FMO DATABASE

FMODB ID: G6JJ1

Calculation Name: 6XKI-A-MD433-85ns

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	-7588067.58009
FMO2-HF: Nuclear repulsion	7419013.623268
FMO2-HF: Total energy	-169053.956822
FMO2-MP2: Total energy	-169531.176587

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.
-304.474425	-256.751989	49.172780	-22.850519	-74.044697	0.082702

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.
-53.187	-20.736	35.878	-16.619	-51.71	-0.043

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 : -0.057 / q_NPA : -0.014

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	0.027	-0.001	3.965	-0.498	-0.028	0.009	-0.093	-0.387	0.000
132	132	GLY	0	0.036	0.023	2.529	-2.961	-0.019	2.638	-2.456	-3.124	-0.005
133	133	ARG	1	0.837	0.879	2.648	-1.090	0.065	0.685	0.250	-2.090	-0.015
134	134	VAL	0	0.016	0.006	5.218	-0.209	-0.044	-0.001	-0.012	-0.152	0.000
135	135	PHE	0	0.013	-0.003	2.404	-11.200	-5.605	14.879	-5.053	-15.420	0.005
136	136	ASP	-1	-0.804	-0.856	2.460	-6.402	-3.165	0.988	-1.614	-2.612	-0.004
137	137	MET	0	-0.032	-0.022	3.149	1.158	0.990	0.050	0.496	-0.377	0.000
139	139	ASN	0	-0.059	-0.019	2.590	-0.022	0.375	2.712	-0.729	-2.380	-0.001
140	140	ARG	1	0.827	0.907	4.535	1.179	1.338	-0.001	-0.018	-0.141	0.000
166	166	ASP	-1	-0.923	-0.957	4.676	-0.141	-0.078	-0.001	-0.007	-0.054	0.000
167	167	GLN	0	0.025	0.011	2.671	-7.800	-3.908	6.417	-3.282	-7.028	0.006
168	168	ILE	0	-0.001	-0.005	3.296	-2.392	-2.211	0.071	0.943	-1.194	-0.002
170	170	ASP	-1	-0.866	-0.928	2.396	-5.732	-2.252	1.590	-1.918	-3.152	-0.018
171	171	ILE	0	-0.061	-0.039	3.181	-0.092	0.908	0.048	-0.167	-0.881	0.000
172	172	PHE	0	-0.036	-0.018	5.067	0.415	0.425	-0.001	-0.004	-0.005	0.000
391	385	A	0	-0.317	-0.280	3.266	-1.564	-0.852	0.037	-0.200	-0.548	-0.001
392	385	A	-1	-0.463	-0.586	3.023	-2.449	-1.567	0.029	-0.223	-0.689	-0.001
393	386	A	0	-0.354	-0.300	3.079	-8.294	-0.739	5.565	-2.297	-10.823	-0.008
394	386	A	-1	-0.552	-0.654	2.859	-1.668	-0.944	0.164	-0.235	-0.653	0.001
1	1	GLU	0	-0.141	-0.085	35.369	0.004	0.004	0.000	0.000	0.000	0.000
2	2	ILE	0	0.008	-0.001	36.423	-0.001	-0.001	0.000	0.000	0.000	0.000
3	3	VAL	0	0.041	0.029	35.907	0.002	0.002	0.000	0.000	0.000	0.000
4	4	ASP	-1	-0.917	-0.968	37.311	-0.031	-0.031	0.000	0.000	0.000	0.000
5	5	SER	0	0.072	0.031	39.028	-0.004	-0.004	0.000	0.000	0.000	0.000
6	6	PHE	0	0.021	-0.019	32.613	0.002	0.002	0.000	0.000	0.000	0.000
7	7	ASP	-1	-0.927	-0.959	36.603	-0.028	-0.028	0.000	0.000	0.000	0.000
8	8	ASP	-1	-0.841	-0.909	39.419	-0.021	-0.021	0.000	0.000	0.000	0.000
9	9	MET	0	-0.200	-0.093	33.748	0.001	0.001	0.000	0.000	0.000	0.000
10	10	ASN	0	-0.058	-0.031	35.266	0.003	0.003	0.000	0.000	0.000	0.000
11	11	LEU	0	-0.018	0.000	31.638	0.001	0.001	0.000	0.000	0.000	0.000
12	12	SER	0	0.042	0.018	33.119	0.001	0.001	0.000	0.000	0.000	0.000
13	13	GLU	-1	-0.837	-0.924	35.046	-0.033	-0.033	0.000	0.000	0.000	0.000
14	14	SER	0	-0.040	-0.025	34.178	-0.003	-0.003	0.000	0.000	0.000	0.000
15	15	LEU	0	0.033	0.014	29.222	-0.006	-0.006	0.000	0.000	0.000	0.000
16	16	LEU	0	0.000	0.002	32.760	-0.006	-0.006	0.000	0.000	0.000	0.000
17	17	ARG	1	0.900	0.962	35.681	0.055	0.055	0.000	0.000	0.000	0.000
18	18	GLY	0	0.034	0.009	32.546	-0.003	-0.003	0.000	0.000	0.000	0.000
19	19	ILE	0	-0.031	-0.013	31.597	-0.006	-0.006	0.000	0.000	0.000	0.000
20	20	TYR	0	0.005	-0.007	33.506	-0.003	-0.003	0.000	0.000	0.000	0.000
21	21	ALA	0	-0.038	-0.014	35.089	-0.001	-0.001	0.000	0.000	0.000	0.000
22	22	TYR	0	-0.036	-0.013	27.347	-0.009	-0.009	0.000	0.000	0.000	0.000
23	23	GLY	0	-0.026	-0.008	33.551	-0.003	-0.003	0.000	0.000	0.000	0.000
24	24	PHE	0	-0.093	-0.038	29.838	0.001	0.001	0.000	0.000	0.000	0.000
25	25	GLU	-1	-0.889	-0.954	35.926	-0.045	-0.045	0.000	0.000	0.000	0.000
26	26	LYS	1	0.934	0.958	37.765	0.046	0.046	0.000	0.000	0.000	0.000
27	27	PRO	0	0.013	0.032	34.043	-0.004	-0.004	0.000	0.000	0.000	0.000
28	28	SER	0	0.034	0.027	32.594	0.003	0.003	0.000	0.000	0.000	0.000
29	29	ALA	0	0.037	-0.004	34.096	0.002	0.002	0.000	0.000	0.000	0.000
30	30	ILE	0	-0.001	0.002	28.048	0.004	0.004	0.000	0.000	0.000	0.000
31	31	GLN	0	0.033	-0.010	28.864	0.008	0.008	0.000	0.000	0.000	0.000
32	32	GLN	0	-0.037	-0.018	31.484	0.006	0.006	0.000	0.000	0.000	0.000
33	33	ARG	1	0.905	0.953	31.908	0.028	0.028	0.000	0.000	0.000	0.000
34	34	ALA	0	0.006	0.008	27.512	0.004	0.004	0.000	0.000	0.000	0.000
35	35	ILE	0	0.074	0.042	27.975	0.003	0.003	0.000	0.000	0.000	0.000
36	36	LEU	0	0.045	0.024	28.627	0.003	0.003	0.000	0.000	0.000	0.000
37	37	PRO	0	-0.075	-0.044	28.226	0.005	0.005	0.000	0.000	0.000	0.000
38	38	CYS	0	-0.007	0.002	24.367	0.004	0.004	0.000	0.000	0.000	0.000
39	39	ILE	0	0.042	0.028	25.236	0.004	0.004	0.000	0.000	0.000	0.000
40	40	LYS	1	0.873	0.935	27.613	-0.003	-0.003	0.000	0.000	0.000	0.000
41	41	GLY	0	0.044	0.039	24.489	0.008	0.008	0.000	0.000	0.000	0.000
42	42	TYR	0	-0.065	-0.034	23.554	0.006	0.006	0.000	0.000	0.000	0.000
43	43	ASP	-1	-0.793	-0.887	19.804	0.046	0.046	0.000	0.000	0.000	0.000
44	44	VAL	0	-0.077	-0.048	21.112	0.001	0.001	0.000	0.000	0.000	0.000
45	45	ILE	0	0.005	0.001	19.900	-0.007	-0.007	0.000	0.000	0.000	0.000
46	46	ALA	0	-0.020	-0.025	22.125	0.004	0.004	0.000	0.000	0.000	0.000
47	47	GLN	0	0.004	0.003	23.400	-0.002	-0.002	0.000	0.000	0.000	0.000
48	48	ALA	0	-0.005	-0.015	25.730	0.006	0.006	0.000	0.000	0.000	0.000
49	49	GLN	0	0.067	0.037	26.181	-0.006	-0.006	0.000	0.000	0.000	0.000
50	50	SER	0	0.046	0.010	23.451	0.006	0.006	0.000	0.000	0.000	0.000
51	51	GLY	0	0.000	0.002	26.089	-0.002	-0.002	0.000	0.000	0.000	0.000
52	52	THR	0	-0.055	-0.032	28.457	0.005	0.005	0.000	0.000	0.000	0.000
53	53	GLY	0	0.041	0.027	28.621	0.005	0.005	0.000	0.000	0.000	0.000
54	54	LYS	1	0.760	0.861	20.603	0.144	0.144	0.000	0.000	0.000	0.000
55	55	THR	0	0.021	-0.002	21.294	-0.003	-0.003	0.000	0.000	0.000	0.000
56	56	ALA	0	0.064	0.025	23.497	0.001	0.001	0.000	0.000	0.000	0.000
57	57	THR	0	0.009	0.023	25.387	0.007	0.007	0.000	0.000	0.000	0.000
58	58	PHE	0	0.032	0.025	19.156	0.011	0.011	0.000	0.000	0.000	0.000
59	59	ALA	0	0.012	0.015	22.888	0.006	0.006	0.000	0.000	0.000	0.000
60	60	ILE	0	0.016	0.002	23.735	0.006	0.006	0.000	0.000	0.000	0.000
61	61	SER	0	-0.040	-0.036	24.020	0.009	0.009	0.000	0.000	0.000	0.000
62	62	ILE	0	-0.011	0.009	19.625	0.009	0.009	0.000	0.000	0.000	0.000
63	63	LEU	0	-0.001	-0.019	23.481	0.008	0.008	0.000	0.000	0.000	0.000
64	64	GLN	0	0.030	0.028	26.154	-0.001	-0.001	0.000	0.000	0.000	0.000
65	65	GLN	0	-0.088	-0.046	23.722	0.013	0.013	0.000	0.000	0.000	0.000
66	66	ILE	0	-0.061	-0.016	22.273	0.005	0.005	0.000	0.000	0.000	0.000
67	67	GLU	-1	-0.921	-0.960	25.631	0.014	0.014	0.000	0.000	0.000	0.000
68	68	LEU	0	0.020	-0.016	26.084	-0.003	-0.003	0.000	0.000	0.000	0.000
69	69	ASP	-1	-0.905	-0.939	27.448	-0.019	-0.019	0.000	0.000	0.000	0.000
70	70	LEU	0	-0.116	-0.050	22.298	0.001	0.001	0.000	0.000	0.000	0.000
71	71	LYS	1	0.972	0.974	22.016	0.056	0.056	0.000	0.000	0.000	0.000
72	72	ALA	0	-0.020	-0.002	17.549	-0.017	-0.017	0.000	0.000	0.000	0.000
73	73	THR	0	-0.017	-0.012	15.749	0.005	0.005	0.000	0.000	0.000	0.000
74	74	GLN	0	0.002	-0.005	17.107	0.029	0.029	0.000	0.000	0.000	0.000
75	75	ALA	0	0.006	-0.001	16.890	0.019	0.019	0.000	0.000	0.000	0.000
76	76	LEU	0	-0.019	-0.002	9.250	-0.024	-0.024	0.000	0.000	0.000	0.000
77	77	VAL	0	-0.005	-0.002	13.712	0.024	0.024	0.000	0.000	0.000	0.000
78	78	LEU	0	0.018	0.000	7.685	-0.038	-0.038	0.000	0.000	0.000	0.000
79	79	ALA	0	0.013	0.004	10.811	0.033	0.033	0.000	0.000	0.000	0.000
80	80	PRO	0	0.020	0.011	9.753	-0.084	-0.084	0.000	0.000	0.000	0.000
81	81	THR	0	0.011	0.026	9.477	-0.156	-0.156	0.000	0.000	0.000	0.000
82	82	ARG	1	0.868	0.896	8.246	1.381	1.381	0.000	0.000	0.000	0.000
83	83	GLU	-1	-0.746	-0.858	12.364	-0.477	-0.477	0.000	0.000	0.000	0.000
84	84	LEU	0	-0.041	-0.019	14.574	0.050	0.050	0.000	0.000	0.000	0.000
85	85	ALA	0	0.008	0.001	12.466	0.044	0.044	0.000	0.000	0.000	0.000
86	86	GLN	0	0.037	0.001	14.636	0.046	0.046	0.000	0.000	0.000	0.000
87	87	GLN	0	-0.035	-0.008	17.787	0.029	0.029	0.000	0.000	0.000	0.000
88	88	ILE	0	0.034	0.014	15.911	0.027	0.027	0.000	0.000	0.000	0.000
89	89	GLN	0	0.011	-0.004	18.618	0.018	0.018	0.000	0.000	0.000	0.000
90	90	LYS	1	0.958	0.978	20.346	0.240	0.240	0.000	0.000	0.000	0.000
91	91	VAL	0	-0.015	0.008	23.083	0.015	0.015	0.000	0.000	0.000	0.000
92	92	VAL	0	0.006	-0.010	20.859	0.014	0.014	0.000	0.000	0.000	0.000
93	93	MET	0	-0.014	-0.001	23.442	0.011	0.011	0.000	0.000	0.000	0.000
94	94	ALA	0	-0.015	0.010	25.935	0.009	0.009	0.000	0.000	0.000	0.000
95	95	LEU	0	-0.042	-0.029	26.484	0.009	0.009	0.000	0.000	0.000	0.000
96	96	GLY	0	0.012	-0.010	27.357	0.010	0.010	0.000	0.000	0.000	0.000
97	97	ASP	-1	-0.947	-0.957	28.349	-0.095	-0.095	0.000	0.000	0.000	0.000
98	98	TYR	0	-0.014	-0.022	30.900	0.006	0.006	0.000	0.000	0.000	0.000
99	99	MET	0	-0.081	-0.030	28.847	0.004	0.004	0.000	0.000	0.000	0.000
100	100	GLY	0	0.008	0.018	30.453	0.004	0.004	0.000	0.000	0.000	0.000
101	101	ALA	0	-0.045	-0.012	25.599	-0.003	-0.003	0.000	0.000	0.000	0.000
102	102	SER	0	0.008	0.005	22.276	-0.014	-0.014	0.000	0.000	0.000	0.000
103	103	CYS	0	-0.046	-0.027	19.529	-0.001	-0.001	0.000	0.000	0.000	0.000
104	104	HIS	0	-0.016	-0.016	14.294	0.029	0.029	0.000	0.000	0.000	0.000
105	105	ALA	0	0.011	0.005	14.966	0.005	0.005	0.000	0.000	0.000	0.000
106	106	CYS	0	-0.077	-0.025	10.065	-0.003	-0.003	0.000	0.000	0.000	0.000
107	107	ILE	0	0.002	0.009	10.151	-0.051	-0.051	0.000	0.000	0.000	0.000
108	108	GLY	0	0.032	0.015	8.219	-0.009	-0.009	0.000	0.000	0.000	0.000
109	109	GLY	0	0.014	0.002	8.857	0.142	0.142	0.000	0.000	0.000	0.000
110	110	THR	0	-0.009	0.001	10.669	0.155	0.155	0.000	0.000	0.000	0.000
111	111	ASN	0	0.022	0.008	10.859	-0.056	-0.056	0.000	0.000	0.000	0.000
112	112	VAL	0	0.086	0.044	7.248	0.053	0.053	0.000	0.000	0.000	0.000
113	113	ARG	1	0.928	0.965	10.556	0.301	0.301	0.000	0.000	0.000	0.000
114	114	ALA	0	0.022	-0.001	13.132	0.043	0.043	0.000	0.000	0.000	0.000
115	115	GLU	-1	-0.745	-0.849	10.708	-0.579	-0.579	0.000	0.000	0.000	0.000
116	116	VAL	0	-0.014	-0.009	10.719	0.049	0.049	0.000	0.000	0.000	0.000
117	117	GLN	0	-0.064	-0.044	13.438	0.045	0.045	0.000	0.000	0.000	0.000
118	118	LYS	1	0.938	0.980	16.595	0.296	0.296	0.000	0.000	0.000	0.000
119	119	LEU	0	0.039	0.004	12.136	0.029	0.029	0.000	0.000	0.000	0.000
120	120	GLN	0	-0.019	0.004	16.471	0.026	0.026	0.000	0.000	0.000	0.000
121	121	MET	0	-0.098	-0.047	18.784	0.016	0.016	0.000	0.000	0.000	0.000
122	122	GLU	-1	-0.885	-0.955	19.391	-0.184	-0.184	0.000	0.000	0.000	0.000
123	123	ALA	0	-0.066	-0.008	19.867	0.011	0.011	0.000	0.000	0.000	0.000
124	124	PRO	0	0.016	0.021	17.006	0.011	0.011	0.000	0.000	0.000	0.000
125	125	HIS	0	0.076	0.037	19.369	0.000	0.000	0.000	0.000	0.000	0.000
126	126	ILE	0	-0.025	-0.021	17.725	0.014	0.014	0.000	0.000	0.000	0.000
127	127	ILE	0	0.002	0.005	12.469	-0.019	-0.019	0.000	0.000	0.000	0.000
128	128	VAL	0	0.011	0.005	13.996	0.022	0.022	0.000	0.000	0.000	0.000
129	129	GLY	0	0.011	-0.008	10.609	-0.029	-0.029	0.000	0.000	0.000	0.000
130	130	THR	0	-0.014	-0.013	7.221	0.132	0.132	0.000	0.000	0.000	0.000
138	138	LEU	0	-0.027	-0.009	5.747	0.213	0.213	0.000	0.000	0.000	0.000
141	141	ARG	1	0.904	0.954	7.365	-0.240	-0.240	0.000	0.000	0.000	0.000
142	142	TYR	0	0.002	-0.005	9.893	0.043	0.043	0.000	0.000	0.000	0.000
143	143	LEU	0	0.047	0.055	9.163	0.003	0.003	0.000	0.000	0.000	0.000
144	144	SER	0	0.009	-0.015	10.080	0.105	0.105	0.000	0.000	0.000	0.000
145	145	PRO	0	0.061	0.034	11.432	-0.055	-0.055	0.000	0.000	0.000	0.000
146	146	LYS	1	0.868	0.930	14.364	-0.193	-0.193	0.000	0.000	0.000	0.000
147	147	TYR	0	-0.017	-0.017	16.367	-0.012	-0.012	0.000	0.000	0.000	0.000
148	148	ILE	0	-0.013	0.014	12.802	-0.020	-0.020	0.000	0.000	0.000	0.000
149	149	LYS	1	0.960	0.983	16.584	-0.019	-0.019	0.000	0.000	0.000	0.000
150	150	MET	0	-0.012	0.016	17.660	0.007	0.007	0.000	0.000	0.000	0.000
151	151	PHE	0	0.015	-0.007	8.887	-0.016	-0.016	0.000	0.000	0.000	0.000
152	152	VAL	0	0.002	-0.003	14.467	0.010	0.010	0.000	0.000	0.000	0.000
153	153	LEU	0	0.014	0.009	10.448	-0.025	-0.025	0.000	0.000	0.000	0.000
154	154	ASP	-1	-0.765	-0.885	14.487	-0.135	-0.135	0.000	0.000	0.000	0.000
155	155	GLU	-1	-0.850	-0.924	15.094	-0.201	-0.201	0.000	0.000	0.000	0.000
156	156	ALA	0	0.006	-0.007	14.790	-0.006	-0.006	0.000	0.000	0.000	0.000
157	157	ASP	-1	-0.782	-0.852	14.851	-0.101	-0.101	0.000	0.000	0.000	0.000
158	158	GLU	-1	-0.889	-0.937	12.463	-0.238	-0.238	0.000	0.000	0.000	0.000
159	159	MET	0	-0.059	-0.007	8.620	0.000	0.000	0.000	0.000	0.000	0.000
160	160	LEU	0	-0.018	-0.018	10.700	0.070	0.070	0.000	0.000	0.000	0.000
161	161	SER	0	0.010	-0.004	12.008	0.010	0.010	0.000	0.000	0.000	0.000
162	162	ARG	1	0.765	0.843	11.159	0.095	0.095	0.000	0.000	0.000	0.000
163	163	GLY	0	0.077	0.056	8.935	0.077	0.077	0.000	0.000	0.000	0.000
164	164	PHE	0	-0.014	-0.004	5.997	-0.078	-0.078	0.000	0.000	0.000	0.000
165	165	LYS	1	0.945	0.987	7.176	0.279	0.279	0.000	0.000	0.000	0.000
169	169	TYR	0	-0.002	-0.018	6.051	-0.157	-0.157	0.000	0.000	0.000	0.000
173	173	GLN	0	-0.002	0.001	6.962	0.080	0.080	0.000	0.000	0.000	0.000
174	174	LYS	1	0.850	0.935	5.422	-2.734	-2.734	0.000	0.000	0.000	0.000
175	175	LEU	0	0.007	0.014	8.730	-0.035	-0.035	0.000	0.000	0.000	0.000
176	176	ASN	0	-0.002	-0.001	11.324	0.087	0.087	0.000	0.000	0.000	0.000
177	177	SER	0	0.023	0.028	15.023	-0.031	-0.031	0.000	0.000	0.000	0.000
178	178	ASN	0	-0.086	-0.043	16.871	-0.045	-0.045	0.000	0.000	0.000	0.000
179	179	THR	0	-0.022	-0.038	13.958	-0.006	-0.006	0.000	0.000	0.000	0.000
180	180	GLN	0	-0.016	0.004	17.130	-0.003	-0.003	0.000	0.000	0.000	0.000
181	181	VAL	0	-0.009	-0.007	14.483	-0.015	-0.015	0.000	0.000	0.000	0.000
182	182	VAL	0	-0.008	-0.012	16.978	0.003	0.003	0.000	0.000	0.000	0.000
183	183	LEU	0	-0.023	-0.006	15.180	-0.013	-0.013	0.000	0.000	0.000	0.000
184	184	LEU	0	-0.005	-0.006	18.270	0.007	0.007	0.000	0.000	0.000	0.000
185	185	SER	0	-0.006	-0.024	18.814	-0.018	-0.018	0.000	0.000	0.000	0.000
186	186	ALA	0	0.017	0.016	20.963	0.011	0.011	0.000	0.000	0.000	0.000
187	187	THR	0	-0.038	-0.027	20.923	0.005	0.005	0.000	0.000	0.000	0.000
188	188	MET	0	0.016	0.000	17.934	-0.003	-0.003	0.000	0.000	0.000	0.000
189	189	PRO	0	0.045	0.041	20.291	0.009	0.009	0.000	0.000	0.000	0.000
190	190	SER	0	-0.007	-0.004	21.698	0.007	0.007	0.000	0.000	0.000	0.000
191	191	ASP	-1	-0.842	-0.926	20.132	-0.001	-0.001	0.000	0.000	0.000	0.000
192	192	VAL	0	-0.044	-0.016	16.083	0.004	0.004	0.000	0.000	0.000	0.000
193	193	LEU	0	0.015	-0.009	17.813	0.006	0.006	0.000	0.000	0.000	0.000
194	194	GLU	-1	-0.968	-0.963	19.776	0.036	0.036	0.000	0.000	0.000	0.000
195	195	VAL	0	0.004	-0.009	13.123	0.011	0.011	0.000	0.000	0.000	0.000
196	196	THR	0	-0.034	-0.035	15.158	0.006	0.006	0.000	0.000	0.000	0.000
197	197	LYS	1	0.920	0.971	16.894	-0.041	-0.041	0.000	0.000	0.000	0.000
198	198	LYS	1	0.859	0.949	9.640	0.042	0.042	0.000	0.000	0.000	0.000
199	199	PHE	0	-0.012	-0.002	9.700	0.015	0.015	0.000	0.000	0.000	0.000
200	200	MET	0	-0.003	0.003	14.807	0.009	0.009	0.000	0.000	0.000	0.000
201	201	ARG	1	0.948	0.976	18.561	-0.098	-0.098	0.000	0.000	0.000	0.000
202	202	ASP	-1	-0.980	-0.990	21.733	0.048	0.048	0.000	0.000	0.000	0.000
203	203	PRO	0	0.024	0.027	21.723	0.000	0.000	0.000	0.000	0.000	0.000
204	204	ILE	0	-0.005	-0.006	24.222	-0.003	-0.003	0.000	0.000	0.000	0.000
205	205	ARG	1	0.940	0.971	24.622	-0.013	-0.013	0.000	0.000	0.000	0.000
206	206	ILE	0	-0.024	-0.010	26.404	0.001	0.001	0.000	0.000	0.000	0.000
207	207	LEU	0	0.015	0.005	25.081	-0.004	-0.004	0.000	0.000	0.000	0.000
208	208	VAL	0	-0.003	-0.004	28.457	0.003	0.003	0.000	0.000	0.000	0.000
209	209	LYS	1	0.942	0.966	29.802	0.024	0.024	0.000	0.000	0.000	0.000
210	210	LYS	1	0.836	0.895	30.381	0.036	0.036	0.000	0.000	0.000	0.000
211	211	GLU	-1	-0.815	-0.908	31.379	-0.041	-0.041	0.000	0.000	0.000	0.000
212	212	GLU	-1	-0.959	-0.968	33.294	-0.044	-0.044	0.000	0.000	0.000	0.000
213	213	LEU	0	-0.082	-0.033	27.121	-0.003	-0.003	0.000	0.000	0.000	0.000
214	214	THR	0	-0.002	0.000	29.983	-0.008	-0.008	0.000	0.000	0.000	0.000
215	215	LEU	0	-0.003	0.012	28.067	0.001	0.001	0.000	0.000	0.000	0.000
216	216	GLU	-1	-0.901	-0.941	32.430	-0.066	-0.066	0.000	0.000	0.000	0.000
217	217	GLY	0	-0.057	-0.043	35.016	-0.004	-0.004	0.000	0.000	0.000	0.000
218	218	ILE	0	-0.039	-0.017	30.691	-0.001	-0.001	0.000	0.000	0.000	0.000
219	219	ARG	1	0.755	0.868	34.889	0.080	0.080	0.000	0.000	0.000	0.000
220	220	GLN	0	0.024	0.015	32.992	-0.009	-0.009	0.000	0.000	0.000	0.000
221	221	PHE	0	0.065	0.024	35.316	0.004	0.004	0.000	0.000	0.000	0.000
222	222	TYR	0	-0.005	-0.007	35.177	-0.005	-0.005	0.000	0.000	0.000	0.000
223	223	ILE	0	0.059	0.024	36.348	0.004	0.004	0.000	0.000	0.000	0.000
224	224	ASN	0	-0.007	-0.010	36.706	-0.006	-0.006	0.000	0.000	0.000	0.000
225	225	VAL	0	0.018	0.003	34.842	0.001	0.001	0.000	0.000	0.000	0.000
226	226	GLU	-1	-0.928	-0.949	38.216	-0.056	-0.056	0.000	0.000	0.000	0.000
227	227	ARG	1	0.910	0.945	36.900	0.072	0.072	0.000	0.000	0.000	0.000
228	228	GLU	-1	-0.757	-0.860	30.224	-0.119	-0.119	0.000	0.000	0.000	0.000
229	229	GLU	-1	-0.988	-1.006	34.103	-0.087	-0.087	0.000	0.000	0.000	0.000
230	230	TRP	0	0.019	0.016	35.956	-0.001	-0.001	0.000	0.000	0.000	0.000
231	231	LYS	1	0.851	0.929	29.467	0.118	0.118	0.000	0.000	0.000	0.000
232	232	LEU	0	-0.005	0.006	33.943	-0.003	-0.003	0.000	0.000	0.000	0.000
233	233	ASP	-1	-0.782	-0.892	35.693	-0.085	-0.085	0.000	0.000	0.000	0.000
234	234	THR	0	-0.024	-0.005	37.066	0.004	0.004	0.000	0.000	0.000	0.000
235	235	LEU	0	-0.027	-0.027	32.199	0.000	0.000	0.000	0.000	0.000	0.000
236	236	CYS	0	-0.084	-0.054	36.249	-0.003	-0.003	0.000	0.000	0.000	0.000
237	237	ASP	-1	-0.890	-0.928	38.787	-0.074	-0.074	0.000	0.000	0.000	0.000
238	238	LEU	0	-0.037	-0.020	35.156	0.000	0.000	0.000	0.000	0.000	0.000
239	239	TYR	0	-0.021	-0.018	34.561	0.000	0.000	0.000	0.000	0.000	0.000
240	240	GLU	-1	-0.852	-0.923	37.906	-0.082	-0.082	0.000	0.000	0.000	0.000
241	241	THR	0	-0.063	-0.040	37.030	-0.001	-0.001	0.000	0.000	0.000	0.000
242	242	LEU	0	0.000	0.010	33.463	-0.001	-0.001	0.000	0.000	0.000	0.000
243	243	THR	0	-0.034	-0.026	37.173	-0.001	-0.001	0.000	0.000	0.000	0.000
244	244	ILE	0	-0.037	-0.009	39.718	0.002	0.002	0.000	0.000	0.000	0.000
245	245	THR	0	-0.084	-0.050	35.268	-0.002	-0.002	0.000	0.000	0.000	0.000
246	246	GLN	0	-0.008	-0.002	29.102	0.008	0.008	0.000	0.000	0.000	0.000
247	247	ALA	0	-0.003	-0.010	30.664	0.003	0.003	0.000	0.000	0.000	0.000
248	248	VAL	0	-0.012	-0.007	24.081	-0.009	-0.009	0.000	0.000	0.000	0.000
249	249	ILE	0	0.009	0.008	26.639	0.011	0.011	0.000	0.000	0.000	0.000
250	250	PHE	0	0.023	0.010	20.438	-0.017	-0.017	0.000	0.000	0.000	0.000
251	251	ILE	0	-0.032	-0.022	22.753	0.021	0.021	0.000	0.000	0.000	0.000
252	252	ASN	0	0.038	0.015	21.021	-0.028	-0.028	0.000	0.000	0.000	0.000
253	253	THR	0	-0.034	0.002	19.304	-0.013	-0.013	0.000	0.000	0.000	0.000
254	254	ARG	1	0.953	0.941	11.770	0.662	0.662	0.000	0.000	0.000	0.000
255	255	ARG	1	0.961	0.981	19.390	0.223	0.223	0.000	0.000	0.000	0.000
256	256	LYS	1	0.793	0.863	22.489	0.156	0.156	0.000	0.000	0.000	0.000
257	257	VAL	0	0.042	0.032	21.050	0.014	0.014	0.000	0.000	0.000	0.000
258	258	ASP	-1	-0.813	-0.874	22.524	-0.270	-0.270	0.000	0.000	0.000	0.000
259	259	TRP	0	-0.039	-0.022	24.974	0.018	0.018	0.000	0.000	0.000	0.000
260	260	LEU	0	-0.016	-0.017	27.542	0.011	0.011	0.000	0.000	0.000	0.000
261	261	THR	0	0.006	-0.017	26.453	0.010	0.010	0.000	0.000	0.000	0.000
262	262	GLU	-1	-0.915	-0.952	29.140	-0.147	-0.147	0.000	0.000	0.000	0.000
263	263	LYS	1	0.847	0.927	31.130	0.128	0.128	0.000	0.000	0.000	0.000
264	264	MET	0	-0.029	-0.017	31.708	0.006	0.006	0.000	0.000	0.000	0.000
265	265	HIS	0	0.033	0.020	32.374	0.001	0.001	0.000	0.000	0.000	0.000
266	266	ALA	0	-0.019	-0.006	34.371	0.006	0.006	0.000	0.000	0.000	0.000
267	267	ARG	1	0.736	0.854	37.096	0.100	0.100	0.000	0.000	0.000	0.000
268	268	ASP	-1	-0.948	-0.962	37.888	-0.102	-0.102	0.000	0.000	0.000	0.000
269	269	PHE	0	0.001	0.011	35.416	0.003	0.003	0.000	0.000	0.000	0.000
270	270	THR	0	0.005	0.002	34.596	-0.004	-0.004	0.000	0.000	0.000	0.000
271	271	VAL	0	-0.011	-0.006	29.625	0.001	0.001	0.000	0.000	0.000	0.000
272	272	SER	0	0.022	0.015	26.820	0.001	0.001	0.000	0.000	0.000	0.000
273	273	ALA	0	-0.002	0.002	24.104	0.002	0.002	0.000	0.000	0.000	0.000
274	274	MET	0	-0.028	-0.010	18.081	-0.001	-0.001	0.000	0.000	0.000	0.000
275	275	HIS	0	0.009	-0.022	17.010	-0.031	-0.031	0.000	0.000	0.000	0.000
276	276	GLY	0	-0.005	-0.027	12.935	-0.019	-0.019	0.000	0.000	0.000	0.000
277	277	ASP	-1	-0.982	-0.981	13.286	-0.560	-0.560	0.000	0.000	0.000	0.000
278	278	MET	0	-0.039	0.012	15.731	0.019	0.019	0.000	0.000	0.000	0.000
279	279	ASP	-1	-0.891	-0.954	15.651	-0.567	-0.567	0.000	0.000	0.000	0.000
280	280	GLN	0	-0.013	-0.025	13.781	-0.047	-0.047	0.000	0.000	0.000	0.000
281	281	LYS	1	0.895	0.937	16.137	0.371	0.371	0.000	0.000	0.000	0.000
282	282	GLU	-1	-0.890	-0.936	19.307	-0.259	-0.259	0.000	0.000	0.000	0.000
283	283	ARG	1	0.786	0.852	11.946	0.762	0.762	0.000	0.000	0.000	0.000
284	284	ASP	-1	-0.922	-0.954	19.057	-0.309	-0.309	0.000	0.000	0.000	0.000
285	285	VAL	0	-0.036	-0.027	20.418	0.033	0.033	0.000	0.000	0.000	0.000
286	286	ILE	0	0.022	0.015	21.580	0.024	0.024	0.000	0.000	0.000	0.000
287	287	MET	0	0.015	0.007	19.825	0.033	0.033	0.000	0.000	0.000	0.000
288	288	ARG	1	0.910	0.966	23.186	0.242	0.242	0.000	0.000	0.000	0.000
289	289	GLU	-1	-0.894	-0.936	25.735	-0.160	-0.160	0.000	0.000	0.000	0.000
290	290	PHE	0	-0.002	0.017	25.419	0.011	0.011	0.000	0.000	0.000	0.000
291	291	ARG	1	0.864	0.905	20.942	0.254	0.254	0.000	0.000	0.000	0.000
292	292	SER	0	-0.093	-0.054	27.238	0.013	0.013	0.000	0.000	0.000	0.000
293	293	GLY	0	-0.012	-0.003	30.285	0.010	0.010	0.000	0.000	0.000	0.000
294	294	SER	0	-0.014	0.000	31.853	0.011	0.011	0.000	0.000	0.000	0.000
295	295	SER	0	-0.022	0.005	28.315	0.005	0.005	0.000	0.000	0.000	0.000
296	296	ARG	1	0.884	0.927	30.741	0.110	0.110	0.000	0.000	0.000	0.000
297	297	VAL	0	0.020	-0.006	29.870	0.003	0.003	0.000	0.000	0.000	0.000
298	298	LEU	0	-0.005	0.011	22.749	-0.006	-0.006	0.000	0.000	0.000	0.000
299	299	ILE	0	-0.016	-0.007	24.168	0.008	0.008	0.000	0.000	0.000	0.000
300	300	THR	0	-0.019	-0.036	19.510	-0.031	-0.031	0.000	0.000	0.000	0.000
301	301	THR	0	0.037	-0.005	16.485	0.031	0.031	0.000	0.000	0.000	0.000
302	302	ASP	-1	-0.807	-0.887	16.468	-0.233	-0.233	0.000	0.000	0.000	0.000
303	303	LEU	0	-0.005	0.019	13.346	-0.009	-0.009	0.000	0.000	0.000	0.000
304	304	LEU	0	-0.015	-0.020	15.514	-0.006	-0.006	0.000	0.000	0.000	0.000
305	305	ALA	0	0.034	0.019	17.860	0.034	0.034	0.000	0.000	0.000	0.000
306	306	ARG	1	0.837	0.902	15.702	0.198	0.198	0.000	0.000	0.000	0.000
307	307	GLY	0	0.042	0.019	17.896	-0.024	-0.024	0.000	0.000	0.000	0.000
308	308	ILE	0	-0.046	-0.002	17.436	0.009	0.009	0.000	0.000	0.000	0.000
309	309	ASP	-1	-0.829	-0.903	20.823	-0.147	-0.147	0.000	0.000	0.000	0.000
310	310	VAL	0	-0.001	-0.010	24.522	-0.009	-0.009	0.000	0.000	0.000	0.000
311	311	GLN	0	0.020	0.020	26.974	0.007	0.007	0.000	0.000	0.000	0.000
312	312	GLN	0	0.084	0.028	30.528	0.003	0.003	0.000	0.000	0.000	0.000
313	313	VAL	0	-0.020	0.013	27.607	0.006	0.006	0.000	0.000	0.000	0.000
314	314	SER	0	-0.016	-0.006	30.763	0.003	0.003	0.000	0.000	0.000	0.000
315	315	LEU	0	0.041	0.026	32.532	0.001	0.001	0.000	0.000	0.000	0.000
316	316	VAL	0	-0.028	-0.013	26.665	-0.009	-0.009	0.000	0.000	0.000	0.000
317	317	ILE	0	0.018	0.011	28.727	0.009	0.009	0.000	0.000	0.000	0.000
318	318	ASN	0	0.013	0.002	26.134	-0.024	-0.024	0.000	0.000	0.000	0.000
319	319	TYR	0	0.061	0.022	27.733	0.011	0.011	0.000	0.000	0.000	0.000
320	320	ASP	-1	-0.801	-0.887	25.148	-0.145	-0.145	0.000	0.000	0.000	0.000
321	321	LEU	0	0.038	0.019	26.077	-0.008	-0.008	0.000	0.000	0.000	0.000
322	322	PRO	0	-0.031	0.016	22.806	0.000	0.000	0.000	0.000	0.000	0.000
323	323	THR	0	0.047	-0.010	24.103	0.012	0.012	0.000	0.000	0.000	0.000
324	324	ASN	0	-0.003	0.004	20.850	0.001	0.001	0.000	0.000	0.000	0.000
325	325	ARG	1	0.939	0.944	23.356	0.045	0.045	0.000	0.000	0.000	0.000
326	326	GLU	-1	-0.903	-0.931	21.890	-0.077	-0.077	0.000	0.000	0.000	0.000
327	327	ASN	0	-0.056	-0.047	18.879	0.001	0.001	0.000	0.000	0.000	0.000
328	328	TYR	0	0.017	-0.005	21.615	-0.011	-0.011	0.000	0.000	0.000	0.000
329	329	ILE	0	-0.002	0.005	24.428	-0.004	-0.004	0.000	0.000	0.000	0.000
330	330	HIS	0	-0.058	-0.041	20.759	-0.010	-0.010	0.000	0.000	0.000	0.000
331	331	ARG	1	0.812	0.882	20.665	0.188	0.188	0.000	0.000	0.000	0.000
332	332	ILE	0	0.003	-0.005	23.749	-0.001	-0.001	0.000	0.000	0.000	0.000
333	333	GLY	0	0.003	0.006	25.780	0.006	0.006	0.000	0.000	0.000	0.000
334	334	ARG	1	0.783	0.897	21.169	0.183	0.183	0.000	0.000	0.000	0.000
335	335	GLY	0	0.019	0.020	25.402	-0.001	-0.001	0.000	0.000	0.000	0.000
336	336	GLY	0	-0.006	-0.012	29.160	0.002	0.002	0.000	0.000	0.000	0.000
337	337	ARG	1	0.778	0.902	26.283	0.139	0.139	0.000	0.000	0.000	0.000
338	338	PHE	0	-0.025	-0.032	30.455	0.006	0.006	0.000	0.000	0.000	0.000
339	339	GLY	0	0.035	0.026	32.574	0.005	0.005	0.000	0.000	0.000	0.000
340	340	ARG	1	0.829	0.911	33.705	0.113	0.113	0.000	0.000	0.000	0.000
341	341	LYS	1	0.941	0.967	35.023	0.068	0.068	0.000	0.000	0.000	0.000
342	342	GLY	0	0.098	0.054	33.596	0.000	0.000	0.000	0.000	0.000	0.000
343	343	VAL	0	-0.020	0.007	33.772	0.006	0.006	0.000	0.000	0.000	0.000
344	344	ALA	0	0.033	0.012	31.198	-0.008	-0.008	0.000	0.000	0.000	0.000
345	345	ILE	0	0.009	0.011	32.201	0.007	0.007	0.000	0.000	0.000	0.000
346	346	ASN	0	-0.017	-0.012	30.507	-0.015	-0.015	0.000	0.000	0.000	0.000
347	347	MET	0	-0.004	0.008	31.858	0.006	0.006	0.000	0.000	0.000	0.000
348	348	VAL	0	-0.042	-0.023	31.925	-0.003	-0.003	0.000	0.000	0.000	0.000
349	349	THR	0	-0.005	-0.013	33.405	0.003	0.003	0.000	0.000	0.000	0.000
350	350	GLU	-1	-0.830	-0.917	35.511	-0.048	-0.048	0.000	0.000	0.000	0.000
351	351	GLU	-1	-0.924	-0.972	33.114	-0.046	-0.046	0.000	0.000	0.000	0.000
352	352	ASP	-1	-0.854	-0.911	31.316	-0.085	-0.085	0.000	0.000	0.000	0.000
353	353	LYS	1	0.920	0.964	32.462	0.055	0.055	0.000	0.000	0.000	0.000
354	354	ARG	1	0.867	0.930	34.868	0.046	0.046	0.000	0.000	0.000	0.000
355	355	THR	0	0.028	0.021	28.398	0.005	0.005	0.000	0.000	0.000	0.000
356	356	LEU	0	-0.003	0.000	31.519	-0.001	-0.001	0.000	0.000	0.000	0.000
357	357	ARG	1	0.877	0.935	33.065	0.046	0.046	0.000	0.000	0.000	0.000
358	358	ASP	-1	-0.809	-0.873	30.046	-0.050	-0.050	0.000	0.000	0.000	0.000
359	359	ILE	0	-0.003	0.001	28.315	0.002	0.002	0.000	0.000	0.000	0.000
360	360	GLU	-1	-0.822	-0.893	31.591	-0.052	-0.052	0.000	0.000	0.000	0.000
361	361	THR	0	-0.052	-0.046	35.226	0.004	0.004	0.000	0.000	0.000	0.000
362	362	PHE	0	-0.031	-0.005	28.557	0.004	0.004	0.000	0.000	0.000	0.000
363	363	TYR	0	-0.046	-0.061	26.971	0.004	0.004	0.000	0.000	0.000	0.000
364	364	ASN	0	-0.073	-0.026	33.719	0.001	0.001	0.000	0.000	0.000	0.000
365	365	THR	0	-0.010	-0.002	35.096	0.001	0.001	0.000	0.000	0.000	0.000
366	366	SER	0	-0.073	-0.060	38.248	0.003	0.003	0.000	0.000	0.000	0.000
367	367	ILE	0	-0.055	-0.024	33.387	-0.004	-0.004	0.000	0.000	0.000	0.000
368	368	GLU	-1	-0.844	-0.895	37.743	-0.052	-0.052	0.000	0.000	0.000	0.000
369	369	GLU	-1	-0.961	-0.989	39.517	-0.057	-0.057	0.000	0.000	0.000	0.000
370	370	MET	0	-0.043	-0.021	38.356	-0.002	-0.002	0.000	0.000	0.000	0.000
371	371	PRO	0	-0.011	0.009	40.789	0.002	0.002	0.000	0.000	0.000	0.000
372	372	LEU	0	0.021	-0.004	42.057	-0.003	-0.003	0.000	0.000	0.000	0.000
373	373	ASN	0	-0.059	-0.031	43.749	-0.004	-0.004	0.000	0.000	0.000	0.000
374	374	VAL	0	0.056	0.017	41.165	-0.001	-0.001	0.000	0.000	0.000	0.000
375	375	ALA	0	-0.052	-0.027	43.223	-0.001	-0.001	0.000	0.000	0.000	0.000
376	376	ASP	-1	-0.870	-0.923	45.586	-0.055	-0.055	0.000	0.000	0.000	0.000
377	377	LEU	0	-0.090	-0.035	38.260	-0.001	-0.001	0.000	0.000	0.000	0.000
378	378	ILE	-1	-0.862	-0.908	38.016	-0.076	-0.076	0.000	0.000	0.000	0.000
379	379	A	0	-0.328	-0.271	15.727	-0.009	-0.009	0.000	0.000	0.000	0.000
380	379	A	-1	-0.556	-0.656	11.371	0.129	0.129	0.000	0.000	0.000	0.000
381	380	G	0	-0.368	-0.317	15.383	-0.009	-0.009	0.000	0.000	0.000	0.000
382	380	G	-1	-0.528	-0.623	13.278	-0.087	-0.087	0.000	0.000	0.000	0.000
383	381	A	0	-0.376	-0.308	16.435	-0.010	-0.010	0.000	0.000	0.000	0.000
384	381	A	-1	-0.628	-0.700	16.061	-0.170	-0.170	0.000	0.000	0.000	0.000
385	382	G	0	-0.334	-0.286	13.075	0.026	0.026	0.000	0.000	0.000	0.000
386	382	G	-1	-0.550	-0.680	15.853	-0.304	-0.304	0.000	0.000	0.000	0.000
387	383	A	0	-0.333	-0.290	9.724	-0.042	-0.042	0.000	0.000	0.000	0.000
388	383	A	-1	-0.448	-0.562	11.604	-0.508	-0.508	0.000	0.000	0.000	0.000
389	384	A	0	-0.340	-0.295	7.229	-0.129	-0.129	0.000	0.000	0.000	0.000
390	384	A	-1	-0.486	-0.599	7.846	-0.839	-0.839	0.000	0.000	0.000	0.000
395	387	A	0	-0.349	-0.304	5.965	0.227	0.227	0.000	0.000	0.000	0.000
396	387	A	-1	-0.645	-0.673	7.186	-0.558	-0.558	0.000	0.000	0.000	0.000
397	388	G	0	-0.363	-0.311	9.758	-0.183	-0.183	0.000	0.000	0.000	0.000
398	388	G	0	0.276	0.217	10.735	0.065	0.065	0.000	0.000	0.000	0.000

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