FMO DATABASE

FMODB ID: 524VZ

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

Preferred Name:

Target Type:

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

ligand 3-letter code: V6D

PDB ID: 6XKI

Chain ID: A

ChEMBL ID:

UniProt ID:

Base Structure: MD

Registration Date: 2023-09-19

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

DOI:

IFIE MAP

IFIE Diagram

Modeling method

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

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Manual
Number of fragment	400
LigandCharge	V6D=1
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-7606037.900287
FMO2-HF: Nuclear repulsion	7436983.37389
FMO2-HF: Total energy	-169054.526397
FMO2-MP2: Total energy	-169531.879105

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.
-293.432142	-247.519917	62.529930	-23.756315	-84.685840	0.099089

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.
-246.765	-231.398	24.742	-9.071	-31.039	-0.057

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 : 0.971 / q_NPA : 1.003

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	0.878	0.911	2.319	46.563	46.736	1.529	-0.370	-1.332	0.000
108	108	GLY	0	0.020	0.014	4.377	1.093	1.057	-0.001	-0.015	0.051	0.000
132	132	GLY	0	0.033	0.017	2.208	1.411	0.313	1.536	-0.336	-0.102	0.002
133	133	ARG	1	0.838	0.881	3.015	28.793	27.950	0.040	1.052	-0.249	-0.001
135	135	PHE	0	0.003	-0.008	5.280	1.650	1.718	-0.001	-0.001	-0.066	0.000
167	167	GLN	0	0.022	-0.002	4.440	-0.384	-0.099	0.000	-0.050	-0.235	0.000
254	254	ARG	1	0.960	0.975	4.529	43.603	43.761	-0.001	-0.010	-0.148	0.000
276	276	GLY	0	0.013	-0.020	3.369	0.395	0.558	0.024	-0.057	-0.131	0.000
277	277	ASP	-1	-1.031	-1.008	2.711	-62.104	-59.329	0.785	-1.612	-1.948	-0.020
278	278	MET	0	-0.017	0.031	3.901	5.118	5.164	0.004	-0.013	-0.036	0.000
388	383	A	-1	-0.435	-0.569	4.689	-40.422	-40.165	-0.001	-0.027	-0.228	0.000
389	384	A	0	-0.361	-0.310	3.983	-6.602	-5.813	0.003	-0.121	-0.672	-0.001
390	384	A	-1	-0.461	-0.581	4.228	-39.923	-39.473	0.000	-0.053	-0.396	0.000
391	385	A	0	-0.304	-0.280	1.874	-15.192	-7.719	12.123	-4.948	-14.647	-0.047
392	385	A	-1	-0.442	-0.579	2.245	-42.740	-38.471	5.592	-3.611	-6.249	0.002
393	386	A	0	-0.341	-0.293	2.728	-2.680	-1.187	2.837	-1.058	-3.273	0.010
394	386	A	-1	-0.541	-0.630	2.988	-31.178	-32.233	0.273	2.159	-1.378	-0.002
1	1	GLU	0	-0.104	-0.074	38.191	0.548	0.548	0.000	0.000	0.000	0.000
2	2	ILE	0	0.018	0.010	38.241	-0.210	-0.210	0.000	0.000	0.000	0.000
3	3	VAL	0	0.012	0.011	37.882	0.179	0.179	0.000	0.000	0.000	0.000
4	4	ASP	-1	-0.909	-0.956	38.442	-7.216	-7.216	0.000	0.000	0.000	0.000
5	5	SER	0	0.028	-0.022	40.015	-0.077	-0.077	0.000	0.000	0.000	0.000
6	6	PHE	0	0.018	-0.008	33.343	-0.046	-0.046	0.000	0.000	0.000	0.000
7	7	ASP	-1	-0.872	-0.917	38.010	-7.155	-7.155	0.000	0.000	0.000	0.000
8	8	ASP	-1	-0.847	-0.912	40.893	-6.864	-6.864	0.000	0.000	0.000	0.000
9	9	MET	0	-0.142	-0.072	34.921	-0.077	-0.077	0.000	0.000	0.000	0.000
10	10	ASN	0	-0.112	-0.055	37.392	-0.008	-0.008	0.000	0.000	0.000	0.000
11	11	LEU	0	-0.007	0.011	33.434	-0.095	-0.095	0.000	0.000	0.000	0.000
12	12	SER	0	0.032	0.006	34.693	0.153	0.153	0.000	0.000	0.000	0.000
13	13	GLU	-1	-0.936	-0.964	36.584	-7.208	-7.208	0.000	0.000	0.000	0.000
14	14	SER	0	0.001	-0.008	34.821	-0.076	-0.076	0.000	0.000	0.000	0.000
15	15	LEU	0	0.030	0.015	29.983	-0.168	-0.168	0.000	0.000	0.000	0.000
16	16	LEU	0	-0.006	0.004	33.618	-0.168	-0.168	0.000	0.000	0.000	0.000
17	17	ARG	1	0.926	0.969	36.272	7.896	7.896	0.000	0.000	0.000	0.000
18	18	GLY	0	0.042	0.027	32.344	-0.025	-0.025	0.000	0.000	0.000	0.000
19	19	ILE	0	-0.039	-0.032	31.894	-0.233	-0.233	0.000	0.000	0.000	0.000
20	20	TYR	0	-0.027	-0.018	33.164	-0.024	-0.024	0.000	0.000	0.000	0.000
21	21	ALA	0	-0.032	0.000	32.819	0.070	0.070	0.000	0.000	0.000	0.000
22	22	TYR	0	-0.045	-0.029	25.210	-0.334	-0.334	0.000	0.000	0.000	0.000
23	23	GLY	0	0.002	0.005	30.926	-0.170	-0.170	0.000	0.000	0.000	0.000
24	24	PHE	0	-0.021	-0.003	29.275	0.026	0.026	0.000	0.000	0.000	0.000
25	25	GLU	-1	-0.852	-0.930	34.550	-7.980	-7.980	0.000	0.000	0.000	0.000
26	26	LYS	1	0.865	0.916	37.952	7.327	7.327	0.000	0.000	0.000	0.000
27	27	PRO	0	-0.012	0.021	35.008	-0.202	-0.202	0.000	0.000	0.000	0.000
28	28	SER	0	0.036	0.002	31.165	0.215	0.215	0.000	0.000	0.000	0.000
29	29	ALA	0	0.043	0.008	34.425	0.043	0.043	0.000	0.000	0.000	0.000
30	30	ILE	0	-0.010	-0.009	28.595	0.096	0.096	0.000	0.000	0.000	0.000
31	31	GLN	0	-0.002	0.010	29.593	0.286	0.286	0.000	0.000	0.000	0.000
32	32	GLN	0	-0.020	-0.007	32.280	0.209	0.209	0.000	0.000	0.000	0.000
33	33	ARG	1	0.920	0.959	33.844	8.599	8.599	0.000	0.000	0.000	0.000
34	34	ALA	0	0.005	-0.007	28.652	0.036	0.036	0.000	0.000	0.000	0.000
35	35	ILE	0	0.052	0.042	29.731	-0.142	-0.142	0.000	0.000	0.000	0.000
36	36	LEU	0	0.042	0.022	30.929	-0.038	-0.038	0.000	0.000	0.000	0.000
37	37	PRO	0	-0.039	-0.036	31.126	0.063	0.063	0.000	0.000	0.000	0.000
38	38	CYS	0	-0.016	0.003	27.139	-0.169	-0.169	0.000	0.000	0.000	0.000
39	39	ILE	0	0.037	0.023	28.744	-0.101	-0.101	0.000	0.000	0.000	0.000
40	40	LYS	1	0.873	0.938	30.979	7.864	7.864	0.000	0.000	0.000	0.000
41	41	GLY	0	0.049	0.038	28.668	0.135	0.135	0.000	0.000	0.000	0.000
42	42	TYR	0	-0.068	-0.034	28.338	-0.059	-0.059	0.000	0.000	0.000	0.000
43	43	ASP	-1	-0.781	-0.884	25.183	-10.915	-10.915	0.000	0.000	0.000	0.000
44	44	VAL	0	-0.062	-0.042	25.227	0.328	0.328	0.000	0.000	0.000	0.000
45	45	ILE	0	-0.015	-0.004	23.782	-0.435	-0.435	0.000	0.000	0.000	0.000
46	46	ALA	0	0.024	-0.008	24.722	0.488	0.488	0.000	0.000	0.000	0.000
47	47	GLN	0	0.025	0.009	25.092	-0.151	-0.151	0.000	0.000	0.000	0.000
48	48	ALA	0	-0.035	-0.025	25.315	0.329	0.329	0.000	0.000	0.000	0.000
49	49	GLN	0	0.057	0.022	25.412	-0.559	-0.559	0.000	0.000	0.000	0.000
50	50	SER	0	0.030	0.020	24.723	-0.203	-0.203	0.000	0.000	0.000	0.000
51	51	GLY	0	0.027	0.018	26.005	0.343	0.343	0.000	0.000	0.000	0.000
52	52	THR	0	-0.029	-0.025	27.679	0.365	0.365	0.000	0.000	0.000	0.000
53	53	GLY	0	0.043	0.036	27.134	0.273	0.273	0.000	0.000	0.000	0.000
54	54	LYS	1	0.819	0.897	19.977	14.322	14.322	0.000	0.000	0.000	0.000
55	55	THR	0	0.034	0.009	20.939	-0.200	-0.200	0.000	0.000	0.000	0.000
56	56	ALA	0	0.061	0.023	23.112	0.047	0.047	0.000	0.000	0.000	0.000
57	57	THR	0	-0.029	-0.006	26.024	0.351	0.351	0.000	0.000	0.000	0.000
58	58	PHE	0	0.047	0.020	19.331	0.277	0.277	0.000	0.000	0.000	0.000
59	59	ALA	0	0.015	0.010	23.461	0.104	0.104	0.000	0.000	0.000	0.000
60	60	ILE	0	0.024	0.008	24.489	0.196	0.196	0.000	0.000	0.000	0.000
61	61	SER	0	-0.018	-0.027	26.030	0.353	0.353	0.000	0.000	0.000	0.000
62	62	ILE	0	-0.011	0.001	20.826	0.066	0.066	0.000	0.000	0.000	0.000
63	63	LEU	0	-0.011	-0.004	25.111	0.228	0.228	0.000	0.000	0.000	0.000
64	64	GLN	0	0.025	0.013	27.497	0.188	0.188	0.000	0.000	0.000	0.000
65	65	GLN	0	-0.062	-0.036	27.268	0.397	0.397	0.000	0.000	0.000	0.000
66	66	ILE	0	-0.063	-0.013	23.944	-0.090	-0.090	0.000	0.000	0.000	0.000
67	67	GLU	-1	-0.877	-0.929	27.910	-8.203	-8.203	0.000	0.000	0.000	0.000
68	68	LEU	0	0.053	0.015	29.110	-0.279	-0.279	0.000	0.000	0.000	0.000
69	69	ASP	-1	-0.914	-0.945	30.112	-8.364	-8.364	0.000	0.000	0.000	0.000
70	70	LEU	0	-0.095	-0.041	26.433	0.021	0.021	0.000	0.000	0.000	0.000
71	71	LYS	1	0.951	0.972	26.019	9.219	9.219	0.000	0.000	0.000	0.000
72	72	ALA	0	-0.022	-0.002	22.737	-0.271	-0.271	0.000	0.000	0.000	0.000
73	73	THR	0	0.002	-0.009	17.266	0.023	0.023	0.000	0.000	0.000	0.000
74	74	GLN	0	-0.021	-0.020	20.605	0.120	0.120	0.000	0.000	0.000	0.000
75	75	ALA	0	-0.007	-0.002	20.229	0.138	0.138	0.000	0.000	0.000	0.000
76	76	LEU	0	-0.021	-0.007	12.495	-0.286	-0.286	0.000	0.000	0.000	0.000
77	77	VAL	0	-0.008	-0.003	15.445	0.182	0.182	0.000	0.000	0.000	0.000
78	78	LEU	0	-0.027	-0.012	9.015	-0.962	-0.962	0.000	0.000	0.000	0.000
79	79	ALA	0	0.046	0.004	11.353	1.211	1.211	0.000	0.000	0.000	0.000
80	80	PRO	0	0.017	0.011	9.955	-1.417	-1.417	0.000	0.000	0.000	0.000
81	81	THR	0	0.023	0.018	7.917	-2.329	-2.329	0.000	0.000	0.000	0.000
83	83	GLU	-1	-0.763	-0.866	9.273	-23.512	-23.512	0.000	0.000	0.000	0.000
84	84	LEU	0	-0.004	0.007	12.219	1.557	1.557	0.000	0.000	0.000	0.000
85	85	ALA	0	0.002	0.004	11.540	1.219	1.219	0.000	0.000	0.000	0.000
86	86	GLN	0	0.006	-0.009	12.362	2.171	2.171	0.000	0.000	0.000	0.000
87	87	GLN	0	-0.020	0.007	15.504	0.735	0.735	0.000	0.000	0.000	0.000
88	88	ILE	0	0.040	0.008	15.970	0.873	0.873	0.000	0.000	0.000	0.000
89	89	GLN	0	-0.022	-0.013	17.368	0.504	0.504	0.000	0.000	0.000	0.000
90	90	LYS	1	0.959	0.977	18.196	15.763	15.763	0.000	0.000	0.000	0.000
91	91	VAL	0	-0.017	0.004	21.448	0.563	0.563	0.000	0.000	0.000	0.000
92	92	VAL	0	-0.001	-0.012	20.669	0.530	0.530	0.000	0.000	0.000	0.000
93	93	MET	0	-0.010	-0.003	22.725	0.425	0.425	0.000	0.000	0.000	0.000
94	94	ALA	0	-0.008	0.010	25.155	0.390	0.390	0.000	0.000	0.000	0.000
95	95	LEU	0	-0.057	-0.020	26.041	0.395	0.395	0.000	0.000	0.000	0.000
96	96	GLY	0	0.011	-0.017	27.332	0.350	0.350	0.000	0.000	0.000	0.000
97	97	ASP	-1	-0.958	-0.962	28.465	-9.504	-9.504	0.000	0.000	0.000	0.000
98	98	TYR	0	-0.023	-0.027	30.352	0.329	0.329	0.000	0.000	0.000	0.000
99	99	MET	0	-0.066	-0.030	30.601	0.119	0.119	0.000	0.000	0.000	0.000
100	100	GLY	0	0.018	0.015	30.931	0.126	0.126	0.000	0.000	0.000	0.000
101	101	ALA	0	-0.030	-0.009	26.387	-0.125	-0.125	0.000	0.000	0.000	0.000
102	102	SER	0	-0.022	-0.015	23.732	-0.275	-0.275	0.000	0.000	0.000	0.000
103	103	CYS	0	-0.031	-0.022	19.456	-0.391	-0.391	0.000	0.000	0.000	0.000
104	104	HIS	0	-0.006	-0.013	15.022	0.654	0.654	0.000	0.000	0.000	0.000
105	105	ALA	0	-0.005	-0.002	13.696	-0.201	-0.201	0.000	0.000	0.000	0.000
106	106	CYS	0	-0.048	-0.008	10.669	0.208	0.208	0.000	0.000	0.000	0.000
107	107	ILE	0	-0.011	-0.009	8.146	-1.155	-1.155	0.000	0.000	0.000	0.000
109	109	GLY	0	0.018	0.008	5.426	-0.131	-0.131	0.000	0.000	0.000	0.000
110	110	THR	0	-0.033	-0.012	6.706	2.553	2.553	0.000	0.000	0.000	0.000
111	111	ASN	0	0.058	0.021	9.749	-0.761	-0.761	0.000	0.000	0.000	0.000
112	112	VAL	0	0.084	0.044	10.232	0.961	0.961	0.000	0.000	0.000	0.000
113	113	ARG	1	0.923	0.954	12.858	15.702	15.702	0.000	0.000	0.000	0.000
114	114	ALA	0	-0.024	-0.008	15.572	0.894	0.894	0.000	0.000	0.000	0.000
115	115	GLU	-1	-0.740	-0.859	11.787	-18.927	-18.927	0.000	0.000	0.000	0.000
116	116	VAL	0	-0.002	-0.008	15.225	0.607	0.607	0.000	0.000	0.000	0.000
117	117	GLN	0	-0.008	0.000	17.446	0.350	0.350	0.000	0.000	0.000	0.000
118	118	LYS	1	0.874	0.938	17.500	13.533	13.533	0.000	0.000	0.000	0.000
119	119	LEU	0	0.022	0.002	14.948	0.435	0.435	0.000	0.000	0.000	0.000
120	120	GLN	0	-0.053	-0.020	19.383	0.285	0.285	0.000	0.000	0.000	0.000
121	121	MET	0	-0.091	-0.056	22.810	0.547	0.547	0.000	0.000	0.000	0.000
122	122	GLU	-1	-0.805	-0.891	21.366	-11.671	-11.671	0.000	0.000	0.000	0.000
123	123	ALA	0	-0.085	-0.013	23.147	0.240	0.240	0.000	0.000	0.000	0.000
124	124	PRO	0	0.011	-0.001	18.924	0.206	0.206	0.000	0.000	0.000	0.000
125	125	HIS	0	0.040	0.030	21.769	-0.279	-0.279	0.000	0.000	0.000	0.000
126	126	ILE	0	-0.032	-0.016	19.085	-0.044	-0.044	0.000	0.000	0.000	0.000
127	127	ILE	0	0.003	-0.002	13.722	-0.210	-0.210	0.000	0.000	0.000	0.000
128	128	VAL	0	0.024	0.018	13.874	0.072	0.072	0.000	0.000	0.000	0.000
129	129	GLY	0	0.018	-0.002	10.408	-0.126	-0.126	0.000	0.000	0.000	0.000
130	130	THR	0	-0.008	-0.009	6.159	0.942	0.942	0.000	0.000	0.000	0.000
131	131	PRO	0	0.025	-0.003	5.001	0.444	0.444	0.000	0.000	0.000	0.000
134	134	VAL	0	0.032	0.011	6.294	2.258	2.258	0.000	0.000	0.000	0.000
136	136	ASP	-1	-0.790	-0.845	6.258	-21.768	-21.768	0.000	0.000	0.000	0.000
137	137	MET	0	-0.027	-0.014	7.852	2.351	2.351	0.000	0.000	0.000	0.000
138	138	LEU	0	-0.005	0.005	10.424	1.552	1.552	0.000	0.000	0.000	0.000
139	139	ASN	0	-0.034	-0.003	9.717	1.954	1.954	0.000	0.000	0.000	0.000
140	140	ARG	1	0.761	0.848	9.588	21.857	21.857	0.000	0.000	0.000	0.000
141	141	ARG	1	0.899	0.946	13.838	14.125	14.125	0.000	0.000	0.000	0.000
142	142	TYR	0	-0.007	-0.003	14.438	0.440	0.440	0.000	0.000	0.000	0.000
143	143	LEU	0	0.024	0.026	12.557	0.592	0.592	0.000	0.000	0.000	0.000
144	144	SER	0	-0.008	-0.008	16.362	0.049	0.049	0.000	0.000	0.000	0.000
145	145	PRO	0	0.047	0.002	16.630	0.292	0.292	0.000	0.000	0.000	0.000
146	146	LYS	1	0.901	0.958	19.092	9.680	9.680	0.000	0.000	0.000	0.000
147	147	TYR	0	-0.003	-0.012	22.341	0.386	0.386	0.000	0.000	0.000	0.000
148	148	ILE	0	-0.013	0.016	16.960	0.073	0.073	0.000	0.000	0.000	0.000
149	149	LYS	1	0.898	0.952	21.243	9.872	9.872	0.000	0.000	0.000	0.000
150	150	MET	0	-0.022	0.004	21.551	0.207	0.207	0.000	0.000	0.000	0.000
151	151	PHE	0	0.019	-0.001	13.070	-0.457	-0.457	0.000	0.000	0.000	0.000
152	152	VAL	0	-0.003	-0.009	16.971	0.478	0.478	0.000	0.000	0.000	0.000
153	153	LEU	0	0.000	0.008	13.352	-0.907	-0.907	0.000	0.000	0.000	0.000
154	154	ASP	-1	-0.768	-0.873	15.884	-14.107	-14.107	0.000	0.000	0.000	0.000
155	155	GLU	-1	-0.869	-0.943	15.202	-16.828	-16.828	0.000	0.000	0.000	0.000
156	156	ALA	0	0.010	-0.011	16.196	-0.744	-0.744	0.000	0.000	0.000	0.000
157	157	ASP	-1	-0.787	-0.843	16.856	-15.808	-15.808	0.000	0.000	0.000	0.000
158	158	GLU	-1	-0.868	-0.931	12.347	-22.068	-22.068	0.000	0.000	0.000	0.000
159	159	MET	0	-0.082	-0.018	9.393	-1.136	-1.136	0.000	0.000	0.000	0.000
160	160	LEU	0	-0.036	-0.022	12.585	-0.345	-0.345	0.000	0.000	0.000	0.000
161	161	SER	0	0.002	0.002	13.415	0.429	0.429	0.000	0.000	0.000	0.000
162	162	ARG	1	0.800	0.861	12.058	21.732	21.732	0.000	0.000	0.000	0.000
163	163	GLY	0	0.037	0.028	9.539	-0.487	-0.487	0.000	0.000	0.000	0.000
164	164	PHE	0	-0.018	-0.012	6.015	-1.936	-1.936	0.000	0.000	0.000	0.000
165	165	LYS	1	0.877	0.946	9.513	18.916	18.916	0.000	0.000	0.000	0.000
166	166	ASP	-1	-0.855	-0.918	9.102	-19.057	-19.057	0.000	0.000	0.000	0.000
168	168	ILE	0	0.036	0.009	7.052	0.763	0.763	0.000	0.000	0.000	0.000
169	169	TYR	0	0.015	0.002	10.131	1.449	1.449	0.000	0.000	0.000	0.000
170	170	ASP	-1	-0.928	-0.953	8.124	-19.397	-19.397	0.000	0.000	0.000	0.000
171	171	ILE	0	-0.042	-0.017	6.965	0.684	0.684	0.000	0.000	0.000	0.000
172	172	PHE	0	0.003	-0.003	10.246	1.057	1.057	0.000	0.000	0.000	0.000
173	173	GLN	0	-0.026	-0.022	12.873	1.488	1.488	0.000	0.000	0.000	0.000
174	174	LYS	1	0.863	0.937	11.572	16.098	16.098	0.000	0.000	0.000	0.000
175	175	LEU	0	-0.014	0.004	14.512	0.535	0.535	0.000	0.000	0.000	0.000
176	176	ASN	0	-0.002	0.006	17.175	0.255	0.255	0.000	0.000	0.000	0.000
177	177	SER	0	0.074	0.031	20.706	-0.121	-0.121	0.000	0.000	0.000	0.000
178	178	ASN	0	-0.078	-0.042	21.565	0.176	0.176	0.000	0.000	0.000	0.000
179	179	THR	0	-0.086	-0.037	19.540	0.270	0.270	0.000	0.000	0.000	0.000
180	180	GLN	0	0.008	0.009	22.520	-0.198	-0.198	0.000	0.000	0.000	0.000
181	181	VAL	0	-0.028	-0.017	19.247	-0.607	-0.607	0.000	0.000	0.000	0.000
182	182	VAL	0	-0.004	-0.006	20.716	0.464	0.464	0.000	0.000	0.000	0.000
183	183	LEU	0	-0.013	-0.003	18.249	-0.647	-0.647	0.000	0.000	0.000	0.000
184	184	LEU	0	-0.011	-0.010	20.019	0.671	0.671	0.000	0.000	0.000	0.000
185	185	SER	0	-0.024	-0.043	19.943	-0.692	-0.692	0.000	0.000	0.000	0.000
186	186	ALA	0	0.044	0.039	21.856	0.520	0.520	0.000	0.000	0.000	0.000
187	187	THR	0	0.016	0.025	21.071	0.529	0.529	0.000	0.000	0.000	0.000
188	188	MET	0	-0.049	-0.031	22.255	-0.291	-0.291	0.000	0.000	0.000	0.000
189	189	PRO	0	0.055	0.043	21.771	0.550	0.550	0.000	0.000	0.000	0.000
190	190	SER	0	0.016	-0.013	24.020	-0.141	-0.141	0.000	0.000	0.000	0.000
191	191	ASP	-1	-0.897	-0.936	22.323	-12.520	-12.520	0.000	0.000	0.000	0.000
192	192	VAL	0	-0.001	0.003	18.729	-0.298	-0.298	0.000	0.000	0.000	0.000
193	193	LEU	0	-0.039	-0.033	21.056	0.056	0.056	0.000	0.000	0.000	0.000
194	194	GLU	-1	-0.848	-0.891	22.987	-10.826	-10.826	0.000	0.000	0.000	0.000
195	195	VAL	0	-0.028	-0.020	16.755	0.066	0.066	0.000	0.000	0.000	0.000
196	196	THR	0	0.032	0.003	19.558	-0.072	-0.072	0.000	0.000	0.000	0.000
197	197	LYS	1	0.782	0.890	21.150	10.973	10.973	0.000	0.000	0.000	0.000
198	198	LYS	1	0.894	0.957	17.418	14.253	14.253	0.000	0.000	0.000	0.000
199	199	PHE	0	-0.027	-0.003	14.133	-0.035	-0.035	0.000	0.000	0.000	0.000
200	200	MET	0	0.020	0.020	19.596	0.075	0.075	0.000	0.000	0.000	0.000
201	201	ARG	1	0.936	0.952	23.286	9.701	9.701	0.000	0.000	0.000	0.000
202	202	ASP	-1	-0.953	-0.970	26.781	-8.872	-8.872	0.000	0.000	0.000	0.000
203	203	PRO	0	-0.009	0.013	26.114	0.148	0.148	0.000	0.000	0.000	0.000
204	204	ILE	0	0.016	0.006	28.629	0.253	0.253	0.000	0.000	0.000	0.000
205	205	ARG	1	0.944	0.965	27.217	9.688	9.688	0.000	0.000	0.000	0.000
206	206	ILE	0	-0.045	-0.018	29.080	0.393	0.393	0.000	0.000	0.000	0.000
207	207	LEU	0	0.000	0.000	27.510	-0.329	-0.329	0.000	0.000	0.000	0.000
208	208	VAL	0	-0.009	-0.004	29.897	0.348	0.348	0.000	0.000	0.000	0.000
209	209	LYS	1	0.856	0.919	30.946	8.266	8.266	0.000	0.000	0.000	0.000
210	210	LYS	1	0.936	0.969	29.771	10.169	10.169	0.000	0.000	0.000	0.000
211	211	GLU	-1	-0.874	-0.944	31.750	-8.983	-8.983	0.000	0.000	0.000	0.000
212	212	GLU	-1	-0.923	-0.947	33.626	-8.511	-8.511	0.000	0.000	0.000	0.000
213	213	LEU	0	-0.057	-0.023	27.204	-0.181	-0.181	0.000	0.000	0.000	0.000
214	214	THR	0	-0.012	0.001	28.689	-0.358	-0.358	0.000	0.000	0.000	0.000
215	215	LEU	0	-0.013	-0.004	25.997	0.048	0.048	0.000	0.000	0.000	0.000
216	216	GLU	-1	-0.870	-0.930	30.620	-8.763	-8.763	0.000	0.000	0.000	0.000
217	217	GLY	0	-0.087	-0.051	32.217	-0.206	-0.206	0.000	0.000	0.000	0.000
218	218	ILE	0	-0.028	-0.010	27.929	0.103	0.103	0.000	0.000	0.000	0.000
219	219	ARG	1	0.796	0.895	31.611	9.184	9.184	0.000	0.000	0.000	0.000
220	220	GLN	0	0.024	0.008	29.282	-0.656	-0.656	0.000	0.000	0.000	0.000
221	221	PHE	0	0.062	0.020	30.091	0.314	0.314	0.000	0.000	0.000	0.000
222	222	TYR	0	-0.012	-0.009	29.343	-0.446	-0.446	0.000	0.000	0.000	0.000
223	223	ILE	0	0.049	0.020	28.788	0.322	0.322	0.000	0.000	0.000	0.000
224	224	ASN	0	0.031	0.009	29.364	-0.540	-0.540	0.000	0.000	0.000	0.000
225	225	VAL	0	-0.017	-0.007	26.777	0.066	0.066	0.000	0.000	0.000	0.000
226	226	GLU	-1	-0.948	-0.958	30.254	-9.032	-9.032	0.000	0.000	0.000	0.000
227	227	ARG	1	0.929	0.954	28.312	9.388	9.388	0.000	0.000	0.000	0.000
228	228	GLU	-1	-0.745	-0.857	21.290	-13.625	-13.625	0.000	0.000	0.000	0.000
229	229	GLU	-1	-0.950	-0.980	24.416	-11.250	-11.250	0.000	0.000	0.000	0.000
230	230	TRP	0	-0.018	-0.031	25.586	0.133	0.133	0.000	0.000	0.000	0.000
231	231	LYS	1	0.830	0.921	20.849	13.607	13.607	0.000	0.000	0.000	0.000
232	232	LEU	0	-0.010	-0.013	23.592	0.078	0.078	0.000	0.000	0.000	0.000
233	233	ASP	-1	-0.795	-0.879	25.489	-9.910	-9.910	0.000	0.000	0.000	0.000
234	234	THR	0	0.061	0.032	28.438	0.267	0.267	0.000	0.000	0.000	0.000
235	235	LEU	0	-0.044	-0.029	22.601	-0.013	-0.013	0.000	0.000	0.000	0.000
236	236	CYS	0	-0.071	-0.034	26.815	-0.015	-0.015	0.000	0.000	0.000	0.000
237	237	ASP	-1	-0.886	-0.917	29.218	-8.865	-8.865	0.000	0.000	0.000	0.000
238	238	LEU	0	-0.001	-0.017	26.994	0.087	0.087	0.000	0.000	0.000	0.000
239	239	TYR	0	-0.049	-0.030	23.869	-0.172	-0.172	0.000	0.000	0.000	0.000
240	240	GLU	-1	-0.874	-0.914	29.189	-8.524	-8.524	0.000	0.000	0.000	0.000
241	241	THR	0	-0.052	-0.037	29.130	0.014	0.014	0.000	0.000	0.000	0.000
242	242	LEU	0	0.002	0.015	25.672	0.000	0.000	0.000	0.000	0.000	0.000
243	243	THR	0	-0.037	-0.038	29.523	0.067	0.067	0.000	0.000	0.000	0.000
244	244	ILE	0	-0.053	-0.021	32.391	0.213	0.213	0.000	0.000	0.000	0.000
245	245	THR	0	-0.085	-0.056	28.634	-0.116	-0.116	0.000	0.000	0.000	0.000
246	246	GLN	0	-0.014	0.007	21.973	0.430	0.430	0.000	0.000	0.000	0.000
247	247	ALA	0	0.036	0.016	23.668	0.058	0.058	0.000	0.000	0.000	0.000
248	248	VAL	0	-0.008	-0.006	17.470	-0.381	-0.381	0.000	0.000	0.000	0.000
249	249	ILE	0	0.000	0.000	18.253	0.455	0.455	0.000	0.000	0.000	0.000
250	250	PHE	0	0.030	0.012	14.780	-0.872	-0.872	0.000	0.000	0.000	0.000
251	251	ILE	0	-0.022	-0.019	13.567	0.887	0.887	0.000	0.000	0.000	0.000
252	252	ASN	0	0.027	0.002	13.369	-1.411	-1.411	0.000	0.000	0.000	0.000
253	253	THR	0	-0.047	-0.017	10.828	-0.883	-0.883	0.000	0.000	0.000	0.000
255	255	ARG	1	0.976	0.989	9.222	22.988	22.988	0.000	0.000	0.000	0.000
256	256	LYS	1	0.793	0.866	11.951	16.740	16.740	0.000	0.000	0.000	0.000
257	257	VAL	0	0.030	0.022	11.284	1.074	1.074	0.000	0.000	0.000	0.000
258	258	ASP	-1	-0.826	-0.896	10.714	-23.217	-23.217	0.000	0.000	0.000	0.000
259	259	TRP	0	-0.021	-0.001	13.742	1.234	1.234	0.000	0.000	0.000	0.000
260	260	LEU	0	-0.015	-0.018	16.937	0.886	0.886	0.000	0.000	0.000	0.000
261	261	THR	0	-0.011	-0.035	15.426	0.816	0.816	0.000	0.000	0.000	0.000
262	262	GLU	-1	-0.960	-0.962	17.850	-14.522	-14.522	0.000	0.000	0.000	0.000
263	263	LYS	1	0.901	0.951	19.517	13.203	13.203	0.000	0.000	0.000	0.000
264	264	MET	0	-0.014	-0.013	21.651	0.594	0.594	0.000	0.000	0.000	0.000
265	265	HIS	0	0.006	0.015	21.666	0.574	0.574	0.000	0.000	0.000	0.000
266	266	ALA	0	0.003	-0.001	23.566	0.435	0.435	0.000	0.000	0.000	0.000
267	267	ARG	1	0.727	0.838	25.584	11.055	11.055	0.000	0.000	0.000	0.000
268	268	ASP	-1	-0.924	-0.940	27.183	-9.708	-9.708	0.000	0.000	0.000	0.000
269	269	PHE	0	-0.024	-0.016	25.569	0.279	0.279	0.000	0.000	0.000	0.000
270	270	THR	0	-0.003	-0.003	24.662	-0.202	-0.202	0.000	0.000	0.000	0.000
271	271	VAL	0	-0.014	-0.006	19.397	0.011	0.011	0.000	0.000	0.000	0.000
272	272	SER	0	0.002	0.009	17.344	-0.356	-0.356	0.000	0.000	0.000	0.000
273	273	ALA	0	0.039	0.012	13.836	0.199	0.199	0.000	0.000	0.000	0.000
274	274	MET	0	-0.014	0.002	9.463	0.014	0.014	0.000	0.000	0.000	0.000
275	275	HIS	0	0.012	-0.017	6.683	-2.790	-2.790	0.000	0.000	0.000	0.000
279	279	ASP	-1	-0.857	-0.925	5.675	-33.384	-33.384	0.000	0.000	0.000	0.000
280	280	GLN	0	-0.041	-0.041	7.225	-0.828	-0.828	0.000	0.000	0.000	0.000
281	281	LYS	1	0.917	0.932	8.982	22.250	22.250	0.000	0.000	0.000	0.000
282	282	GLU	-1	-0.890	-0.935	11.093	-17.407	-17.407	0.000	0.000	0.000	0.000
283	283	ARG	1	0.822	0.856	5.479	36.285	36.285	0.000	0.000	0.000	0.000
284	284	ASP	-1	-0.857	-0.906	11.248	-16.308	-16.308	0.000	0.000	0.000	0.000
285	285	VAL	0	0.004	0.006	14.008	1.141	1.141	0.000	0.000	0.000	0.000
286	286	ILE	0	0.009	0.013	13.251	0.839	0.839	0.000	0.000	0.000	0.000
287	287	MET	0	-0.007	0.007	14.023	1.145	1.145	0.000	0.000	0.000	0.000
288	288	ARG	1	0.808	0.871	15.828	16.596	16.596	0.000	0.000	0.000	0.000
289	289	GLU	-1	-0.859	-0.907	18.825	-12.213	-12.213	0.000	0.000	0.000	0.000
290	290	PHE	0	0.014	0.020	18.365	0.542	0.542	0.000	0.000	0.000	0.000
291	291	ARG	1	0.834	0.892	17.556	15.684	15.684	0.000	0.000	0.000	0.000
292	292	SER	0	-0.011	0.000	21.775	0.408	0.408	0.000	0.000	0.000	0.000
293	293	GLY	0	0.019	0.012	23.206	0.478	0.478	0.000	0.000	0.000	0.000
294	294	SER	0	-0.127	-0.058	23.322	0.510	0.510	0.000	0.000	0.000	0.000
295	295	SER	0	0.013	0.006	19.526	0.286	0.286	0.000	0.000	0.000	0.000
296	296	ARG	1	0.873	0.930	22.472	10.209	10.209	0.000	0.000	0.000	0.000
297	297	VAL	0	0.010	-0.012	21.094	0.124	0.124	0.000	0.000	0.000	0.000
298	298	LEU	0	-0.034	0.005	14.526	-0.188	-0.188	0.000	0.000	0.000	0.000
299	299	ILE	0	0.003	0.001	14.676	0.134	0.134	0.000	0.000	0.000	0.000
300	300	THR	0	-0.020	-0.037	12.452	-1.396	-1.396	0.000	0.000	0.000	0.000
301	301	THR	0	0.034	0.000	8.093	1.604	1.604	0.000	0.000	0.000	0.000
302	302	ASP	-1	-0.803	-0.887	11.246	-19.425	-19.425	0.000	0.000	0.000	0.000
303	303	LEU	0	-0.033	0.009	6.832	0.349	0.349	0.000	0.000	0.000	0.000
304	304	LEU	0	-0.007	-0.020	9.961	0.748	0.748	0.000	0.000	0.000	0.000
305	305	ALA	0	0.017	0.008	13.234	1.554	1.554	0.000	0.000	0.000	0.000
306	306	ARG	1	0.794	0.860	13.765	18.446	18.446	0.000	0.000	0.000	0.000
307	307	GLY	0	0.036	0.010	15.494	-0.494	-0.494	0.000	0.000	0.000	0.000
308	308	ILE	0	-0.029	-0.001	14.277	0.616	0.616	0.000	0.000	0.000	0.000
309	309	ASP	-1	-0.849	-0.907	18.239	-12.725	-12.725	0.000	0.000	0.000	0.000
310	310	VAL	0	-0.017	-0.025	20.358	-0.158	-0.158	0.000	0.000	0.000	0.000
311	311	GLN	0	-0.005	0.002	23.186	0.106	0.106	0.000	0.000	0.000	0.000
312	312	GLN	0	-0.036	-0.031	24.322	0.443	0.443	0.000	0.000	0.000	0.000
313	313	VAL	0	-0.025	0.006	22.229	0.255	0.255	0.000	0.000	0.000	0.000
314	314	SER	0	-0.025	-0.013	25.644	0.117	0.117	0.000	0.000	0.000	0.000
315	315	LEU	0	0.027	0.019	25.915	0.091	0.091	0.000	0.000	0.000	0.000
316	316	VAL	0	-0.017	-0.006	21.326	-0.486	-0.486	0.000	0.000	0.000	0.000
317	317	ILE	0	0.029	0.009	22.115	0.456	0.456	0.000	0.000	0.000	0.000
318	318	ASN	0	0.002	0.001	20.380	-1.521	-1.521	0.000	0.000	0.000	0.000
319	319	TYR	0	0.081	0.034	19.310	0.652	0.652	0.000	0.000	0.000	0.000
320	320	ASP	-1	-0.776	-0.872	17.071	-15.668	-15.668	0.000	0.000	0.000	0.000
321	321	LEU	0	0.045	0.018	19.462	-0.220	-0.220	0.000	0.000	0.000	0.000
322	322	PRO	0	-0.035	0.019	18.270	-0.530	-0.530	0.000	0.000	0.000	0.000
323	323	THR	0	0.059	0.007	18.336	0.464	0.464	0.000	0.000	0.000	0.000
324	324	ASN	0	-0.032	-0.010	18.498	0.638	0.638	0.000	0.000	0.000	0.000
325	325	ARG	1	0.992	0.995	20.344	12.518	12.518	0.000	0.000	0.000	0.000
326	326	GLU	-1	-0.838	-0.920	20.905	-13.174	-13.174	0.000	0.000	0.000	0.000
327	327	ASN	0	-0.055	-0.049	15.613	-0.056	-0.056	0.000	0.000	0.000	0.000
328	328	TYR	0	-0.011	-0.010	19.302	-0.285	-0.285	0.000	0.000	0.000	0.000
329	329	ILE	0	0.019	0.011	21.951	0.099	0.099	0.000	0.000	0.000	0.000
330	330	HIS	0	-0.052	-0.030	18.556	0.029	0.029	0.000	0.000	0.000	0.000
331	331	ARG	1	0.828	0.896	15.302	17.268	17.268	0.000	0.000	0.000	0.000
332	332	ILE	0	0.021	0.003	19.812	0.218	0.218	0.000	0.000	0.000	0.000
333	333	GLY	0	0.020	0.021	22.943	0.447	0.447	0.000	0.000	0.000	0.000
334	334	ARG	1	0.770	0.883	17.951	15.315	15.315	0.000	0.000	0.000	0.000
335	335	GLY	0	0.026	0.034	21.877	0.076	0.076	0.000	0.000	0.000	0.000
336	336	GLY	0	-0.012	-0.014	25.418	0.153	0.153	0.000	0.000	0.000	0.000
337	337	ARG	1	0.752	0.870	23.154	12.186	12.186	0.000	0.000	0.000	0.000
338	338	PHE	0	0.008	0.000	29.263	0.322	0.322	0.000	0.000	0.000	0.000
339	339	GLY	0	0.029	0.026	31.576	-0.132	-0.132	0.000	0.000	0.000	0.000
340	340	ARG	1	0.914	0.949	33.104	8.735	8.735	0.000	0.000	0.000	0.000
341	341	LYS	1	0.978	0.982	32.642	8.029	8.029	0.000	0.000	0.000	0.000
342	342	GLY	0	0.080	0.036	29.770	-0.022	-0.022	0.000	0.000	0.000	0.000
343	343	VAL	0	-0.030	0.002	29.011	0.289	0.289	0.000	0.000	0.000	0.000
344	344	ALA	0	0.005	0.005	25.925	-0.433	-0.433	0.000	0.000	0.000	0.000
345	345	ILE	0	0.027	0.015	26.129	0.358	0.358	0.000	0.000	0.000	0.000
346	346	ASN	0	-0.011	-0.010	24.989	-1.030	-1.030	0.000	0.000	0.000	0.000
347	347	MET	0	-0.010	0.001	24.272	0.272	0.272	0.000	0.000	0.000	0.000
348	348	VAL	0	-0.018	-0.011	24.883	-0.370	-0.370	0.000	0.000	0.000	0.000
349	349	THR	0	0.032	0.020	25.544	0.424	0.424	0.000	0.000	0.000	0.000
350	350	GLU	-1	-0.901	-0.959	28.117	-8.931	-8.931	0.000	0.000	0.000	0.000
351	351	GLU	-1	-1.004	-1.007	26.679	-11.011	-11.011	0.000	0.000	0.000	0.000
352	352	ASP	-1	-0.883	-0.938	23.794	-12.604	-12.604	0.000	0.000	0.000	0.000
353	353	LYS	1	0.915	0.964	26.576	9.045	9.045	0.000	0.000	0.000	0.000
354	354	ARG	1	0.918	0.958	29.471	10.050	10.050	0.000	0.000	0.000	0.000
355	355	THR	0	0.051	0.024	23.731	0.163	0.163	0.000	0.000	0.000	0.000
356	356	LEU	0	-0.001	0.000	27.233	-0.089	-0.089	0.000	0.000	0.000	0.000
357	357	ARG	1	0.876	0.932	28.569	8.867	8.867	0.000	0.000	0.000	0.000
358	358	ASP	-1	-0.885	-0.937	27.848	-10.418	-10.418	0.000	0.000	0.000	0.000
359	359	ILE	0	-0.073	-0.036	24.068	-0.062	-0.062	0.000	0.000	0.000	0.000
360	360	GLU	-1	-0.793	-0.882	28.159	-8.982	-8.982	0.000	0.000	0.000	0.000
361	361	THR	0	-0.071	-0.053	31.655	0.165	0.165	0.000	0.000	0.000	0.000
362	362	PHE	0	-0.051	-0.014	26.610	0.145	0.145	0.000	0.000	0.000	0.000
363	363	TYR	0	0.007	-0.037	24.992	0.008	0.008	0.000	0.000	0.000	0.000
364	364	ASN	0	-0.054	-0.010	31.730	0.114	0.114	0.000	0.000	0.000	0.000
365	365	THR	0	-0.022	-0.003	31.426	0.112	0.112	0.000	0.000	0.000	0.000
366	366	SER	0	-0.063	-0.061	34.846	0.137	0.137	0.000	0.000	0.000	0.000
367	367	ILE	0	-0.088	-0.023	29.674	-0.072	-0.072	0.000	0.000	0.000	0.000
368	368	GLU	-1	-0.848	-0.904	33.028	-8.097	-8.097	0.000	0.000	0.000	0.000
369	369	GLU	-1	-0.961	-0.983	33.816	-8.455	-8.455	0.000	0.000	0.000	0.000
370	370	MET	0	-0.047	-0.023	31.555	-0.007	-0.007	0.000	0.000	0.000	0.000
371	371	PRO	0	-0.011	0.007	34.429	0.144	0.144	0.000	0.000	0.000	0.000
372	372	LEU	0	0.011	-0.001	36.107	-0.149	-0.149	0.000	0.000	0.000	0.000
373	373	ASN	0	-0.067	-0.048	37.548	-0.129	-0.129	0.000	0.000	0.000	0.000
374	374	VAL	0	0.084	0.028	34.307	-0.067	-0.067	0.000	0.000	0.000	0.000
375	375	ALA	0	-0.060	-0.040	36.426	-0.129	-0.129	0.000	0.000	0.000	0.000
376	376	ASP	-1	-0.879	-0.921	38.983	-7.345	-7.345	0.000	0.000	0.000	0.000
377	377	LEU	0	-0.073	-0.014	31.933	-0.084	-0.084	0.000	0.000	0.000	0.000
378	378	ILE	-1	-0.884	-0.937	31.167	-8.987	-8.987	0.000	0.000	0.000	0.000
379	379	A	0	-0.361	-0.281	18.133	0.367	0.367	0.000	0.000	0.000	0.000
380	379	A	-1	-0.506	-0.638	14.185	-19.516	-19.516	0.000	0.000	0.000	0.000
381	380	G	0	-0.375	-0.314	17.487	-0.438	-0.438	0.000	0.000	0.000	0.000
382	380	G	-1	-0.545	-0.633	12.874	-20.963	-20.963	0.000	0.000	0.000	0.000
383	381	A	0	-0.390	-0.321	14.549	-0.175	-0.175	0.000	0.000	0.000	0.000
384	381	A	-1	-0.614	-0.681	11.140	-22.701	-22.701	0.000	0.000	0.000	0.000
385	382	G	0	-0.328	-0.290	11.167	-0.741	-0.741	0.000	0.000	0.000	0.000
386	382	G	-1	-0.550	-0.661	8.396	-28.966	-28.966	0.000	0.000	0.000	0.000
387	383	A	0	-0.364	-0.313	7.376	-1.037	-1.037	0.000	0.000	0.000	0.000
395	387	A	0	-0.344	-0.288	5.228	0.350	0.350	0.000	0.000	0.000	0.000
396	387	A	-1	-0.630	-0.682	8.190	-19.276	-19.276	0.000	0.000	0.000	0.000
397	388	G	0	-0.391	-0.317	7.152	0.441	0.441	0.000	0.000	0.000	0.000
398	388	G	0	0.290	0.214	5.680	-1.235	-1.235	0.000	0.000	0.000	0.000

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