FMO DATABASE

FMODB ID: 2J9QR

Calculation Name: 6XKI-A-MD433-88ns

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	-7646021.710336
FMO2-HF: Nuclear repulsion	7476668.051046
FMO2-HF: Total energy	-169353.659289
FMO2-MP2: Total energy	-169831.748449

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.
-312.014103	-263.613366	60.594298	-23.408187	-85.586848	0.102393

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.
-54.229	-22.195	39.571	-15.109	-56.499	-0.063

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 : -0.107 / q_NPA : -0.031

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	0.032	-0.002	3.218	-0.912	0.107	0.123	-0.254	-0.888	0.000
132	132	GLY	0	0.034	0.018	2.433	-2.370	-0.607	8.744	-5.242	-5.266	-0.007
133	133	ARG	1	0.828	0.866	2.551	3.182	-0.493	1.135	5.091	-2.552	-0.019
134	134	VAL	0	0.026	0.007	4.989	-0.106	0.071	-0.001	-0.012	-0.164	0.000
135	135	PHE	0	-0.007	-0.004	2.529	-11.485	-5.169	10.922	-4.273	-12.965	0.012
136	136	ASP	-1	-0.782	-0.873	2.576	-4.630	-2.101	0.629	-0.962	-2.196	-0.001
137	137	MET	0	-0.034	-0.007	3.277	0.762	0.823	0.039	0.205	-0.305	0.000
139	139	ASN	0	-0.107	-0.036	3.057	-1.214	-0.122	0.421	-0.371	-1.142	-0.001
140	140	ARG	1	0.855	0.907	4.968	0.607	0.733	-0.001	-0.005	-0.120	0.000
167	167	GLN	0	0.007	-0.002	2.533	-7.504	-3.344	5.821	-2.966	-7.015	0.000
168	168	ILE	0	-0.006	-0.010	3.316	-1.554	-1.417	0.090	0.920	-1.148	-0.002
170	170	ASP	-1	-0.854	-0.926	2.673	-6.240	-2.785	0.733	-1.845	-2.343	-0.019
171	171	ILE	0	-0.064	-0.035	2.742	-0.726	0.644	0.692	-0.362	-1.701	-0.001
172	172	PHE	0	-0.048	-0.026	5.068	0.369	0.381	-0.001	-0.004	-0.007	0.000
391	385	G	0	-0.318	-0.286	2.764	-3.318	-1.703	0.282	-0.526	-1.371	-0.005
392	385	G	-1	-0.483	-0.591	2.355	-4.518	-2.315	0.668	-1.035	-1.836	-0.007
393	386	G	0	-0.343	-0.295	2.234	-9.123	-0.567	8.872	-3.041	-14.386	-0.015
394	386	G	-1	-0.535	-0.628	2.724	-1.931	-0.813	0.403	-0.427	-1.094	0.002
1	1	GLU	0	-0.117	-0.081	36.568	0.006	0.006	0.000	0.000	0.000	0.000
2	2	ILE	0	0.027	0.016	37.166	-0.003	-0.003	0.000	0.000	0.000	0.000
3	3	VAL	0	0.071	0.036	34.774	0.003	0.003	0.000	0.000	0.000	0.000
4	4	ASP	-1	-0.951	-0.967	36.442	-0.047	-0.047	0.000	0.000	0.000	0.000
5	5	SER	0	0.027	-0.029	37.664	-0.004	-0.004	0.000	0.000	0.000	0.000
6	6	PHE	0	0.011	-0.015	31.402	0.001	0.001	0.000	0.000	0.000	0.000
7	7	ASP	-1	-0.876	-0.920	35.854	-0.040	-0.040	0.000	0.000	0.000	0.000
8	8	ASP	-1	-0.872	-0.921	38.673	-0.032	-0.032	0.000	0.000	0.000	0.000
9	9	MET	0	-0.156	-0.075	32.006	0.001	0.001	0.000	0.000	0.000	0.000
10	10	ASN	0	-0.074	-0.026	34.262	0.003	0.003	0.000	0.000	0.000	0.000
11	11	LEU	0	-0.023	-0.006	30.751	0.001	0.001	0.000	0.000	0.000	0.000
12	12	SER	0	0.032	0.018	32.099	0.001	0.001	0.000	0.000	0.000	0.000
13	13	GLU	-1	-0.872	-0.949	34.036	-0.046	-0.046	0.000	0.000	0.000	0.000
14	14	SER	0	-0.046	-0.032	33.508	-0.003	-0.003	0.000	0.000	0.000	0.000
15	15	LEU	0	0.022	0.009	28.526	-0.007	-0.007	0.000	0.000	0.000	0.000
16	16	LEU	0	0.005	0.004	32.051	-0.008	-0.008	0.000	0.000	0.000	0.000
17	17	ARG	1	0.895	0.957	34.911	0.056	0.056	0.000	0.000	0.000	0.000
18	18	GLY	0	0.043	0.025	31.929	-0.003	-0.003	0.000	0.000	0.000	0.000
19	19	ILE	0	-0.012	-0.011	30.513	-0.008	-0.008	0.000	0.000	0.000	0.000
20	20	TYR	0	-0.044	-0.022	32.788	-0.004	-0.004	0.000	0.000	0.000	0.000
21	21	ALA	0	-0.029	0.001	34.311	0.000	0.000	0.000	0.000	0.000	0.000
22	22	TYR	0	-0.032	-0.022	26.939	-0.012	-0.012	0.000	0.000	0.000	0.000
23	23	GLY	0	-0.040	-0.014	32.340	-0.005	-0.005	0.000	0.000	0.000	0.000
24	24	PHE	0	-0.035	-0.011	28.798	-0.001	-0.001	0.000	0.000	0.000	0.000
25	25	GLU	-1	-0.887	-0.964	34.828	-0.077	-0.077	0.000	0.000	0.000	0.000
26	26	LYS	1	0.923	0.961	36.339	0.063	0.063	0.000	0.000	0.000	0.000
27	27	PRO	0	0.015	0.041	32.825	-0.006	-0.006	0.000	0.000	0.000	0.000
28	28	SER	0	0.040	-0.001	30.015	0.006	0.006	0.000	0.000	0.000	0.000
29	29	ALA	0	0.024	-0.004	32.703	0.004	0.004	0.000	0.000	0.000	0.000
30	30	ILE	0	-0.004	0.000	26.859	0.007	0.007	0.000	0.000	0.000	0.000
31	31	GLN	0	0.032	0.020	27.990	0.011	0.011	0.000	0.000	0.000	0.000
32	32	GLN	0	-0.042	-0.036	29.724	0.008	0.008	0.000	0.000	0.000	0.000
33	33	ARG	1	0.868	0.934	30.396	0.062	0.062	0.000	0.000	0.000	0.000
34	34	ALA	0	0.006	0.007	25.621	0.006	0.006	0.000	0.000	0.000	0.000
35	35	ILE	0	0.046	0.025	26.334	0.003	0.003	0.000	0.000	0.000	0.000
36	36	LEU	0	0.039	0.023	27.516	0.004	0.004	0.000	0.000	0.000	0.000
37	37	PRO	0	-0.036	-0.031	26.433	0.007	0.007	0.000	0.000	0.000	0.000
38	38	CYS	0	-0.029	-0.002	21.755	0.003	0.003	0.000	0.000	0.000	0.000
39	39	ILE	0	0.071	0.038	23.850	0.003	0.003	0.000	0.000	0.000	0.000
40	40	LYS	1	0.871	0.957	26.529	-0.005	-0.005	0.000	0.000	0.000	0.000
41	41	GLY	0	0.052	0.034	22.947	0.010	0.010	0.000	0.000	0.000	0.000
42	42	TYR	0	-0.039	-0.027	22.224	0.009	0.009	0.000	0.000	0.000	0.000
43	43	ASP	-1	-0.692	-0.807	18.705	0.020	0.020	0.000	0.000	0.000	0.000
44	44	VAL	0	-0.049	-0.026	20.183	0.001	0.001	0.000	0.000	0.000	0.000
45	45	ILE	0	0.012	0.010	19.814	-0.012	-0.012	0.000	0.000	0.000	0.000
46	46	ALA	0	0.012	-0.014	21.840	0.009	0.009	0.000	0.000	0.000	0.000
47	47	GLN	0	0.014	0.007	23.043	-0.006	-0.006	0.000	0.000	0.000	0.000
48	48	ALA	0	-0.031	-0.016	23.990	0.009	0.009	0.000	0.000	0.000	0.000
49	49	GLN	0	0.062	0.033	24.704	-0.025	-0.025	0.000	0.000	0.000	0.000
50	50	SER	0	0.017	0.012	25.699	-0.006	-0.006	0.000	0.000	0.000	0.000
51	51	GLY	0	0.010	0.006	26.638	0.008	0.008	0.000	0.000	0.000	0.000
52	52	THR	0	-0.053	-0.041	27.531	0.008	0.008	0.000	0.000	0.000	0.000
53	53	GLY	0	0.055	0.043	27.002	0.008	0.008	0.000	0.000	0.000	0.000
54	54	LYS	1	0.828	0.893	19.254	0.257	0.257	0.000	0.000	0.000	0.000
55	55	THR	0	0.040	0.006	20.805	0.001	0.001	0.000	0.000	0.000	0.000
56	56	ALA	0	0.037	0.018	22.216	0.006	0.006	0.000	0.000	0.000	0.000
57	57	THR	0	-0.009	0.002	23.914	0.014	0.014	0.000	0.000	0.000	0.000
58	58	PHE	0	0.061	0.031	18.388	0.014	0.014	0.000	0.000	0.000	0.000
59	59	ALA	0	0.008	0.005	21.868	0.009	0.009	0.000	0.000	0.000	0.000
60	60	ILE	0	0.015	0.010	22.720	0.009	0.009	0.000	0.000	0.000	0.000
61	61	SER	0	-0.006	-0.022	23.191	0.013	0.013	0.000	0.000	0.000	0.000
62	62	ILE	0	-0.007	0.001	18.517	0.011	0.011	0.000	0.000	0.000	0.000
63	63	LEU	0	0.000	-0.008	22.577	0.011	0.011	0.000	0.000	0.000	0.000
64	64	GLN	0	0.025	0.019	25.369	0.002	0.002	0.000	0.000	0.000	0.000
65	65	GLN	0	-0.098	-0.062	23.214	0.020	0.020	0.000	0.000	0.000	0.000
66	66	ILE	0	-0.077	-0.026	21.605	0.008	0.008	0.000	0.000	0.000	0.000
67	67	GLU	-1	-0.866	-0.933	25.361	-0.002	-0.002	0.000	0.000	0.000	0.000
68	68	LEU	0	-0.006	-0.013	26.775	-0.001	-0.001	0.000	0.000	0.000	0.000
69	69	ASP	-1	-0.923	-0.942	28.930	-0.011	-0.011	0.000	0.000	0.000	0.000
70	70	LEU	0	-0.136	-0.068	24.182	0.010	0.010	0.000	0.000	0.000	0.000
71	71	LYS	1	0.949	0.954	23.772	0.024	0.024	0.000	0.000	0.000	0.000
72	72	ALA	0	0.003	0.016	19.139	-0.009	-0.009	0.000	0.000	0.000	0.000
73	73	THR	0	0.000	-0.022	15.715	-0.012	-0.012	0.000	0.000	0.000	0.000
74	74	GLN	0	-0.023	-0.013	17.879	0.024	0.024	0.000	0.000	0.000	0.000
75	75	ALA	0	-0.022	-0.001	16.988	0.018	0.018	0.000	0.000	0.000	0.000
76	76	LEU	0	-0.009	-0.002	9.633	-0.019	-0.019	0.000	0.000	0.000	0.000
77	77	VAL	0	0.004	0.001	13.493	0.016	0.016	0.000	0.000	0.000	0.000
78	78	LEU	0	-0.021	-0.006	7.002	-0.043	-0.043	0.000	0.000	0.000	0.000
79	79	ALA	0	0.021	0.005	10.212	0.067	0.067	0.000	0.000	0.000	0.000
80	80	PRO	0	0.049	0.015	9.057	-0.135	-0.135	0.000	0.000	0.000	0.000
81	81	THR	0	-0.014	-0.008	9.077	-0.207	-0.207	0.000	0.000	0.000	0.000
82	82	ARG	1	0.898	0.929	7.820	1.836	1.836	0.000	0.000	0.000	0.000
83	83	GLU	-1	-0.760	-0.869	11.969	-0.624	-0.624	0.000	0.000	0.000	0.000
84	84	LEU	0	-0.023	0.001	14.115	0.075	0.075	0.000	0.000	0.000	0.000
85	85	ALA	0	0.002	0.001	12.075	0.064	0.064	0.000	0.000	0.000	0.000
86	86	GLN	0	0.038	-0.001	14.254	0.103	0.103	0.000	0.000	0.000	0.000
87	87	GLN	0	-0.013	0.008	17.250	0.042	0.042	0.000	0.000	0.000	0.000
88	88	ILE	0	-0.003	-0.011	15.489	0.038	0.038	0.000	0.000	0.000	0.000
89	89	GLN	0	0.034	0.009	17.498	0.028	0.028	0.000	0.000	0.000	0.000
90	90	LYS	1	0.897	0.951	19.203	0.252	0.252	0.000	0.000	0.000	0.000
91	91	VAL	0	-0.007	0.002	22.020	0.019	0.019	0.000	0.000	0.000	0.000
92	92	VAL	0	0.021	0.003	19.890	0.020	0.020	0.000	0.000	0.000	0.000
93	93	MET	0	-0.044	-0.011	22.477	0.016	0.016	0.000	0.000	0.000	0.000
94	94	ALA	0	0.001	0.017	24.970	0.009	0.009	0.000	0.000	0.000	0.000
95	95	LEU	0	-0.036	-0.017	25.451	0.011	0.011	0.000	0.000	0.000	0.000
96	96	GLY	0	0.016	-0.008	26.745	0.012	0.012	0.000	0.000	0.000	0.000
97	97	ASP	-1	-0.964	-0.969	27.715	-0.109	-0.109	0.000	0.000	0.000	0.000
98	98	TYR	0	-0.003	-0.019	30.270	0.006	0.006	0.000	0.000	0.000	0.000
99	99	MET	0	-0.069	-0.032	29.225	0.004	0.004	0.000	0.000	0.000	0.000
100	100	GLY	0	0.008	0.025	29.902	0.007	0.007	0.000	0.000	0.000	0.000
101	101	ALA	0	-0.008	0.006	25.078	0.004	0.004	0.000	0.000	0.000	0.000
102	102	SER	0	-0.047	-0.062	22.816	-0.013	-0.013	0.000	0.000	0.000	0.000
103	103	CYS	0	-0.047	-0.030	18.435	0.006	0.006	0.000	0.000	0.000	0.000
104	104	HIS	0	-0.011	-0.014	13.637	0.035	0.035	0.000	0.000	0.000	0.000
105	105	ALA	0	0.007	-0.001	14.642	-0.005	-0.005	0.000	0.000	0.000	0.000
106	106	CYS	0	-0.032	0.002	9.448	0.001	0.001	0.000	0.000	0.000	0.000
107	107	ILE	0	0.004	0.001	9.389	-0.069	-0.069	0.000	0.000	0.000	0.000
108	108	GLY	0	0.022	0.014	7.900	0.085	0.085	0.000	0.000	0.000	0.000
109	109	GLY	0	0.002	0.000	8.530	0.082	0.082	0.000	0.000	0.000	0.000
110	110	THR	0	-0.025	-0.009	10.592	0.171	0.171	0.000	0.000	0.000	0.000
111	111	ASN	0	0.047	0.018	10.809	-0.027	-0.027	0.000	0.000	0.000	0.000
112	112	VAL	0	0.096	0.052	6.950	0.044	0.044	0.000	0.000	0.000	0.000
113	113	ARG	1	0.957	0.981	10.329	0.195	0.195	0.000	0.000	0.000	0.000
114	114	ALA	0	-0.044	-0.047	12.656	0.042	0.042	0.000	0.000	0.000	0.000
115	115	GLU	-1	-0.772	-0.854	10.414	-0.555	-0.555	0.000	0.000	0.000	0.000
116	116	VAL	0	0.007	0.003	10.560	0.037	0.037	0.000	0.000	0.000	0.000
117	117	GLN	0	-0.032	-0.013	13.343	0.037	0.037	0.000	0.000	0.000	0.000
118	118	LYS	1	0.929	0.950	16.259	0.319	0.319	0.000	0.000	0.000	0.000
119	119	LEU	0	0.034	0.031	12.497	0.017	0.017	0.000	0.000	0.000	0.000
120	120	GLN	0	-0.036	-0.029	15.954	0.019	0.019	0.000	0.000	0.000	0.000
121	121	MET	0	-0.083	-0.034	18.799	0.019	0.019	0.000	0.000	0.000	0.000
122	122	GLU	-1	-0.872	-0.909	19.789	-0.146	-0.146	0.000	0.000	0.000	0.000
123	123	ALA	0	-0.051	-0.010	20.566	0.011	0.011	0.000	0.000	0.000	0.000
124	124	PRO	0	0.003	0.026	17.716	0.006	0.006	0.000	0.000	0.000	0.000
125	125	HIS	0	0.087	0.044	19.736	0.001	0.001	0.000	0.000	0.000	0.000
126	126	ILE	0	-0.043	-0.019	17.206	0.014	0.014	0.000	0.000	0.000	0.000
127	127	ILE	0	0.016	0.002	11.769	-0.017	-0.017	0.000	0.000	0.000	0.000
128	128	VAL	0	0.018	0.014	13.615	0.016	0.016	0.000	0.000	0.000	0.000
129	129	GLY	0	0.010	-0.007	10.244	-0.011	-0.011	0.000	0.000	0.000	0.000
130	130	THR	0	-0.010	-0.011	6.378	0.154	0.154	0.000	0.000	0.000	0.000
138	138	LEU	0	-0.004	0.000	6.249	0.171	0.171	0.000	0.000	0.000	0.000
141	141	ARG	1	0.918	0.950	7.371	-0.252	-0.252	0.000	0.000	0.000	0.000
142	142	TYR	0	-0.009	0.015	10.215	0.032	0.032	0.000	0.000	0.000	0.000
143	143	LEU	0	0.036	0.029	9.645	0.012	0.012	0.000	0.000	0.000	0.000
144	144	SER	0	0.025	-0.008	11.460	0.092	0.092	0.000	0.000	0.000	0.000
145	145	PRO	0	0.041	0.007	12.687	-0.043	-0.043	0.000	0.000	0.000	0.000
146	146	LYS	1	0.870	0.959	15.901	-0.160	-0.160	0.000	0.000	0.000	0.000
147	147	TYR	0	0.002	-0.012	17.563	-0.008	-0.008	0.000	0.000	0.000	0.000
148	148	ILE	0	-0.037	-0.002	13.959	-0.016	-0.016	0.000	0.000	0.000	0.000
149	149	LYS	1	0.982	0.992	17.181	-0.006	-0.006	0.000	0.000	0.000	0.000
150	150	MET	0	-0.010	0.011	17.026	0.008	0.008	0.000	0.000	0.000	0.000
151	151	PHE	0	-0.005	-0.013	8.000	-0.012	-0.012	0.000	0.000	0.000	0.000
152	152	VAL	0	0.009	-0.003	13.924	0.011	0.011	0.000	0.000	0.000	0.000
153	153	LEU	0	0.006	0.001	10.228	-0.036	-0.036	0.000	0.000	0.000	0.000
154	154	ASP	-1	-0.779	-0.877	13.707	-0.243	-0.243	0.000	0.000	0.000	0.000
155	155	GLU	-1	-0.867	-0.935	14.034	-0.341	-0.341	0.000	0.000	0.000	0.000
156	156	ALA	0	0.017	-0.003	14.631	-0.021	-0.021	0.000	0.000	0.000	0.000
157	157	ASP	-1	-0.779	-0.846	14.779	-0.232	-0.232	0.000	0.000	0.000	0.000
158	158	GLU	-1	-0.834	-0.906	12.146	-0.455	-0.455	0.000	0.000	0.000	0.000
159	159	MET	0	-0.054	-0.009	7.652	-0.024	-0.024	0.000	0.000	0.000	0.000
160	160	LEU	0	-0.023	-0.018	10.595	0.071	0.071	0.000	0.000	0.000	0.000
161	161	SER	0	0.026	0.009	11.527	0.020	0.020	0.000	0.000	0.000	0.000
162	162	ARG	1	0.824	0.891	10.761	0.203	0.203	0.000	0.000	0.000	0.000
163	163	GLY	0	0.066	0.059	8.440	0.060	0.060	0.000	0.000	0.000	0.000
164	164	PHE	0	-0.011	-0.020	5.661	-0.035	-0.035	0.000	0.000	0.000	0.000
165	165	LYS	1	0.978	0.991	6.777	0.319	0.319	0.000	0.000	0.000	0.000
166	166	ASP	-1	-0.900	-0.953	5.102	-0.082	-0.082	0.000	0.000	0.000	0.000
169	169	TYR	0	-0.011	-0.010	6.027	-0.105	-0.105	0.000	0.000	0.000	0.000
173	173	GLN	0	-0.012	0.004	7.877	0.171	0.171	0.000	0.000	0.000	0.000
174	174	LYS	1	0.892	0.967	6.080	-1.935	-1.935	0.000	0.000	0.000	0.000
175	175	LEU	0	-0.041	-0.021	8.680	-0.004	-0.004	0.000	0.000	0.000	0.000
176	176	ASN	0	0.016	0.014	10.854	0.018	0.018	0.000	0.000	0.000	0.000
177	177	SER	0	0.047	0.031	14.368	-0.062	-0.062	0.000	0.000	0.000	0.000
178	178	ASN	0	-0.026	-0.023	16.142	-0.023	-0.023	0.000	0.000	0.000	0.000
179	179	THR	0	-0.075	-0.035	13.688	-0.023	-0.023	0.000	0.000	0.000	0.000
180	180	GLN	0	0.009	0.001	16.403	-0.002	-0.002	0.000	0.000	0.000	0.000
181	181	VAL	0	-0.042	-0.031	13.552	-0.014	-0.014	0.000	0.000	0.000	0.000
182	182	VAL	0	-0.015	-0.007	15.777	0.004	0.004	0.000	0.000	0.000	0.000
183	183	LEU	0	0.025	0.009	14.366	-0.022	-0.022	0.000	0.000	0.000	0.000
184	184	LEU	0	0.004	-0.003	17.493	0.015	0.015	0.000	0.000	0.000	0.000
185	185	SER	0	-0.015	-0.024	18.186	-0.032	-0.032	0.000	0.000	0.000	0.000
186	186	ALA	0	0.039	0.034	20.294	0.021	0.021	0.000	0.000	0.000	0.000
187	187	THR	0	-0.019	-0.016	20.131	0.014	0.014	0.000	0.000	0.000	0.000
188	188	MET	0	-0.026	-0.023	20.121	-0.004	-0.004	0.000	0.000	0.000	0.000
189	189	PRO	0	0.059	0.044	19.326	0.018	0.018	0.000	0.000	0.000	0.000
190	190	SER	0	0.011	-0.001	20.911	0.008	0.008	0.000	0.000	0.000	0.000
191	191	ASP	-1	-0.871	-0.937	18.452	-0.056	-0.056	0.000	0.000	0.000	0.000
192	192	VAL	0	-0.013	0.002	15.782	0.005	0.005	0.000	0.000	0.000	0.000
193	193	LEU	0	-0.013	-0.020	17.590	0.013	0.013	0.000	0.000	0.000	0.000
194	194	GLU	-1	-0.849	-0.896	19.223	0.017	0.017	0.000	0.000	0.000	0.000
195	195	VAL	0	-0.023	-0.011	13.187	0.018	0.018	0.000	0.000	0.000	0.000
196	196	THR	0	-0.014	-0.021	15.125	0.013	0.013	0.000	0.000	0.000	0.000
197	197	LYS	1	0.849	0.911	16.865	0.003	0.003	0.000	0.000	0.000	0.000
198	198	LYS	1	0.862	0.955	9.983	0.010	0.010	0.000	0.000	0.000	0.000
199	199	PHE	0	-0.040	-0.025	9.235	0.023	0.023	0.000	0.000	0.000	0.000
200	200	MET	0	-0.070	-0.017	14.518	0.014	0.014	0.000	0.000	0.000	0.000
201	201	ARG	1	0.791	0.850	16.001	-0.072	-0.072	0.000	0.000	0.000	0.000
202	202	ASP	-1	-0.900	-0.940	20.951	0.016	0.016	0.000	0.000	0.000	0.000
203	203	PRO	0	0.022	0.031	20.778	-0.003	-0.003	0.000	0.000	0.000	0.000
204	204	ILE	0	0.025	0.016	23.110	-0.001	-0.001	0.000	0.000	0.000	0.000
205	205	ARG	1	0.806	0.882	24.381	-0.001	-0.001	0.000	0.000	0.000	0.000
206	206	ILE	0	-0.026	-0.012	25.844	0.004	0.004	0.000	0.000	0.000	0.000
207	207	LEU	0	-0.004	-0.009	24.822	-0.008	-0.008	0.000	0.000	0.000	0.000
208	208	VAL	0	0.009	0.002	28.038	0.004	0.004	0.000	0.000	0.000	0.000
209	209	LYS	1	0.955	0.982	28.716	0.056	0.056	0.000	0.000	0.000	0.000
210	210	LYS	1	0.842	0.891	28.214	0.083	0.083	0.000	0.000	0.000	0.000
211	211	GLU	-1	-0.812	-0.905	29.401	-0.087	-0.087	0.000	0.000	0.000	0.000
212	212	GLU	-1	-0.965	-0.972	32.188	-0.077	-0.077	0.000	0.000	0.000	0.000
213	213	LEU	0	-0.058	-0.031	25.769	-0.003	-0.003	0.000	0.000	0.000	0.000
214	214	THR	0	0.006	0.017	29.025	-0.012	-0.012	0.000	0.000	0.000	0.000
215	215	LEU	0	-0.011	-0.008	27.873	0.002	0.002	0.000	0.000	0.000	0.000
216	216	GLU	-1	-0.901	-0.941	32.122	-0.096	-0.096	0.000	0.000	0.000	0.000
217	217	GLY	0	-0.052	-0.038	35.667	0.001	0.001	0.000	0.000	0.000	0.000
218	218	ILE	0	-0.018	0.002	30.602	-0.001	-0.001	0.000	0.000	0.000	0.000
219	219	ARG	1	0.903	0.959	33.899	0.112	0.112	0.000	0.000	0.000	0.000
220	220	GLN	0	0.013	0.026	32.269	-0.014	-0.014	0.000	0.000	0.000	0.000
221	221	PHE	0	0.040	0.006	34.788	0.008	0.008	0.000	0.000	0.000	0.000
222	222	TYR	0	-0.058	-0.029	34.607	-0.009	-0.009	0.000	0.000	0.000	0.000
223	223	ILE	0	0.060	0.024	36.021	0.006	0.006	0.000	0.000	0.000	0.000
224	224	ASN	0	-0.002	-0.016	36.624	-0.008	-0.008	0.000	0.000	0.000	0.000
225	225	VAL	0	0.037	0.023	35.710	0.003	0.003	0.000	0.000	0.000	0.000
226	226	GLU	-1	-0.944	-0.959	37.576	-0.089	-0.089	0.000	0.000	0.000	0.000
227	227	ARG	1	0.943	0.965	36.225	0.101	0.101	0.000	0.000	0.000	0.000
228	228	GLU	-1	-0.724	-0.841	29.780	-0.185	-0.185	0.000	0.000	0.000	0.000
229	229	GLU	-1	-0.939	-0.986	33.637	-0.122	-0.122	0.000	0.000	0.000	0.000
230	230	TRP	0	-0.028	-0.017	35.813	0.005	0.005	0.000	0.000	0.000	0.000
231	231	LYS	1	0.842	0.918	28.629	0.185	0.185	0.000	0.000	0.000	0.000
232	232	LEU	0	0.004	0.008	33.337	-0.003	-0.003	0.000	0.000	0.000	0.000
233	233	ASP	-1	-0.807	-0.897	34.543	-0.120	-0.120	0.000	0.000	0.000	0.000
234	234	THR	0	0.018	0.005	36.427	0.004	0.004	0.000	0.000	0.000	0.000
235	235	LEU	0	-0.032	-0.020	31.249	0.000	0.000	0.000	0.000	0.000	0.000
236	236	CYS	0	-0.114	-0.070	35.442	-0.001	-0.001	0.000	0.000	0.000	0.000
237	237	ASP	-1	-0.929	-0.949	37.980	-0.102	-0.102	0.000	0.000	0.000	0.000
238	238	LEU	0	-0.001	0.011	34.971	0.003	0.003	0.000	0.000	0.000	0.000
239	239	TYR	0	0.026	0.006	33.805	-0.006	-0.006	0.000	0.000	0.000	0.000
240	240	GLU	-1	-0.889	-0.931	37.816	-0.105	-0.105	0.000	0.000	0.000	0.000
241	241	THR	0	-0.018	-0.035	36.574	-0.004	-0.004	0.000	0.000	0.000	0.000
242	242	LEU	0	-0.013	-0.014	32.095	-0.004	-0.004	0.000	0.000	0.000	0.000
243	243	THR	0	-0.061	-0.013	35.235	-0.004	-0.004	0.000	0.000	0.000	0.000
244	244	ILE	0	-0.019	-0.011	38.035	-0.002	-0.002	0.000	0.000	0.000	0.000
245	245	THR	0	-0.034	-0.012	34.754	-0.001	-0.001	0.000	0.000	0.000	0.000
246	246	GLN	0	-0.046	-0.018	28.167	0.006	0.006	0.000	0.000	0.000	0.000
247	247	ALA	0	-0.010	-0.012	30.067	0.003	0.003	0.000	0.000	0.000	0.000
248	248	VAL	0	-0.018	-0.012	23.623	-0.013	-0.013	0.000	0.000	0.000	0.000
249	249	ILE	0	0.007	0.006	25.790	0.016	0.016	0.000	0.000	0.000	0.000
250	250	PHE	0	0.025	0.013	19.870	-0.022	-0.022	0.000	0.000	0.000	0.000
251	251	ILE	0	-0.015	-0.016	22.258	0.027	0.027	0.000	0.000	0.000	0.000
252	252	ASN	0	0.020	-0.010	20.503	-0.047	-0.047	0.000	0.000	0.000	0.000
253	253	THR	0	-0.005	0.022	18.991	-0.015	-0.015	0.000	0.000	0.000	0.000
254	254	ARG	1	0.939	0.949	11.220	0.958	0.958	0.000	0.000	0.000	0.000
255	255	ARG	1	0.943	0.969	18.617	0.343	0.343	0.000	0.000	0.000	0.000
256	256	LYS	1	0.831	0.895	22.078	0.239	0.239	0.000	0.000	0.000	0.000
257	257	VAL	0	0.035	0.025	20.800	0.018	0.018	0.000	0.000	0.000	0.000
258	258	ASP	-1	-0.945	-0.951	22.502	-0.291	-0.291	0.000	0.000	0.000	0.000
259	259	TRP	0	0.011	0.004	24.287	0.023	0.023	0.000	0.000	0.000	0.000
260	260	LEU	0	-0.007	-0.013	26.954	0.016	0.016	0.000	0.000	0.000	0.000
261	261	THR	0	-0.023	-0.031	25.549	0.009	0.009	0.000	0.000	0.000	0.000
262	262	GLU	-1	-0.875	-0.922	28.180	-0.165	-0.165	0.000	0.000	0.000	0.000
263	263	LYS	1	0.855	0.926	30.621	0.183	0.183	0.000	0.000	0.000	0.000
264	264	MET	0	-0.021	-0.022	30.955	0.011	0.011	0.000	0.000	0.000	0.000
265	265	HIS	0	0.019	0.022	32.287	0.006	0.006	0.000	0.000	0.000	0.000
266	266	ALA	0	-0.018	0.000	34.123	0.008	0.008	0.000	0.000	0.000	0.000
267	267	ARG	1	0.729	0.849	36.363	0.136	0.136	0.000	0.000	0.000	0.000
268	268	ASP	-1	-0.906	-0.934	37.508	-0.126	-0.126	0.000	0.000	0.000	0.000
269	269	PHE	0	-0.036	-0.032	34.725	0.003	0.003	0.000	0.000	0.000	0.000
270	270	THR	0	-0.029	-0.018	33.043	-0.007	-0.007	0.000	0.000	0.000	0.000
271	271	VAL	0	-0.014	-0.005	28.905	-0.002	-0.002	0.000	0.000	0.000	0.000
272	272	SER	0	0.001	0.009	25.492	-0.012	-0.012	0.000	0.000	0.000	0.000
273	273	ALA	0	0.017	0.001	23.427	0.004	0.004	0.000	0.000	0.000	0.000
274	274	MET	0	-0.006	-0.009	17.256	-0.038	-0.038	0.000	0.000	0.000	0.000
275	275	HIS	0	0.042	0.008	16.467	-0.048	-0.048	0.000	0.000	0.000	0.000
276	276	GLY	0	0.027	-0.011	12.490	-0.007	-0.007	0.000	0.000	0.000	0.000
277	277	ASP	-1	-1.046	-1.024	12.335	-0.822	-0.822	0.000	0.000	0.000	0.000
278	278	MET	0	-0.014	0.028	14.792	0.067	0.067	0.000	0.000	0.000	0.000
279	279	ASP	-1	-0.861	-0.930	15.236	-0.607	-0.607	0.000	0.000	0.000	0.000
280	280	GLN	0	-0.044	-0.036	13.320	-0.077	-0.077	0.000	0.000	0.000	0.000
281	281	LYS	1	0.808	0.881	15.569	0.371	0.371	0.000	0.000	0.000	0.000
282	282	GLU	-1	-0.793	-0.877	19.046	-0.305	-0.305	0.000	0.000	0.000	0.000
283	283	ARG	1	0.794	0.858	11.228	1.037	1.037	0.000	0.000	0.000	0.000
284	284	ASP	-1	-0.862	-0.922	18.235	-0.366	-0.366	0.000	0.000	0.000	0.000
285	285	VAL	0	0.006	0.001	19.323	0.029	0.029	0.000	0.000	0.000	0.000
286	286	ILE	0	0.016	0.019	20.612	0.023	0.023	0.000	0.000	0.000	0.000
287	287	MET	0	-0.018	0.001	19.700	0.035	0.035	0.000	0.000	0.000	0.000
288	288	ARG	1	0.796	0.880	20.274	0.367	0.367	0.000	0.000	0.000	0.000
289	289	GLU	-1	-0.862	-0.935	24.489	-0.222	-0.222	0.000	0.000	0.000	0.000
290	290	PHE	0	0.009	0.016	24.984	0.016	0.016	0.000	0.000	0.000	0.000
291	291	ARG	1	0.833	0.907	21.067	0.312	0.312	0.000	0.000	0.000	0.000
292	292	SER	0	-0.029	-0.018	27.130	0.010	0.010	0.000	0.000	0.000	0.000
293	293	GLY	0	-0.015	0.008	29.785	0.013	0.013	0.000	0.000	0.000	0.000
294	294	SER	0	-0.064	-0.029	30.986	0.006	0.006	0.000	0.000	0.000	0.000
295	295	SER	0	0.034	0.029	27.350	0.006	0.006	0.000	0.000	0.000	0.000
296	296	ARG	1	0.899	0.936	30.189	0.151	0.151	0.000	0.000	0.000	0.000
297	297	VAL	0	0.073	0.029	29.332	0.001	0.001	0.000	0.000	0.000	0.000
298	298	LEU	0	-0.018	-0.004	22.289	-0.009	-0.009	0.000	0.000	0.000	0.000
299	299	ILE	0	0.019	0.011	24.002	0.002	0.002	0.000	0.000	0.000	0.000
300	300	THR	0	-0.035	-0.043	18.987	-0.038	-0.038	0.000	0.000	0.000	0.000
301	301	THR	0	0.039	0.014	15.782	0.036	0.036	0.000	0.000	0.000	0.000
302	302	ASP	-1	-0.780	-0.882	15.984	-0.378	-0.378	0.000	0.000	0.000	0.000
303	303	LEU	0	-0.009	0.021	12.979	-0.012	-0.012	0.000	0.000	0.000	0.000
304	304	LEU	0	-0.005	-0.014	14.699	0.006	0.006	0.000	0.000	0.000	0.000
305	305	ALA	0	0.011	0.014	17.133	0.053	0.053	0.000	0.000	0.000	0.000
306	306	ARG	1	0.776	0.867	15.160	0.375	0.375	0.000	0.000	0.000	0.000
307	307	GLY	0	0.044	0.023	17.665	-0.024	-0.024	0.000	0.000	0.000	0.000
308	308	ILE	0	-0.039	-0.015	17.899	0.029	0.029	0.000	0.000	0.000	0.000
309	309	ASP	-1	-0.866	-0.916	20.870	-0.186	-0.186	0.000	0.000	0.000	0.000
310	310	VAL	0	0.004	-0.002	24.240	-0.002	-0.002	0.000	0.000	0.000	0.000
311	311	GLN	0	0.008	0.004	26.766	0.004	0.004	0.000	0.000	0.000	0.000
312	312	GLN	0	-0.051	-0.040	29.993	0.013	0.013	0.000	0.000	0.000	0.000
313	313	VAL	0	-0.006	0.017	27.414	0.004	0.004	0.000	0.000	0.000	0.000
314	314	SER	0	-0.002	-0.001	30.661	0.004	0.004	0.000	0.000	0.000	0.000
315	315	LEU	0	0.022	0.012	32.010	0.001	0.001	0.000	0.000	0.000	0.000
316	316	VAL	0	-0.009	-0.006	26.407	-0.014	-0.014	0.000	0.000	0.000	0.000
317	317	ILE	0	0.021	0.008	28.459	0.013	0.013	0.000	0.000	0.000	0.000
318	318	ASN	0	-0.018	-0.010	25.605	-0.039	-0.039	0.000	0.000	0.000	0.000
319	319	TYR	0	0.043	0.013	27.066	0.017	0.017	0.000	0.000	0.000	0.000
320	320	ASP	-1	-0.762	-0.856	24.532	-0.230	-0.230	0.000	0.000	0.000	0.000
321	321	LEU	0	0.044	0.011	25.620	-0.011	-0.011	0.000	0.000	0.000	0.000
322	322	PRO	0	-0.029	0.025	22.021	-0.004	-0.004	0.000	0.000	0.000	0.000
323	323	THR	0	-0.006	-0.022	22.033	0.018	0.018	0.000	0.000	0.000	0.000
324	324	ASN	0	-0.014	0.005	18.375	0.031	0.031	0.000	0.000	0.000	0.000
325	325	ARG	1	1.003	0.997	21.376	0.143	0.143	0.000	0.000	0.000	0.000
326	326	GLU	-1	-0.869	-0.929	20.311	-0.174	-0.174	0.000	0.000	0.000	0.000
327	327	ASN	0	-0.050	-0.041	18.136	0.015	0.015	0.000	0.000	0.000	0.000
328	328	TYR	0	0.027	0.006	20.642	-0.011	-0.011	0.000	0.000	0.000	0.000
329	329	ILE	0	0.033	0.009	23.641	0.001	0.001	0.000	0.000	0.000	0.000
330	330	HIS	0	-0.079	-0.041	20.249	-0.003	-0.003	0.000	0.000	0.000	0.000
331	331	ARG	1	0.829	0.898	20.111	0.304	0.304	0.000	0.000	0.000	0.000
332	332	ILE	0	0.023	0.013	23.288	0.003	0.003	0.000	0.000	0.000	0.000
333	333	GLY	0	0.028	0.024	25.414	0.011	0.011	0.000	0.000	0.000	0.000
334	334	ARG	1	0.769	0.880	21.366	0.287	0.287	0.000	0.000	0.000	0.000
335	335	GLY	0	0.015	0.010	25.398	0.003	0.003	0.000	0.000	0.000	0.000
336	336	GLY	0	0.000	-0.009	29.251	0.003	0.003	0.000	0.000	0.000	0.000
337	337	ARG	1	0.770	0.899	26.076	0.208	0.208	0.000	0.000	0.000	0.000
338	338	PHE	0	-0.008	-0.026	30.144	0.010	0.010	0.000	0.000	0.000	0.000
339	339	GLY	0	0.001	0.003	32.067	0.008	0.008	0.000	0.000	0.000	0.000
340	340	ARG	1	0.890	0.961	34.029	0.139	0.139	0.000	0.000	0.000	0.000
341	341	LYS	1	0.952	0.978	34.548	0.097	0.097	0.000	0.000	0.000	0.000
342	342	GLY	0	0.067	0.023	33.465	-0.003	-0.003	0.000	0.000	0.000	0.000
343	343	VAL	0	-0.050	-0.010	33.557	0.008	0.008	0.000	0.000	0.000	0.000
344	344	ALA	0	0.021	0.008	30.706	-0.011	-0.011	0.000	0.000	0.000	0.000
345	345	ILE	0	0.021	0.016	31.749	0.010	0.010	0.000	0.000	0.000	0.000
346	346	ASN	0	0.002	-0.003	30.117	-0.024	-0.024	0.000	0.000	0.000	0.000
347	347	MET	0	0.005	-0.003	31.360	0.009	0.009	0.000	0.000	0.000	0.000
348	348	VAL	0	-0.041	-0.006	31.947	-0.005	-0.005	0.000	0.000	0.000	0.000
349	349	THR	0	-0.019	-0.025	32.019	0.008	0.008	0.000	0.000	0.000	0.000
350	350	GLU	-1	-0.955	-1.003	34.518	-0.090	-0.090	0.000	0.000	0.000	0.000
351	351	GLU	-1	-0.958	-0.971	31.673	-0.102	-0.102	0.000	0.000	0.000	0.000
352	352	ASP	-1	-0.863	-0.898	29.458	-0.163	-0.163	0.000	0.000	0.000	0.000
353	353	LYS	1	0.913	0.955	31.656	0.095	0.095	0.000	0.000	0.000	0.000
354	354	ARG	1	0.873	0.928	32.646	0.093	0.093	0.000	0.000	0.000	0.000
355	355	THR	0	0.068	0.026	27.068	0.004	0.004	0.000	0.000	0.000	0.000
356	356	LEU	0	0.015	0.012	29.861	-0.004	-0.004	0.000	0.000	0.000	0.000
357	357	ARG	1	0.877	0.936	31.897	0.086	0.086	0.000	0.000	0.000	0.000
358	358	ASP	-1	-0.852	-0.925	29.626	-0.099	-0.099	0.000	0.000	0.000	0.000
359	359	ILE	0	-0.038	-0.011	27.362	-0.001	-0.001	0.000	0.000	0.000	0.000
360	360	GLU	-1	-0.799	-0.891	30.203	-0.092	-0.092	0.000	0.000	0.000	0.000
361	361	THR	0	-0.083	-0.057	33.591	0.006	0.006	0.000	0.000	0.000	0.000
362	362	PHE	0	-0.013	0.016	25.828	0.006	0.006	0.000	0.000	0.000	0.000
363	363	TYR	0	-0.035	-0.056	25.372	0.005	0.005	0.000	0.000	0.000	0.000
364	364	ASN	0	-0.069	-0.022	31.968	0.004	0.004	0.000	0.000	0.000	0.000
365	365	THR	0	-0.015	-0.005	33.160	0.004	0.004	0.000	0.000	0.000	0.000
366	366	SER	0	-0.031	-0.021	36.054	-0.002	-0.002	0.000	0.000	0.000	0.000
367	367	ILE	0	-0.054	-0.031	32.042	-0.006	-0.006	0.000	0.000	0.000	0.000
368	368	GLU	-1	-0.839	-0.902	36.598	-0.082	-0.082	0.000	0.000	0.000	0.000
369	369	GLU	-1	-0.957	-0.986	38.883	-0.092	-0.092	0.000	0.000	0.000	0.000
370	370	MET	0	-0.045	-0.010	39.055	-0.001	-0.001	0.000	0.000	0.000	0.000
371	371	PRO	0	-0.011	0.010	40.878	0.004	0.004	0.000	0.000	0.000	0.000
372	372	LEU	0	0.045	-0.006	43.220	-0.003	-0.003	0.000	0.000	0.000	0.000
373	373	ASN	0	-0.076	-0.034	44.589	-0.004	-0.004	0.000	0.000	0.000	0.000
374	374	VAL	0	0.023	0.001	38.765	0.000	0.000	0.000	0.000	0.000	0.000
375	375	ALA	0	0.005	-0.008	41.011	-0.003	-0.003	0.000	0.000	0.000	0.000
376	376	ASP	-1	-0.845	-0.902	42.052	-0.089	-0.089	0.000	0.000	0.000	0.000
377	377	LEU	0	-0.146	-0.062	40.446	0.003	0.003	0.000	0.000	0.000	0.000
378	378	ILE	-1	-0.952	-0.978	37.054	-0.117	-0.117	0.000	0.000	0.000	0.000
379	379	A	0	-0.363	-0.292	18.882	-0.010	-0.010	0.000	0.000	0.000	0.000
380	379	A	-1	-0.559	-0.652	14.469	-0.043	-0.043	0.000	0.000	0.000	0.000
381	380	G	0	-0.373	-0.318	17.002	-0.007	-0.007	0.000	0.000	0.000	0.000
382	380	G	-1	-0.520	-0.632	14.962	-0.161	-0.161	0.000	0.000	0.000	0.000
383	381	A	0	-0.361	-0.312	16.160	-0.011	-0.011	0.000	0.000	0.000	0.000
384	381	A	-1	-0.606	-0.669	15.090	-0.341	-0.341	0.000	0.000	0.000	0.000
385	382	G	0	-0.387	-0.320	13.283	-0.017	-0.017	0.000	0.000	0.000	0.000
386	382	G	-1	-0.576	-0.705	15.586	-0.447	-0.447	0.000	0.000	0.000	0.000
387	383	A	0	-0.329	-0.289	9.685	-0.086	-0.086	0.000	0.000	0.000	0.000
388	383	A	-1	-0.489	-0.612	10.888	-0.785	-0.785	0.000	0.000	0.000	0.000
389	384	G	0	-0.388	-0.321	5.792	-0.270	-0.270	0.000	0.000	0.000	0.000
390	384	G	-1	-0.456	-0.567	7.167	-1.182	-1.182	0.000	0.000	0.000	0.000
395	387	G	0	-0.342	-0.301	5.059	-0.244	-0.244	0.000	0.000	0.000	0.000
396	387	G	-1	-0.676	-0.707	6.545	-0.395	-0.395	0.000	0.000	0.000	0.000
397	388	G	0	-0.367	-0.316	8.399	0.147	0.147	0.000	0.000	0.000	0.000
398	388	G	0	0.298	0.246	9.026	0.072	0.072	0.000	0.000	0.000	0.000

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