TABLE 5.

The Optimized CG Parameters for the Dihedral Interaction Term Described by Equation (8)

torsion	V1	δ1	V2	δ2	V3	δ3
1’-2-3-4a	3.354	120	−0.606	180	−0.068	120
1’-2-3-9	3.801	120	0.383	180	−0.287	120
1-2-1'-2'	1.358	0	0.944	180	0.574	0
1-2-3-4	2.964	15	−0.099	180	−0.247	15
1'-2-3-5	3.603	120	1.167	180	−0.325	120
1-2-3-5	3.768	0	0.52	180	0.581	0
1'-2-3-6	3.409	120	−0.265	180	−0.226	120
1-2-3-6	3.077	30	0.306	180	0.246	30
1-2-3-9	3.299	15	0.634	180	−0.204	15
1'-2-8-4	3.461	120	−0.617	180	0.294	120
1-2-8-4	3.321	30	1.121	180	−0.156	30
1'-2-8-6	2.737	120	−0.666	180	0.148	120
1-2-8-6	2.51	30	0.518	180	−0.17	30
1'-2-8-7	3.304	120	1.349	180	−0.342	120
1-2-8-7	3.844	0	0.567	180	0.534	0
2-1-2'-1'	−1.626	135	−0.113	180	−0.246	135
2'-1'-2-3	−1.661	60	0.455	180	0.311	60
2'-1-2-3	1.387	120	0.898	180	−0.516	120
2'-1'-2-8	−1.531	45	0.489	180	0.686	45
2'-1-2-8	1.38	135	0.908	180	−0.691	135
2-3-4-9	7.114	150	−2.4	180	0.516	150
2-3-5-6	−3.328	120	0.95	180	0.101	120
2-3-6-5	5.639	150	−2.063	180	−0.009	150
2-3-9-4	2.959	15	−1.022	180	0.666	15
2-8-4-7	5.024	165	−1.509	180	−1.807	165
2-8-6-7	4.756	165	−1.037	180	−1.455	165
2-8-7-4	−4.072	150	0.544	180	−0.144	150
2-8-7-6	3.51	0	0.425	180	0.457	0

^aThe prime in the table indicates the atom comes from its neighbor residue