FMO DATABASE

FMODB ID: JLN99

Calculation Name: 6XKI-A-MD433-76ns

Preferred Name:

Target Type:

Ligand Name: (3s,6z,8e,11s,15r)-15-amino-3-[(1e,3e,5e)-7-(dimethylamino)-2,5-dimethylhepta-1,3,5-trien-1-yl]-9,11-dimethyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]henicosa-1(21),6,8,18-tetraene-5,13-dione

ligand 3-letter code: V6D

PDB ID: 6XKI

Chain ID: A

ChEMBL ID:

UniProt ID:

Base Structure: MD

Registration Date: 2023-09-19

Reference: Hironori Saito, Yuma Handa, Mingming Chen, Tilman Schneider-Poetsch, Yuichi Shichino, Mari Takahashi, Daniel Romo, Minoru Yoshida, Alois F�rstner, Takuhiro Ito, Kaori Fukuzawa, Shintaro Iwasaki Pateamine A mediates RNA sequence-selective translation repression by anchoring eIF4A and DDX3 to GNG motifs, To be published.

DOI:

IFIE MAP

IFIE Diagram

Modeling method

Optimization	AMBER14SB
Restraint	OptAll(Heavy atoms were optimized with constraints.)
Protonation	BaseStructure_original
Complement	MOE:Structure Preparation
Water	No
Procedure	Manual calculation

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Manual
Number of fragment	400
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-7628849.576797
FMO2-HF: Nuclear repulsion	7459644.981055
FMO2-HF: Total energy	-169204.595742
FMO2-MP2: Total energy	-169682.378277

3D Structure

Snapshot

Ligand structure

V6D

Ligand Interaction

Ligand binding energy (frag 399-400 : frag 1-398)

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.
-306.018767	-253.928177	48.100875	-21.654204	-78.537261	0.107370

Interactive mode: IFIE and PIEDA for fragment #399(:389:V6D)

Summations of interaction energy for fragment #399(:389:V6D)

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.
-50.266	-14.982	31.627	-14.86	-52.047	-0.061

Interaction energy analysis for fragmet #399(:389:V6D)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : -0.084 / q_NPA : -0.026

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.	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].
131	131	PRO	0	0.022	-0.001	3.392	-0.638	0.133	0.072	-0.164	-0.679	0.000
132	132	GLY	0	0.043	0.028	2.521	-1.853	0.648	3.135	-2.527	-3.109	0.001
133	133	ARG	1	0.824	0.872	2.476	-2.075	-1.738	1.294	0.858	-2.489	-0.022
134	134	VAL	0	0.018	0.013	5.088	-0.349	-0.193	-0.001	-0.011	-0.144	0.000
135	135	PHE	0	0.029	0.004	2.420	-10.265	-3.355	8.996	-3.527	-12.378	0.002
136	136	ASP	-1	-0.769	-0.850	2.456	-7.831	-4.016	1.266	-2.069	-3.011	-0.008
137	137	MET	0	-0.035	-0.023	3.180	0.992	0.833	0.056	0.501	-0.398	0.000
139	139	ASN	0	-0.054	-0.010	2.585	-0.352	0.811	1.038	-0.540	-1.661	-0.002
140	140	ARG	1	0.761	0.843	4.701	1.357	1.530	-0.001	-0.012	-0.160	0.000
167	167	GLN	0	0.012	0.005	2.899	-5.598	-2.177	2.726	-1.623	-4.524	-0.003
168	168	ILE	0	0.043	0.011	3.602	-2.205	-1.359	0.168	0.027	-1.041	-0.005
169	169	TYR	0	-0.018	-0.007	6.325	-0.206	-0.183	-0.001	-0.003	-0.019	0.000
170	170	ASP	-1	-0.880	-0.931	2.532	-3.947	-1.393	0.991	-1.297	-2.248	-0.008
171	171	ILE	0	-0.042	-0.022	3.016	-1.146	0.267	0.585	-0.338	-1.660	-0.001
172	172	PHE	0	0.001	-0.009	4.850	0.359	0.375	-0.001	-0.008	-0.007	0.000
391	385	A	-1	-0.444	-0.565	2.695	-2.916	-1.420	0.152	-0.569	-1.078	-0.003
392	385	A	0	-0.299	-0.279	3.782	-1.506	-0.922	0.014	-0.173	-0.425	-0.001
393	386	G	-1	-0.548	-0.640	2.619	-1.674	-0.589	0.885	-0.488	-1.482	0.005
394	386	G	0	-0.360	-0.303	2.673	-7.840	0.339	10.253	-2.897	-15.534	-0.016
1	1	GLU	0	-0.134	-0.080	33.518	0.001	0.001	0.000	0.000	0.000	0.000
2	2	ILE	0	0.071	0.025	34.172	-0.002	-0.002	0.000	0.000	0.000	0.000
3	3	VAL	0	-0.005	0.003	34.667	0.003	0.003	0.000	0.000	0.000	0.000
4	4	ASP	-1	-0.899	-0.950	36.346	-0.036	-0.036	0.000	0.000	0.000	0.000
5	5	SER	0	-0.004	-0.005	37.924	-0.003	-0.003	0.000	0.000	0.000	0.000
6	6	PHE	0	0.017	-0.015	32.787	0.001	0.001	0.000	0.000	0.000	0.000
7	7	ASP	-1	-0.895	-0.941	36.454	-0.036	-0.036	0.000	0.000	0.000	0.000
8	8	ASP	-1	-0.920	-0.958	38.532	-0.024	-0.024	0.000	0.000	0.000	0.000
9	9	MET	0	-0.140	-0.073	32.522	0.000	0.000	0.000	0.000	0.000	0.000
10	10	ASN	0	-0.071	-0.026	33.845	-0.001	-0.001	0.000	0.000	0.000	0.000
11	11	LEU	0	-0.009	0.000	31.241	0.000	0.000	0.000	0.000	0.000	0.000
12	12	SER	0	0.032	0.024	32.642	0.001	0.001	0.000	0.000	0.000	0.000
13	13	GLU	-1	-0.816	-0.899	34.593	-0.047	-0.047	0.000	0.000	0.000	0.000
14	14	SER	0	-0.061	-0.060	34.323	-0.003	-0.003	0.000	0.000	0.000	0.000
15	15	LEU	0	0.016	0.017	28.614	-0.005	-0.005	0.000	0.000	0.000	0.000
16	16	LEU	0	-0.022	-0.005	32.287	-0.005	-0.005	0.000	0.000	0.000	0.000
17	17	ARG	1	0.929	0.947	35.000	0.047	0.047	0.000	0.000	0.000	0.000
18	18	GLY	0	0.065	0.043	32.175	-0.002	-0.002	0.000	0.000	0.000	0.000
19	19	ILE	0	-0.030	-0.025	31.092	-0.006	-0.006	0.000	0.000	0.000	0.000
20	20	TYR	0	-0.013	-0.011	32.888	-0.001	-0.001	0.000	0.000	0.000	0.000
21	21	ALA	0	-0.011	-0.001	34.929	-0.001	-0.001	0.000	0.000	0.000	0.000
22	22	TYR	0	-0.043	-0.014	27.513	-0.008	-0.008	0.000	0.000	0.000	0.000
23	23	GLY	0	0.006	0.012	32.130	-0.004	-0.004	0.000	0.000	0.000	0.000
24	24	PHE	0	-0.092	-0.045	29.227	-0.002	-0.002	0.000	0.000	0.000	0.000
25	25	GLU	-1	-0.886	-0.951	32.883	-0.059	-0.059	0.000	0.000	0.000	0.000
26	26	LYS	1	0.940	0.953	34.587	0.042	0.042	0.000	0.000	0.000	0.000
27	27	PRO	0	0.025	0.029	32.456	-0.002	-0.002	0.000	0.000	0.000	0.000
28	28	SER	0	0.056	0.035	31.904	0.005	0.005	0.000	0.000	0.000	0.000
29	29	ALA	0	0.048	0.009	33.103	0.001	0.001	0.000	0.000	0.000	0.000
30	30	ILE	0	-0.007	0.003	27.425	0.004	0.004	0.000	0.000	0.000	0.000
31	31	GLN	0	0.012	-0.013	26.887	0.009	0.009	0.000	0.000	0.000	0.000
32	32	GLN	0	-0.046	-0.027	30.110	0.006	0.006	0.000	0.000	0.000	0.000
33	33	ARG	1	0.934	0.970	31.345	0.038	0.038	0.000	0.000	0.000	0.000
34	34	ALA	0	-0.011	-0.004	26.350	0.004	0.004	0.000	0.000	0.000	0.000
35	35	ILE	0	0.036	0.018	27.527	0.003	0.003	0.000	0.000	0.000	0.000
36	36	LEU	0	0.026	0.028	28.466	0.002	0.002	0.000	0.000	0.000	0.000
37	37	PRO	0	-0.009	-0.017	28.444	0.003	0.003	0.000	0.000	0.000	0.000
38	38	CYS	0	-0.027	-0.002	23.088	0.001	0.001	0.000	0.000	0.000	0.000
39	39	ILE	0	0.040	0.018	25.171	0.001	0.001	0.000	0.000	0.000	0.000
40	40	LYS	1	0.876	0.934	27.608	0.019	0.019	0.000	0.000	0.000	0.000
41	41	GLY	0	0.065	0.052	24.477	0.007	0.007	0.000	0.000	0.000	0.000
42	42	TYR	0	-0.041	-0.014	23.891	0.006	0.006	0.000	0.000	0.000	0.000
43	43	ASP	-1	-0.722	-0.835	19.915	0.006	0.006	0.000	0.000	0.000	0.000
44	44	VAL	0	-0.030	-0.019	21.382	0.002	0.002	0.000	0.000	0.000	0.000
45	45	ILE	0	-0.003	-0.001	20.339	-0.009	-0.009	0.000	0.000	0.000	0.000
46	46	ALA	0	0.016	-0.006	22.217	0.007	0.007	0.000	0.000	0.000	0.000
47	47	GLN	0	0.007	0.020	23.003	-0.004	-0.004	0.000	0.000	0.000	0.000
48	48	ALA	0	-0.015	-0.018	23.815	0.002	0.002	0.000	0.000	0.000	0.000
49	49	GLN	0	0.042	0.013	24.483	-0.011	-0.011	0.000	0.000	0.000	0.000
50	50	SER	0	0.043	0.022	25.796	-0.008	-0.008	0.000	0.000	0.000	0.000
51	51	GLY	0	-0.010	-0.004	26.736	0.008	0.008	0.000	0.000	0.000	0.000
52	52	THR	0	-0.054	-0.035	27.902	0.004	0.004	0.000	0.000	0.000	0.000
53	53	GLY	0	0.062	0.041	27.025	0.005	0.005	0.000	0.000	0.000	0.000
54	54	LYS	1	0.787	0.880	19.546	0.190	0.190	0.000	0.000	0.000	0.000
55	55	THR	0	0.051	0.015	20.632	0.001	0.001	0.000	0.000	0.000	0.000
56	56	ALA	0	0.050	0.021	22.438	0.003	0.003	0.000	0.000	0.000	0.000
57	57	THR	0	-0.017	-0.008	24.222	0.011	0.011	0.000	0.000	0.000	0.000
58	58	PHE	0	0.054	0.023	18.542	0.011	0.011	0.000	0.000	0.000	0.000
59	59	ALA	0	-0.002	0.011	22.327	0.006	0.006	0.000	0.000	0.000	0.000
60	60	ILE	0	0.032	0.015	23.232	0.007	0.007	0.000	0.000	0.000	0.000
61	61	SER	0	-0.014	-0.030	23.621	0.009	0.009	0.000	0.000	0.000	0.000
62	62	ILE	0	-0.008	0.003	18.944	0.008	0.008	0.000	0.000	0.000	0.000
63	63	LEU	0	-0.008	-0.013	22.884	0.008	0.008	0.000	0.000	0.000	0.000
64	64	GLN	0	0.012	0.013	25.701	0.001	0.001	0.000	0.000	0.000	0.000
65	65	GLN	0	-0.088	-0.056	23.239	0.015	0.015	0.000	0.000	0.000	0.000
66	66	ILE	0	-0.084	-0.028	21.370	0.004	0.004	0.000	0.000	0.000	0.000
67	67	GLU	-1	-0.913	-0.951	25.209	-0.016	-0.016	0.000	0.000	0.000	0.000
68	68	LEU	0	0.035	0.003	26.492	-0.004	-0.004	0.000	0.000	0.000	0.000
69	69	ASP	-1	-0.898	-0.936	27.913	-0.037	-0.037	0.000	0.000	0.000	0.000
70	70	LEU	0	-0.116	-0.050	22.545	0.001	0.001	0.000	0.000	0.000	0.000
71	71	LYS	1	0.959	0.976	23.409	0.058	0.058	0.000	0.000	0.000	0.000
72	72	ALA	0	0.034	0.007	18.782	-0.002	-0.002	0.000	0.000	0.000	0.000
73	73	THR	0	-0.042	-0.023	15.157	-0.001	-0.001	0.000	0.000	0.000	0.000
74	74	GLN	0	-0.036	-0.027	17.439	0.024	0.024	0.000	0.000	0.000	0.000
75	75	ALA	0	-0.006	-0.001	17.361	0.016	0.016	0.000	0.000	0.000	0.000
76	76	LEU	0	-0.011	-0.003	9.722	-0.018	-0.018	0.000	0.000	0.000	0.000
77	77	VAL	0	0.005	0.003	13.685	0.013	0.013	0.000	0.000	0.000	0.000
78	78	LEU	0	-0.020	-0.011	7.325	-0.026	-0.026	0.000	0.000	0.000	0.000
79	79	ALA	0	0.027	-0.002	10.358	0.045	0.045	0.000	0.000	0.000	0.000
80	80	PRO	0	0.039	0.014	9.027	-0.100	-0.100	0.000	0.000	0.000	0.000
81	81	THR	0	-0.003	-0.008	9.110	-0.178	-0.178	0.000	0.000	0.000	0.000
82	82	ARG	1	0.862	0.907	8.090	1.237	1.237	0.000	0.000	0.000	0.000
83	83	GLU	-1	-0.732	-0.850	12.001	-0.442	-0.442	0.000	0.000	0.000	0.000
84	84	LEU	0	-0.002	0.005	14.493	0.046	0.046	0.000	0.000	0.000	0.000
85	85	ALA	0	0.015	0.004	12.508	0.043	0.043	0.000	0.000	0.000	0.000
86	86	GLN	0	0.021	0.002	14.682	0.031	0.031	0.000	0.000	0.000	0.000
87	87	GLN	0	-0.032	-0.017	17.588	0.035	0.035	0.000	0.000	0.000	0.000
88	88	ILE	0	0.019	0.015	15.842	0.026	0.026	0.000	0.000	0.000	0.000
89	89	GLN	0	0.009	0.005	18.300	0.023	0.023	0.000	0.000	0.000	0.000
90	90	LYS	1	0.938	0.966	19.992	0.223	0.223	0.000	0.000	0.000	0.000
91	91	VAL	0	-0.013	0.013	22.808	0.014	0.014	0.000	0.000	0.000	0.000
92	92	VAL	0	0.005	-0.011	20.253	0.013	0.013	0.000	0.000	0.000	0.000
93	93	MET	0	-0.026	-0.016	22.769	0.011	0.011	0.000	0.000	0.000	0.000
94	94	ALA	0	-0.006	0.015	25.282	0.009	0.009	0.000	0.000	0.000	0.000
95	95	LEU	0	-0.046	-0.016	25.938	0.009	0.009	0.000	0.000	0.000	0.000
96	96	GLY	0	0.019	-0.014	27.048	0.009	0.009	0.000	0.000	0.000	0.000
97	97	ASP	-1	-0.936	-0.952	28.039	-0.092	-0.092	0.000	0.000	0.000	0.000
98	98	TYR	0	-0.033	-0.022	30.381	0.004	0.004	0.000	0.000	0.000	0.000
99	99	MET	0	-0.042	-0.017	29.298	0.002	0.002	0.000	0.000	0.000	0.000
100	100	GLY	0	0.008	0.019	30.136	0.004	0.004	0.000	0.000	0.000	0.000
101	101	ALA	0	-0.055	-0.016	25.140	0.000	0.000	0.000	0.000	0.000	0.000
102	102	SER	0	-0.045	-0.047	22.995	-0.009	-0.009	0.000	0.000	0.000	0.000
103	103	CYS	0	-0.089	-0.059	19.035	-0.006	-0.006	0.000	0.000	0.000	0.000
104	104	HIS	0	-0.037	-0.031	14.123	0.027	0.027	0.000	0.000	0.000	0.000
105	105	ALA	0	0.011	0.010	14.601	0.003	0.003	0.000	0.000	0.000	0.000
106	106	CYS	0	-0.052	-0.014	9.723	0.006	0.006	0.000	0.000	0.000	0.000
107	107	ILE	0	0.011	0.005	9.601	-0.035	-0.035	0.000	0.000	0.000	0.000
108	108	GLY	0	0.037	0.026	8.352	0.047	0.047	0.000	0.000	0.000	0.000
109	109	GLY	0	-0.005	-0.013	8.853	0.046	0.046	0.000	0.000	0.000	0.000
110	110	THR	0	-0.021	-0.010	11.853	0.095	0.095	0.000	0.000	0.000	0.000
111	111	ASN	0	0.010	-0.006	11.949	-0.029	-0.029	0.000	0.000	0.000	0.000
112	112	VAL	0	0.086	0.042	7.692	0.024	0.024	0.000	0.000	0.000	0.000
113	113	ARG	1	0.817	0.892	11.177	0.346	0.346	0.000	0.000	0.000	0.000
114	114	ALA	0	0.045	0.014	13.510	0.022	0.022	0.000	0.000	0.000	0.000
115	115	GLU	-1	-0.780	-0.870	10.652	-0.473	-0.473	0.000	0.000	0.000	0.000
116	116	VAL	0	-0.006	-0.015	9.820	0.030	0.030	0.000	0.000	0.000	0.000
117	117	GLN	0	-0.043	-0.002	12.729	0.036	0.036	0.000	0.000	0.000	0.000
118	118	LYS	1	0.966	0.976	16.496	0.220	0.220	0.000	0.000	0.000	0.000
119	119	LEU	0	0.024	0.006	11.499	0.020	0.020	0.000	0.000	0.000	0.000
120	120	GLN	0	-0.021	-0.004	15.516	0.021	0.021	0.000	0.000	0.000	0.000
121	121	MET	0	-0.113	-0.058	16.746	0.021	0.021	0.000	0.000	0.000	0.000
122	122	GLU	-1	-0.891	-0.911	19.629	-0.118	-0.118	0.000	0.000	0.000	0.000
123	123	ALA	0	-0.021	0.003	17.871	0.013	0.013	0.000	0.000	0.000	0.000
124	124	PRO	0	0.002	0.008	17.264	0.014	0.014	0.000	0.000	0.000	0.000
125	125	HIS	0	0.059	0.031	18.810	-0.014	-0.014	0.000	0.000	0.000	0.000
126	126	ILE	0	-0.004	0.000	18.373	0.008	0.008	0.000	0.000	0.000	0.000
127	127	ILE	0	0.010	0.006	12.468	-0.016	-0.016	0.000	0.000	0.000	0.000
128	128	VAL	0	0.000	0.009	13.558	0.013	0.013	0.000	0.000	0.000	0.000
129	129	GLY	0	0.033	-0.002	10.250	-0.014	-0.014	0.000	0.000	0.000	0.000
130	130	THR	0	-0.026	-0.022	6.799	0.116	0.116	0.000	0.000	0.000	0.000
138	138	LEU	0	-0.022	-0.003	5.944	0.168	0.168	0.000	0.000	0.000	0.000
141	141	ARG	1	0.920	0.960	7.010	-0.011	-0.011	0.000	0.000	0.000	0.000
142	142	TYR	0	0.006	0.004	9.235	0.049	0.049	0.000	0.000	0.000	0.000
143	143	LEU	0	0.025	0.041	9.065	0.036	0.036	0.000	0.000	0.000	0.000
144	144	SER	0	0.021	-0.011	10.451	0.072	0.072	0.000	0.000	0.000	0.000
145	145	PRO	0	0.049	0.025	12.178	-0.035	-0.035	0.000	0.000	0.000	0.000
146	146	LYS	1	0.860	0.926	15.164	-0.103	-0.103	0.000	0.000	0.000	0.000
147	147	TYR	0	-0.015	-0.005	16.298	-0.007	-0.007	0.000	0.000	0.000	0.000
148	148	ILE	0	0.003	0.017	12.860	-0.009	-0.009	0.000	0.000	0.000	0.000
149	149	LYS	1	0.930	0.967	16.662	0.020	0.020	0.000	0.000	0.000	0.000
150	150	MET	0	-0.004	0.019	17.409	0.004	0.004	0.000	0.000	0.000	0.000
151	151	PHE	0	0.013	0.000	9.138	-0.014	-0.014	0.000	0.000	0.000	0.000
152	152	VAL	0	0.006	-0.005	14.128	0.013	0.013	0.000	0.000	0.000	0.000
153	153	LEU	0	0.004	0.007	10.481	-0.028	-0.028	0.000	0.000	0.000	0.000
154	154	ASP	-1	-0.766	-0.874	14.082	-0.185	-0.185	0.000	0.000	0.000	0.000
155	155	GLU	-1	-0.863	-0.936	14.430	-0.254	-0.254	0.000	0.000	0.000	0.000
156	156	ALA	0	0.002	-0.009	14.395	-0.016	-0.016	0.000	0.000	0.000	0.000
157	157	ASP	-1	-0.751	-0.821	14.464	-0.162	-0.162	0.000	0.000	0.000	0.000
158	158	GLU	-1	-0.855	-0.925	12.743	-0.300	-0.300	0.000	0.000	0.000	0.000
159	159	MET	0	-0.078	-0.014	7.864	-0.043	-0.043	0.000	0.000	0.000	0.000
160	160	LEU	0	-0.040	-0.023	10.312	0.058	0.058	0.000	0.000	0.000	0.000
161	161	SER	0	0.019	0.009	11.467	0.020	0.020	0.000	0.000	0.000	0.000
162	162	ARG	1	0.793	0.877	10.987	0.151	0.151	0.000	0.000	0.000	0.000
163	163	GLY	0	0.039	0.040	8.148	0.075	0.075	0.000	0.000	0.000	0.000
164	164	PHE	0	-0.046	-0.032	5.339	-0.109	-0.109	0.000	0.000	0.000	0.000
165	165	LYS	1	0.813	0.904	7.484	0.110	0.110	0.000	0.000	0.000	0.000
166	166	ASP	-1	-0.868	-0.928	6.702	0.167	0.167	0.000	0.000	0.000	0.000
173	173	GLN	0	0.017	0.021	7.173	0.307	0.307	0.000	0.000	0.000	0.000
174	174	LYS	1	0.792	0.895	5.066	-1.222	-1.222	0.000	0.000	0.000	0.000
175	175	LEU	0	-0.031	0.000	9.020	-0.003	-0.003	0.000	0.000	0.000	0.000
176	176	ASN	0	0.018	0.007	11.658	0.011	0.011	0.000	0.000	0.000	0.000
177	177	SER	0	0.027	-0.003	15.267	-0.035	-0.035	0.000	0.000	0.000	0.000
178	178	ASN	0	-0.057	-0.031	16.914	-0.021	-0.021	0.000	0.000	0.000	0.000
179	179	THR	0	-0.039	0.004	14.368	-0.018	-0.018	0.000	0.000	0.000	0.000
180	180	GLN	0	0.046	0.033	17.364	0.001	0.001	0.000	0.000	0.000	0.000
181	181	VAL	0	-0.027	-0.018	14.604	-0.014	-0.014	0.000	0.000	0.000	0.000
182	182	VAL	0	-0.021	-0.013	16.935	0.005	0.005	0.000	0.000	0.000	0.000
183	183	LEU	0	-0.008	-0.006	14.901	-0.017	-0.017	0.000	0.000	0.000	0.000
184	184	LEU	0	0.011	0.000	17.911	0.012	0.012	0.000	0.000	0.000	0.000
185	185	SER	0	-0.044	-0.047	18.471	-0.024	-0.024	0.000	0.000	0.000	0.000
186	186	ALA	0	0.036	0.031	20.615	0.014	0.014	0.000	0.000	0.000	0.000
187	187	THR	0	-0.031	-0.012	20.333	0.009	0.009	0.000	0.000	0.000	0.000
188	188	MET	0	0.000	-0.017	18.233	-0.005	-0.005	0.000	0.000	0.000	0.000
189	189	PRO	0	0.036	0.036	19.905	0.013	0.013	0.000	0.000	0.000	0.000
190	190	SER	0	0.008	-0.019	22.145	0.004	0.004	0.000	0.000	0.000	0.000
191	191	ASP	-1	-0.894	-0.938	21.380	-0.022	-0.022	0.000	0.000	0.000	0.000
192	192	VAL	0	0.012	0.006	16.839	0.009	0.009	0.000	0.000	0.000	0.000
193	193	LEU	0	-0.023	-0.016	18.511	0.010	0.010	0.000	0.000	0.000	0.000
194	194	GLU	-1	-0.860	-0.903	20.450	0.026	0.026	0.000	0.000	0.000	0.000
195	195	VAL	0	-0.024	-0.009	13.875	0.017	0.017	0.000	0.000	0.000	0.000
196	196	THR	0	0.039	0.003	15.483	0.008	0.008	0.000	0.000	0.000	0.000
197	197	LYS	1	0.777	0.872	16.993	-0.017	-0.017	0.000	0.000	0.000	0.000
198	198	LYS	1	0.932	0.984	12.485	-0.100	-0.100	0.000	0.000	0.000	0.000
199	199	PHE	0	-0.006	-0.002	9.350	0.016	0.016	0.000	0.000	0.000	0.000
200	200	MET	0	-0.063	-0.022	14.589	0.000	0.000	0.000	0.000	0.000	0.000
201	201	ARG	1	0.778	0.854	16.707	-0.038	-0.038	0.000	0.000	0.000	0.000
202	202	ASP	-1	-0.922	-0.948	21.301	0.037	0.037	0.000	0.000	0.000	0.000
203	203	PRO	0	-0.048	-0.016	21.433	-0.004	-0.004	0.000	0.000	0.000	0.000
204	204	ILE	0	0.039	0.014	23.656	0.000	0.000	0.000	0.000	0.000	0.000
205	205	ARG	1	0.919	0.953	24.108	0.009	0.009	0.000	0.000	0.000	0.000
206	206	ILE	0	-0.040	-0.009	26.069	0.003	0.003	0.000	0.000	0.000	0.000
207	207	LEU	0	-0.010	-0.015	23.971	-0.006	-0.006	0.000	0.000	0.000	0.000
208	208	VAL	0	-0.002	0.003	27.413	0.005	0.005	0.000	0.000	0.000	0.000
209	209	LYS	1	0.824	0.899	28.584	0.037	0.037	0.000	0.000	0.000	0.000
210	210	LYS	1	0.961	0.975	28.205	0.048	0.048	0.000	0.000	0.000	0.000
211	211	GLU	-1	-0.757	-0.866	29.601	-0.051	-0.051	0.000	0.000	0.000	0.000
212	212	GLU	-1	-0.999	-0.993	32.085	-0.050	-0.050	0.000	0.000	0.000	0.000
213	213	LEU	0	-0.050	-0.025	26.462	-0.003	-0.003	0.000	0.000	0.000	0.000
214	214	THR	0	-0.034	-0.019	29.591	-0.009	-0.009	0.000	0.000	0.000	0.000
215	215	LEU	0	0.012	0.004	27.718	0.003	0.003	0.000	0.000	0.000	0.000
216	216	GLU	-1	-0.861	-0.929	32.009	-0.072	-0.072	0.000	0.000	0.000	0.000
217	217	GLY	0	-0.090	-0.043	34.421	0.002	0.002	0.000	0.000	0.000	0.000
218	218	ILE	0	0.006	0.002	30.625	-0.003	-0.003	0.000	0.000	0.000	0.000
219	219	ARG	1	0.895	0.965	34.293	0.075	0.075	0.000	0.000	0.000	0.000
220	220	GLN	0	0.046	0.023	32.637	-0.006	-0.006	0.000	0.000	0.000	0.000
221	221	PHE	0	0.042	0.012	35.359	0.005	0.005	0.000	0.000	0.000	0.000
222	222	TYR	0	-0.045	-0.011	35.241	-0.006	-0.006	0.000	0.000	0.000	0.000
223	223	ILE	0	0.087	0.045	36.165	0.004	0.004	0.000	0.000	0.000	0.000
224	224	ASN	0	-0.046	-0.033	36.731	-0.004	-0.004	0.000	0.000	0.000	0.000
225	225	VAL	0	0.018	0.007	34.821	0.003	0.003	0.000	0.000	0.000	0.000
226	226	GLU	-1	-0.815	-0.877	37.551	-0.051	-0.051	0.000	0.000	0.000	0.000
227	227	ARG	1	0.896	0.944	35.952	0.060	0.060	0.000	0.000	0.000	0.000
228	228	GLU	-1	-0.709	-0.839	29.828	-0.114	-0.114	0.000	0.000	0.000	0.000
229	229	GLU	-1	-0.951	-0.996	33.520	-0.073	-0.073	0.000	0.000	0.000	0.000
230	230	TRP	0	-0.023	-0.009	36.353	0.002	0.002	0.000	0.000	0.000	0.000
231	231	LYS	1	0.834	0.936	28.952	0.112	0.112	0.000	0.000	0.000	0.000
232	232	LEU	0	0.003	0.001	33.378	-0.001	-0.001	0.000	0.000	0.000	0.000
233	233	ASP	-1	-0.799	-0.906	35.050	-0.075	-0.075	0.000	0.000	0.000	0.000
234	234	THR	0	0.007	0.006	36.700	0.003	0.003	0.000	0.000	0.000	0.000
235	235	LEU	0	-0.038	-0.030	31.907	-0.001	-0.001	0.000	0.000	0.000	0.000
236	236	CYS	0	-0.051	0.001	35.931	-0.002	-0.002	0.000	0.000	0.000	0.000
237	237	ASP	-1	-0.882	-0.925	38.622	-0.067	-0.067	0.000	0.000	0.000	0.000
238	238	LEU	0	-0.039	-0.024	35.741	0.001	0.001	0.000	0.000	0.000	0.000
239	239	TYR	0	-0.008	-0.012	34.881	0.000	0.000	0.000	0.000	0.000	0.000
240	240	GLU	-1	-0.889	-0.938	39.002	-0.070	-0.070	0.000	0.000	0.000	0.000
241	241	THR	0	-0.034	-0.042	37.750	-0.003	-0.003	0.000	0.000	0.000	0.000
242	242	LEU	0	-0.024	-0.012	33.102	-0.004	-0.004	0.000	0.000	0.000	0.000
243	243	THR	0	-0.040	-0.005	36.366	-0.003	-0.003	0.000	0.000	0.000	0.000
244	244	ILE	0	-0.022	-0.013	39.076	-0.002	-0.002	0.000	0.000	0.000	0.000
245	245	THR	0	-0.018	-0.006	34.800	-0.003	-0.003	0.000	0.000	0.000	0.000
246	246	GLN	0	-0.071	-0.039	29.289	0.000	0.000	0.000	0.000	0.000	0.000
247	247	ALA	0	0.003	-0.012	31.062	0.002	0.002	0.000	0.000	0.000	0.000
248	248	VAL	0	-0.023	-0.010	24.373	-0.009	-0.009	0.000	0.000	0.000	0.000
249	249	ILE	0	-0.008	-0.004	26.764	0.009	0.009	0.000	0.000	0.000	0.000
250	250	PHE	0	0.029	0.013	20.658	-0.014	-0.014	0.000	0.000	0.000	0.000
251	251	ILE	0	-0.038	-0.024	22.506	0.019	0.019	0.000	0.000	0.000	0.000
252	252	ASN	0	0.030	0.005	20.669	-0.027	-0.027	0.000	0.000	0.000	0.000
253	253	THR	0	-0.014	0.008	19.080	-0.013	-0.013	0.000	0.000	0.000	0.000
254	254	ARG	1	0.947	0.954	12.746	0.511	0.511	0.000	0.000	0.000	0.000
255	255	ARG	1	0.945	0.970	19.395	0.171	0.171	0.000	0.000	0.000	0.000
256	256	LYS	1	0.798	0.874	21.973	0.147	0.147	0.000	0.000	0.000	0.000
257	257	VAL	0	0.022	0.012	21.160	0.013	0.013	0.000	0.000	0.000	0.000
258	258	ASP	-1	-0.917	-0.948	23.081	-0.174	-0.174	0.000	0.000	0.000	0.000
259	259	TRP	0	0.013	0.012	24.865	0.014	0.014	0.000	0.000	0.000	0.000
260	260	LEU	0	-0.010	-0.009	27.429	0.010	0.010	0.000	0.000	0.000	0.000
261	261	THR	0	-0.016	-0.027	26.495	0.007	0.007	0.000	0.000	0.000	0.000
262	262	GLU	-1	-0.838	-0.889	29.083	-0.102	-0.102	0.000	0.000	0.000	0.000
263	263	LYS	1	0.816	0.882	30.885	0.114	0.114	0.000	0.000	0.000	0.000
264	264	MET	0	-0.023	-0.016	32.360	0.008	0.008	0.000	0.000	0.000	0.000
265	265	HIS	0	-0.017	-0.001	32.543	0.008	0.008	0.000	0.000	0.000	0.000
266	266	ALA	0	-0.004	0.003	34.657	0.005	0.005	0.000	0.000	0.000	0.000
267	267	ARG	1	0.729	0.823	36.947	0.089	0.089	0.000	0.000	0.000	0.000
268	268	ASP	-1	-0.916	-0.940	38.356	-0.078	-0.078	0.000	0.000	0.000	0.000
269	269	PHE	0	-0.029	-0.017	36.247	0.001	0.001	0.000	0.000	0.000	0.000
270	270	THR	0	-0.023	-0.015	33.751	-0.006	-0.006	0.000	0.000	0.000	0.000
271	271	VAL	0	-0.018	0.000	29.929	-0.002	-0.002	0.000	0.000	0.000	0.000
272	272	SER	0	-0.002	0.004	26.485	-0.004	-0.004	0.000	0.000	0.000	0.000
273	273	ALA	0	0.042	0.033	23.442	0.001	0.001	0.000	0.000	0.000	0.000
274	274	MET	0	-0.025	-0.015	17.764	-0.014	-0.014	0.000	0.000	0.000	0.000
275	275	HIS	0	0.051	0.009	17.296	-0.024	-0.024	0.000	0.000	0.000	0.000
276	276	GLY	0	0.000	-0.022	13.465	-0.008	-0.008	0.000	0.000	0.000	0.000
277	277	ASP	-1	-0.934	-0.965	13.778	-0.483	-0.483	0.000	0.000	0.000	0.000
278	278	MET	0	-0.064	-0.010	16.108	0.045	0.045	0.000	0.000	0.000	0.000
279	279	ASP	-1	-0.865	-0.932	15.740	-0.403	-0.403	0.000	0.000	0.000	0.000
280	280	GLN	0	-0.038	-0.042	13.465	-0.063	-0.063	0.000	0.000	0.000	0.000
281	281	LYS	1	0.813	0.882	15.960	0.278	0.278	0.000	0.000	0.000	0.000
282	282	GLU	-1	-0.794	-0.876	19.212	-0.225	-0.225	0.000	0.000	0.000	0.000
283	283	ARG	1	0.781	0.852	11.720	0.716	0.716	0.000	0.000	0.000	0.000
284	284	ASP	-1	-0.910	-0.956	18.784	-0.281	-0.281	0.000	0.000	0.000	0.000
285	285	VAL	0	-0.064	-0.030	20.134	0.027	0.027	0.000	0.000	0.000	0.000
286	286	ILE	0	0.026	0.007	21.189	0.019	0.019	0.000	0.000	0.000	0.000
287	287	MET	0	0.010	0.006	19.412	0.027	0.027	0.000	0.000	0.000	0.000
288	288	ARG	1	0.907	0.956	22.837	0.230	0.230	0.000	0.000	0.000	0.000
289	289	GLU	-1	-0.855	-0.916	25.660	-0.145	-0.145	0.000	0.000	0.000	0.000
290	290	PHE	0	-0.028	0.000	23.785	0.009	0.009	0.000	0.000	0.000	0.000
291	291	ARG	1	0.889	0.926	23.492	0.204	0.204	0.000	0.000	0.000	0.000
292	292	SER	0	-0.042	-0.011	27.608	0.009	0.009	0.000	0.000	0.000	0.000
293	293	GLY	0	0.013	0.009	30.276	0.009	0.009	0.000	0.000	0.000	0.000
294	294	SER	0	-0.086	-0.049	31.360	0.006	0.006	0.000	0.000	0.000	0.000
295	295	SER	0	-0.024	-0.007	27.882	0.008	0.008	0.000	0.000	0.000	0.000
296	296	ARG	1	0.924	0.959	30.808	0.101	0.101	0.000	0.000	0.000	0.000
297	297	VAL	0	0.054	0.018	30.108	0.001	0.001	0.000	0.000	0.000	0.000
298	298	LEU	0	-0.031	-0.001	23.065	-0.004	-0.004	0.000	0.000	0.000	0.000
299	299	ILE	0	0.012	0.004	24.772	0.002	0.002	0.000	0.000	0.000	0.000
300	300	THR	0	-0.030	-0.044	20.068	-0.022	-0.022	0.000	0.000	0.000	0.000
301	301	THR	0	0.036	0.009	16.565	0.026	0.026	0.000	0.000	0.000	0.000
302	302	ASP	-1	-0.783	-0.876	16.801	-0.251	-0.251	0.000	0.000	0.000	0.000
303	303	LEU	0	-0.025	0.011	13.375	-0.018	-0.018	0.000	0.000	0.000	0.000
304	304	LEU	0	-0.017	-0.017	15.758	-0.003	-0.003	0.000	0.000	0.000	0.000
305	305	ALA	0	0.000	0.009	18.078	0.031	0.031	0.000	0.000	0.000	0.000
306	306	ARG	1	0.795	0.869	15.714	0.256	0.256	0.000	0.000	0.000	0.000
307	307	GLY	0	0.029	0.006	17.864	-0.022	-0.022	0.000	0.000	0.000	0.000
308	308	ILE	0	-0.032	-0.002	17.449	0.011	0.011	0.000	0.000	0.000	0.000
309	309	ASP	-1	-0.895	-0.941	20.914	-0.155	-0.155	0.000	0.000	0.000	0.000
310	310	VAL	0	0.005	-0.014	24.396	-0.009	-0.009	0.000	0.000	0.000	0.000
311	311	GLN	0	-0.020	-0.010	26.818	0.002	0.002	0.000	0.000	0.000	0.000
312	312	GLN	0	0.041	0.012	30.544	0.011	0.011	0.000	0.000	0.000	0.000
313	313	VAL	0	-0.025	0.020	28.027	0.006	0.006	0.000	0.000	0.000	0.000
314	314	SER	0	-0.038	-0.039	31.188	0.001	0.001	0.000	0.000	0.000	0.000
315	315	LEU	0	0.004	0.001	32.854	0.001	0.001	0.000	0.000	0.000	0.000
316	316	VAL	0	0.022	0.008	27.380	-0.009	-0.009	0.000	0.000	0.000	0.000
317	317	ILE	0	-0.009	-0.007	29.180	0.009	0.009	0.000	0.000	0.000	0.000
318	318	ASN	0	0.009	-0.001	26.357	-0.025	-0.025	0.000	0.000	0.000	0.000
319	319	TYR	0	0.076	0.015	27.816	0.011	0.011	0.000	0.000	0.000	0.000
320	320	ASP	-1	-0.794	-0.872	24.711	-0.140	-0.140	0.000	0.000	0.000	0.000
321	321	LEU	0	0.036	0.025	25.892	-0.009	-0.009	0.000	0.000	0.000	0.000
322	322	PRO	0	-0.041	0.015	22.402	-0.003	-0.003	0.000	0.000	0.000	0.000
323	323	THR	0	0.073	0.009	21.593	0.008	0.008	0.000	0.000	0.000	0.000
324	324	ASN	0	-0.025	-0.004	18.793	0.008	0.008	0.000	0.000	0.000	0.000
325	325	ARG	1	0.937	0.953	21.476	0.077	0.077	0.000	0.000	0.000	0.000
326	326	GLU	-1	-0.879	-0.941	20.679	-0.108	-0.108	0.000	0.000	0.000	0.000
327	327	ASN	0	-0.045	-0.046	18.659	0.011	0.011	0.000	0.000	0.000	0.000
328	328	TYR	0	0.020	0.008	21.030	-0.008	-0.008	0.000	0.000	0.000	0.000
329	329	ILE	0	0.011	0.012	24.287	-0.001	-0.001	0.000	0.000	0.000	0.000
330	330	HIS	0	-0.060	-0.041	20.647	-0.008	-0.008	0.000	0.000	0.000	0.000
331	331	ARG	1	0.810	0.862	20.985	0.194	0.194	0.000	0.000	0.000	0.000
332	332	ILE	0	0.026	0.009	23.673	0.001	0.001	0.000	0.000	0.000	0.000
333	333	GLY	0	0.001	0.017	25.942	0.006	0.006	0.000	0.000	0.000	0.000
334	334	ARG	1	0.775	0.885	21.934	0.202	0.202	0.000	0.000	0.000	0.000
335	335	GLY	0	0.016	0.007	25.936	0.001	0.001	0.000	0.000	0.000	0.000
336	336	GLY	0	0.003	-0.005	29.704	0.001	0.001	0.000	0.000	0.000	0.000
337	337	ARG	1	0.789	0.929	25.853	0.154	0.154	0.000	0.000	0.000	0.000
338	338	PHE	0	-0.029	-0.029	31.675	0.006	0.006	0.000	0.000	0.000	0.000
339	339	GLY	0	0.006	0.007	34.018	0.005	0.005	0.000	0.000	0.000	0.000
340	340	ARG	1	0.785	0.881	35.330	0.090	0.090	0.000	0.000	0.000	0.000
341	341	LYS	1	0.927	0.958	35.617	0.066	0.066	0.000	0.000	0.000	0.000
342	342	GLY	0	0.097	0.044	33.776	0.001	0.001	0.000	0.000	0.000	0.000
343	343	VAL	0	-0.066	-0.024	34.078	0.006	0.006	0.000	0.000	0.000	0.000
344	344	ALA	0	0.013	0.006	30.949	-0.008	-0.008	0.000	0.000	0.000	0.000
345	345	ILE	0	0.014	0.011	32.502	0.006	0.006	0.000	0.000	0.000	0.000
346	346	ASN	0	0.002	-0.008	30.478	-0.016	-0.016	0.000	0.000	0.000	0.000
347	347	MET	0	-0.017	-0.001	31.512	0.005	0.005	0.000	0.000	0.000	0.000
348	348	VAL	0	-0.015	-0.001	32.162	-0.003	-0.003	0.000	0.000	0.000	0.000
349	349	THR	0	-0.048	-0.056	32.026	0.006	0.006	0.000	0.000	0.000	0.000
350	350	GLU	-1	-0.862	-0.956	34.604	-0.049	-0.049	0.000	0.000	0.000	0.000
351	351	GLU	-1	-0.955	-0.972	29.735	-0.062	-0.062	0.000	0.000	0.000	0.000
352	352	ASP	-1	-0.837	-0.879	29.463	-0.098	-0.098	0.000	0.000	0.000	0.000
353	353	LYS	1	0.778	0.881	31.535	0.053	0.053	0.000	0.000	0.000	0.000
354	354	ARG	1	0.948	0.957	32.232	0.046	0.046	0.000	0.000	0.000	0.000
355	355	THR	0	0.058	0.032	26.977	0.004	0.004	0.000	0.000	0.000	0.000
356	356	LEU	0	0.012	0.014	29.753	-0.003	-0.003	0.000	0.000	0.000	0.000
357	357	ARG	1	0.808	0.879	31.992	0.061	0.061	0.000	0.000	0.000	0.000
358	358	ASP	-1	-0.846	-0.906	28.066	-0.063	-0.063	0.000	0.000	0.000	0.000
359	359	ILE	0	-0.007	0.006	27.480	-0.002	-0.002	0.000	0.000	0.000	0.000
360	360	GLU	-1	-0.816	-0.894	29.893	-0.060	-0.060	0.000	0.000	0.000	0.000
361	361	THR	0	-0.035	-0.031	33.144	0.004	0.004	0.000	0.000	0.000	0.000
362	362	PHE	0	-0.076	-0.022	25.551	0.004	0.004	0.000	0.000	0.000	0.000
363	363	TYR	0	-0.027	-0.050	25.861	-0.001	-0.001	0.000	0.000	0.000	0.000
364	364	ASN	0	-0.038	0.001	32.210	0.003	0.003	0.000	0.000	0.000	0.000
365	365	THR	0	-0.027	-0.013	34.357	0.002	0.002	0.000	0.000	0.000	0.000
366	366	SER	0	-0.012	-0.014	37.041	0.001	0.001	0.000	0.000	0.000	0.000
367	367	ILE	0	-0.054	-0.015	33.178	0.001	0.001	0.000	0.000	0.000	0.000
368	368	GLU	-1	-0.888	-0.941	37.676	-0.052	-0.052	0.000	0.000	0.000	0.000
369	369	GLU	-1	-0.974	-0.992	39.418	-0.058	-0.058	0.000	0.000	0.000	0.000
370	370	MET	0	-0.058	-0.026	38.735	-0.001	-0.001	0.000	0.000	0.000	0.000
371	371	PRO	0	0.011	0.020	41.138	0.003	0.003	0.000	0.000	0.000	0.000
372	372	LEU	0	-0.009	-0.012	43.515	-0.002	-0.002	0.000	0.000	0.000	0.000
373	373	ASN	0	-0.025	-0.008	44.891	-0.003	-0.003	0.000	0.000	0.000	0.000
374	374	VAL	0	0.050	0.010	38.513	0.000	0.000	0.000	0.000	0.000	0.000
375	375	ALA	0	0.007	-0.005	41.294	-0.003	-0.003	0.000	0.000	0.000	0.000
376	376	ASP	-1	-0.879	-0.934	42.581	-0.062	-0.062	0.000	0.000	0.000	0.000
377	377	LEU	0	-0.155	-0.079	40.796	0.001	0.001	0.000	0.000	0.000	0.000
378	378	ILE	-1	-0.754	-0.815	36.719	-0.088	-0.088	0.000	0.000	0.000	0.000
379	379	A	-1	-0.445	-0.571	12.389	0.031	0.031	0.000	0.000	0.000	0.000
380	379	A	0	-0.365	-0.311	15.259	-0.018	-0.018	0.000	0.000	0.000	0.000
381	380	G	-1	-0.539	-0.628	14.456	-0.093	-0.093	0.000	0.000	0.000	0.000
382	380	G	0	-0.347	-0.311	16.817	-0.018	-0.018	0.000	0.000	0.000	0.000
383	381	A	-1	-0.613	-0.671	15.672	-0.179	-0.179	0.000	0.000	0.000	0.000
384	381	A	0	-0.378	-0.321	16.226	-0.009	-0.009	0.000	0.000	0.000	0.000
385	382	G	-1	-0.532	-0.679	15.370	-0.312	-0.312	0.000	0.000	0.000	0.000
386	382	G	0	-0.354	-0.292	12.657	0.001	0.001	0.000	0.000	0.000	0.000
387	383	A	-1	-0.484	-0.592	11.685	-0.483	-0.483	0.000	0.000	0.000	0.000
388	383	A	0	-0.321	-0.294	9.227	-0.093	-0.093	0.000	0.000	0.000	0.000
389	384	G	-1	-0.473	-0.588	7.550	-0.833	-0.833	0.000	0.000	0.000	0.000
390	384	G	0	-0.390	-0.326	5.465	-0.056	-0.056	0.000	0.000	0.000	0.000
395	387	A	-1	-0.552	-0.641	5.490	-0.575	-0.575	0.000	0.000	0.000	0.000
396	387	A	0	-0.316	-0.285	5.574	0.006	0.006	0.000	0.000	0.000	0.000
397	388	G	0	0.328	0.247	7.656	-0.029	-0.029	0.000	0.000	0.000	0.000
398	388	G	0	-0.371	-0.275	5.408	-0.577	-0.577	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #399(:389:V6D)