FMO DATABASE

FMODB ID: 94Z92

Calculation Name: 6XKI-A-MD433-97ns

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	-7611967.717448
FMO2-HF: Nuclear repulsion	7442613.982759
FMO2-HF: Total energy	-169353.734689
FMO2-MP2: Total energy	-169831.830184

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.
-314.380107	-261.643576	46.582911	-23.728080	-75.591362	0.118347

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.
-47.252	-15.231	25.921	-13.422	-44.521	-0.051

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 : -0.105 / q_NPA : -0.040

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	0.024	0.004	3.788	-0.438	0.078	0.012	-0.102	-0.426	0.000
132	132	GLY	0	0.042	0.033	2.638	-2.622	0.255	2.546	-2.354	-3.070	0.000
133	133	ARG	1	0.844	0.881	2.575	-1.347	-0.461	0.959	0.372	-2.217	-0.017
134	134	VAL	0	0.006	0.003	5.035	-0.028	0.121	-0.001	-0.008	-0.140	0.000
135	135	PHE	0	0.025	0.001	2.425	-9.358	-3.527	7.558	-2.988	-10.401	0.003
136	136	ASP	-1	-0.785	-0.864	2.339	-5.355	-2.108	1.986	-1.957	-3.277	-0.008
137	137	MET	0	-0.032	-0.017	3.088	1.597	1.103	0.068	0.818	-0.391	0.000
139	139	ASN	0	-0.060	-0.027	2.440	-0.732	-0.011	2.862	-1.054	-2.529	0.000
140	140	ARG	1	0.821	0.906	4.419	0.409	0.612	-0.001	-0.029	-0.173	0.000
167	167	GLN	0	0.014	0.002	2.751	-6.351	-2.583	3.387	-1.918	-5.237	-0.012
168	168	ILE	0	0.019	0.000	4.302	-1.395	-1.171	-0.004	0.117	-0.337	0.000
170	170	ASP	-1	-0.904	-0.939	3.289	-3.356	-1.849	0.053	-0.625	-0.935	-0.005
171	171	ILE	0	-0.084	-0.046	4.183	-0.157	0.280	0.004	-0.044	-0.398	0.000
174	174	LYS	1	0.923	0.970	4.503	-1.311	-1.159	-0.001	-0.002	-0.149	0.000
391	385	G	0	-0.319	-0.290	2.267	-2.456	-1.184	0.755	-0.535	-1.491	-0.004
392	385	G	-1	-0.465	-0.578	2.675	-3.424	-2.044	0.115	-0.461	-1.035	-0.002
393	386	G	0	-0.379	-0.318	2.556	-7.322	1.005	5.163	-2.227	-11.262	-0.008
394	386	G	-1	-0.571	-0.646	2.676	-2.057	-1.039	0.460	-0.425	-1.053	0.002
1	1	GLU	0	-0.081	-0.050	41.431	0.001	0.001	0.000	0.000	0.000	0.000
2	2	ILE	0	-0.015	-0.017	35.953	-0.001	-0.001	0.000	0.000	0.000	0.000
3	3	VAL	0	0.009	0.024	35.293	0.001	0.001	0.000	0.000	0.000	0.000
4	4	ASP	-1	-0.899	-0.958	37.621	-0.087	-0.087	0.000	0.000	0.000	0.000
5	5	SER	0	-0.016	-0.050	38.413	-0.004	-0.004	0.000	0.000	0.000	0.000
6	6	PHE	0	0.006	-0.028	31.841	-0.001	-0.001	0.000	0.000	0.000	0.000
7	7	ASP	-1	-0.822	-0.871	36.383	-0.086	-0.086	0.000	0.000	0.000	0.000
8	8	ASP	-1	-0.871	-0.933	39.123	-0.072	-0.072	0.000	0.000	0.000	0.000
9	9	MET	0	-0.165	-0.079	32.569	-0.001	-0.001	0.000	0.000	0.000	0.000
10	10	ASN	0	-0.078	-0.032	35.390	0.001	0.001	0.000	0.000	0.000	0.000
11	11	LEU	0	-0.008	0.001	31.760	-0.002	-0.002	0.000	0.000	0.000	0.000
12	12	SER	0	0.001	-0.010	33.447	0.006	0.006	0.000	0.000	0.000	0.000
13	13	GLU	-1	-0.902	-0.949	35.332	-0.078	-0.078	0.000	0.000	0.000	0.000
14	14	SER	0	0.011	-0.009	34.965	-0.004	-0.004	0.000	0.000	0.000	0.000
15	15	LEU	0	0.019	0.005	29.511	-0.008	-0.008	0.000	0.000	0.000	0.000
16	16	LEU	0	0.000	-0.005	33.133	-0.008	-0.008	0.000	0.000	0.000	0.000
17	17	ARG	1	0.900	0.961	35.939	0.094	0.094	0.000	0.000	0.000	0.000
18	18	GLY	0	0.022	0.017	32.896	-0.001	-0.001	0.000	0.000	0.000	0.000
19	19	ILE	0	-0.017	-0.017	31.963	-0.007	-0.007	0.000	0.000	0.000	0.000
20	20	TYR	0	0.005	-0.005	33.883	-0.003	-0.003	0.000	0.000	0.000	0.000
21	21	ALA	0	-0.026	0.006	35.542	0.002	0.002	0.000	0.000	0.000	0.000
22	22	TYR	0	-0.046	-0.021	27.459	-0.009	-0.009	0.000	0.000	0.000	0.000
23	23	GLY	0	-0.006	0.002	33.217	-0.007	-0.007	0.000	0.000	0.000	0.000
24	24	PHE	0	-0.076	-0.037	29.174	-0.004	-0.004	0.000	0.000	0.000	0.000
25	25	GLU	-1	-0.873	-0.956	35.531	-0.094	-0.094	0.000	0.000	0.000	0.000
26	26	LYS	1	0.933	0.969	37.042	0.099	0.099	0.000	0.000	0.000	0.000
27	27	PRO	0	0.006	0.033	33.248	-0.008	-0.008	0.000	0.000	0.000	0.000
28	28	SER	0	0.020	-0.014	30.244	0.009	0.009	0.000	0.000	0.000	0.000
29	29	ALA	0	0.039	0.006	33.048	0.002	0.002	0.000	0.000	0.000	0.000
30	30	ILE	0	-0.012	-0.005	26.854	0.006	0.006	0.000	0.000	0.000	0.000
31	31	GLN	0	0.019	0.010	28.183	0.013	0.013	0.000	0.000	0.000	0.000
32	32	GLN	0	-0.052	-0.034	30.217	0.008	0.008	0.000	0.000	0.000	0.000
33	33	ARG	1	0.921	0.955	31.374	0.108	0.108	0.000	0.000	0.000	0.000
34	34	ALA	0	0.024	0.012	25.994	0.004	0.004	0.000	0.000	0.000	0.000
35	35	ILE	0	0.052	0.038	27.020	-0.003	-0.003	0.000	0.000	0.000	0.000
36	36	LEU	0	0.038	0.019	28.362	0.003	0.003	0.000	0.000	0.000	0.000
37	37	PRO	0	-0.039	-0.017	27.576	0.006	0.006	0.000	0.000	0.000	0.000
38	38	CYS	0	-0.003	-0.004	24.287	-0.001	-0.001	0.000	0.000	0.000	0.000
39	39	ILE	0	0.031	0.023	25.764	0.003	0.003	0.000	0.000	0.000	0.000
40	40	LYS	1	0.884	0.938	28.381	0.065	0.065	0.000	0.000	0.000	0.000
41	41	GLY	0	0.029	0.026	24.857	0.011	0.011	0.000	0.000	0.000	0.000
42	42	TYR	0	-0.031	-0.011	24.119	0.005	0.005	0.000	0.000	0.000	0.000
43	43	ASP	-1	-0.712	-0.824	20.478	-0.119	-0.119	0.000	0.000	0.000	0.000
44	44	VAL	0	-0.038	-0.029	21.492	0.011	0.011	0.000	0.000	0.000	0.000
45	45	ILE	0	-0.011	-0.003	20.707	-0.021	-0.021	0.000	0.000	0.000	0.000
46	46	ALA	0	0.020	-0.002	22.401	0.019	0.019	0.000	0.000	0.000	0.000
47	47	GLN	0	-0.009	-0.007	23.280	-0.010	-0.010	0.000	0.000	0.000	0.000
48	48	ALA	0	0.002	-0.008	23.533	0.011	0.011	0.000	0.000	0.000	0.000
49	49	GLN	0	0.106	0.054	24.462	-0.031	-0.031	0.000	0.000	0.000	0.000
50	50	SER	0	-0.019	0.008	25.759	-0.003	-0.003	0.000	0.000	0.000	0.000
51	51	GLY	0	0.040	0.022	26.837	0.013	0.013	0.000	0.000	0.000	0.000
52	52	THR	0	-0.067	-0.048	27.548	0.007	0.007	0.000	0.000	0.000	0.000
53	53	GLY	0	0.065	0.056	27.159	0.008	0.008	0.000	0.000	0.000	0.000
54	54	LYS	1	0.809	0.876	19.116	0.391	0.391	0.000	0.000	0.000	0.000
55	55	THR	0	0.043	0.017	21.193	-0.006	-0.006	0.000	0.000	0.000	0.000
56	56	ALA	0	0.044	0.021	22.786	0.004	0.004	0.000	0.000	0.000	0.000
57	57	THR	0	-0.012	-0.003	24.396	0.017	0.017	0.000	0.000	0.000	0.000
58	58	PHE	0	0.043	0.027	18.814	0.014	0.014	0.000	0.000	0.000	0.000
59	59	ALA	0	0.009	0.004	22.759	0.009	0.009	0.000	0.000	0.000	0.000
60	60	ILE	0	0.024	0.012	23.900	0.011	0.011	0.000	0.000	0.000	0.000
61	61	SER	0	-0.005	-0.027	24.250	0.017	0.017	0.000	0.000	0.000	0.000
62	62	ILE	0	-0.007	0.008	19.512	0.009	0.009	0.000	0.000	0.000	0.000
63	63	LEU	0	0.005	-0.002	23.688	0.015	0.015	0.000	0.000	0.000	0.000
64	64	GLN	0	0.046	0.034	26.460	0.008	0.008	0.000	0.000	0.000	0.000
65	65	GLN	0	-0.094	-0.055	24.646	0.023	0.023	0.000	0.000	0.000	0.000
66	66	ILE	0	-0.046	-0.009	22.305	0.002	0.002	0.000	0.000	0.000	0.000
67	67	GLU	-1	-0.878	-0.930	25.784	-0.063	-0.063	0.000	0.000	0.000	0.000
68	68	LEU	0	0.071	0.023	26.159	-0.008	-0.008	0.000	0.000	0.000	0.000
69	69	ASP	-1	-0.893	-0.934	27.779	-0.072	-0.072	0.000	0.000	0.000	0.000
70	70	LEU	0	-0.071	-0.031	23.077	0.008	0.008	0.000	0.000	0.000	0.000
71	71	LYS	1	0.871	0.935	23.359	0.089	0.089	0.000	0.000	0.000	0.000
72	72	ALA	0	-0.006	-0.003	18.980	-0.002	-0.002	0.000	0.000	0.000	0.000
73	73	THR	0	0.007	-0.007	15.207	-0.009	-0.009	0.000	0.000	0.000	0.000
74	74	GLN	0	-0.012	-0.010	17.261	0.015	0.015	0.000	0.000	0.000	0.000
75	75	ALA	0	-0.019	-0.002	17.948	0.013	0.013	0.000	0.000	0.000	0.000
76	76	LEU	0	-0.012	-0.003	10.500	-0.019	-0.019	0.000	0.000	0.000	0.000
77	77	VAL	0	-0.011	-0.007	14.177	0.015	0.015	0.000	0.000	0.000	0.000
78	78	LEU	0	-0.006	-0.005	7.886	-0.060	-0.060	0.000	0.000	0.000	0.000
79	79	ALA	0	0.040	0.014	10.458	0.097	0.097	0.000	0.000	0.000	0.000
80	80	PRO	0	0.023	0.014	9.249	-0.170	-0.170	0.000	0.000	0.000	0.000
81	81	THR	0	0.018	0.002	9.007	-0.235	-0.235	0.000	0.000	0.000	0.000
82	82	ARG	1	0.869	0.903	7.968	1.836	1.836	0.000	0.000	0.000	0.000
83	83	GLU	-1	-0.778	-0.875	12.075	-0.637	-0.637	0.000	0.000	0.000	0.000
84	84	LEU	0	0.001	-0.005	14.555	0.074	0.074	0.000	0.000	0.000	0.000
85	85	ALA	0	0.012	0.014	12.850	0.061	0.061	0.000	0.000	0.000	0.000
86	86	GLN	0	0.034	0.008	14.994	0.099	0.099	0.000	0.000	0.000	0.000
87	87	GLN	0	-0.085	-0.051	17.892	0.046	0.046	0.000	0.000	0.000	0.000
88	88	ILE	0	0.015	0.008	15.931	0.042	0.042	0.000	0.000	0.000	0.000
89	89	GLN	0	0.030	0.001	18.431	0.019	0.019	0.000	0.000	0.000	0.000
90	90	LYS	1	0.908	0.953	20.174	0.390	0.390	0.000	0.000	0.000	0.000
91	91	VAL	0	0.006	0.013	23.139	0.022	0.022	0.000	0.000	0.000	0.000
92	92	VAL	0	-0.008	-0.011	20.509	0.021	0.021	0.000	0.000	0.000	0.000
93	93	MET	0	-0.017	-0.009	22.873	0.018	0.018	0.000	0.000	0.000	0.000
94	94	ALA	0	-0.006	0.017	25.459	0.016	0.016	0.000	0.000	0.000	0.000
95	95	LEU	0	-0.026	-0.016	26.625	0.014	0.014	0.000	0.000	0.000	0.000
96	96	GLY	0	0.041	0.004	28.026	0.013	0.013	0.000	0.000	0.000	0.000
97	97	ASP	-1	-0.958	-0.964	29.061	-0.149	-0.149	0.000	0.000	0.000	0.000
98	98	TYR	0	-0.011	-0.021	30.765	0.008	0.008	0.000	0.000	0.000	0.000
99	99	MET	0	-0.086	-0.029	30.212	0.004	0.004	0.000	0.000	0.000	0.000
100	100	GLY	0	0.017	0.024	30.227	0.008	0.008	0.000	0.000	0.000	0.000
101	101	ALA	0	-0.025	-0.010	25.713	0.001	0.001	0.000	0.000	0.000	0.000
102	102	SER	0	-0.003	0.005	23.163	-0.007	-0.007	0.000	0.000	0.000	0.000
103	103	CYS	0	-0.026	-0.025	18.777	-0.007	-0.007	0.000	0.000	0.000	0.000
104	104	HIS	0	-0.022	-0.018	13.949	0.053	0.053	0.000	0.000	0.000	0.000
105	105	ALA	0	0.025	0.009	14.765	-0.019	-0.019	0.000	0.000	0.000	0.000
106	106	CYS	0	-0.064	-0.015	9.656	0.025	0.025	0.000	0.000	0.000	0.000
107	107	ILE	0	-0.015	-0.004	9.618	-0.114	-0.114	0.000	0.000	0.000	0.000
108	108	GLY	0	0.038	0.017	7.751	0.067	0.067	0.000	0.000	0.000	0.000
109	109	GLY	0	-0.003	-0.003	8.412	0.131	0.131	0.000	0.000	0.000	0.000
110	110	THR	0	-0.032	-0.030	10.498	0.204	0.204	0.000	0.000	0.000	0.000
111	111	ASN	0	0.003	0.006	10.796	-0.035	-0.035	0.000	0.000	0.000	0.000
112	112	VAL	0	0.094	0.051	7.099	0.024	0.024	0.000	0.000	0.000	0.000
113	113	ARG	1	0.910	0.960	10.421	0.126	0.126	0.000	0.000	0.000	0.000
114	114	ALA	0	0.034	-0.004	12.911	0.029	0.029	0.000	0.000	0.000	0.000
115	115	GLU	-1	-0.767	-0.855	10.472	-0.662	-0.662	0.000	0.000	0.000	0.000
116	116	VAL	0	0.002	-0.004	10.089	0.029	0.029	0.000	0.000	0.000	0.000
117	117	GLN	0	-0.021	-0.019	13.147	0.024	0.024	0.000	0.000	0.000	0.000
118	118	LYS	1	0.991	1.003	16.732	0.307	0.307	0.000	0.000	0.000	0.000
119	119	LEU	0	-0.001	-0.003	12.803	0.014	0.014	0.000	0.000	0.000	0.000
120	120	GLN	0	-0.070	-0.041	14.899	0.045	0.045	0.000	0.000	0.000	0.000
121	121	MET	0	-0.080	-0.030	18.792	0.013	0.013	0.000	0.000	0.000	0.000
122	122	GLU	-1	-0.950	-0.984	19.919	-0.208	-0.208	0.000	0.000	0.000	0.000
123	123	ALA	0	-0.049	-0.004	19.951	0.008	0.008	0.000	0.000	0.000	0.000
124	124	PRO	0	-0.013	0.001	17.782	0.006	0.006	0.000	0.000	0.000	0.000
125	125	HIS	0	0.016	0.002	19.998	-0.006	-0.006	0.000	0.000	0.000	0.000
126	126	ILE	0	-0.047	-0.026	18.423	0.001	0.001	0.000	0.000	0.000	0.000
127	127	ILE	0	0.017	0.000	12.307	-0.011	-0.011	0.000	0.000	0.000	0.000
128	128	VAL	0	0.006	0.013	14.156	0.001	0.001	0.000	0.000	0.000	0.000
129	129	GLY	0	0.015	-0.004	10.573	0.009	0.009	0.000	0.000	0.000	0.000
130	130	THR	0	-0.013	-0.018	6.894	0.165	0.165	0.000	0.000	0.000	0.000
138	138	LEU	0	-0.018	0.004	5.452	0.254	0.254	0.000	0.000	0.000	0.000
141	141	ARG	1	0.903	0.942	6.756	-0.378	-0.378	0.000	0.000	0.000	0.000
142	142	TYR	0	0.054	0.043	9.475	0.023	0.023	0.000	0.000	0.000	0.000
143	143	LEU	0	0.017	0.023	9.021	0.010	0.010	0.000	0.000	0.000	0.000
144	144	SER	0	-0.004	-0.013	10.952	0.077	0.077	0.000	0.000	0.000	0.000
145	145	PRO	0	0.024	-0.008	12.131	-0.023	-0.023	0.000	0.000	0.000	0.000
146	146	LYS	1	0.904	0.968	14.820	-0.041	-0.041	0.000	0.000	0.000	0.000
147	147	TYR	0	-0.008	-0.008	16.787	0.006	0.006	0.000	0.000	0.000	0.000
148	148	ILE	0	-0.023	-0.001	13.889	-0.011	-0.011	0.000	0.000	0.000	0.000
149	149	LYS	1	0.922	0.962	17.307	0.119	0.119	0.000	0.000	0.000	0.000
150	150	MET	0	-0.035	-0.006	18.262	0.011	0.011	0.000	0.000	0.000	0.000
151	151	PHE	0	-0.011	-0.015	9.334	-0.024	-0.024	0.000	0.000	0.000	0.000
152	152	VAL	0	0.010	0.001	14.502	0.028	0.028	0.000	0.000	0.000	0.000
153	153	LEU	0	0.011	0.006	11.008	-0.065	-0.065	0.000	0.000	0.000	0.000
154	154	ASP	-1	-0.773	-0.888	14.285	-0.351	-0.351	0.000	0.000	0.000	0.000
155	155	GLU	-1	-0.828	-0.899	14.324	-0.501	-0.501	0.000	0.000	0.000	0.000
156	156	ALA	0	-0.003	-0.018	14.645	-0.035	-0.035	0.000	0.000	0.000	0.000
157	157	ASP	-1	-0.779	-0.824	15.111	-0.373	-0.373	0.000	0.000	0.000	0.000
158	158	GLU	-1	-0.864	-0.933	11.988	-0.594	-0.594	0.000	0.000	0.000	0.000
159	159	MET	0	-0.073	-0.011	8.778	-0.056	-0.056	0.000	0.000	0.000	0.000
160	160	LEU	0	-0.028	-0.016	10.841	0.036	0.036	0.000	0.000	0.000	0.000
161	161	SER	0	-0.014	-0.014	11.738	0.053	0.053	0.000	0.000	0.000	0.000
162	162	ARG	1	0.811	0.887	10.855	0.214	0.214	0.000	0.000	0.000	0.000
163	163	GLY	0	0.078	0.054	8.179	0.088	0.088	0.000	0.000	0.000	0.000
164	164	PHE	0	-0.032	-0.016	5.310	-0.199	-0.199	0.000	0.000	0.000	0.000
165	165	LYS	1	0.934	0.974	7.376	0.341	0.341	0.000	0.000	0.000	0.000
166	166	ASP	-1	-0.875	-0.942	6.253	-0.062	-0.062	0.000	0.000	0.000	0.000
169	169	TYR	0	0.001	-0.003	7.067	-0.038	-0.038	0.000	0.000	0.000	0.000
172	172	PHE	0	0.001	-0.007	6.087	0.309	0.309	0.000	0.000	0.000	0.000
173	173	GLN	0	-0.040	-0.023	8.715	0.123	0.123	0.000	0.000	0.000	0.000
175	175	LEU	0	-0.035	-0.001	9.894	0.055	0.055	0.000	0.000	0.000	0.000
176	176	ASN	0	0.017	0.008	12.569	0.044	0.044	0.000	0.000	0.000	0.000
177	177	SER	0	0.028	0.015	16.270	-0.035	-0.035	0.000	0.000	0.000	0.000
178	178	ASN	0	-0.056	-0.037	17.312	0.006	0.006	0.000	0.000	0.000	0.000
179	179	THR	0	-0.030	-0.006	15.296	-0.014	-0.014	0.000	0.000	0.000	0.000
180	180	GLN	0	-0.012	0.014	17.519	-0.013	-0.013	0.000	0.000	0.000	0.000
181	181	VAL	0	-0.033	-0.024	14.982	-0.030	-0.030	0.000	0.000	0.000	0.000
182	182	VAL	0	0.002	-0.002	17.425	0.022	0.022	0.000	0.000	0.000	0.000
183	183	LEU	0	-0.005	-0.002	15.974	-0.038	-0.038	0.000	0.000	0.000	0.000
184	184	LEU	0	0.002	0.003	18.204	0.031	0.031	0.000	0.000	0.000	0.000
185	185	SER	0	-0.034	-0.050	18.525	-0.040	-0.040	0.000	0.000	0.000	0.000
186	186	ALA	0	0.049	0.039	20.529	0.026	0.026	0.000	0.000	0.000	0.000
187	187	THR	0	-0.030	-0.024	20.251	0.023	0.023	0.000	0.000	0.000	0.000
188	188	MET	0	-0.022	-0.017	20.644	-0.018	-0.018	0.000	0.000	0.000	0.000
189	189	PRO	0	0.068	0.048	19.367	0.023	0.023	0.000	0.000	0.000	0.000
190	190	SER	0	0.004	-0.018	22.337	0.003	0.003	0.000	0.000	0.000	0.000
191	191	ASP	-1	-0.864	-0.928	19.565	-0.154	-0.154	0.000	0.000	0.000	0.000
192	192	VAL	0	-0.021	-0.005	17.144	0.004	0.004	0.000	0.000	0.000	0.000
193	193	LEU	0	-0.022	-0.020	19.323	0.012	0.012	0.000	0.000	0.000	0.000
194	194	GLU	-1	-0.965	-0.966	21.543	-0.046	-0.046	0.000	0.000	0.000	0.000
195	195	VAL	0	-0.032	-0.023	15.201	0.018	0.018	0.000	0.000	0.000	0.000
196	196	THR	0	-0.002	-0.026	17.523	0.016	0.016	0.000	0.000	0.000	0.000
197	197	LYS	1	0.900	0.958	18.511	0.081	0.081	0.000	0.000	0.000	0.000
198	198	LYS	1	0.907	0.973	15.579	0.037	0.037	0.000	0.000	0.000	0.000
199	199	PHE	0	-0.011	-0.007	14.169	0.016	0.016	0.000	0.000	0.000	0.000
200	200	MET	0	-0.044	-0.002	17.069	-0.003	-0.003	0.000	0.000	0.000	0.000
201	201	ARG	1	0.795	0.857	17.325	0.086	0.086	0.000	0.000	0.000	0.000
202	202	ASP	-1	-0.941	-0.960	22.462	-0.034	-0.034	0.000	0.000	0.000	0.000
203	203	PRO	0	-0.031	-0.007	21.800	-0.002	-0.002	0.000	0.000	0.000	0.000
204	204	ILE	0	0.005	0.002	24.376	0.005	0.005	0.000	0.000	0.000	0.000
205	205	ARG	1	0.935	0.962	24.899	0.091	0.091	0.000	0.000	0.000	0.000
206	206	ILE	0	-0.022	-0.001	26.695	0.010	0.010	0.000	0.000	0.000	0.000
207	207	LEU	0	-0.014	-0.015	25.820	-0.013	-0.013	0.000	0.000	0.000	0.000
208	208	VAL	0	-0.001	-0.005	28.203	0.009	0.009	0.000	0.000	0.000	0.000
209	209	LYS	1	0.926	0.966	29.095	0.092	0.092	0.000	0.000	0.000	0.000
210	210	LYS	1	0.941	0.966	27.709	0.141	0.141	0.000	0.000	0.000	0.000
211	211	GLU	-1	-0.861	-0.932	30.371	-0.129	-0.129	0.000	0.000	0.000	0.000
212	212	GLU	-1	-0.952	-0.962	32.432	-0.130	-0.130	0.000	0.000	0.000	0.000
213	213	LEU	0	-0.095	-0.044	26.324	-0.005	-0.005	0.000	0.000	0.000	0.000
214	214	THR	0	-0.014	-0.012	29.795	-0.011	-0.011	0.000	0.000	0.000	0.000
215	215	LEU	0	-0.024	-0.012	28.289	0.001	0.001	0.000	0.000	0.000	0.000
216	216	GLU	-1	-0.932	-0.969	32.771	-0.128	-0.128	0.000	0.000	0.000	0.000
217	217	GLY	0	-0.001	0.013	35.416	0.006	0.006	0.000	0.000	0.000	0.000
218	218	ILE	0	-0.055	-0.036	31.162	0.000	0.000	0.000	0.000	0.000	0.000
219	219	ARG	1	0.842	0.916	35.125	0.137	0.137	0.000	0.000	0.000	0.000
220	220	GLN	0	0.010	0.000	33.278	-0.018	-0.018	0.000	0.000	0.000	0.000
221	221	PHE	0	0.050	0.018	35.763	0.008	0.008	0.000	0.000	0.000	0.000
222	222	TYR	0	-0.027	-0.015	35.368	-0.011	-0.011	0.000	0.000	0.000	0.000
223	223	ILE	0	0.055	0.023	36.381	0.007	0.007	0.000	0.000	0.000	0.000
224	224	ASN	0	-0.036	-0.019	36.895	-0.003	-0.003	0.000	0.000	0.000	0.000
225	225	VAL	0	0.034	0.020	35.212	0.005	0.005	0.000	0.000	0.000	0.000
226	226	GLU	-1	-0.904	-0.933	38.378	-0.094	-0.094	0.000	0.000	0.000	0.000
227	227	ARG	1	0.844	0.887	36.036	0.101	0.101	0.000	0.000	0.000	0.000
228	228	GLU	-1	-0.722	-0.844	29.975	-0.189	-0.189	0.000	0.000	0.000	0.000
229	229	GLU	-1	-0.879	-0.933	33.865	-0.120	-0.120	0.000	0.000	0.000	0.000
230	230	TRP	0	-0.022	-0.004	36.005	0.000	0.000	0.000	0.000	0.000	0.000
231	231	LYS	1	0.825	0.915	28.892	0.194	0.194	0.000	0.000	0.000	0.000
232	232	LEU	0	0.011	0.002	33.298	-0.004	-0.004	0.000	0.000	0.000	0.000
233	233	ASP	-1	-0.791	-0.897	34.876	-0.124	-0.124	0.000	0.000	0.000	0.000
234	234	THR	0	0.004	0.012	37.027	0.004	0.004	0.000	0.000	0.000	0.000
235	235	LEU	0	-0.031	-0.020	31.837	-0.001	-0.001	0.000	0.000	0.000	0.000
236	236	CYS	0	-0.100	-0.045	35.985	-0.001	-0.001	0.000	0.000	0.000	0.000
237	237	ASP	-1	-0.943	-0.957	38.504	-0.111	-0.111	0.000	0.000	0.000	0.000
238	238	LEU	0	0.002	0.009	35.394	0.001	0.001	0.000	0.000	0.000	0.000
239	239	TYR	0	0.019	-0.001	36.332	-0.003	-0.003	0.000	0.000	0.000	0.000
240	240	GLU	-1	-0.841	-0.903	38.995	-0.115	-0.115	0.000	0.000	0.000	0.000
241	241	THR	0	-0.015	-0.024	37.531	-0.005	-0.005	0.000	0.000	0.000	0.000
242	242	LEU	0	-0.009	-0.011	32.916	-0.007	-0.007	0.000	0.000	0.000	0.000
243	243	THR	0	-0.074	-0.035	36.297	-0.004	-0.004	0.000	0.000	0.000	0.000
244	244	ILE	0	-0.023	-0.014	39.170	-0.001	-0.001	0.000	0.000	0.000	0.000
245	245	THR	0	-0.036	-0.014	35.479	-0.003	-0.003	0.000	0.000	0.000	0.000
246	246	GLN	0	-0.036	-0.011	29.043	0.008	0.008	0.000	0.000	0.000	0.000
247	247	ALA	0	-0.001	-0.009	30.895	0.000	0.000	0.000	0.000	0.000	0.000
248	248	VAL	0	-0.022	-0.008	24.234	-0.011	-0.011	0.000	0.000	0.000	0.000
249	249	ILE	0	-0.006	0.000	26.701	0.013	0.013	0.000	0.000	0.000	0.000
250	250	PHE	0	0.029	0.012	20.750	-0.019	-0.019	0.000	0.000	0.000	0.000
251	251	ILE	0	-0.035	-0.020	22.461	0.028	0.028	0.000	0.000	0.000	0.000
252	252	ASN	0	0.024	0.001	20.927	-0.041	-0.041	0.000	0.000	0.000	0.000
253	253	THR	0	-0.044	-0.003	19.129	-0.016	-0.016	0.000	0.000	0.000	0.000
254	254	ARG	1	0.930	0.944	11.370	0.861	0.861	0.000	0.000	0.000	0.000
255	255	ARG	1	0.964	0.976	19.042	0.329	0.329	0.000	0.000	0.000	0.000
256	256	LYS	1	0.795	0.881	21.828	0.252	0.252	0.000	0.000	0.000	0.000
257	257	VAL	0	0.019	0.016	21.104	0.020	0.020	0.000	0.000	0.000	0.000
258	258	ASP	-1	-0.938	-0.963	22.802	-0.267	-0.267	0.000	0.000	0.000	0.000
259	259	TRP	0	0.010	0.020	24.594	0.023	0.023	0.000	0.000	0.000	0.000
260	260	LEU	0	-0.029	-0.023	27.265	0.014	0.014	0.000	0.000	0.000	0.000
261	261	THR	0	-0.002	-0.016	26.388	0.012	0.012	0.000	0.000	0.000	0.000
262	262	GLU	-1	-0.901	-0.931	28.888	-0.184	-0.184	0.000	0.000	0.000	0.000
263	263	LYS	1	0.889	0.934	30.676	0.178	0.178	0.000	0.000	0.000	0.000
264	264	MET	0	-0.016	-0.015	32.360	0.014	0.014	0.000	0.000	0.000	0.000
265	265	HIS	0	-0.013	-0.007	30.198	0.010	0.010	0.000	0.000	0.000	0.000
266	266	ALA	0	-0.047	-0.011	34.644	0.009	0.009	0.000	0.000	0.000	0.000
267	267	ARG	1	0.736	0.843	36.910	0.141	0.141	0.000	0.000	0.000	0.000
268	268	ASP	-1	-0.903	-0.933	38.398	-0.119	-0.119	0.000	0.000	0.000	0.000
269	269	PHE	0	-0.035	-0.016	35.802	0.001	0.001	0.000	0.000	0.000	0.000
270	270	THR	0	-0.018	-0.011	34.373	-0.006	-0.006	0.000	0.000	0.000	0.000
271	271	VAL	0	-0.028	-0.030	29.544	0.001	0.001	0.000	0.000	0.000	0.000
272	272	SER	0	-0.005	0.009	27.107	-0.009	-0.009	0.000	0.000	0.000	0.000
273	273	ALA	0	0.037	0.014	24.441	0.003	0.003	0.000	0.000	0.000	0.000
274	274	MET	0	-0.045	-0.022	18.641	-0.026	-0.026	0.000	0.000	0.000	0.000
275	275	HIS	0	0.036	0.005	17.336	-0.041	-0.041	0.000	0.000	0.000	0.000
276	276	GLY	0	0.036	0.001	13.404	-0.001	-0.001	0.000	0.000	0.000	0.000
277	277	ASP	-1	-0.994	-1.004	12.890	-0.804	-0.804	0.000	0.000	0.000	0.000
278	278	MET	0	-0.027	0.030	14.634	0.033	0.033	0.000	0.000	0.000	0.000
279	279	ASP	-1	-0.838	-0.927	15.287	-0.604	-0.604	0.000	0.000	0.000	0.000
280	280	GLN	0	-0.007	-0.009	13.532	-0.090	-0.090	0.000	0.000	0.000	0.000
281	281	LYS	1	0.901	0.938	15.976	0.495	0.495	0.000	0.000	0.000	0.000
282	282	GLU	-1	-0.884	-0.935	19.319	-0.315	-0.315	0.000	0.000	0.000	0.000
283	283	ARG	1	0.798	0.840	11.680	1.044	1.044	0.000	0.000	0.000	0.000
284	284	ASP	-1	-0.890	-0.923	19.021	-0.386	-0.386	0.000	0.000	0.000	0.000
285	285	VAL	0	-0.035	-0.022	20.945	0.033	0.033	0.000	0.000	0.000	0.000
286	286	ILE	0	0.039	0.028	21.760	0.026	0.026	0.000	0.000	0.000	0.000
287	287	MET	0	0.006	0.006	21.563	0.034	0.034	0.000	0.000	0.000	0.000
288	288	ARG	1	0.862	0.933	23.628	0.329	0.329	0.000	0.000	0.000	0.000
289	289	GLU	-1	-0.812	-0.882	26.502	-0.196	-0.196	0.000	0.000	0.000	0.000
290	290	PHE	0	0.024	0.022	26.053	0.011	0.011	0.000	0.000	0.000	0.000
291	291	ARG	1	0.871	0.928	25.334	0.294	0.294	0.000	0.000	0.000	0.000
292	292	SER	0	-0.071	-0.047	28.620	0.016	0.016	0.000	0.000	0.000	0.000
293	293	GLY	0	-0.026	-0.005	31.423	0.013	0.013	0.000	0.000	0.000	0.000
294	294	SER	0	-0.094	-0.041	31.806	0.013	0.013	0.000	0.000	0.000	0.000
295	295	SER	0	0.006	-0.001	28.650	0.006	0.006	0.000	0.000	0.000	0.000
296	296	ARG	1	0.961	0.981	31.820	0.163	0.163	0.000	0.000	0.000	0.000
297	297	VAL	0	0.022	0.000	30.137	-0.002	-0.002	0.000	0.000	0.000	0.000
298	298	LEU	0	-0.004	0.001	23.050	-0.003	-0.003	0.000	0.000	0.000	0.000
299	299	ILE	0	0.026	0.014	24.586	-0.006	-0.006	0.000	0.000	0.000	0.000
300	300	THR	0	-0.026	-0.033	19.924	-0.034	-0.034	0.000	0.000	0.000	0.000
301	301	THR	0	0.028	0.005	16.313	0.037	0.037	0.000	0.000	0.000	0.000
302	302	ASP	-1	-0.800	-0.885	16.612	-0.415	-0.415	0.000	0.000	0.000	0.000
303	303	LEU	0	-0.004	0.014	13.241	-0.035	-0.035	0.000	0.000	0.000	0.000
304	304	LEU	0	-0.006	-0.019	15.627	-0.007	-0.007	0.000	0.000	0.000	0.000
305	305	ALA	0	0.021	0.022	18.274	0.050	0.050	0.000	0.000	0.000	0.000
306	306	ARG	1	0.823	0.871	15.489	0.497	0.497	0.000	0.000	0.000	0.000
307	307	GLY	0	0.023	0.008	18.777	-0.023	-0.023	0.000	0.000	0.000	0.000
308	308	ILE	0	0.010	0.021	18.378	0.023	0.023	0.000	0.000	0.000	0.000
309	309	ASP	-1	-0.888	-0.938	21.745	-0.254	-0.254	0.000	0.000	0.000	0.000
310	310	VAL	0	-0.032	-0.012	24.943	0.015	0.015	0.000	0.000	0.000	0.000
311	311	GLN	0	0.063	0.016	27.370	0.006	0.006	0.000	0.000	0.000	0.000
312	312	GLN	0	-0.070	-0.041	30.910	0.013	0.013	0.000	0.000	0.000	0.000
313	313	VAL	0	-0.019	0.014	27.641	0.006	0.006	0.000	0.000	0.000	0.000
314	314	SER	0	-0.016	-0.006	31.031	0.004	0.004	0.000	0.000	0.000	0.000
315	315	LEU	0	0.015	0.011	32.532	0.002	0.002	0.000	0.000	0.000	0.000
316	316	VAL	0	0.002	0.003	27.300	-0.014	-0.014	0.000	0.000	0.000	0.000
317	317	ILE	0	0.014	0.004	29.145	0.014	0.014	0.000	0.000	0.000	0.000
318	318	ASN	0	-0.005	-0.007	26.518	-0.039	-0.039	0.000	0.000	0.000	0.000
319	319	TYR	0	0.077	0.023	27.892	0.017	0.017	0.000	0.000	0.000	0.000
320	320	ASP	-1	-0.761	-0.867	24.950	-0.239	-0.239	0.000	0.000	0.000	0.000
321	321	LEU	0	0.034	0.021	26.218	-0.013	-0.013	0.000	0.000	0.000	0.000
322	322	PRO	0	-0.057	0.001	22.924	-0.006	-0.006	0.000	0.000	0.000	0.000
323	323	THR	0	0.048	0.010	21.312	0.011	0.011	0.000	0.000	0.000	0.000
324	324	ASN	0	-0.030	-0.014	17.489	0.043	0.043	0.000	0.000	0.000	0.000
325	325	ARG	1	1.001	0.987	21.701	0.163	0.163	0.000	0.000	0.000	0.000
326	326	GLU	-1	-0.874	-0.931	21.002	-0.243	-0.243	0.000	0.000	0.000	0.000
327	327	ASN	0	-0.060	-0.050	19.841	-0.018	-0.018	0.000	0.000	0.000	0.000
328	328	TYR	0	0.009	0.006	21.526	-0.011	-0.011	0.000	0.000	0.000	0.000
329	329	ILE	0	0.023	0.012	24.265	0.001	0.001	0.000	0.000	0.000	0.000
330	330	HIS	0	-0.056	-0.020	20.213	-0.004	-0.004	0.000	0.000	0.000	0.000
331	331	ARG	1	0.829	0.884	21.123	0.333	0.333	0.000	0.000	0.000	0.000
332	332	ILE	0	0.037	0.011	23.824	0.003	0.003	0.000	0.000	0.000	0.000
333	333	GLY	0	0.007	0.025	25.867	0.013	0.013	0.000	0.000	0.000	0.000
334	334	ARG	1	0.753	0.856	22.364	0.340	0.340	0.000	0.000	0.000	0.000
335	335	GLY	0	0.026	0.013	26.268	0.006	0.006	0.000	0.000	0.000	0.000
336	336	GLY	0	0.017	0.004	30.101	-0.001	-0.001	0.000	0.000	0.000	0.000
337	337	ARG	1	0.820	0.941	26.700	0.260	0.260	0.000	0.000	0.000	0.000
338	338	PHE	0	-0.027	-0.032	30.849	0.012	0.012	0.000	0.000	0.000	0.000
339	339	GLY	0	0.001	0.003	32.776	0.009	0.009	0.000	0.000	0.000	0.000
340	340	ARG	1	0.861	0.944	34.401	0.179	0.179	0.000	0.000	0.000	0.000
341	341	LYS	1	0.951	0.981	35.598	0.125	0.125	0.000	0.000	0.000	0.000
342	342	GLY	0	0.081	0.034	34.369	-0.004	-0.004	0.000	0.000	0.000	0.000
343	343	VAL	0	-0.063	-0.018	34.412	0.010	0.010	0.000	0.000	0.000	0.000
344	344	ALA	0	0.017	0.010	31.244	-0.013	-0.013	0.000	0.000	0.000	0.000
345	345	ILE	0	0.032	0.019	32.630	0.011	0.011	0.000	0.000	0.000	0.000
346	346	ASN	0	-0.007	-0.003	30.689	-0.025	-0.025	0.000	0.000	0.000	0.000
347	347	MET	0	-0.027	-0.013	31.679	0.007	0.007	0.000	0.000	0.000	0.000
348	348	VAL	0	-0.016	-0.010	32.148	-0.006	-0.006	0.000	0.000	0.000	0.000
349	349	THR	0	-0.041	-0.041	32.278	0.011	0.011	0.000	0.000	0.000	0.000
350	350	GLU	-1	-0.796	-0.901	34.770	-0.100	-0.100	0.000	0.000	0.000	0.000
351	351	GLU	-1	-0.935	-0.975	31.576	-0.110	-0.110	0.000	0.000	0.000	0.000
352	352	ASP	-1	-0.861	-0.895	29.814	-0.177	-0.177	0.000	0.000	0.000	0.000
353	353	LYS	1	0.823	0.895	31.820	0.097	0.097	0.000	0.000	0.000	0.000
354	354	ARG	1	0.827	0.903	31.464	0.120	0.120	0.000	0.000	0.000	0.000
355	355	THR	0	0.060	0.024	27.119	0.001	0.001	0.000	0.000	0.000	0.000
356	356	LEU	0	0.032	0.026	29.704	-0.009	-0.009	0.000	0.000	0.000	0.000
357	357	ARG	1	0.875	0.935	32.207	0.107	0.107	0.000	0.000	0.000	0.000
358	358	ASP	-1	-0.851	-0.915	28.823	-0.136	-0.136	0.000	0.000	0.000	0.000
359	359	ILE	0	-0.003	-0.005	27.517	-0.004	-0.004	0.000	0.000	0.000	0.000
360	360	GLU	-1	-0.811	-0.901	30.000	-0.119	-0.119	0.000	0.000	0.000	0.000
361	361	THR	0	-0.080	-0.060	33.087	0.003	0.003	0.000	0.000	0.000	0.000
362	362	PHE	0	-0.070	-0.025	25.137	0.006	0.006	0.000	0.000	0.000	0.000
363	363	TYR	0	-0.003	-0.034	25.867	-0.003	-0.003	0.000	0.000	0.000	0.000
364	364	ASN	0	-0.071	-0.027	32.123	0.004	0.004	0.000	0.000	0.000	0.000
365	365	THR	0	-0.008	0.000	33.558	0.003	0.003	0.000	0.000	0.000	0.000
366	366	SER	0	-0.053	-0.044	36.561	0.003	0.003	0.000	0.000	0.000	0.000
367	367	ILE	0	-0.060	-0.025	32.981	-0.008	-0.008	0.000	0.000	0.000	0.000
368	368	GLU	-1	-0.831	-0.886	37.609	-0.101	-0.101	0.000	0.000	0.000	0.000
369	369	GLU	-1	-0.945	-0.976	39.817	-0.105	-0.105	0.000	0.000	0.000	0.000
370	370	MET	0	-0.036	-0.010	39.633	-0.003	-0.003	0.000	0.000	0.000	0.000
371	371	PRO	0	-0.009	0.003	41.585	0.004	0.004	0.000	0.000	0.000	0.000
372	372	LEU	0	-0.034	-0.023	44.572	-0.002	-0.002	0.000	0.000	0.000	0.000
373	373	ASN	0	-0.001	-0.013	45.353	-0.003	-0.003	0.000	0.000	0.000	0.000
374	374	VAL	0	0.018	0.000	39.348	0.000	0.000	0.000	0.000	0.000	0.000
375	375	ALA	0	0.022	-0.009	42.108	-0.003	-0.003	0.000	0.000	0.000	0.000
376	376	ASP	-1	-0.903	-0.931	43.054	-0.098	-0.098	0.000	0.000	0.000	0.000
377	377	LEU	0	-0.114	-0.048	41.076	0.001	0.001	0.000	0.000	0.000	0.000
378	378	ILE	-1	-0.947	-0.961	38.321	-0.137	-0.137	0.000	0.000	0.000	0.000
379	379	A	0	-0.374	-0.307	18.581	-0.015	-0.015	0.000	0.000	0.000	0.000
380	379	A	-1	-0.522	-0.626	15.578	-0.070	-0.070	0.000	0.000	0.000	0.000
381	380	G	0	-0.369	-0.321	16.715	-0.019	-0.019	0.000	0.000	0.000	0.000
382	380	G	-1	-0.532	-0.623	15.992	-0.190	-0.190	0.000	0.000	0.000	0.000
383	381	A	0	-0.349	-0.296	14.935	-0.026	-0.026	0.000	0.000	0.000	0.000
384	381	A	-1	-0.595	-0.675	16.533	-0.313	-0.313	0.000	0.000	0.000	0.000
385	382	G	0	-0.355	-0.311	12.146	-0.028	-0.028	0.000	0.000	0.000	0.000
386	382	G	-1	-0.531	-0.666	15.450	-0.492	-0.492	0.000	0.000	0.000	0.000
387	383	A	0	-0.345	-0.305	8.629	-0.100	-0.100	0.000	0.000	0.000	0.000
388	383	A	-1	-0.443	-0.584	11.241	-0.774	-0.774	0.000	0.000	0.000	0.000
389	384	G	0	-0.401	-0.326	5.450	-0.110	-0.110	0.000	0.000	0.000	0.000
390	384	G	-1	-0.456	-0.569	7.576	-1.191	-1.191	0.000	0.000	0.000	0.000
395	387	G	0	-0.330	-0.292	5.723	-0.414	-0.414	0.000	0.000	0.000	0.000
396	387	G	-1	-0.655	-0.697	7.222	-0.175	-0.175	0.000	0.000	0.000	0.000
397	388	G	0	-0.377	-0.311	7.371	0.296	0.296	0.000	0.000	0.000	0.000
398	388	G	0	0.318	0.250	9.987	0.070	0.070	0.000	0.000	0.000	0.000

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