type c3 charge 0.035
name cys.ha type h charge 0.048
name cys.c type c2 charge 0.616
name cys.o type o2 charge -0.504
name cys.cb type c3 charge -0.060
name cys.hb1 type h charge 0.038
name cys.hb2 type h charge 0.038
name cys.sg type s34 charge -0.135
name cys.hg type h charge 0.135
10
cys.n cys.hn 1
cys.n cys.ca 1
cys.ca cys.c 1
cys.ca cys.cb 1
cys.ca cys.ha 1
cys.c cys.o 2
cys.cb cys.sg 1
cys.cb cys.hb1 1
cys.cb cys.hb2 1
cys.sg cys.hg 1
0
2
cys.n cys.cb cys.c cys.ca  4 .494427
cys.n cys.cb cys.c cys.ha  4  1.606971
0
