22
name lys.n type np charge -0.463
name lys.hn type hd charge 0.252
name lys.ca type c3 charge 0.035
name lys.ha type h charge 0.048
name lys.c type c2 charge 0.616
name lys.o type o2 charge -0.504
name lys.cb type c3 charge -0.098
name lys.hb1 type h charge 0.038
name lys.hb2 type h charge 0.038
name lys.cg type c3 charge -0.160
name lys.hg1 type h charge 0.116
name lys.hg2 type h charge 0.116
name lys.cd type c3 charge -0.180
name lys.hd1 type h charge 0.122
name lys.hd2 type h charge 0.122
name lys.ce type c3 charge -0.038
name lys.he1 type h charge 0.098
name lys.he2 type h charge 0.098
name lys.nz type n3 charge -0.138
name lys.hz1 type hd charge 0.294
name lys.hz2 type hd charge 0.294
name lys.hz3 type hd charge 0.294
21
lys.n lys.hn 1
lys.n lys.ca 1
lys.ca lys.c 1
lys.ca lys.cb 1
lys.ca lys.ha 1
lys.c lys.o 2
lys.cb lys.cg 1
lys.cb lys.hb1 1
lys.cb lys.hb2 1
lys.cg lys.cd 1
lys.cg lys.hg1 1
lys.cg lys.hg2 1
lys.cd lys.ce 1
lys.cd lys.hd1 1
lys.cd lys.hd2 1
lys.ce lys.nz 1
lys.ce lys.he1 1
lys.ce lys.he2 1
lys.nz lys.hz1 1
lys.nz lys.hz2 1
lys.nz lys.hz3 1
0
2
lys.n lys.cb lys.c lys.ca  4 .494427
lys.n lys.cb lys.c lys.ha  4  1.606971
0
