FMO DATABASE

FMODB ID: 495VN

Calculation Name: 6XKI-A-MD433-100ns

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	V6D=1
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-7611853.7493
FMO2-HF: Nuclear repulsion	7442799.064853
FMO2-HF: Total energy	-169054.684447
FMO2-MP2: Total energy	-169532.007487

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.
-298.074234	-249.444354	53.969976	-21.769262	-80.830595	0.095858

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.
-249.572	-233.072	19.962	-7.543	-28.918	-0.042

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 : 1 / q_Mulliken : 0.998 / q_NPA : 1.008

Distance from base fragment(s) [Å]

Dist

Interaction energy by IFIE and PIEDA
[kcal/mol]

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

Fragment charge [e]

FCHARGE q_Mulliken
q_NPA q(I=>J)

Residue

Res # RES

Sort

Graph Options

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

frag_NumFragment number.	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].
82	82	ARG	1	0.869	0.899	2.675	41.853	42.461	0.502	-0.231	-0.878	-0.001
108	108	GLY	0	0.016	0.013	4.732	0.739	0.695	-0.001	-0.011	0.056	0.000
132	132	GLY	0	0.034	0.022	2.303	0.889	0.138	1.009	-0.137	-0.121	0.002
133	133	ARG	1	0.822	0.859	3.109	28.237	27.764	0.031	0.671	-0.228	-0.001
135	135	PHE	0	-0.002	0.002	5.289	1.552	1.596	-0.001	-0.001	-0.042	0.000
167	167	GLN	0	0.005	0.008	4.676	-0.795	-0.539	-0.001	-0.025	-0.230	0.000
276	276	GLY	0	0.024	-0.006	4.322	0.082	0.125	-0.001	-0.017	-0.026	0.000
277	277	ASP	-1	-0.995	-1.005	2.534	-78.782	-74.957	1.342	-2.399	-2.769	-0.032
278	278	MET	0	-0.037	0.019	3.809	3.177	3.193	0.001	0.064	-0.081	0.000
390	384	A	-1	-0.460	-0.592	4.024	-38.088	-37.641	0.001	-0.067	-0.381	0.000
391	385	A	0	-0.310	-0.284	2.681	-10.338	-2.238	8.148	-3.012	-13.235	-0.021
392	385	A	-1	-0.476	-0.577	2.249	-40.931	-36.806	5.424	-3.532	-6.017	0.004
393	386	A	0	-0.333	-0.291	2.711	-3.151	-1.725	3.276	-1.123	-3.579	0.008
394	386	A	-1	-0.553	-0.653	2.887	-32.878	-34.280	0.232	2.283	-1.113	-0.001
395	387	A	0	-0.340	-0.289	4.335	-0.616	-0.336	0.000	-0.006	-0.274	0.000
1	1	GLU	0	-0.099	-0.066	36.618	0.525	0.525	0.000	0.000	0.000	0.000
2	2	ILE	0	-0.011	-0.012	36.515	-0.247	-0.247	0.000	0.000	0.000	0.000
3	3	VAL	0	0.052	0.037	36.880	0.156	0.156	0.000	0.000	0.000	0.000
4	4	ASP	-1	-0.927	-0.961	37.447	-7.206	-7.206	0.000	0.000	0.000	0.000
5	5	SER	0	-0.009	-0.055	39.390	-0.060	-0.060	0.000	0.000	0.000	0.000
6	6	PHE	0	0.015	-0.012	32.871	-0.045	-0.045	0.000	0.000	0.000	0.000
7	7	ASP	-1	-0.851	-0.898	37.392	-7.059	-7.059	0.000	0.000	0.000	0.000
8	8	ASP	-1	-0.857	-0.917	40.355	-6.809	-6.809	0.000	0.000	0.000	0.000
9	9	MET	0	-0.144	-0.064	34.387	-0.122	-0.122	0.000	0.000	0.000	0.000
10	10	ASN	0	-0.057	-0.027	36.429	-0.134	-0.134	0.000	0.000	0.000	0.000
11	11	LEU	0	-0.013	0.004	32.810	-0.105	-0.105	0.000	0.000	0.000	0.000
12	12	SER	0	0.073	0.037	34.317	0.168	0.168	0.000	0.000	0.000	0.000
13	13	GLU	-1	-0.904	-0.963	36.665	-7.533	-7.533	0.000	0.000	0.000	0.000
14	14	SER	0	0.010	0.003	34.858	0.008	0.008	0.000	0.000	0.000	0.000
15	15	LEU	0	0.034	0.016	30.127	-0.195	-0.195	0.000	0.000	0.000	0.000
16	16	LEU	0	-0.023	-0.013	33.576	-0.150	-0.150	0.000	0.000	0.000	0.000
17	17	ARG	1	0.882	0.951	36.176	7.476	7.476	0.000	0.000	0.000	0.000
18	18	GLY	0	0.018	0.015	32.570	-0.009	-0.009	0.000	0.000	0.000	0.000
19	19	ILE	0	-0.019	-0.018	31.458	-0.192	-0.192	0.000	0.000	0.000	0.000
20	20	TYR	0	-0.034	-0.015	32.963	-0.061	-0.061	0.000	0.000	0.000	0.000
21	21	ALA	0	-0.027	-0.007	34.068	0.029	0.029	0.000	0.000	0.000	0.000
22	22	TYR	0	-0.029	-0.013	25.245	-0.267	-0.267	0.000	0.000	0.000	0.000
23	23	GLY	0	-0.019	-0.003	30.670	-0.225	-0.225	0.000	0.000	0.000	0.000
24	24	PHE	0	-0.022	-0.006	29.150	-0.007	-0.007	0.000	0.000	0.000	0.000
25	25	GLU	-1	-0.834	-0.935	33.715	-8.031	-8.031	0.000	0.000	0.000	0.000
26	26	LYS	1	0.868	0.922	36.960	7.388	7.388	0.000	0.000	0.000	0.000
27	27	PRO	0	0.001	0.027	34.282	-0.186	-0.186	0.000	0.000	0.000	0.000
28	28	SER	0	0.038	-0.003	30.938	0.210	0.210	0.000	0.000	0.000	0.000
29	29	ALA	0	0.019	0.000	33.934	-0.003	-0.003	0.000	0.000	0.000	0.000
30	30	ILE	0	0.009	0.004	28.252	0.136	0.136	0.000	0.000	0.000	0.000
31	31	GLN	0	0.007	0.012	28.794	0.262	0.262	0.000	0.000	0.000	0.000
32	32	GLN	0	-0.010	-0.016	31.366	0.120	0.120	0.000	0.000	0.000	0.000
33	33	ARG	1	0.868	0.933	32.831	8.330	8.330	0.000	0.000	0.000	0.000
34	34	ALA	0	0.010	0.003	28.330	0.051	0.051	0.000	0.000	0.000	0.000
35	35	ILE	0	0.059	0.041	29.177	-0.127	-0.127	0.000	0.000	0.000	0.000
36	36	LEU	0	0.034	0.021	30.595	-0.040	-0.040	0.000	0.000	0.000	0.000
37	37	PRO	0	-0.050	-0.038	30.650	0.036	0.036	0.000	0.000	0.000	0.000
38	38	CYS	0	-0.030	-0.012	26.483	-0.211	-0.211	0.000	0.000	0.000	0.000
39	39	ILE	0	0.044	0.032	27.643	-0.168	-0.168	0.000	0.000	0.000	0.000
40	40	LYS	1	0.878	0.943	30.094	7.736	7.736	0.000	0.000	0.000	0.000
41	41	GLY	0	0.059	0.040	27.913	0.155	0.155	0.000	0.000	0.000	0.000
42	42	TYR	0	-0.050	-0.023	27.599	-0.016	-0.016	0.000	0.000	0.000	0.000
43	43	ASP	-1	-0.783	-0.887	23.802	-10.891	-10.891	0.000	0.000	0.000	0.000
44	44	VAL	0	-0.062	-0.042	24.311	0.328	0.328	0.000	0.000	0.000	0.000
45	45	ILE	0	-0.007	0.000	22.939	-0.474	-0.474	0.000	0.000	0.000	0.000
46	46	ALA	0	0.027	-0.003	24.073	0.474	0.474	0.000	0.000	0.000	0.000
47	47	GLN	0	-0.010	0.001	24.545	-0.163	-0.163	0.000	0.000	0.000	0.000
48	48	ALA	0	-0.004	-0.017	24.860	0.272	0.272	0.000	0.000	0.000	0.000
49	49	GLN	0	0.026	0.006	24.799	-0.471	-0.471	0.000	0.000	0.000	0.000
50	50	SER	0	0.045	0.021	24.053	-0.161	-0.161	0.000	0.000	0.000	0.000
51	51	GLY	0	0.015	0.008	25.400	0.348	0.348	0.000	0.000	0.000	0.000
52	52	THR	0	-0.041	-0.017	27.529	0.363	0.363	0.000	0.000	0.000	0.000
53	53	GLY	0	0.070	0.054	26.779	0.282	0.282	0.000	0.000	0.000	0.000
54	54	LYS	1	0.797	0.882	19.816	13.847	13.847	0.000	0.000	0.000	0.000
55	55	THR	0	0.026	0.004	20.655	-0.221	-0.221	0.000	0.000	0.000	0.000
56	56	ALA	0	0.051	0.022	22.974	0.011	0.011	0.000	0.000	0.000	0.000
57	57	THR	0	-0.034	-0.016	25.434	0.314	0.314	0.000	0.000	0.000	0.000
58	58	PHE	0	0.041	0.020	19.252	0.249	0.249	0.000	0.000	0.000	0.000
59	59	ALA	0	0.024	0.016	23.070	0.132	0.132	0.000	0.000	0.000	0.000
60	60	ILE	0	0.031	0.013	24.096	0.166	0.166	0.000	0.000	0.000	0.000
61	61	SER	0	-0.026	-0.031	25.648	0.355	0.355	0.000	0.000	0.000	0.000
62	62	ILE	0	-0.003	0.011	20.652	0.031	0.031	0.000	0.000	0.000	0.000
63	63	LEU	0	-0.012	-0.016	24.943	0.196	0.196	0.000	0.000	0.000	0.000
64	64	GLN	0	-0.002	0.000	27.373	0.139	0.139	0.000	0.000	0.000	0.000
65	65	GLN	0	-0.078	-0.042	26.492	0.368	0.368	0.000	0.000	0.000	0.000
66	66	ILE	0	-0.078	-0.027	23.563	-0.026	-0.026	0.000	0.000	0.000	0.000
67	67	GLU	-1	-0.876	-0.935	27.671	-8.109	-8.109	0.000	0.000	0.000	0.000
68	68	LEU	0	0.030	-0.006	28.685	-0.269	-0.269	0.000	0.000	0.000	0.000
69	69	ASP	-1	-0.898	-0.933	30.318	-8.220	-8.220	0.000	0.000	0.000	0.000
70	70	LEU	0	-0.090	-0.039	26.469	-0.006	-0.006	0.000	0.000	0.000	0.000
71	71	LYS	1	0.945	0.972	26.271	8.982	8.982	0.000	0.000	0.000	0.000
72	72	ALA	0	-0.020	-0.016	22.673	-0.214	-0.214	0.000	0.000	0.000	0.000
73	73	THR	0	0.021	0.002	16.980	-0.050	-0.050	0.000	0.000	0.000	0.000
74	74	GLN	0	-0.005	0.006	20.381	0.161	0.161	0.000	0.000	0.000	0.000
75	75	ALA	0	-0.006	0.000	20.075	0.148	0.148	0.000	0.000	0.000	0.000
76	76	LEU	0	-0.030	-0.014	12.416	-0.279	-0.279	0.000	0.000	0.000	0.000
77	77	VAL	0	-0.003	0.007	15.661	0.109	0.109	0.000	0.000	0.000	0.000
78	78	LEU	0	0.000	-0.005	9.595	-0.833	-0.833	0.000	0.000	0.000	0.000
79	79	ALA	0	0.036	-0.002	11.027	1.014	1.014	0.000	0.000	0.000	0.000
80	80	PRO	0	0.034	0.020	9.539	-1.380	-1.380	0.000	0.000	0.000	0.000
81	81	THR	0	0.018	0.018	7.492	-1.960	-1.960	0.000	0.000	0.000	0.000
83	83	GLU	-1	-0.752	-0.860	8.950	-23.851	-23.851	0.000	0.000	0.000	0.000
84	84	LEU	0	-0.023	0.003	11.708	1.514	1.514	0.000	0.000	0.000	0.000
85	85	ALA	0	0.001	-0.003	11.155	1.224	1.224	0.000	0.000	0.000	0.000
86	86	GLN	0	0.011	-0.002	12.879	1.008	1.008	0.000	0.000	0.000	0.000
87	87	GLN	0	0.028	0.013	14.766	0.718	0.718	0.000	0.000	0.000	0.000
88	88	ILE	0	0.013	-0.004	15.300	0.887	0.887	0.000	0.000	0.000	0.000
89	89	GLN	0	0.012	0.000	17.003	0.556	0.556	0.000	0.000	0.000	0.000
90	90	LYS	1	0.873	0.936	18.729	14.058	14.058	0.000	0.000	0.000	0.000
91	91	VAL	0	0.011	0.011	21.151	0.537	0.537	0.000	0.000	0.000	0.000
92	92	VAL	0	0.003	-0.002	20.381	0.489	0.489	0.000	0.000	0.000	0.000
93	93	MET	0	-0.026	-0.012	22.605	0.375	0.375	0.000	0.000	0.000	0.000
94	94	ALA	0	-0.035	-0.003	24.983	0.369	0.369	0.000	0.000	0.000	0.000
95	95	LEU	0	-0.031	-0.013	26.245	0.369	0.369	0.000	0.000	0.000	0.000
96	96	GLY	0	0.024	-0.001	27.252	0.313	0.313	0.000	0.000	0.000	0.000
97	97	ASP	-1	-0.942	-0.959	28.493	-9.120	-9.120	0.000	0.000	0.000	0.000
98	98	TYR	0	0.001	-0.024	30.813	0.255	0.255	0.000	0.000	0.000	0.000
99	99	MET	0	-0.078	-0.029	30.380	0.130	0.130	0.000	0.000	0.000	0.000
100	100	GLY	0	0.002	0.019	31.423	0.095	0.095	0.000	0.000	0.000	0.000
101	101	ALA	0	-0.048	-0.012	26.648	-0.106	-0.106	0.000	0.000	0.000	0.000
102	102	SER	0	-0.016	-0.015	23.748	-0.270	-0.270	0.000	0.000	0.000	0.000
103	103	CYS	0	-0.054	-0.032	19.163	-0.275	-0.275	0.000	0.000	0.000	0.000
104	104	HIS	0	-0.005	-0.006	14.769	0.597	0.597	0.000	0.000	0.000	0.000
105	105	ALA	0	0.001	-0.006	13.561	-0.065	-0.065	0.000	0.000	0.000	0.000
106	106	CYS	0	-0.031	0.003	10.518	-0.158	-0.158	0.000	0.000	0.000	0.000
107	107	ILE	0	0.015	0.000	8.500	-0.916	-0.916	0.000	0.000	0.000	0.000
109	109	GLY	0	0.017	0.009	5.400	0.184	0.184	0.000	0.000	0.000	0.000
110	110	THR	0	-0.019	0.000	6.481	2.115	2.115	0.000	0.000	0.000	0.000
111	111	ASN	0	0.044	0.019	9.926	-0.604	-0.604	0.000	0.000	0.000	0.000
112	112	VAL	0	0.076	0.031	10.498	1.025	1.025	0.000	0.000	0.000	0.000
113	113	ARG	1	0.922	0.957	12.886	16.429	16.429	0.000	0.000	0.000	0.000
114	114	ALA	0	-0.006	0.002	15.566	0.865	0.865	0.000	0.000	0.000	0.000
115	115	GLU	-1	-0.778	-0.877	11.446	-19.123	-19.123	0.000	0.000	0.000	0.000
116	116	VAL	0	0.000	-0.004	15.072	0.551	0.551	0.000	0.000	0.000	0.000
117	117	GLN	0	-0.003	0.006	17.332	0.613	0.613	0.000	0.000	0.000	0.000
118	118	LYS	1	0.925	0.958	16.512	15.014	15.014	0.000	0.000	0.000	0.000
119	119	LEU	0	0.021	0.005	14.411	0.368	0.368	0.000	0.000	0.000	0.000
120	120	GLN	0	-0.007	0.009	18.914	0.308	0.308	0.000	0.000	0.000	0.000
121	121	MET	0	-0.076	-0.047	22.434	0.531	0.531	0.000	0.000	0.000	0.000
122	122	GLU	-1	-0.927	-0.969	20.870	-11.787	-11.787	0.000	0.000	0.000	0.000
123	123	ALA	0	-0.051	0.001	23.071	0.321	0.321	0.000	0.000	0.000	0.000
124	124	PRO	0	-0.013	0.001	19.210	0.245	0.245	0.000	0.000	0.000	0.000
125	125	HIS	0	0.053	0.021	22.211	-0.200	-0.200	0.000	0.000	0.000	0.000
126	126	ILE	0	-0.030	-0.014	18.824	-0.065	-0.065	0.000	0.000	0.000	0.000
127	127	ILE	0	-0.006	0.004	13.594	-0.241	-0.241	0.000	0.000	0.000	0.000
128	128	VAL	0	0.031	0.017	14.027	0.141	0.141	0.000	0.000	0.000	0.000
129	129	GLY	0	0.010	-0.011	10.712	-0.173	-0.173	0.000	0.000	0.000	0.000
130	130	THR	0	-0.008	-0.014	6.122	0.916	0.916	0.000	0.000	0.000	0.000
131	131	PRO	0	0.032	0.001	5.002	0.264	0.264	0.000	0.000	0.000	0.000
134	134	VAL	0	0.020	0.007	6.389	2.123	2.123	0.000	0.000	0.000	0.000
136	136	ASP	-1	-0.782	-0.843	6.784	-21.582	-21.582	0.000	0.000	0.000	0.000
137	137	MET	0	-0.028	-0.011	8.258	2.130	2.130	0.000	0.000	0.000	0.000
138	138	LEU	0	0.008	0.014	10.603	1.419	1.419	0.000	0.000	0.000	0.000
139	139	ASN	0	-0.024	0.002	9.797	1.672	1.672	0.000	0.000	0.000	0.000
140	140	ARG	1	0.800	0.866	10.079	21.748	21.748	0.000	0.000	0.000	0.000
141	141	ARG	1	0.836	0.920	14.199	14.917	14.917	0.000	0.000	0.000	0.000
142	142	TYR	0	-0.007	-0.008	14.335	0.782	0.782	0.000	0.000	0.000	0.000
143	143	LEU	0	0.034	0.033	12.867	0.409	0.409	0.000	0.000	0.000	0.000
144	144	SER	0	-0.015	-0.015	16.175	-0.025	-0.025	0.000	0.000	0.000	0.000
145	145	PRO	0	0.061	0.018	16.366	0.058	0.058	0.000	0.000	0.000	0.000
146	146	LYS	1	0.894	0.943	18.198	11.084	11.084	0.000	0.000	0.000	0.000
147	147	TYR	0	0.034	0.012	21.952	0.397	0.397	0.000	0.000	0.000	0.000
148	148	ILE	0	-0.027	0.011	17.025	0.095	0.095	0.000	0.000	0.000	0.000
149	149	LYS	1	0.921	0.959	21.248	9.704	9.704	0.000	0.000	0.000	0.000
150	150	MET	0	-0.018	0.014	21.460	0.126	0.126	0.000	0.000	0.000	0.000
151	151	PHE	0	0.008	0.001	12.188	-0.434	-0.434	0.000	0.000	0.000	0.000
152	152	VAL	0	0.013	-0.005	16.723	0.385	0.385	0.000	0.000	0.000	0.000
153	153	LEU	0	0.006	0.008	13.546	-0.797	-0.797	0.000	0.000	0.000	0.000
154	154	ASP	-1	-0.778	-0.881	15.607	-13.644	-13.644	0.000	0.000	0.000	0.000
155	155	GLU	-1	-0.866	-0.938	14.881	-15.990	-15.990	0.000	0.000	0.000	0.000
156	156	ALA	0	0.015	0.001	15.630	-0.629	-0.629	0.000	0.000	0.000	0.000
157	157	ASP	-1	-0.786	-0.854	15.729	-15.309	-15.309	0.000	0.000	0.000	0.000
158	158	GLU	-1	-0.850	-0.909	12.113	-19.755	-19.755	0.000	0.000	0.000	0.000
159	159	MET	0	-0.047	-0.004	10.192	-1.294	-1.294	0.000	0.000	0.000	0.000
160	160	LEU	0	-0.030	-0.023	11.789	-0.311	-0.311	0.000	0.000	0.000	0.000
161	161	SER	0	0.016	0.002	12.853	0.306	0.306	0.000	0.000	0.000	0.000
162	162	ARG	1	0.928	0.957	12.814	18.931	18.931	0.000	0.000	0.000	0.000
163	163	GLY	0	0.043	0.020	9.855	0.551	0.551	0.000	0.000	0.000	0.000
164	164	PHE	0	-0.003	0.009	7.173	-1.544	-1.544	0.000	0.000	0.000	0.000
165	165	LYS	1	0.862	0.919	8.817	17.619	17.619	0.000	0.000	0.000	0.000
166	166	ASP	-1	-0.870	-0.934	8.839	-18.179	-18.179	0.000	0.000	0.000	0.000
168	168	ILE	0	0.000	0.000	6.569	0.493	0.493	0.000	0.000	0.000	0.000
169	169	TYR	0	-0.016	-0.017	9.768	1.237	1.237	0.000	0.000	0.000	0.000
170	170	ASP	-1	-0.876	-0.942	7.911	-18.741	-18.741	0.000	0.000	0.000	0.000
171	171	ILE	0	-0.053	-0.025	6.829	0.712	0.712	0.000	0.000	0.000	0.000
172	172	PHE	0	0.010	-0.003	10.304	0.926	0.926	0.000	0.000	0.000	0.000
173	173	GLN	0	-0.013	-0.002	13.159	0.899	0.899	0.000	0.000	0.000	0.000
174	174	LYS	1	0.872	0.944	11.118	17.083	17.083	0.000	0.000	0.000	0.000
175	175	LEU	0	-0.037	0.000	14.891	0.403	0.403	0.000	0.000	0.000	0.000
176	176	ASN	0	-0.026	-0.017	17.597	0.553	0.553	0.000	0.000	0.000	0.000
177	177	SER	0	0.012	-0.011	21.422	-0.112	-0.112	0.000	0.000	0.000	0.000
178	178	ASN	0	-0.022	0.000	23.676	0.248	0.248	0.000	0.000	0.000	0.000
179	179	THR	0	-0.071	-0.024	18.863	-0.001	-0.001	0.000	0.000	0.000	0.000
180	180	GLN	0	0.038	0.021	22.200	-0.075	-0.075	0.000	0.000	0.000	0.000
181	181	VAL	0	-0.024	-0.020	18.496	-0.584	-0.584	0.000	0.000	0.000	0.000
182	182	VAL	0	-0.013	-0.009	20.200	0.459	0.459	0.000	0.000	0.000	0.000
183	183	LEU	0	-0.010	0.001	17.573	-0.668	-0.668	0.000	0.000	0.000	0.000
184	184	LEU	0	0.000	-0.005	19.463	0.621	0.621	0.000	0.000	0.000	0.000
185	185	SER	0	-0.034	-0.038	19.484	-0.651	-0.651	0.000	0.000	0.000	0.000
186	186	ALA	0	0.057	0.038	21.390	0.520	0.520	0.000	0.000	0.000	0.000
187	187	THR	0	-0.016	-0.015	20.828	0.530	0.530	0.000	0.000	0.000	0.000
188	188	MET	0	-0.019	-0.018	21.926	-0.458	-0.458	0.000	0.000	0.000	0.000
189	189	PRO	0	0.042	0.031	21.420	0.567	0.567	0.000	0.000	0.000	0.000
190	190	SER	0	-0.020	-0.015	23.679	-0.070	-0.070	0.000	0.000	0.000	0.000
191	191	ASP	-1	-0.857	-0.929	21.846	-11.933	-11.933	0.000	0.000	0.000	0.000
192	192	VAL	0	-0.027	-0.009	18.332	-0.373	-0.373	0.000	0.000	0.000	0.000
193	193	LEU	0	-0.025	-0.033	20.114	-0.069	-0.069	0.000	0.000	0.000	0.000
194	194	GLU	-1	-0.814	-0.871	22.159	-10.607	-10.607	0.000	0.000	0.000	0.000
195	195	VAL	0	-0.045	-0.028	15.736	0.040	0.040	0.000	0.000	0.000	0.000
196	196	THR	0	0.046	0.011	18.514	-0.109	-0.109	0.000	0.000	0.000	0.000
197	197	LYS	1	0.830	0.916	20.095	10.666	10.666	0.000	0.000	0.000	0.000
198	198	LYS	1	0.895	0.948	15.088	14.563	14.563	0.000	0.000	0.000	0.000
199	199	PHE	0	-0.041	-0.006	13.271	-0.248	-0.248	0.000	0.000	0.000	0.000
200	200	MET	0	0.045	0.032	18.813	0.107	0.107	0.000	0.000	0.000	0.000
201	201	ARG	1	0.825	0.899	22.406	10.568	10.568	0.000	0.000	0.000	0.000
202	202	ASP	-1	-0.941	-0.961	25.854	-8.751	-8.751	0.000	0.000	0.000	0.000
203	203	PRO	0	-0.005	0.013	25.023	0.107	0.107	0.000	0.000	0.000	0.000
204	204	ILE	0	0.005	-0.001	27.397	0.286	0.286	0.000	0.000	0.000	0.000
205	205	ARG	1	0.940	0.967	26.966	9.345	9.345	0.000	0.000	0.000	0.000
206	206	ILE	0	-0.013	-0.004	28.471	0.343	0.343	0.000	0.000	0.000	0.000
207	207	LEU	0	0.000	-0.006	27.042	-0.332	-0.332	0.000	0.000	0.000	0.000
208	208	VAL	0	0.000	-0.003	29.424	0.329	0.329	0.000	0.000	0.000	0.000
209	209	LYS	1	0.950	0.975	30.334	8.122	8.122	0.000	0.000	0.000	0.000
210	210	LYS	1	0.902	0.947	29.335	9.960	9.960	0.000	0.000	0.000	0.000
211	211	GLU	-1	-0.856	-0.932	30.449	-8.791	-8.791	0.000	0.000	0.000	0.000
212	212	GLU	-1	-0.980	-0.982	32.965	-8.323	-8.323	0.000	0.000	0.000	0.000
213	213	LEU	0	-0.067	-0.032	26.583	-0.080	-0.080	0.000	0.000	0.000	0.000
214	214	THR	0	-0.010	0.008	28.685	-0.307	-0.307	0.000	0.000	0.000	0.000
215	215	LEU	0	0.018	0.009	25.907	0.105	0.105	0.000	0.000	0.000	0.000
216	216	GLU	-1	-0.880	-0.952	30.583	-8.248	-8.248	0.000	0.000	0.000	0.000
217	217	GLY	0	0.034	0.011	34.031	-0.021	-0.021	0.000	0.000	0.000	0.000
218	218	ILE	0	-0.084	-0.030	28.731	0.018	0.018	0.000	0.000	0.000	0.000
219	219	ARG	1	0.865	0.928	32.173	8.906	8.906	0.000	0.000	0.000	0.000
220	220	GLN	0	0.001	-0.014	29.753	-0.735	-0.735	0.000	0.000	0.000	0.000
221	221	PHE	0	0.084	0.046	30.623	0.232	0.232	0.000	0.000	0.000	0.000
222	222	TYR	0	-0.070	-0.033	29.873	-0.476	-0.476	0.000	0.000	0.000	0.000
223	223	ILE	0	0.067	0.033	29.498	0.282	0.282	0.000	0.000	0.000	0.000
224	224	ASN	0	0.005	0.000	30.485	-0.492	-0.492	0.000	0.000	0.000	0.000
225	225	VAL	0	0.022	0.001	27.784	0.149	0.149	0.000	0.000	0.000	0.000
226	226	GLU	-1	-0.927	-0.943	31.184	-8.548	-8.548	0.000	0.000	0.000	0.000
227	227	ARG	1	0.810	0.894	30.866	8.823	8.823	0.000	0.000	0.000	0.000
228	228	GLU	-1	-0.863	-0.944	23.569	-12.755	-12.755	0.000	0.000	0.000	0.000
229	229	GLU	-1	-0.953	-0.973	26.463	-9.743	-9.743	0.000	0.000	0.000	0.000
230	230	TRP	0	0.034	0.021	28.419	0.123	0.123	0.000	0.000	0.000	0.000
231	231	LYS	1	0.824	0.927	21.020	13.449	13.449	0.000	0.000	0.000	0.000
232	232	LEU	0	-0.020	-0.025	23.137	-0.078	-0.078	0.000	0.000	0.000	0.000
233	233	ASP	-1	-0.837	-0.925	25.527	-10.082	-10.082	0.000	0.000	0.000	0.000
234	234	THR	0	0.032	0.006	28.626	0.248	0.248	0.000	0.000	0.000	0.000
235	235	LEU	0	-0.070	-0.038	22.200	-0.003	-0.003	0.000	0.000	0.000	0.000
236	236	CYS	0	-0.054	-0.026	26.650	-0.140	-0.140	0.000	0.000	0.000	0.000
237	237	ASP	-1	-0.886	-0.928	28.898	-9.009	-9.009	0.000	0.000	0.000	0.000
238	238	LEU	0	-0.026	-0.017	27.123	0.151	0.151	0.000	0.000	0.000	0.000
239	239	TYR	0	0.001	0.011	25.038	-0.197	-0.197	0.000	0.000	0.000	0.000
240	240	GLU	-1	-0.902	-0.945	29.385	-8.323	-8.323	0.000	0.000	0.000	0.000
241	241	THR	0	-0.004	-0.010	29.582	0.041	0.041	0.000	0.000	0.000	0.000
242	242	LEU	0	0.012	0.015	26.085	0.008	0.008	0.000	0.000	0.000	0.000
243	243	THR	0	-0.074	-0.049	29.968	0.057	0.057	0.000	0.000	0.000	0.000
244	244	ILE	0	-0.012	0.010	32.917	0.158	0.158	0.000	0.000	0.000	0.000
245	245	THR	0	-0.097	-0.059	29.053	-0.078	-0.078	0.000	0.000	0.000	0.000
246	246	GLN	0	-0.016	0.002	23.240	0.310	0.310	0.000	0.000	0.000	0.000
247	247	ALA	0	0.020	0.001	24.363	0.083	0.083	0.000	0.000	0.000	0.000
248	248	VAL	0	-0.012	-0.003	18.160	-0.395	-0.395	0.000	0.000	0.000	0.000
249	249	ILE	0	0.009	0.008	18.647	0.485	0.485	0.000	0.000	0.000	0.000
250	250	PHE	0	0.026	0.008	15.465	-0.796	-0.796	0.000	0.000	0.000	0.000
251	251	ILE	0	-0.044	-0.026	13.843	0.821	0.821	0.000	0.000	0.000	0.000
252	252	ASN	0	0.035	-0.004	13.885	-1.173	-1.173	0.000	0.000	0.000	0.000
253	253	THR	0	-0.069	-0.031	10.887	-0.824	-0.824	0.000	0.000	0.000	0.000
254	254	ARG	1	0.952	0.960	4.812	44.111	44.111	0.000	0.000	0.000	0.000
255	255	ARG	1	0.895	0.945	9.123	24.806	24.806	0.000	0.000	0.000	0.000
256	256	LYS	1	0.873	0.931	11.419	17.321	17.321	0.000	0.000	0.000	0.000
257	257	VAL	0	0.034	0.020	11.412	1.182	1.182	0.000	0.000	0.000	0.000
258	258	ASP	-1	-0.833	-0.898	9.855	-25.249	-25.249	0.000	0.000	0.000	0.000
259	259	TRP	0	-0.051	-0.018	13.288	1.118	1.118	0.000	0.000	0.000	0.000
260	260	LEU	0	0.005	-0.006	16.531	0.880	0.880	0.000	0.000	0.000	0.000
261	261	THR	0	0.015	0.000	14.995	1.039	1.039	0.000	0.000	0.000	0.000
262	262	GLU	-1	-0.911	-0.951	16.828	-14.753	-14.753	0.000	0.000	0.000	0.000
263	263	LYS	1	0.858	0.928	19.337	14.855	14.855	0.000	0.000	0.000	0.000
264	264	MET	0	0.000	0.005	21.478	0.762	0.762	0.000	0.000	0.000	0.000
265	265	HIS	0	0.037	0.027	21.631	0.495	0.495	0.000	0.000	0.000	0.000
266	266	ALA	0	-0.064	-0.031	23.442	0.454	0.454	0.000	0.000	0.000	0.000
267	267	ARG	1	0.802	0.896	25.324	11.295	11.295	0.000	0.000	0.000	0.000
268	268	ASP	-1	-0.918	-0.950	27.026	-9.981	-9.981	0.000	0.000	0.000	0.000
269	269	PHE	0	0.000	0.003	25.845	0.232	0.232	0.000	0.000	0.000	0.000
270	270	THR	0	-0.024	-0.015	23.758	-0.341	-0.341	0.000	0.000	0.000	0.000
271	271	VAL	0	-0.021	-0.016	19.202	0.168	0.168	0.000	0.000	0.000	0.000
272	272	SER	0	-0.005	0.014	17.892	-0.673	-0.673	0.000	0.000	0.000	0.000
273	273	ALA	0	0.042	0.004	14.302	0.175	0.175	0.000	0.000	0.000	0.000
274	274	MET	0	-0.030	-0.008	10.746	-0.110	-0.110	0.000	0.000	0.000	0.000
275	275	HIS	0	0.004	-0.019	6.905	-2.383	-2.383	0.000	0.000	0.000	0.000
279	279	ASP	-1	-0.852	-0.926	5.556	-33.494	-33.494	0.000	0.000	0.000	0.000
280	280	GLN	0	-0.047	-0.039	7.337	-1.145	-1.145	0.000	0.000	0.000	0.000
281	281	LYS	1	0.875	0.937	9.135	20.526	20.526	0.000	0.000	0.000	0.000
282	282	GLU	-1	-0.838	-0.925	10.289	-19.215	-19.215	0.000	0.000	0.000	0.000
283	283	ARG	1	0.797	0.854	4.889	38.352	38.352	0.000	0.000	0.000	0.000
284	284	ASP	-1	-0.869	-0.925	10.928	-16.641	-16.641	0.000	0.000	0.000	0.000
285	285	VAL	0	-0.024	-0.014	13.662	1.276	1.276	0.000	0.000	0.000	0.000
286	286	ILE	0	0.026	0.019	12.410	1.089	1.089	0.000	0.000	0.000	0.000
287	287	MET	0	0.021	0.014	14.781	1.409	1.409	0.000	0.000	0.000	0.000
288	288	ARG	1	0.820	0.889	16.650	16.729	16.729	0.000	0.000	0.000	0.000
289	289	GLU	-1	-0.847	-0.902	19.165	-12.308	-12.308	0.000	0.000	0.000	0.000
290	290	PHE	0	0.003	0.009	19.164	0.579	0.579	0.000	0.000	0.000	0.000
291	291	ARG	1	0.860	0.915	17.511	15.578	15.578	0.000	0.000	0.000	0.000
292	292	SER	0	-0.034	-0.014	22.654	0.467	0.467	0.000	0.000	0.000	0.000
293	293	GLY	0	-0.027	-0.017	24.545	0.503	0.503	0.000	0.000	0.000	0.000
294	294	SER	0	-0.089	-0.031	23.995	0.451	0.451	0.000	0.000	0.000	0.000
295	295	SER	0	0.017	0.008	20.145	0.218	0.218	0.000	0.000	0.000	0.000
296	296	ARG	1	0.882	0.935	23.122	10.172	10.172	0.000	0.000	0.000	0.000
297	297	VAL	0	0.025	-0.003	21.391	0.136	0.136	0.000	0.000	0.000	0.000
298	298	LEU	0	-0.025	0.002	15.418	-0.292	-0.292	0.000	0.000	0.000	0.000
299	299	ILE	0	0.006	-0.003	15.407	0.148	0.148	0.000	0.000	0.000	0.000
300	300	THR	0	-0.039	-0.033	11.922	-1.204	-1.204	0.000	0.000	0.000	0.000
301	301	THR	0	0.034	-0.006	8.407	1.502	1.502	0.000	0.000	0.000	0.000
302	302	ASP	-1	-0.792	-0.894	11.604	-18.472	-18.472	0.000	0.000	0.000	0.000
303	303	LEU	0	-0.023	0.004	7.292	0.122	0.122	0.000	0.000	0.000	0.000
304	304	LEU	0	-0.021	-0.024	10.262	0.864	0.864	0.000	0.000	0.000	0.000
305	305	ALA	0	0.014	0.016	13.815	1.427	1.427	0.000	0.000	0.000	0.000
306	306	ARG	1	0.771	0.870	14.254	17.698	17.698	0.000	0.000	0.000	0.000
307	307	GLY	0	0.045	0.020	15.858	-0.507	-0.507	0.000	0.000	0.000	0.000
308	308	ILE	0	-0.041	-0.017	14.740	0.615	0.615	0.000	0.000	0.000	0.000
309	309	ASP	-1	-0.830	-0.895	18.285	-12.229	-12.229	0.000	0.000	0.000	0.000
310	310	VAL	0	-0.014	-0.017	20.742	-0.117	-0.117	0.000	0.000	0.000	0.000
311	311	GLN	0	0.013	0.001	23.466	0.158	0.158	0.000	0.000	0.000	0.000
312	312	GLN	0	0.009	-0.019	26.209	0.176	0.176	0.000	0.000	0.000	0.000
313	313	VAL	0	-0.006	0.018	23.003	0.217	0.217	0.000	0.000	0.000	0.000
314	314	SER	0	-0.049	-0.031	26.407	0.181	0.181	0.000	0.000	0.000	0.000
315	315	LEU	0	0.052	0.028	26.306	0.010	0.010	0.000	0.000	0.000	0.000
316	316	VAL	0	-0.028	-0.015	21.699	-0.490	-0.490	0.000	0.000	0.000	0.000
317	317	ILE	0	0.026	0.016	22.519	0.400	0.400	0.000	0.000	0.000	0.000
318	318	ASN	0	-0.013	-0.012	20.917	-1.419	-1.419	0.000	0.000	0.000	0.000
319	319	TYR	0	0.084	0.033	19.352	0.505	0.505	0.000	0.000	0.000	0.000
320	320	ASP	-1	-0.791	-0.880	17.232	-15.757	-15.757	0.000	0.000	0.000	0.000
321	321	LEU	0	0.038	0.019	19.751	-0.240	-0.240	0.000	0.000	0.000	0.000
322	322	PRO	0	-0.010	0.027	18.513	-0.433	-0.433	0.000	0.000	0.000	0.000
323	323	THR	0	0.027	-0.006	17.394	0.522	0.522	0.000	0.000	0.000	0.000
324	324	ASN	0	-0.031	-0.028	18.380	0.969	0.969	0.000	0.000	0.000	0.000
325	325	ARG	1	0.963	0.986	20.385	12.536	12.536	0.000	0.000	0.000	0.000
326	326	GLU	-1	-0.828	-0.901	20.269	-13.805	-13.805	0.000	0.000	0.000	0.000
327	327	ASN	0	-0.059	-0.043	16.052	0.575	0.575	0.000	0.000	0.000	0.000
328	328	TYR	0	0.019	0.015	19.650	-0.238	-0.238	0.000	0.000	0.000	0.000
329	329	ILE	0	0.014	0.006	22.480	0.146	0.146	0.000	0.000	0.000	0.000
330	330	HIS	0	-0.074	-0.036	18.655	0.105	0.105	0.000	0.000	0.000	0.000
331	331	ARG	1	0.813	0.875	15.629	16.841	16.841	0.000	0.000	0.000	0.000
332	332	ILE	0	0.036	0.012	20.355	0.137	0.137	0.000	0.000	0.000	0.000
333	333	GLY	0	0.012	0.019	23.333	0.403	0.403	0.000	0.000	0.000	0.000
334	334	ARG	1	0.783	0.894	18.375	14.785	14.785	0.000	0.000	0.000	0.000
335	335	GLY	0	-0.004	0.014	22.606	0.142	0.142	0.000	0.000	0.000	0.000
336	336	GLY	0	-0.011	0.001	25.975	0.286	0.286	0.000	0.000	0.000	0.000
337	337	ARG	1	0.777	0.891	23.353	11.854	11.854	0.000	0.000	0.000	0.000
338	338	PHE	0	-0.019	-0.014	28.914	0.228	0.228	0.000	0.000	0.000	0.000
339	339	GLY	0	0.019	0.018	31.537	0.185	0.185	0.000	0.000	0.000	0.000
340	340	ARG	1	0.896	0.942	30.792	9.888	9.888	0.000	0.000	0.000	0.000
341	341	LYS	1	0.880	0.953	31.777	8.424	8.424	0.000	0.000	0.000	0.000
342	342	GLY	0	0.066	0.034	29.210	0.063	0.063	0.000	0.000	0.000	0.000
343	343	VAL	0	-0.044	-0.008	28.922	0.316	0.316	0.000	0.000	0.000	0.000
344	344	ALA	0	0.018	0.013	26.499	-0.392	-0.392	0.000	0.000	0.000	0.000
345	345	ILE	0	0.038	0.021	26.515	0.370	0.370	0.000	0.000	0.000	0.000
346	346	ASN	0	-0.032	-0.021	25.599	-1.013	-1.013	0.000	0.000	0.000	0.000
347	347	MET	0	-0.002	0.007	24.710	0.246	0.246	0.000	0.000	0.000	0.000
348	348	VAL	0	-0.017	-0.003	25.758	-0.331	-0.331	0.000	0.000	0.000	0.000
349	349	THR	0	0.023	-0.012	26.781	0.461	0.461	0.000	0.000	0.000	0.000
350	350	GLU	-1	-0.929	-0.983	29.184	-8.826	-8.826	0.000	0.000	0.000	0.000
351	351	GLU	-1	-0.801	-0.886	26.271	-10.899	-10.899	0.000	0.000	0.000	0.000
352	352	ASP	-1	-0.848	-0.883	24.273	-12.399	-12.399	0.000	0.000	0.000	0.000
353	353	LYS	1	0.954	0.973	26.783	8.778	8.778	0.000	0.000	0.000	0.000
354	354	ARG	1	0.808	0.882	28.027	10.779	10.779	0.000	0.000	0.000	0.000
355	355	THR	0	0.049	0.025	23.250	0.136	0.136	0.000	0.000	0.000	0.000
356	356	LEU	0	0.012	0.008	26.739	-0.092	-0.092	0.000	0.000	0.000	0.000
357	357	ARG	1	0.860	0.923	28.318	8.847	8.847	0.000	0.000	0.000	0.000
358	358	ASP	-1	-0.894	-0.938	27.861	-10.374	-10.374	0.000	0.000	0.000	0.000
359	359	ILE	0	-0.069	-0.038	23.978	-0.060	-0.060	0.000	0.000	0.000	0.000
360	360	GLU	-1	-0.824	-0.909	28.239	-8.855	-8.855	0.000	0.000	0.000	0.000
361	361	THR	0	-0.038	-0.028	31.773	0.206	0.206	0.000	0.000	0.000	0.000
362	362	PHE	0	-0.013	0.003	26.773	0.121	0.121	0.000	0.000	0.000	0.000
363	363	TYR	0	-0.061	-0.069	24.477	0.087	0.087	0.000	0.000	0.000	0.000
364	364	ASN	0	-0.081	-0.033	31.340	0.210	0.210	0.000	0.000	0.000	0.000
365	365	THR	0	-0.009	-0.001	31.462	0.134	0.134	0.000	0.000	0.000	0.000
366	366	SER	0	-0.029	-0.027	34.645	0.162	0.162	0.000	0.000	0.000	0.000
367	367	ILE	0	-0.049	-0.010	30.337	-0.137	-0.137	0.000	0.000	0.000	0.000
368	368	GLU	-1	-0.940	-0.957	33.634	-8.040	-8.040	0.000	0.000	0.000	0.000
369	369	GLU	-1	-0.952	-0.991	34.457	-8.414	-8.414	0.000	0.000	0.000	0.000
370	370	MET	0	-0.043	-0.020	32.472	-0.016	-0.016	0.000	0.000	0.000	0.000
371	371	PRO	0	0.004	0.017	34.905	0.137	0.137	0.000	0.000	0.000	0.000
372	372	LEU	0	0.007	-0.003	36.776	-0.130	-0.130	0.000	0.000	0.000	0.000
373	373	ASN	0	-0.008	-0.010	38.363	-0.156	-0.156	0.000	0.000	0.000	0.000
374	374	VAL	0	0.083	0.023	34.660	-0.045	-0.045	0.000	0.000	0.000	0.000
375	375	ALA	0	-0.058	-0.030	37.296	-0.087	-0.087	0.000	0.000	0.000	0.000
376	376	ASP	-1	-0.930	-0.961	40.023	-7.223	-7.223	0.000	0.000	0.000	0.000
377	377	LEU	0	-0.096	-0.028	32.213	-0.120	-0.120	0.000	0.000	0.000	0.000
378	378	ILE	-1	-0.883	-0.934	31.630	-8.656	-8.656	0.000	0.000	0.000	0.000
379	379	A	0	-0.371	-0.279	19.664	-0.021	-0.021	0.000	0.000	0.000	0.000
380	379	A	-1	-0.577	-0.682	18.057	-14.315	-14.315	0.000	0.000	0.000	0.000
381	380	G	0	-0.351	-0.309	16.071	-0.489	-0.489	0.000	0.000	0.000	0.000
382	380	G	-1	-0.582	-0.665	14.287	-19.347	-19.347	0.000	0.000	0.000	0.000
383	381	A	0	-0.367	-0.292	15.836	-0.001	-0.001	0.000	0.000	0.000	0.000
384	381	A	-1	-0.561	-0.663	11.145	-24.651	-24.651	0.000	0.000	0.000	0.000
385	382	G	0	-0.381	-0.319	11.979	-0.816	-0.816	0.000	0.000	0.000	0.000
386	382	G	-1	-0.516	-0.648	8.556	-30.022	-30.022	0.000	0.000	0.000	0.000
387	383	A	0	-0.355	-0.310	8.803	-0.038	-0.038	0.000	0.000	0.000	0.000
388	383	A	-1	-0.442	-0.557	5.333	-37.383	-37.383	0.000	0.000	0.000	0.000
389	384	A	0	-0.370	-0.309	5.697	-2.929	-2.929	0.000	0.000	0.000	0.000
396	387	A	-1	-0.652	-0.683	8.011	-20.272	-20.272	0.000	0.000	0.000	0.000
397	388	G	0	-0.389	-0.313	5.185	0.776	0.776	0.000	0.000	0.000	0.000
398	388	G	0	0.297	0.220	5.527	-3.003	-3.003	0.000	0.000	0.000	0.000

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