FMO DATABASE

FMODB ID: LN189

Calculation Name: 3HJ4-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 3HJ4

Chain ID: A

ChEMBL ID:

UniProt ID: C7AJA4

Base Structure: X-ray

Registration Date: 2023-09-24

Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.

DOI:

IFIE MAP

IFIE Diagram

Modeling method

Optimization	MOE:Amber10:EHT
Restraint	OptAll
Protonation	MOE:Protonate 3D
Complement	MOE:Structure Preparation
Water	No
Procedure	Auto-FMO protocol ver. 2.20220422

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	381
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-6653609.37792
FMO2-HF: Nuclear repulsion	6498694.645755
FMO2-HF: Total energy	-154914.732165
FMO2-MP2: Total energy	-155363.395261

3D Structure

Snapshot

Ligand structure

Ligand Interaction

Ligand binding energy

IFIE [kcal/mol]	PIEDA [kcal/mol]				Charge transfer value [e]
IFIE SUMIFIE SUM at MP2 level.	ESElectro static interaction energy.	EXExchange-repulsion energy.	CT+mixCharge transfer and mixing terms energy.	DI(MP2)Dispersion energy.	q(I=>J)Charge transfer value from I to J fragments.
N/A	N/A	N/A	N/A	N/A	N/A

Interactive mode: IFIE and PIEDA for fragment #1(A:3:VAL)

Summations of interaction energy for fragment #1(A:3:VAL)

IFIE [kcal/mol]	PIEDA [kcal/mol]				Charge transfer value [e]
IFIE SUMIFIE SUM at MP2 level.	ESElectro static interaction energy.	EXExchange-repulsion energy.	CT+mixCharge transfer and mixing terms energy.	DI(MP2)Dispersion energy.	q(I=>J)Charge transfer value from I to J fragments.
-2.773	1.203	0.789	-1.311	-3.452	-0.002

Interaction energy analysis for fragmet #1(A:3:VAL)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.010 / q_NPA : -0.008

Distance from base fragment(s) [Å]

Dist

Interaction energy by IFIE and PIEDA
[kcal/mol]

| Total | > | ES | > | EX | >
| CT+mix | > | DI(MP2) | >

Fragment charge [e]

FCHARGE q_Mulliken
q_NPA q(I=>J)

Residue

Res # RES

Sort

Graph Options

X Axis Label
Y Axis Max Y Axis Min
Display ES EX CT+mix DI(MP2)

frag_NumFragment number.	ChainChain species.	Res #Residue number.	RES3-letter code of amino acid residue, ligand and solvent molecule.	FCHARGEFormal charge [e].	q_MullikenFragment charge evaluated by Mulliken charge [e].	q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e].	DISTDistance from Ligand [Å].	TotalIFIE at MP2 level [kcal/mol].	ESElectro static interaction energy by PIEDA [kcal/mol].	EXExchange-repulsion energy by PIEDA [kcal/mol].	CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol].	DI(MP2)Dispersion energy by PIEDA [kcal/mol].	q(I=>J)Charge transfer value from I to J fragmens [e].
3	A	5	LYS	1	0.918	0.972	3.695	-2.971	-1.500	0.000	-0.518	-0.953	0.001
4	A	6	ARG	1	0.884	0.944	2.856	-1.581	-0.027	0.515	-0.564	-1.506	-0.002
5	A	7	GLU	-1	-0.761	-0.843	2.609	-1.240	-0.440	0.276	-0.221	-0.854	-0.001
6	A	8	PHE	0	0.003	0.007	5.157	0.221	0.314	-0.001	-0.006	-0.085	0.000
7	A	9	ILE	0	-0.006	0.005	8.074	0.067	0.067	0.000	0.000	0.000	0.000
8	A	10	ARG	1	0.859	0.892	6.605	0.500	0.500	0.000	0.000	0.000	0.000
9	A	11	GLY	0	0.007	0.010	9.032	0.035	0.035	0.000	0.000	0.000	0.000
10	A	12	MET	0	-0.022	-0.012	10.832	0.052	0.052	0.000	0.000	0.000	0.000
11	A	13	MET	0	-0.030	0.000	12.823	0.029	0.029	0.000	0.000	0.000	0.000
12	A	14	ALA	0	0.005	0.009	13.326	0.010	0.010	0.000	0.000	0.000	0.000
13	A	15	HIS	0	0.010	0.007	14.892	0.020	0.020	0.000	0.000	0.000	0.000
14	A	16	TYR	0	-0.005	-0.037	16.896	0.012	0.012	0.000	0.000	0.000	0.000
15	A	17	ARG	1	0.763	0.835	18.015	0.015	0.015	0.000	0.000	0.000	0.000
16	A	18	ALA	0	-0.030	-0.009	19.005	0.002	0.002	0.000	0.000	0.000	0.000
17	A	19	SER	0	-0.099	-0.052	20.719	0.006	0.006	0.000	0.000	0.000	0.000
18	A	20	LEU	0	0.021	0.002	22.650	0.006	0.006	0.000	0.000	0.000	0.000
19	A	21	PRO	0	-0.045	-0.024	25.057	-0.004	-0.004	0.000	0.000	0.000	0.000
20	A	22	PRO	0	0.033	0.028	28.389	0.000	0.000	0.000	0.000	0.000	0.000
21	A	23	PRO	0	0.024	-0.006	29.267	0.003	0.003	0.000	0.000	0.000	0.000
22	A	24	GLU	-1	-0.927	-0.963	32.016	-0.016	-0.016	0.000	0.000	0.000	0.000
23	A	25	HIS	0	-0.041	-0.024	32.449	-0.001	-0.001	0.000	0.000	0.000	0.000
24	A	26	SER	0	0.013	0.006	34.510	0.001	0.001	0.000	0.000	0.000	0.000
25	A	27	VAL	0	0.035	0.017	36.774	0.002	0.002	0.000	0.000	0.000	0.000
26	A	28	VAL	0	0.011	0.010	36.329	0.001	0.001	0.000	0.000	0.000	0.000
27	A	29	ILE	0	0.002	-0.001	36.081	0.001	0.001	0.000	0.000	0.000	0.000
28	A	30	HIS	0	0.000	0.005	39.175	0.002	0.002	0.000	0.000	0.000	0.000
29	A	31	GLU	-1	-0.802	-0.902	42.113	-0.005	-0.005	0.000	0.000	0.000	0.000
30	A	32	LEU	0	-0.052	-0.009	39.550	0.000	0.000	0.000	0.000	0.000	0.000
31	A	33	GLN	0	-0.031	-0.034	42.914	0.000	0.000	0.000	0.000	0.000	0.000
32	A	34	LYS	1	0.822	0.891	44.787	0.005	0.005	0.000	0.000	0.000	0.000
33	A	35	ARG	1	0.868	0.929	41.615	0.008	0.008	0.000	0.000	0.000	0.000
34	A	36	VAL	0	0.008	-0.001	44.894	0.000	0.000	0.000	0.000	0.000	0.000
35	A	37	LEU	0	-0.036	-0.018	47.930	0.001	0.001	0.000	0.000	0.000	0.000
36	A	38	ASP	-1	-0.886	-0.952	50.504	-0.002	-0.002	0.000	0.000	0.000	0.000
37	A	39	ILE	0	-0.014	-0.010	48.795	0.000	0.000	0.000	0.000	0.000	0.000
38	A	40	GLY	0	0.010	-0.004	52.038	0.000	0.000	0.000	0.000	0.000	0.000
39	A	41	MET	0	-0.075	-0.050	53.573	0.001	0.001	0.000	0.000	0.000	0.000
40	A	42	LEU	0	-0.021	0.015	55.888	0.000	0.000	0.000	0.000	0.000	0.000
41	A	43	ALA	0	-0.047	-0.010	55.774	0.000	0.000	0.000	0.000	0.000	0.000
42	A	44	VAL	0	-0.045	-0.035	56.019	0.001	0.001	0.000	0.000	0.000	0.000
43	A	45	ASN	0	-0.002	-0.007	58.711	0.000	0.000	0.000	0.000	0.000	0.000
44	A	46	LYS	1	0.948	0.953	58.827	-0.004	-0.004	0.000	0.000	0.000	0.000
45	A	47	ALA	0	0.025	0.037	54.303	0.001	0.001	0.000	0.000	0.000	0.000
46	A	48	HIS	0	-0.008	-0.005	49.085	-0.001	-0.001	0.000	0.000	0.000	0.000
47	A	49	VAL	0	0.013	0.002	46.864	0.000	0.000	0.000	0.000	0.000	0.000
48	A	50	GLU	-1	-0.819	-0.882	44.631	0.011	0.011	0.000	0.000	0.000	0.000
49	A	51	LEU	0	0.054	0.020	40.034	0.001	0.001	0.000	0.000	0.000	0.000
50	A	52	PHE	0	-0.035	-0.032	39.853	0.002	0.002	0.000	0.000	0.000	0.000
51	A	53	GLY	0	0.044	0.041	36.811	-0.002	-0.002	0.000	0.000	0.000	0.000
52	A	54	SER	0	-0.015	-0.011	31.910	0.002	0.002	0.000	0.000	0.000	0.000
53	A	55	HIS	0	0.032	-0.005	32.779	0.002	0.002	0.000	0.000	0.000	0.000
54	A	56	VAL	0	-0.031	0.009	34.660	0.000	0.000	0.000	0.000	0.000	0.000
55	A	57	SER	0	-0.022	-0.025	33.195	0.002	0.002	0.000	0.000	0.000	0.000
56	A	58	GLY	0	0.047	0.025	31.657	0.003	0.003	0.000	0.000	0.000	0.000
57	A	59	PHE	0	-0.036	-0.020	26.951	-0.001	-0.001	0.000	0.000	0.000	0.000
58	A	60	CYS	0	-0.095	-0.042	28.920	0.001	0.001	0.000	0.000	0.000	0.000
59	A	61	THR	0	0.078	0.052	25.542	-0.001	-0.001	0.000	0.000	0.000	0.000
60	A	62	PRO	0	0.016	-0.004	27.509	0.003	0.003	0.000	0.000	0.000	0.000
61	A	63	HIS	0	0.038	0.013	28.984	0.004	0.004	0.000	0.000	0.000	0.000
62	A	64	SER	0	-0.073	-0.028	29.727	0.003	0.003	0.000	0.000	0.000	0.000
63	A	65	ASP	-1	-0.875	-0.933	32.003	0.002	0.002	0.000	0.000	0.000	0.000
64	A	66	ALA	0	-0.018	-0.018	35.347	0.002	0.002	0.000	0.000	0.000	0.000
65	A	67	ASP	-1	-0.872	-0.928	37.882	0.012	0.012	0.000	0.000	0.000	0.000
66	A	68	ILE	0	0.002	-0.009	40.642	0.000	0.000	0.000	0.000	0.000	0.000
67	A	69	SER	0	-0.019	-0.001	44.083	0.001	0.001	0.000	0.000	0.000	0.000
68	A	70	LEU	0	0.000	0.009	47.125	-0.001	-0.001	0.000	0.000	0.000	0.000
69	A	71	THR	0	-0.037	-0.026	50.475	0.001	0.001	0.000	0.000	0.000	0.000
70	A	72	TYR	0	0.033	0.006	53.522	-0.001	-0.001	0.000	0.000	0.000	0.000
71	A	73	ARG	1	0.918	0.941	57.132	-0.004	-0.004	0.000	0.000	0.000	0.000
72	A	74	ASN	0	-0.026	-0.021	60.559	0.000	0.000	0.000	0.000	0.000	0.000
73	A	75	PHE	0	0.018	0.036	52.827	0.000	0.000	0.000	0.000	0.000	0.000
74	A	76	SER	0	0.048	0.018	57.200	0.001	0.001	0.000	0.000	0.000	0.000
75	A	77	PRO	0	0.027	0.014	52.726	0.000	0.000	0.000	0.000	0.000	0.000
76	A	78	TRP	0	0.023	0.006	53.970	0.000	0.000	0.000	0.000	0.000	0.000
77	A	79	LEU	0	0.006	0.013	57.101	0.000	0.000	0.000	0.000	0.000	0.000
78	A	80	GLN	0	-0.030	-0.007	53.838	-0.001	-0.001	0.000	0.000	0.000	0.000
79	A	81	GLY	0	-0.041	-0.033	56.657	0.001	0.001	0.000	0.000	0.000	0.000
80	A	82	MET	0	0.006	0.037	57.930	0.000	0.000	0.000	0.000	0.000	0.000
81	A	83	GLU	-1	-0.869	-0.938	61.550	0.008	0.008	0.000	0.000	0.000	0.000
82	A	84	ARG	1	0.885	0.920	62.689	-0.007	-0.007	0.000	0.000	0.000	0.000
83	A	85	VAL	0	0.008	0.001	59.374	-0.001	-0.001	0.000	0.000	0.000	0.000
84	A	86	ASP	-1	-0.753	-0.852	57.917	0.010	0.010	0.000	0.000	0.000	0.000
85	A	87	GLU	-1	-0.828	-0.902	59.090	0.005	0.005	0.000	0.000	0.000	0.000
86	A	88	GLN	0	-0.014	-0.004	61.308	-0.001	-0.001	0.000	0.000	0.000	0.000
87	A	89	ASN	0	0.040	0.006	56.043	-0.001	-0.001	0.000	0.000	0.000	0.000
88	A	90	ASN	0	0.005	-0.015	56.826	-0.001	-0.001	0.000	0.000	0.000	0.000
89	A	91	LYS	1	0.787	0.899	58.074	-0.006	-0.006	0.000	0.000	0.000	0.000
90	A	92	ARG	1	0.893	0.950	56.894	-0.007	-0.007	0.000	0.000	0.000	0.000
91	A	93	MET	0	0.010	0.019	50.366	-0.001	-0.001	0.000	0.000	0.000	0.000
92	A	94	THR	0	-0.039	-0.030	54.911	-0.001	-0.001	0.000	0.000	0.000	0.000
93	A	95	ARG	1	0.769	0.877	57.442	-0.001	-0.001	0.000	0.000	0.000	0.000
94	A	96	PHE	0	0.073	0.019	49.222	-0.001	-0.001	0.000	0.000	0.000	0.000
95	A	97	GLY	0	0.060	0.030	52.030	-0.001	-0.001	0.000	0.000	0.000	0.000
96	A	98	LYS	1	0.888	0.956	53.053	-0.001	-0.001	0.000	0.000	0.000	0.000
97	A	99	GLU	-1	-0.764	-0.874	54.830	-0.002	-0.002	0.000	0.000	0.000	0.000
98	A	100	ALA	0	0.029	0.012	49.531	-0.001	-0.001	0.000	0.000	0.000	0.000
99	A	101	SER	0	-0.031	-0.022	50.746	-0.001	-0.001	0.000	0.000	0.000	0.000
100	A	102	ALA	0	-0.068	-0.030	52.252	-0.001	-0.001	0.000	0.000	0.000	0.000
101	A	103	MET	0	-0.061	-0.025	51.833	-0.001	-0.001	0.000	0.000	0.000	0.000
102	A	104	GLY	0	0.008	0.016	49.661	0.000	0.000	0.000	0.000	0.000	0.000
103	A	105	MET	0	-0.066	-0.018	45.936	-0.001	-0.001	0.000	0.000	0.000	0.000
104	A	106	GLU	-1	-0.898	-0.963	42.622	-0.013	-0.013	0.000	0.000	0.000	0.000
105	A	107	ASP	-1	-0.845	-0.924	44.382	-0.007	-0.007	0.000	0.000	0.000	0.000
106	A	108	VAL	0	-0.028	0.004	46.315	0.001	0.001	0.000	0.000	0.000	0.000
107	A	109	ARG	1	0.770	0.872	46.385	0.004	0.004	0.000	0.000	0.000	0.000
108	A	110	TYR	0	-0.018	-0.010	48.746	0.001	0.001	0.000	0.000	0.000	0.000
109	A	111	ILE	0	-0.017	0.000	47.103	0.000	0.000	0.000	0.000	0.000	0.000
110	A	112	ARG	1	0.865	0.928	51.602	-0.003	-0.003	0.000	0.000	0.000	0.000
111	A	113	ALA	0	0.034	0.015	52.581	0.000	0.000	0.000	0.000	0.000	0.000
112	A	114	ARG	1	0.730	0.826	54.618	-0.011	-0.011	0.000	0.000	0.000	0.000
113	A	115	ILE	0	0.036	0.020	49.985	0.000	0.000	0.000	0.000	0.000	0.000
114	A	116	PRO	0	-0.065	-0.013	51.519	0.000	0.000	0.000	0.000	0.000	0.000
115	A	117	VAL	0	0.029	0.001	47.058	0.001	0.001	0.000	0.000	0.000	0.000
116	A	118	VAL	0	-0.051	-0.042	48.335	-0.001	-0.001	0.000	0.000	0.000	0.000
117	A	119	GLN	0	-0.021	-0.011	42.898	0.000	0.000	0.000	0.000	0.000	0.000
118	A	120	PHE	0	-0.015	-0.023	43.874	0.000	0.000	0.000	0.000	0.000	0.000
119	A	121	THR	0	0.064	0.053	39.758	0.001	0.001	0.000	0.000	0.000	0.000
120	A	122	ASP	-1	-0.704	-0.826	40.533	-0.009	-0.009	0.000	0.000	0.000	0.000
121	A	123	GLY	0	0.056	0.037	41.354	-0.002	-0.002	0.000	0.000	0.000	0.000
122	A	124	VAL	0	-0.127	-0.062	41.540	-0.001	-0.001	0.000	0.000	0.000	0.000
123	A	125	THR	0	-0.072	-0.073	37.030	-0.001	-0.001	0.000	0.000	0.000	0.000
124	A	126	GLY	0	0.035	0.026	36.577	-0.002	-0.002	0.000	0.000	0.000	0.000
125	A	127	ILE	0	-0.039	-0.015	35.179	0.001	0.001	0.000	0.000	0.000	0.000
126	A	128	HIS	0	-0.009	0.001	36.834	-0.001	-0.001	0.000	0.000	0.000	0.000
127	A	129	CYS	0	-0.033	-0.014	38.584	0.001	0.001	0.000	0.000	0.000	0.000
128	A	130	ASP	-1	-0.810	-0.893	41.356	0.005	0.005	0.000	0.000	0.000	0.000
129	A	131	VAL	0	-0.025	0.005	43.248	0.001	0.001	0.000	0.000	0.000	0.000
130	A	132	SER	0	-0.002	-0.009	46.154	0.001	0.001	0.000	0.000	0.000	0.000
131	A	133	ILE	0	-0.016	-0.020	48.267	0.000	0.000	0.000	0.000	0.000	0.000
132	A	134	GLY	0	0.012	-0.013	50.879	0.001	0.001	0.000	0.000	0.000	0.000
133	A	135	ASN	0	-0.012	0.016	44.254	0.002	0.002	0.000	0.000	0.000	0.000
134	A	136	ILE	0	0.028	-0.011	45.780	0.000	0.000	0.000	0.000	0.000	0.000
135	A	137	GLY	0	0.031	0.023	45.273	0.001	0.001	0.000	0.000	0.000	0.000
136	A	138	GLY	0	0.063	0.027	41.589	0.002	0.002	0.000	0.000	0.000	0.000
137	A	139	VAL	0	-0.014	0.002	40.927	0.001	0.001	0.000	0.000	0.000	0.000
138	A	140	GLU	-1	-0.807	-0.911	41.703	0.019	0.019	0.000	0.000	0.000	0.000
139	A	141	ASN	0	-0.037	-0.032	37.737	0.002	0.002	0.000	0.000	0.000	0.000
140	A	142	SER	0	0.030	-0.009	37.130	0.002	0.002	0.000	0.000	0.000	0.000
141	A	143	LYS	1	0.824	0.910	36.941	-0.015	-0.015	0.000	0.000	0.000	0.000
142	A	144	ILE	0	0.008	0.015	36.569	0.001	0.001	0.000	0.000	0.000	0.000
143	A	145	LEU	0	-0.046	-0.030	32.523	0.003	0.003	0.000	0.000	0.000	0.000
144	A	146	CYS	0	-0.007	0.001	32.828	0.002	0.002	0.000	0.000	0.000	0.000
145	A	147	ALA	0	0.001	0.000	33.589	0.001	0.001	0.000	0.000	0.000	0.000
146	A	148	ILE	0	-0.023	-0.018	30.233	0.003	0.003	0.000	0.000	0.000	0.000
147	A	149	ARG	1	0.872	0.951	28.165	-0.014	-0.014	0.000	0.000	0.000	0.000
148	A	150	GLN	0	-0.012	-0.026	29.102	0.001	0.001	0.000	0.000	0.000	0.000
149	A	151	VAL	0	0.025	0.038	28.994	-0.001	-0.001	0.000	0.000	0.000	0.000
150	A	152	PHE	0	0.019	-0.007	21.788	0.001	0.001	0.000	0.000	0.000	0.000
151	A	153	PRO	0	-0.018	-0.002	25.621	0.004	0.004	0.000	0.000	0.000	0.000
152	A	154	ASP	-1	-0.749	-0.834	21.470	0.011	0.011	0.000	0.000	0.000	0.000
153	A	155	PHE	0	-0.037	0.005	20.242	0.005	0.005	0.000	0.000	0.000	0.000
154	A	156	TYR	0	0.014	-0.017	21.880	0.006	0.006	0.000	0.000	0.000	0.000
155	A	157	GLY	0	0.004	0.007	24.352	0.001	0.001	0.000	0.000	0.000	0.000
156	A	158	ALA	0	0.027	0.009	18.544	-0.003	-0.003	0.000	0.000	0.000	0.000
157	A	159	TYR	0	-0.027	-0.031	20.050	0.004	0.004	0.000	0.000	0.000	0.000
158	A	160	ILE	0	-0.018	-0.014	21.005	0.001	0.001	0.000	0.000	0.000	0.000
159	A	161	HIS	0	-0.020	-0.006	19.753	0.003	0.003	0.000	0.000	0.000	0.000
160	A	162	LEU	0	0.014	0.002	16.272	-0.003	-0.003	0.000	0.000	0.000	0.000
161	A	163	VAL	0	-0.007	0.002	20.108	0.001	0.001	0.000	0.000	0.000	0.000
162	A	164	LYS	1	0.859	0.921	22.674	-0.027	-0.027	0.000	0.000	0.000	0.000
163	A	165	ALA	0	-0.007	0.007	20.580	-0.005	-0.005	0.000	0.000	0.000	0.000
164	A	166	TRP	0	0.018	0.006	19.948	-0.004	-0.004	0.000	0.000	0.000	0.000
165	A	167	GLY	0	0.021	-0.008	21.718	-0.002	-0.002	0.000	0.000	0.000	0.000
166	A	168	LYS	1	0.921	0.957	25.441	-0.009	-0.009	0.000	0.000	0.000	0.000
167	A	169	ALA	0	0.051	0.045	22.022	-0.001	-0.001	0.000	0.000	0.000	0.000
168	A	170	ARG	1	0.800	0.874	20.732	-0.032	-0.032	0.000	0.000	0.000	0.000
169	A	171	GLU	-1	-0.794	-0.857	24.716	0.021	0.021	0.000	0.000	0.000	0.000
170	A	172	VAL	0	-0.024	0.013	26.121	0.001	0.001	0.000	0.000	0.000	0.000
171	A	173	ILE	0	-0.091	-0.048	27.411	0.002	0.002	0.000	0.000	0.000	0.000
172	A	174	ALA	0	0.069	0.031	30.206	-0.005	-0.005	0.000	0.000	0.000	0.000
173	A	175	PRO	0	-0.016	0.001	32.666	0.001	0.001	0.000	0.000	0.000	0.000
174	A	176	GLU	-1	-0.852	-0.913	35.962	0.004	0.004	0.000	0.000	0.000	0.000
175	A	177	ARG	1	0.752	0.852	32.201	-0.006	-0.006	0.000	0.000	0.000	0.000
176	A	178	SER	0	-0.046	-0.033	35.989	0.002	0.002	0.000	0.000	0.000	0.000
177	A	179	THR	0	-0.006	-0.025	31.714	0.003	0.003	0.000	0.000	0.000	0.000
178	A	180	PHE	0	0.021	0.009	30.242	-0.002	-0.002	0.000	0.000	0.000	0.000
179	A	181	ASN	0	0.025	0.029	33.375	-0.003	-0.003	0.000	0.000	0.000	0.000
180	A	182	SER	0	0.093	0.010	29.734	0.002	0.002	0.000	0.000	0.000	0.000
181	A	183	PHE	0	0.026	0.055	31.164	0.004	0.004	0.000	0.000	0.000	0.000
182	A	184	THR	0	-0.002	-0.020	33.174	0.004	0.004	0.000	0.000	0.000	0.000
183	A	185	VAL	0	0.047	0.006	27.102	0.004	0.004	0.000	0.000	0.000	0.000
184	A	186	THR	0	0.000	-0.010	28.566	0.006	0.006	0.000	0.000	0.000	0.000
185	A	187	THR	0	0.002	-0.002	29.596	0.005	0.005	0.000	0.000	0.000	0.000
186	A	188	MET	0	-0.051	-0.020	28.826	0.002	0.002	0.000	0.000	0.000	0.000
187	A	189	ALA	0	0.030	0.026	25.249	0.008	0.008	0.000	0.000	0.000	0.000
188	A	190	LEU	0	0.043	0.021	26.455	0.009	0.009	0.000	0.000	0.000	0.000
189	A	191	MET	0	-0.040	0.033	28.717	0.000	0.000	0.000	0.000	0.000	0.000
190	A	192	VAL	0	-0.013	-0.003	23.907	0.003	0.003	0.000	0.000	0.000	0.000
191	A	193	LEU	0	0.004	0.002	23.104	0.008	0.008	0.000	0.000	0.000	0.000
192	A	194	GLN	0	-0.052	-0.033	26.406	0.003	0.003	0.000	0.000	0.000	0.000
193	A	195	GLU	-1	-0.816	-0.860	28.471	0.096	0.096	0.000	0.000	0.000	0.000
194	A	196	LEU	0	-0.046	-0.012	22.215	0.009	0.009	0.000	0.000	0.000	0.000
195	A	197	GLY	0	-0.013	0.001	26.019	0.004	0.004	0.000	0.000	0.000	0.000
196	A	198	LEU	0	-0.034	-0.023	22.376	-0.004	-0.004	0.000	0.000	0.000	0.000
197	A	199	LEU	0	0.013	0.002	26.723	-0.006	-0.006	0.000	0.000	0.000	0.000
198	A	200	PRO	0	0.021	0.035	29.948	0.004	0.004	0.000	0.000	0.000	0.000
199	A	201	VAL	0	0.011	0.002	33.627	-0.001	-0.001	0.000	0.000	0.000	0.000
200	A	202	PHE	0	0.038	0.019	34.244	-0.002	-0.002	0.000	0.000	0.000	0.000
201	A	203	SER	0	-0.007	-0.017	38.679	-0.003	-0.003	0.000	0.000	0.000	0.000
202	A	204	LYS	1	0.815	0.907	41.123	-0.034	-0.034	0.000	0.000	0.000	0.000
203	A	205	PRO	0	0.038	0.039	43.295	-0.001	-0.001	0.000	0.000	0.000	0.000
204	A	206	THR	0	-0.122	-0.109	45.194	-0.001	-0.001	0.000	0.000	0.000	0.000
205	A	207	GLY	0	0.060	0.049	47.782	-0.001	-0.001	0.000	0.000	0.000	0.000
206	A	208	GLU	-1	-0.874	-0.914	49.420	0.018	0.018	0.000	0.000	0.000	0.000
207	A	209	PHE	0	-0.027	-0.030	50.780	0.000	0.000	0.000	0.000	0.000	0.000
208	A	210	GLY	0	-0.021	-0.005	49.192	0.001	0.001	0.000	0.000	0.000	0.000
209	A	211	GLU	-1	-0.856	-0.903	45.677	0.027	0.027	0.000	0.000	0.000	0.000
210	A	212	LEU	0	-0.040	-0.030	39.089	0.000	0.000	0.000	0.000	0.000	0.000
211	A	213	THR	0	-0.006	-0.023	43.469	-0.001	-0.001	0.000	0.000	0.000	0.000
212	A	214	VAL	0	0.014	-0.010	40.881	0.002	0.002	0.000	0.000	0.000	0.000
213	A	215	ALA	0	0.072	0.044	41.629	0.002	0.002	0.000	0.000	0.000	0.000
214	A	216	ASP	-1	-0.771	-0.844	42.872	0.032	0.032	0.000	0.000	0.000	0.000
215	A	217	ALA	0	-0.018	-0.012	37.778	0.003	0.003	0.000	0.000	0.000	0.000
216	A	218	GLU	-1	-0.897	-0.965	38.365	0.026	0.026	0.000	0.000	0.000	0.000
217	A	219	MET	0	-0.035	-0.022	39.243	0.001	0.001	0.000	0.000	0.000	0.000
218	A	220	LEU	0	-0.049	-0.006	37.159	0.001	0.001	0.000	0.000	0.000	0.000
219	A	221	LEU	0	-0.039	-0.034	33.035	0.004	0.004	0.000	0.000	0.000	0.000
220	A	222	GLN	0	-0.074	-0.029	34.932	0.000	0.000	0.000	0.000	0.000	0.000
221	A	223	GLU	-1	-0.812	-0.904	36.323	0.037	0.037	0.000	0.000	0.000	0.000
222	A	224	PHE	0	-0.007	0.011	29.097	0.002	0.002	0.000	0.000	0.000	0.000
223	A	225	LYS	1	0.803	0.894	31.115	-0.047	-0.047	0.000	0.000	0.000	0.000
224	A	226	LEU	0	0.001	0.020	24.817	0.005	0.005	0.000	0.000	0.000	0.000
225	A	227	PRO	0	0.015	0.002	23.946	-0.003	-0.003	0.000	0.000	0.000	0.000
226	A	228	PRO	0	0.072	0.018	24.860	0.003	0.003	0.000	0.000	0.000	0.000
227	A	229	ILE	0	-0.003	0.016	18.220	-0.006	-0.006	0.000	0.000	0.000	0.000
228	A	230	TYR	0	0.032	0.002	21.023	0.003	0.003	0.000	0.000	0.000	0.000
229	A	231	ASP	-1	-0.846	-0.904	22.780	0.047	0.047	0.000	0.000	0.000	0.000
230	A	232	SER	0	-0.145	-0.076	20.545	-0.005	-0.005	0.000	0.000	0.000	0.000
231	A	233	LEU	0	-0.022	-0.025	17.485	0.001	0.001	0.000	0.000	0.000	0.000
232	A	234	HIS	1	0.785	0.884	19.995	-0.050	-0.050	0.000	0.000	0.000	0.000
233	A	235	ASP	-1	-0.870	-0.921	20.766	0.011	0.011	0.000	0.000	0.000	0.000
234	A	236	ASP	-1	-0.836	-0.911	14.322	0.016	0.016	0.000	0.000	0.000	0.000
235	A	237	ASP	-1	-0.722	-0.847	14.777	0.006	0.006	0.000	0.000	0.000	0.000
236	A	238	GLU	-1	-0.923	-0.965	8.499	-0.165	-0.165	0.000	0.000	0.000	0.000
237	A	239	LYS	1	0.857	0.911	12.017	0.002	0.002	0.000	0.000	0.000	0.000
238	A	240	LEU	0	0.011	0.002	14.227	0.033	0.033	0.000	0.000	0.000	0.000
239	A	241	GLY	0	0.029	0.003	12.716	0.014	0.014	0.000	0.000	0.000	0.000
240	A	242	GLU	-1	-0.852	-0.929	10.212	0.684	0.684	0.000	0.000	0.000	0.000
241	A	243	ALA	0	-0.005	0.012	12.651	0.031	0.031	0.000	0.000	0.000	0.000
242	A	244	VAL	0	0.011	-0.001	15.840	0.005	0.005	0.000	0.000	0.000	0.000
243	A	245	PHE	0	0.012	0.006	10.803	-0.005	-0.005	0.000	0.000	0.000	0.000
244	A	246	PHE	0	0.025	0.006	14.094	0.010	0.010	0.000	0.000	0.000	0.000
245	A	247	CYS	0	-0.025	-0.014	15.902	-0.018	-0.018	0.000	0.000	0.000	0.000
246	A	248	LEU	0	-0.007	-0.006	15.724	-0.014	-0.014	0.000	0.000	0.000	0.000
247	A	249	GLN	0	-0.033	-0.016	12.536	-0.082	-0.082	0.000	0.000	0.000	0.000
248	A	250	ARG	1	0.830	0.906	16.531	-0.352	-0.352	0.000	0.000	0.000	0.000
249	A	251	PHE	0	-0.003	0.004	20.622	-0.021	-0.021	0.000	0.000	0.000	0.000
250	A	252	ALA	0	0.026	0.005	19.348	-0.015	-0.015	0.000	0.000	0.000	0.000
251	A	253	GLU	-1	-0.782	-0.877	20.140	0.259	0.259	0.000	0.000	0.000	0.000
252	A	254	TYR	0	-0.046	-0.040	22.018	-0.013	-0.013	0.000	0.000	0.000	0.000
253	A	255	TYR	0	-0.014	-0.034	25.299	-0.012	-0.012	0.000	0.000	0.000	0.000
254	A	256	ALA	0	-0.025	0.004	23.608	-0.011	-0.011	0.000	0.000	0.000	0.000
255	A	257	LYS	1	0.809	0.891	22.453	-0.203	-0.203	0.000	0.000	0.000	0.000
256	A	258	TYR	0	-0.055	-0.028	27.735	-0.006	-0.006	0.000	0.000	0.000	0.000
257	A	259	ASP	-1	-0.767	-0.854	30.487	0.064	0.064	0.000	0.000	0.000	0.000
258	A	260	PHE	0	0.028	0.004	30.974	-0.004	-0.004	0.000	0.000	0.000	0.000
259	A	261	SER	0	-0.084	-0.052	35.763	-0.006	-0.006	0.000	0.000	0.000	0.000
260	A	262	ALA	0	0.002	-0.008	38.504	-0.004	-0.004	0.000	0.000	0.000	0.000
261	A	263	GLY	0	0.000	0.005	36.849	-0.003	-0.003	0.000	0.000	0.000	0.000
262	A	264	THR	0	-0.081	-0.053	37.411	-0.003	-0.003	0.000	0.000	0.000	0.000
263	A	265	VAL	0	0.036	0.015	32.690	0.004	0.004	0.000	0.000	0.000	0.000
264	A	266	SER	0	-0.004	-0.049	35.304	-0.004	-0.004	0.000	0.000	0.000	0.000
265	A	267	LEU	0	0.038	0.031	32.287	0.003	0.003	0.000	0.000	0.000	0.000
266	A	268	ILE	0	-0.006	0.017	35.683	0.001	0.001	0.000	0.000	0.000	0.000
267	A	269	HIS	0	-0.073	-0.065	38.307	-0.002	-0.002	0.000	0.000	0.000	0.000
268	A	270	PRO	0	0.088	0.026	33.148	-0.001	-0.001	0.000	0.000	0.000	0.000
269	A	271	ARG	1	0.833	0.893	32.396	-0.090	-0.090	0.000	0.000	0.000	0.000
270	A	272	ARG	1	0.835	0.932	36.200	-0.047	-0.047	0.000	0.000	0.000	0.000
271	A	273	HIS	0	0.095	0.075	39.669	-0.001	-0.001	0.000	0.000	0.000	0.000
272	A	274	ARG	1	0.806	0.881	38.754	-0.052	-0.052	0.000	0.000	0.000	0.000
273	A	275	THR	0	-0.020	-0.031	43.216	-0.003	-0.003	0.000	0.000	0.000	0.000
274	A	276	VAL	0	-0.026	-0.012	44.216	-0.002	-0.002	0.000	0.000	0.000	0.000
275	A	277	TYR	0	-0.016	-0.031	42.783	-0.001	-0.001	0.000	0.000	0.000	0.000
276	A	278	GLU	-1	-0.759	-0.837	44.909	0.029	0.029	0.000	0.000	0.000	0.000
277	A	279	ARG	1	0.912	0.959	47.805	-0.038	-0.038	0.000	0.000	0.000	0.000
278	A	280	VAL	0	-0.077	-0.036	45.892	-0.001	-0.001	0.000	0.000	0.000	0.000
279	A	281	VAL	0	0.025	0.018	46.502	-0.002	-0.002	0.000	0.000	0.000	0.000
280	A	282	ARG	1	0.840	0.908	49.133	-0.029	-0.029	0.000	0.000	0.000	0.000
281	A	283	ARG	1	1.013	1.010	49.002	-0.032	-0.032	0.000	0.000	0.000	0.000
282	A	284	HIS	0	-0.030	-0.018	49.340	-0.002	-0.002	0.000	0.000	0.000	0.000
283	A	285	LEU	0	0.013	-0.005	51.406	-0.001	-0.001	0.000	0.000	0.000	0.000
284	A	286	GLU	-1	-0.911	-0.953	53.809	0.023	0.023	0.000	0.000	0.000	0.000
285	A	287	LEU	0	-0.012	0.013	53.639	-0.001	-0.001	0.000	0.000	0.000	0.000
286	A	288	LEU	0	-0.019	0.001	51.755	-0.001	-0.001	0.000	0.000	0.000	0.000
287	A	289	GLY	0	0.034	-0.008	55.310	-0.001	-0.001	0.000	0.000	0.000	0.000
288	A	290	SER	0	-0.051	-0.036	58.312	-0.001	-0.001	0.000	0.000	0.000	0.000
289	A	291	ARG	1	0.742	0.852	57.218	-0.017	-0.017	0.000	0.000	0.000	0.000
290	A	292	LYS	1	0.858	0.922	54.764	-0.017	-0.017	0.000	0.000	0.000	0.000
291	A	293	ARG	1	0.837	0.897	59.432	-0.014	-0.014	0.000	0.000	0.000	0.000
292	A	294	LEU	0	-0.010	0.001	62.185	-0.001	-0.001	0.000	0.000	0.000	0.000
293	A	295	GLU	-1	-0.786	-0.891	59.847	0.012	0.012	0.000	0.000	0.000	0.000
294	A	296	TRP	0	-0.031	-0.028	59.617	-0.001	-0.001	0.000	0.000	0.000	0.000
295	A	297	GLU	-1	-0.814	-0.930	64.222	0.011	0.011	0.000	0.000	0.000	0.000
296	A	298	LYS	1	0.790	0.908	64.135	-0.012	-0.012	0.000	0.000	0.000	0.000
297	A	299	HIS	0	-0.063	-0.043	64.510	0.000	0.000	0.000	0.000	0.000	0.000
298	A	300	ILE	0	0.024	0.005	66.630	-0.001	-0.001	0.000	0.000	0.000	0.000
299	A	301	ALA	0	-0.067	-0.028	69.627	0.000	0.000	0.000	0.000	0.000	0.000
300	A	302	GLU	-1	-0.970	-0.994	68.634	0.007	0.007	0.000	0.000	0.000	0.000
301	A	303	HIS	1	0.766	0.875	67.998	-0.007	-0.007	0.000	0.000	0.000	0.000
302	A	304	LYS	1	0.998	1.013	71.107	-0.007	-0.007	0.000	0.000	0.000	0.000
303	A	305	GLU	-1	-0.828	-0.898	71.654	0.006	0.006	0.000	0.000	0.000	0.000
304	A	306	ASP	-1	-0.863	-0.909	67.961	0.007	0.007	0.000	0.000	0.000	0.000
305	A	307	GLY	0	-0.021	0.008	69.307	0.000	0.000	0.000	0.000	0.000	0.000
306	A	308	PRO	0	-0.030	-0.028	71.743	0.000	0.000	0.000	0.000	0.000	0.000
307	A	309	LEU	0	-0.007	-0.001	65.430	0.000	0.000	0.000	0.000	0.000	0.000
308	A	310	ASP	-1	-0.800	-0.879	66.993	0.010	0.010	0.000	0.000	0.000	0.000
309	A	311	GLU	-1	-0.777	-0.882	66.102	0.013	0.013	0.000	0.000	0.000	0.000
310	A	312	ASN	0	-0.077	-0.043	65.134	0.001	0.001	0.000	0.000	0.000	0.000
311	A	313	ASP	-1	-0.762	-0.860	62.215	0.011	0.011	0.000	0.000	0.000	0.000
312	A	314	PHE	0	0.016	0.005	61.306	0.001	0.001	0.000	0.000	0.000	0.000
313	A	315	SER	0	-0.034	-0.010	60.510	0.001	0.001	0.000	0.000	0.000	0.000
314	A	316	ALA	0	0.013	0.003	59.151	0.001	0.001	0.000	0.000	0.000	0.000
315	A	317	SER	0	-0.002	0.001	56.985	0.001	0.001	0.000	0.000	0.000	0.000
316	A	318	MET	0	0.026	0.019	55.658	0.001	0.001	0.000	0.000	0.000	0.000
317	A	319	GLN	0	0.030	0.031	54.373	0.001	0.001	0.000	0.000	0.000	0.000
318	A	320	ASN	0	-0.025	-0.010	51.441	0.002	0.002	0.000	0.000	0.000	0.000
319	A	321	GLU	-1	-0.772	-0.875	51.264	0.020	0.020	0.000	0.000	0.000	0.000
320	A	322	THR	0	0.017	0.002	50.404	0.002	0.002	0.000	0.000	0.000	0.000
321	A	323	THR	0	-0.104	-0.059	49.780	0.001	0.001	0.000	0.000	0.000	0.000
322	A	324	GLN	0	-0.009	-0.005	46.814	0.002	0.002	0.000	0.000	0.000	0.000
323	A	325	ARG	1	0.797	0.878	45.473	-0.023	-0.023	0.000	0.000	0.000	0.000
324	A	326	PRO	0	0.004	0.021	44.450	0.001	0.001	0.000	0.000	0.000	0.000
325	A	327	SER	0	0.012	-0.028	44.126	0.002	0.002	0.000	0.000	0.000	0.000
326	A	328	ASN	0	-0.002	-0.005	43.705	0.003	0.003	0.000	0.000	0.000	0.000
327	A	329	SER	0	0.018	0.020	41.065	-0.001	-0.001	0.000	0.000	0.000	0.000
328	A	330	PRO	0	-0.004	-0.008	38.372	0.002	0.002	0.000	0.000	0.000	0.000
329	A	331	TYR	0	0.014	-0.001	31.699	0.001	0.001	0.000	0.000	0.000	0.000
330	A	332	VAL	0	0.001	-0.005	37.218	-0.004	-0.004	0.000	0.000	0.000	0.000
331	A	333	VAL	0	-0.031	-0.017	34.312	0.004	0.004	0.000	0.000	0.000	0.000
332	A	334	GLU	-1	-0.735	-0.825	37.249	0.041	0.041	0.000	0.000	0.000	0.000
333	A	335	ASP	-1	-0.796	-0.886	38.449	0.032	0.032	0.000	0.000	0.000	0.000
334	A	336	PHE	0	0.036	0.007	35.780	-0.001	-0.001	0.000	0.000	0.000	0.000
335	A	337	VAL	0	0.009	0.018	40.878	-0.001	-0.001	0.000	0.000	0.000	0.000
336	A	338	ASN	0	-0.033	-0.036	43.628	-0.001	-0.001	0.000	0.000	0.000	0.000
337	A	339	TYR	0	-0.022	-0.028	43.633	0.000	0.000	0.000	0.000	0.000	0.000
338	A	340	VAL	0	-0.008	0.020	42.867	0.001	0.001	0.000	0.000	0.000	0.000
339	A	341	ASN	0	0.001	0.007	40.099	0.003	0.003	0.000	0.000	0.000	0.000
340	A	342	CYS	0	-0.043	-0.022	37.360	-0.002	-0.002	0.000	0.000	0.000	0.000
341	A	343	GLY	0	0.046	0.018	37.138	-0.002	-0.002	0.000	0.000	0.000	0.000
342	A	344	ARG	1	0.816	0.912	37.823	-0.026	-0.026	0.000	0.000	0.000	0.000
343	A	345	ARG	1	0.944	0.968	40.053	-0.023	-0.023	0.000	0.000	0.000	0.000
344	A	346	VAL	0	-0.032	0.016	35.025	-0.002	-0.002	0.000	0.000	0.000	0.000
345	A	347	GLN	0	0.044	0.030	38.095	0.001	0.001	0.000	0.000	0.000	0.000
346	A	348	ALA	0	0.045	0.006	37.911	0.002	0.002	0.000	0.000	0.000	0.000
347	A	349	SER	0	-0.029	-0.014	37.633	0.003	0.003	0.000	0.000	0.000	0.000
348	A	350	ARG	1	0.968	0.991	33.310	-0.024	-0.024	0.000	0.000	0.000	0.000
349	A	351	VAL	0	0.031	0.029	32.935	0.003	0.003	0.000	0.000	0.000	0.000
350	A	352	ARG	1	0.967	0.983	28.903	-0.045	-0.045	0.000	0.000	0.000	0.000
351	A	353	HIS	0	-0.049	-0.025	27.616	0.006	0.006	0.000	0.000	0.000	0.000
352	A	354	ILE	0	0.036	0.013	28.088	0.005	0.005	0.000	0.000	0.000	0.000
353	A	355	GLN	0	0.037	0.025	27.327	0.002	0.002	0.000	0.000	0.000	0.000
354	A	356	GLN	0	0.014	0.021	23.979	0.010	0.010	0.000	0.000	0.000	0.000
355	A	357	GLU	-1	-0.746	-0.859	22.426	0.072	0.072	0.000	0.000	0.000	0.000
356	A	358	PHE	0	0.002	0.003	22.408	0.009	0.009	0.000	0.000	0.000	0.000
357	A	359	ASN	0	-0.031	-0.027	21.980	0.025	0.025	0.000	0.000	0.000	0.000
358	A	360	ARG	1	0.817	0.914	17.792	-0.041	-0.041	0.000	0.000	0.000	0.000
359	A	361	LEU	0	0.003	0.010	17.438	0.025	0.025	0.000	0.000	0.000	0.000
360	A	362	ARG	1	0.759	0.831	17.198	-0.245	-0.245	0.000	0.000	0.000	0.000
361	A	363	GLU	-1	-0.862	-0.917	16.444	0.280	0.280	0.000	0.000	0.000	0.000
362	A	364	MET	0	-0.018	-0.027	13.906	0.052	0.052	0.000	0.000	0.000	0.000
363	A	365	LEU	0	-0.009	0.000	12.440	0.074	0.074	0.000	0.000	0.000	0.000
364	A	366	ILE	0	-0.047	-0.009	12.600	0.100	0.100	0.000	0.000	0.000	0.000
365	A	367	ASP	-1	-0.788	-0.855	12.525	0.446	0.446	0.000	0.000	0.000	0.000
366	A	368	LYS	1	0.808	0.906	11.043	-0.248	-0.248	0.000	0.000	0.000	0.000
367	A	369	GLU	-1	-0.825	-0.912	7.700	1.340	1.340	0.000	0.000	0.000	0.000
368	A	370	SER	0	-0.034	-0.038	5.277	0.626	0.626	0.000	0.000	0.000	0.000
369	A	371	GLU	-1	-0.966	-0.986	5.142	0.118	0.176	-0.001	-0.002	-0.054	0.000
370	A	372	LEU	0	-0.030	0.007	7.329	-0.388	-0.388	0.000	0.000	0.000	0.000
371	A	373	LYS	1	0.919	0.941	6.890	-0.264	-0.264	0.000	0.000	0.000	0.000
372	A	374	PHE	0	0.034	0.016	9.361	0.080	0.080	0.000	0.000	0.000	0.000
373	A	375	ASP	-1	-0.868	-0.947	11.899	-0.180	-0.180	0.000	0.000	0.000	0.000
374	A	376	GLU	-1	-0.830	-0.873	12.895	-0.034	-0.034	0.000	0.000	0.000	0.000
375	A	377	VAL	0	-0.046	-0.021	12.896	0.027	0.027	0.000	0.000	0.000	0.000
376	A	378	PHE	0	-0.032	-0.038	14.413	0.019	0.019	0.000	0.000	0.000	0.000
377	A	379	ARG	1	0.821	0.907	16.927	0.043	0.043	0.000	0.000	0.000	0.000
378	A	380	GLU	-1	-0.914	-0.951	18.827	-0.011	-0.011	0.000	0.000	0.000	0.000
379	A	381	SER	0	-0.080	-0.061	22.524	0.000	0.000	0.000	0.000	0.000	0.000
380	A	382	ASP	-1	-0.943	-0.952	24.870	-0.016	-0.016	0.000	0.000	0.000	0.000
381	A	383	THR	0	-0.085	-0.056	26.836	-0.002	-0.002	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(A:3:VAL)