FMO DATABASE

FMODB ID: YZ4G2

Calculation Name: 6XKI-A-MD433-94ns

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. 22 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-7630513.737989
FMO2-HF: Nuclear repulsion	7461309.544487
FMO2-HF: Total energy	-169204.193502
FMO2-MP2: Total energy	-169681.95816

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.
-289.129033	-237.472749	47.969982	-21.703693	-77.922572	0.077639

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.
-52.468	-18.186	36.852	-15.592	-55.54	-0.062

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 : -0.083 / q_NPA : -0.016

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	0.022	0.001	3.467	-1.086	-0.012	0.536	-0.356	-1.253	0.000
132	132	GLY	0	0.043	0.027	2.607	-2.707	-0.953	7.093	-3.908	-4.939	-0.007
133	133	ARG	1	0.820	0.868	2.554	-0.749	-1.708	0.953	2.533	-2.528	-0.021
134	134	VAL	0	0.007	0.009	5.106	-0.547	-0.380	-0.001	-0.011	-0.155	0.000
135	135	PHE	0	0.064	0.019	2.415	-12.950	-5.128	8.754	-3.928	-12.647	0.008
136	136	ASP	-1	-0.765	-0.827	2.521	-7.018	-3.884	1.126	-1.641	-2.619	-0.003
137	137	MET	0	0.009	-0.003	3.150	0.742	0.530	0.053	0.558	-0.399	0.000
139	139	ASN	0	-0.090	-0.058	2.994	-0.178	1.025	0.317	-0.347	-1.174	-0.002
140	140	ARG	1	0.768	0.869	5.060	1.344	1.474	-0.001	-0.002	-0.127	0.000
167	167	GLN	0	0.003	-0.004	2.669	-6.918	-3.440	7.596	-3.166	-7.909	-0.005
168	168	ILE	0	0.009	-0.010	3.129	-3.027	-2.398	0.146	0.416	-1.191	-0.003
170	170	ASP	-1	-0.859	-0.926	2.790	-4.679	-1.981	0.420	-1.256	-1.861	-0.010
171	171	ILE	0	-0.077	-0.046	2.361	-0.985	0.429	1.097	-0.458	-2.053	-0.002
172	172	PHE	0	-0.019	-0.014	4.739	0.349	0.380	-0.001	-0.012	-0.017	0.000
391	385	A	-1	-0.486	-0.587	2.435	-2.534	-0.574	0.358	-0.851	-1.467	-0.006
392	385	A	0	-0.314	-0.287	3.140	-2.280	-1.246	0.079	-0.354	-0.758	-0.002
393	386	G	-1	-0.542	-0.655	2.450	-0.841	0.151	1.025	-0.633	-1.384	0.004
394	386	G	0	-0.369	-0.308	3.038	-7.457	0.476	7.302	-2.176	-13.059	-0.013
1	1	GLU	0	-0.095	-0.063	32.876	0.003	0.003	0.000	0.000	0.000	0.000
2	2	ILE	0	0.052	0.019	34.018	-0.001	-0.001	0.000	0.000	0.000	0.000
3	3	VAL	0	-0.018	0.000	33.779	0.001	0.001	0.000	0.000	0.000	0.000
4	4	ASP	-1	-0.885	-0.941	35.121	-0.019	-0.019	0.000	0.000	0.000	0.000
5	5	SER	0	0.016	-0.006	37.169	-0.002	-0.002	0.000	0.000	0.000	0.000
6	6	PHE	0	0.037	0.003	32.525	0.001	0.001	0.000	0.000	0.000	0.000
7	7	ASP	-1	-0.891	-0.936	35.633	-0.025	-0.025	0.000	0.000	0.000	0.000
8	8	ASP	-1	-0.900	-0.947	38.341	-0.015	-0.015	0.000	0.000	0.000	0.000
9	9	MET	0	-0.154	-0.082	31.804	0.001	0.001	0.000	0.000	0.000	0.000
10	10	ASN	0	-0.089	-0.033	33.433	0.000	0.000	0.000	0.000	0.000	0.000
11	11	LEU	0	-0.015	0.001	30.556	-0.001	-0.001	0.000	0.000	0.000	0.000
12	12	SER	0	0.012	-0.007	31.530	0.000	0.000	0.000	0.000	0.000	0.000
13	13	GLU	-1	-0.850	-0.934	34.224	-0.036	-0.036	0.000	0.000	0.000	0.000
14	14	SER	0	-0.046	-0.030	33.244	-0.002	-0.002	0.000	0.000	0.000	0.000
15	15	LEU	0	0.042	0.032	28.200	-0.003	-0.003	0.000	0.000	0.000	0.000
16	16	LEU	0	0.006	-0.002	31.521	-0.003	-0.003	0.000	0.000	0.000	0.000
17	17	ARG	1	0.883	0.938	34.391	0.039	0.039	0.000	0.000	0.000	0.000
18	18	GLY	0	0.044	0.033	30.800	-0.002	-0.002	0.000	0.000	0.000	0.000
19	19	ILE	0	-0.040	-0.024	30.293	-0.003	-0.003	0.000	0.000	0.000	0.000
20	20	TYR	0	-0.014	-0.025	32.038	-0.001	-0.001	0.000	0.000	0.000	0.000
21	21	ALA	0	-0.029	0.003	33.460	0.001	0.001	0.000	0.000	0.000	0.000
22	22	TYR	0	-0.067	-0.024	27.076	-0.002	-0.002	0.000	0.000	0.000	0.000
23	23	GLY	0	0.014	0.020	31.941	-0.001	-0.001	0.000	0.000	0.000	0.000
24	24	PHE	0	-0.070	-0.058	28.932	-0.003	-0.003	0.000	0.000	0.000	0.000
25	25	GLU	-1	-0.878	-0.928	33.497	-0.037	-0.037	0.000	0.000	0.000	0.000
26	26	LYS	1	0.898	0.947	34.187	0.024	0.024	0.000	0.000	0.000	0.000
27	27	PRO	0	0.012	0.014	32.674	0.000	0.000	0.000	0.000	0.000	0.000
28	28	SER	0	0.077	0.049	29.536	0.003	0.003	0.000	0.000	0.000	0.000
29	29	ALA	0	0.050	0.009	32.672	0.002	0.002	0.000	0.000	0.000	0.000
30	30	ILE	0	-0.037	-0.014	26.573	0.003	0.003	0.000	0.000	0.000	0.000
31	31	GLN	0	0.027	0.005	27.782	0.004	0.004	0.000	0.000	0.000	0.000
32	32	GLN	0	-0.037	-0.035	29.650	0.003	0.003	0.000	0.000	0.000	0.000
33	33	ARG	1	0.907	0.955	30.781	0.013	0.013	0.000	0.000	0.000	0.000
34	34	ALA	0	0.005	0.009	25.419	0.003	0.003	0.000	0.000	0.000	0.000
35	35	ILE	0	0.029	0.019	26.087	0.001	0.001	0.000	0.000	0.000	0.000
36	36	LEU	0	0.019	0.008	27.077	0.001	0.001	0.000	0.000	0.000	0.000
37	37	PRO	0	-0.019	-0.022	26.290	0.001	0.001	0.000	0.000	0.000	0.000
38	38	CYS	0	0.031	0.023	22.263	0.001	0.001	0.000	0.000	0.000	0.000
39	39	ILE	0	0.014	0.014	23.604	-0.001	-0.001	0.000	0.000	0.000	0.000
40	40	LYS	1	0.871	0.937	26.134	0.007	0.007	0.000	0.000	0.000	0.000
41	41	GLY	0	0.028	0.026	22.883	0.004	0.004	0.000	0.000	0.000	0.000
42	42	TYR	0	-0.023	0.000	22.341	0.005	0.005	0.000	0.000	0.000	0.000
43	43	ASP	-1	-0.693	-0.802	18.345	0.013	0.013	0.000	0.000	0.000	0.000
44	44	VAL	0	-0.047	-0.030	19.831	0.002	0.002	0.000	0.000	0.000	0.000
45	45	ILE	0	0.004	0.005	19.011	-0.003	-0.003	0.000	0.000	0.000	0.000
46	46	ALA	0	0.024	0.000	21.235	0.001	0.001	0.000	0.000	0.000	0.000
47	47	GLN	0	-0.016	-0.002	22.497	-0.001	-0.001	0.000	0.000	0.000	0.000
48	48	ALA	0	0.007	-0.005	23.403	-0.001	-0.001	0.000	0.000	0.000	0.000
49	49	GLN	0	0.023	-0.003	24.231	-0.006	-0.006	0.000	0.000	0.000	0.000
50	50	SER	0	0.049	0.030	26.449	-0.005	-0.005	0.000	0.000	0.000	0.000
51	51	GLY	0	0.003	0.007	27.318	0.004	0.004	0.000	0.000	0.000	0.000
52	52	THR	0	-0.057	-0.040	27.618	0.001	0.001	0.000	0.000	0.000	0.000
53	53	GLY	0	0.083	0.056	26.330	0.001	0.001	0.000	0.000	0.000	0.000
54	54	LYS	1	0.795	0.895	18.947	0.085	0.085	0.000	0.000	0.000	0.000
55	55	THR	0	0.040	0.006	20.149	0.003	0.003	0.000	0.000	0.000	0.000
56	56	ALA	0	0.062	0.036	22.079	0.001	0.001	0.000	0.000	0.000	0.000
57	57	THR	0	-0.028	-0.023	24.029	0.004	0.004	0.000	0.000	0.000	0.000
58	58	PHE	0	0.023	0.012	17.627	0.005	0.005	0.000	0.000	0.000	0.000
59	59	ALA	0	0.014	0.016	21.966	0.000	0.000	0.000	0.000	0.000	0.000
60	60	ILE	0	0.027	0.010	22.790	0.001	0.001	0.000	0.000	0.000	0.000
61	61	SER	0	-0.033	-0.036	23.337	0.004	0.004	0.000	0.000	0.000	0.000
62	62	ILE	0	-0.014	-0.001	18.965	0.004	0.004	0.000	0.000	0.000	0.000
63	63	LEU	0	0.007	-0.007	22.365	0.001	0.001	0.000	0.000	0.000	0.000
64	64	GLN	0	0.040	0.036	24.947	-0.001	-0.001	0.000	0.000	0.000	0.000
65	65	GLN	0	-0.088	-0.057	22.660	0.008	0.008	0.000	0.000	0.000	0.000
66	66	ILE	0	-0.071	-0.016	21.447	0.001	0.001	0.000	0.000	0.000	0.000
67	67	GLU	-1	-0.909	-0.951	25.018	-0.029	-0.029	0.000	0.000	0.000	0.000
68	68	LEU	0	0.032	-0.003	26.713	-0.004	-0.004	0.000	0.000	0.000	0.000
69	69	ASP	-1	-0.941	-0.956	28.198	-0.049	-0.049	0.000	0.000	0.000	0.000
70	70	LEU	0	-0.021	-0.001	23.080	-0.003	-0.003	0.000	0.000	0.000	0.000
71	71	LYS	1	0.893	0.939	24.181	0.062	0.062	0.000	0.000	0.000	0.000
72	72	ALA	0	0.007	-0.006	19.702	-0.007	-0.007	0.000	0.000	0.000	0.000
73	73	THR	0	-0.041	-0.017	15.040	-0.001	-0.001	0.000	0.000	0.000	0.000
74	74	GLN	0	-0.012	-0.013	17.778	0.010	0.010	0.000	0.000	0.000	0.000
75	75	ALA	0	-0.017	-0.007	16.435	0.012	0.012	0.000	0.000	0.000	0.000
76	76	LEU	0	0.002	0.005	8.745	-0.018	-0.018	0.000	0.000	0.000	0.000
77	77	VAL	0	-0.025	-0.018	12.909	0.016	0.016	0.000	0.000	0.000	0.000
78	78	LEU	0	-0.010	-0.003	6.690	-0.012	-0.012	0.000	0.000	0.000	0.000
79	79	ALA	0	0.041	0.002	9.837	0.013	0.013	0.000	0.000	0.000	0.000
80	80	PRO	0	0.027	0.009	8.826	-0.035	-0.035	0.000	0.000	0.000	0.000
81	81	THR	0	0.004	-0.002	9.077	-0.126	-0.126	0.000	0.000	0.000	0.000
82	82	ARG	1	0.860	0.899	8.038	0.825	0.825	0.000	0.000	0.000	0.000
83	83	GLU	-1	-0.743	-0.852	11.822	-0.286	-0.286	0.000	0.000	0.000	0.000
84	84	LEU	0	0.006	0.008	14.118	0.031	0.031	0.000	0.000	0.000	0.000
85	85	ALA	0	-0.004	-0.005	11.893	0.028	0.028	0.000	0.000	0.000	0.000
86	86	GLN	0	0.035	0.008	14.075	0.033	0.033	0.000	0.000	0.000	0.000
87	87	GLN	0	-0.025	-0.004	16.966	0.022	0.022	0.000	0.000	0.000	0.000
88	88	ILE	0	-0.011	-0.002	15.278	0.015	0.015	0.000	0.000	0.000	0.000
89	89	GLN	0	0.042	0.023	17.242	0.012	0.012	0.000	0.000	0.000	0.000
90	90	LYS	1	0.872	0.928	19.002	0.154	0.154	0.000	0.000	0.000	0.000
91	91	VAL	0	-0.001	0.012	22.252	0.008	0.008	0.000	0.000	0.000	0.000
92	92	VAL	0	0.010	-0.003	19.227	0.008	0.008	0.000	0.000	0.000	0.000
93	93	MET	0	-0.027	-0.008	22.324	0.004	0.004	0.000	0.000	0.000	0.000
94	94	ALA	0	0.012	0.016	23.849	0.005	0.005	0.000	0.000	0.000	0.000
95	95	LEU	0	-0.042	-0.032	25.756	0.006	0.006	0.000	0.000	0.000	0.000
96	96	GLY	0	0.028	0.004	25.909	0.006	0.006	0.000	0.000	0.000	0.000
97	97	ASP	-1	-0.934	-0.959	26.897	-0.075	-0.075	0.000	0.000	0.000	0.000
98	98	TYR	0	-0.023	-0.011	29.204	0.004	0.004	0.000	0.000	0.000	0.000
99	99	MET	0	-0.097	-0.037	27.962	0.002	0.002	0.000	0.000	0.000	0.000
100	100	GLY	0	0.022	0.022	29.544	0.002	0.002	0.000	0.000	0.000	0.000
101	101	ALA	0	-0.055	-0.025	24.376	-0.003	-0.003	0.000	0.000	0.000	0.000
102	102	SER	0	-0.036	-0.037	22.554	-0.006	-0.006	0.000	0.000	0.000	0.000
103	103	CYS	0	-0.069	-0.053	18.354	-0.004	-0.004	0.000	0.000	0.000	0.000
104	104	HIS	0	-0.037	-0.026	13.814	0.019	0.019	0.000	0.000	0.000	0.000
105	105	ALA	0	0.015	0.013	13.988	0.001	0.001	0.000	0.000	0.000	0.000
106	106	CYS	0	-0.040	-0.014	9.192	-0.019	-0.019	0.000	0.000	0.000	0.000
107	107	ILE	0	0.003	0.000	9.501	0.023	0.023	0.000	0.000	0.000	0.000
108	108	GLY	0	0.025	0.017	7.997	0.028	0.028	0.000	0.000	0.000	0.000
109	109	GLY	0	0.009	0.004	8.587	-0.014	-0.014	0.000	0.000	0.000	0.000
110	110	THR	0	-0.024	-0.006	11.176	0.043	0.043	0.000	0.000	0.000	0.000
111	111	ASN	0	0.020	-0.004	12.132	-0.010	-0.010	0.000	0.000	0.000	0.000
112	112	VAL	0	0.104	0.057	9.684	0.006	0.006	0.000	0.000	0.000	0.000
113	113	ARG	1	0.933	0.970	12.531	0.234	0.234	0.000	0.000	0.000	0.000
114	114	ALA	0	0.021	-0.002	15.329	0.008	0.008	0.000	0.000	0.000	0.000
115	115	GLU	-1	-0.744	-0.842	10.748	-0.299	-0.299	0.000	0.000	0.000	0.000
116	116	VAL	0	-0.018	-0.015	11.378	0.012	0.012	0.000	0.000	0.000	0.000
117	117	GLN	0	-0.028	-0.014	13.940	0.017	0.017	0.000	0.000	0.000	0.000
118	118	LYS	1	0.954	0.985	17.018	0.181	0.181	0.000	0.000	0.000	0.000
119	119	LEU	0	0.029	0.002	11.636	0.013	0.013	0.000	0.000	0.000	0.000
120	120	GLN	0	-0.070	-0.039	15.675	0.021	0.021	0.000	0.000	0.000	0.000
121	121	MET	0	-0.069	-0.031	17.904	0.018	0.018	0.000	0.000	0.000	0.000
122	122	GLU	-1	-0.876	-0.914	20.293	-0.105	-0.105	0.000	0.000	0.000	0.000
123	123	ALA	0	-0.033	-0.001	18.526	0.009	0.009	0.000	0.000	0.000	0.000
124	124	PRO	0	0.011	0.001	17.459	0.010	0.010	0.000	0.000	0.000	0.000
125	125	HIS	0	0.079	0.051	19.105	-0.013	-0.013	0.000	0.000	0.000	0.000
126	126	ILE	0	-0.017	-0.006	17.038	0.006	0.006	0.000	0.000	0.000	0.000
127	127	ILE	0	0.001	0.007	12.246	-0.009	-0.009	0.000	0.000	0.000	0.000
128	128	VAL	0	0.034	0.010	13.186	0.011	0.011	0.000	0.000	0.000	0.000
129	129	GLY	0	0.022	-0.004	9.942	-0.021	-0.021	0.000	0.000	0.000	0.000
130	130	THR	0	-0.025	-0.019	6.567	0.029	0.029	0.000	0.000	0.000	0.000
138	138	LEU	0	-0.018	0.014	6.063	0.149	0.149	0.000	0.000	0.000	0.000
141	141	ARG	1	0.877	0.947	7.048	0.286	0.286	0.000	0.000	0.000	0.000
142	142	TYR	0	-0.019	-0.018	9.230	0.080	0.080	0.000	0.000	0.000	0.000
143	143	LEU	0	0.027	0.031	9.031	0.068	0.068	0.000	0.000	0.000	0.000
144	144	SER	0	-0.006	-0.017	10.614	0.006	0.006	0.000	0.000	0.000	0.000
145	145	PRO	0	0.046	0.009	11.591	0.008	0.008	0.000	0.000	0.000	0.000
146	146	LYS	1	0.827	0.926	14.100	0.053	0.053	0.000	0.000	0.000	0.000
147	147	TYR	0	0.046	-0.002	17.538	0.013	0.013	0.000	0.000	0.000	0.000
148	148	ILE	0	-0.007	0.028	12.728	-0.001	-0.001	0.000	0.000	0.000	0.000
149	149	LYS	1	0.988	1.003	16.531	0.038	0.038	0.000	0.000	0.000	0.000
150	150	MET	0	-0.036	-0.010	16.852	0.010	0.010	0.000	0.000	0.000	0.000
151	151	PHE	0	0.027	0.005	8.115	-0.021	-0.021	0.000	0.000	0.000	0.000
152	152	VAL	0	0.001	0.000	13.178	0.017	0.017	0.000	0.000	0.000	0.000
153	153	LEU	0	0.007	0.004	9.800	-0.007	-0.007	0.000	0.000	0.000	0.000
154	154	ASP	-1	-0.762	-0.876	13.270	-0.084	-0.084	0.000	0.000	0.000	0.000
155	155	GLU	-1	-0.851	-0.930	13.652	-0.104	-0.104	0.000	0.000	0.000	0.000
156	156	ALA	0	0.012	-0.002	13.833	0.006	0.006	0.000	0.000	0.000	0.000
157	157	ASP	-1	-0.794	-0.857	14.129	-0.026	-0.026	0.000	0.000	0.000	0.000
158	158	GLU	-1	-0.860	-0.923	11.791	-0.121	-0.121	0.000	0.000	0.000	0.000
159	159	MET	0	-0.061	-0.009	7.837	0.012	0.012	0.000	0.000	0.000	0.000
160	160	LEU	0	-0.037	-0.025	9.824	0.097	0.097	0.000	0.000	0.000	0.000
161	161	SER	0	0.027	0.012	11.053	-0.006	-0.006	0.000	0.000	0.000	0.000
162	162	ARG	1	0.780	0.852	10.630	0.048	0.048	0.000	0.000	0.000	0.000
163	163	GLY	0	0.060	0.059	8.035	0.071	0.071	0.000	0.000	0.000	0.000
164	164	PHE	0	-0.035	-0.015	5.268	0.033	0.033	0.000	0.000	0.000	0.000
165	165	LYS	1	0.910	0.967	7.000	0.166	0.166	0.000	0.000	0.000	0.000
166	166	ASP	-1	-0.907	-0.949	5.319	0.210	0.210	0.000	0.000	0.000	0.000
169	169	TYR	0	-0.037	-0.011	5.858	-0.256	-0.256	0.000	0.000	0.000	0.000
173	173	GLN	0	0.014	0.007	8.052	0.083	0.083	0.000	0.000	0.000	0.000
174	174	LYS	1	0.900	0.977	6.571	-0.415	-0.415	0.000	0.000	0.000	0.000
175	175	LEU	0	-0.034	-0.014	8.969	-0.023	-0.023	0.000	0.000	0.000	0.000
176	176	ASN	0	0.017	0.018	11.204	0.067	0.067	0.000	0.000	0.000	0.000
177	177	SER	0	0.071	0.033	14.965	-0.021	-0.021	0.000	0.000	0.000	0.000
178	178	ASN	0	-0.122	-0.063	16.224	-0.006	-0.006	0.000	0.000	0.000	0.000
179	179	THR	0	-0.010	-0.001	13.481	-0.018	-0.018	0.000	0.000	0.000	0.000
180	180	GLN	0	-0.024	-0.018	16.185	0.006	0.006	0.000	0.000	0.000	0.000
181	181	VAL	0	-0.012	-0.015	13.480	-0.014	-0.014	0.000	0.000	0.000	0.000
182	182	VAL	0	-0.017	-0.010	15.652	0.008	0.008	0.000	0.000	0.000	0.000
183	183	LEU	0	0.012	0.004	14.326	-0.005	-0.005	0.000	0.000	0.000	0.000
184	184	LEU	0	-0.009	-0.006	17.181	0.002	0.002	0.000	0.000	0.000	0.000
185	185	SER	0	-0.035	-0.047	17.713	-0.009	-0.009	0.000	0.000	0.000	0.000
186	186	ALA	0	0.052	0.040	20.004	0.006	0.006	0.000	0.000	0.000	0.000
187	187	THR	0	0.012	0.014	19.983	0.003	0.003	0.000	0.000	0.000	0.000
188	188	MET	0	-0.012	-0.018	19.221	0.003	0.003	0.000	0.000	0.000	0.000
189	189	PRO	0	0.039	0.023	19.557	0.004	0.004	0.000	0.000	0.000	0.000
190	190	SER	0	-0.004	-0.014	21.708	0.003	0.003	0.000	0.000	0.000	0.000
191	191	ASP	-1	-0.831	-0.904	19.119	0.044	0.044	0.000	0.000	0.000	0.000
192	192	VAL	0	0.005	0.008	16.369	0.010	0.010	0.000	0.000	0.000	0.000
193	193	LEU	0	-0.037	-0.023	17.868	0.006	0.006	0.000	0.000	0.000	0.000
194	194	GLU	-1	-0.835	-0.908	19.768	0.056	0.056	0.000	0.000	0.000	0.000
195	195	VAL	0	-0.009	-0.013	13.309	0.008	0.008	0.000	0.000	0.000	0.000
196	196	THR	0	0.002	-0.015	15.072	0.006	0.006	0.000	0.000	0.000	0.000
197	197	LYS	1	0.782	0.888	16.122	-0.056	-0.056	0.000	0.000	0.000	0.000
198	198	LYS	1	0.930	0.973	12.687	-0.131	-0.131	0.000	0.000	0.000	0.000
199	199	PHE	0	-0.018	-0.016	12.417	0.009	0.009	0.000	0.000	0.000	0.000
200	200	MET	0	-0.052	-0.004	14.791	-0.003	-0.003	0.000	0.000	0.000	0.000
201	201	ARG	1	0.759	0.839	16.953	-0.028	-0.028	0.000	0.000	0.000	0.000
202	202	ASP	-1	-0.935	-0.958	20.558	0.043	0.043	0.000	0.000	0.000	0.000
203	203	PRO	0	-0.048	-0.013	20.209	-0.005	-0.005	0.000	0.000	0.000	0.000
204	204	ILE	0	0.032	0.010	22.594	0.001	0.001	0.000	0.000	0.000	0.000
205	205	ARG	1	0.896	0.951	22.111	-0.031	-0.031	0.000	0.000	0.000	0.000
206	206	ILE	0	-0.014	-0.006	25.141	-0.001	-0.001	0.000	0.000	0.000	0.000
207	207	LEU	0	-0.002	-0.003	24.172	-0.002	-0.002	0.000	0.000	0.000	0.000
208	208	VAL	0	-0.006	-0.009	27.137	-0.001	-0.001	0.000	0.000	0.000	0.000
209	209	LYS	1	0.934	0.968	29.109	0.007	0.007	0.000	0.000	0.000	0.000
210	210	LYS	1	0.975	0.973	27.231	0.003	0.003	0.000	0.000	0.000	0.000
211	211	GLU	-1	-0.869	-0.923	30.964	-0.013	-0.013	0.000	0.000	0.000	0.000
212	212	GLU	-1	-0.945	-0.971	32.788	-0.019	-0.019	0.000	0.000	0.000	0.000
213	213	LEU	0	-0.101	-0.032	25.680	-0.002	-0.002	0.000	0.000	0.000	0.000
214	214	THR	0	0.016	0.002	28.417	-0.006	-0.006	0.000	0.000	0.000	0.000
215	215	LEU	0	-0.018	-0.011	28.812	0.001	0.001	0.000	0.000	0.000	0.000
216	216	GLU	-1	-0.859	-0.933	31.728	-0.031	-0.031	0.000	0.000	0.000	0.000
217	217	GLY	0	-0.097	-0.046	33.749	0.000	0.000	0.000	0.000	0.000	0.000
218	218	ILE	0	-0.011	-0.004	29.609	-0.003	-0.003	0.000	0.000	0.000	0.000
219	219	ARG	1	0.909	0.968	33.925	0.038	0.038	0.000	0.000	0.000	0.000
220	220	GLN	0	0.076	0.034	31.235	-0.003	-0.003	0.000	0.000	0.000	0.000
221	221	PHE	0	0.019	0.008	34.917	0.003	0.003	0.000	0.000	0.000	0.000
222	222	TYR	0	-0.027	-0.010	34.613	-0.003	-0.003	0.000	0.000	0.000	0.000
223	223	ILE	0	0.058	0.020	36.309	0.001	0.001	0.000	0.000	0.000	0.000
224	224	ASN	0	-0.041	-0.018	37.099	-0.002	-0.002	0.000	0.000	0.000	0.000
225	225	VAL	0	0.063	0.021	35.582	0.001	0.001	0.000	0.000	0.000	0.000
226	226	GLU	-1	-0.893	-0.930	38.788	-0.023	-0.023	0.000	0.000	0.000	0.000
227	227	ARG	1	0.899	0.922	36.943	0.025	0.025	0.000	0.000	0.000	0.000
228	228	GLU	-1	-0.725	-0.840	30.533	-0.058	-0.058	0.000	0.000	0.000	0.000
229	229	GLU	-1	-0.992	-0.996	34.306	-0.044	-0.044	0.000	0.000	0.000	0.000
230	230	TRP	0	0.002	0.007	36.312	0.000	0.000	0.000	0.000	0.000	0.000
231	231	LYS	1	0.788	0.895	28.985	0.060	0.060	0.000	0.000	0.000	0.000
232	232	LEU	0	0.001	-0.004	33.566	-0.003	-0.003	0.000	0.000	0.000	0.000
233	233	ASP	-1	-0.805	-0.917	34.992	-0.043	-0.043	0.000	0.000	0.000	0.000
234	234	THR	0	0.009	0.005	36.932	0.002	0.002	0.000	0.000	0.000	0.000
235	235	LEU	0	-0.035	-0.017	31.636	-0.001	-0.001	0.000	0.000	0.000	0.000
236	236	CYS	0	-0.081	-0.041	35.826	-0.001	-0.001	0.000	0.000	0.000	0.000
237	237	ASP	-1	-0.887	-0.916	38.281	-0.040	-0.040	0.000	0.000	0.000	0.000
238	238	LEU	0	-0.014	-0.026	36.841	0.000	0.000	0.000	0.000	0.000	0.000
239	239	TYR	0	-0.023	-0.020	34.012	-0.002	-0.002	0.000	0.000	0.000	0.000
240	240	GLU	-1	-0.883	-0.930	37.590	-0.046	-0.046	0.000	0.000	0.000	0.000
241	241	THR	0	-0.071	-0.062	36.674	-0.001	-0.001	0.000	0.000	0.000	0.000
242	242	LEU	0	-0.045	-0.021	32.219	-0.003	-0.003	0.000	0.000	0.000	0.000
243	243	THR	0	-0.021	0.004	35.419	-0.003	-0.003	0.000	0.000	0.000	0.000
244	244	ILE	0	-0.026	-0.014	38.264	-0.001	-0.001	0.000	0.000	0.000	0.000
245	245	THR	0	-0.027	-0.011	34.548	-0.001	-0.001	0.000	0.000	0.000	0.000
246	246	GLN	0	-0.022	0.002	29.072	0.003	0.003	0.000	0.000	0.000	0.000
247	247	ALA	0	-0.009	-0.019	30.312	0.002	0.002	0.000	0.000	0.000	0.000
248	248	VAL	0	-0.016	-0.002	23.768	-0.006	-0.006	0.000	0.000	0.000	0.000
249	249	ILE	0	0.006	0.003	26.163	0.008	0.008	0.000	0.000	0.000	0.000
250	250	PHE	0	0.030	0.011	19.706	-0.009	-0.009	0.000	0.000	0.000	0.000
251	251	ILE	0	-0.035	-0.019	22.526	0.013	0.013	0.000	0.000	0.000	0.000
252	252	ASN	0	0.014	-0.003	20.822	-0.019	-0.019	0.000	0.000	0.000	0.000
253	253	THR	0	-0.037	-0.021	19.023	-0.006	-0.006	0.000	0.000	0.000	0.000
254	254	ARG	1	0.969	0.965	12.252	0.417	0.417	0.000	0.000	0.000	0.000
255	255	ARG	1	0.967	0.996	19.472	0.097	0.097	0.000	0.000	0.000	0.000
256	256	LYS	1	0.788	0.859	22.393	0.079	0.079	0.000	0.000	0.000	0.000
257	257	VAL	0	0.038	0.024	21.075	0.007	0.007	0.000	0.000	0.000	0.000
258	258	ASP	-1	-0.870	-0.917	22.262	-0.144	-0.144	0.000	0.000	0.000	0.000
259	259	TRP	0	-0.021	-0.008	24.697	0.008	0.008	0.000	0.000	0.000	0.000
260	260	LEU	0	0.012	-0.002	27.413	0.006	0.006	0.000	0.000	0.000	0.000
261	261	THR	0	-0.031	-0.032	25.820	0.003	0.003	0.000	0.000	0.000	0.000
262	262	GLU	-1	-0.949	-0.964	28.442	-0.068	-0.068	0.000	0.000	0.000	0.000
263	263	LYS	1	0.906	0.946	30.926	0.067	0.067	0.000	0.000	0.000	0.000
264	264	MET	0	-0.020	-0.013	31.929	0.006	0.006	0.000	0.000	0.000	0.000
265	265	HIS	0	-0.001	0.008	32.358	0.004	0.004	0.000	0.000	0.000	0.000
266	266	ALA	0	-0.019	-0.004	34.307	0.003	0.003	0.000	0.000	0.000	0.000
267	267	ARG	1	0.778	0.877	36.921	0.053	0.053	0.000	0.000	0.000	0.000
268	268	ASP	-1	-0.906	-0.939	38.149	-0.050	-0.050	0.000	0.000	0.000	0.000
269	269	PHE	0	-0.022	-0.008	35.509	-0.001	-0.001	0.000	0.000	0.000	0.000
270	270	THR	0	-0.020	-0.010	32.974	-0.004	-0.004	0.000	0.000	0.000	0.000
271	271	VAL	0	0.015	0.010	29.361	0.001	0.001	0.000	0.000	0.000	0.000
272	272	SER	0	-0.024	0.002	25.733	-0.006	-0.006	0.000	0.000	0.000	0.000
273	273	ALA	0	0.047	0.015	23.829	0.004	0.004	0.000	0.000	0.000	0.000
274	274	MET	0	-0.054	-0.014	17.600	-0.015	-0.015	0.000	0.000	0.000	0.000
275	275	HIS	0	0.010	-0.013	16.604	-0.026	-0.026	0.000	0.000	0.000	0.000
276	276	GLY	0	0.004	-0.028	12.659	-0.005	-0.005	0.000	0.000	0.000	0.000
277	277	ASP	-1	-1.034	-1.007	12.707	-0.348	-0.348	0.000	0.000	0.000	0.000
278	278	MET	0	-0.040	0.016	15.072	0.015	0.015	0.000	0.000	0.000	0.000
279	279	ASP	-1	-0.881	-0.940	14.803	-0.302	-0.302	0.000	0.000	0.000	0.000
280	280	GLN	0	-0.029	-0.036	13.360	-0.040	-0.040	0.000	0.000	0.000	0.000
281	281	LYS	1	0.914	0.941	15.765	0.194	0.194	0.000	0.000	0.000	0.000
282	282	GLU	-1	-0.870	-0.918	19.177	-0.149	-0.149	0.000	0.000	0.000	0.000
283	283	ARG	1	0.798	0.851	11.436	0.504	0.504	0.000	0.000	0.000	0.000
284	284	ASP	-1	-0.922	-0.962	18.266	-0.181	-0.181	0.000	0.000	0.000	0.000
285	285	VAL	0	-0.001	0.004	19.606	0.019	0.019	0.000	0.000	0.000	0.000
286	286	ILE	0	0.025	0.000	21.431	0.014	0.014	0.000	0.000	0.000	0.000
287	287	MET	0	0.000	0.007	19.065	0.018	0.018	0.000	0.000	0.000	0.000
288	288	ARG	1	0.813	0.901	22.212	0.131	0.131	0.000	0.000	0.000	0.000
289	289	GLU	-1	-0.828	-0.905	25.001	-0.095	-0.095	0.000	0.000	0.000	0.000
290	290	PHE	0	0.021	0.014	24.811	0.008	0.008	0.000	0.000	0.000	0.000
291	291	ARG	1	0.880	0.919	23.249	0.128	0.128	0.000	0.000	0.000	0.000
292	292	SER	0	-0.029	-0.001	27.185	0.006	0.006	0.000	0.000	0.000	0.000
293	293	GLY	0	-0.018	-0.013	30.003	0.006	0.006	0.000	0.000	0.000	0.000
294	294	SER	0	-0.103	-0.039	30.433	0.006	0.006	0.000	0.000	0.000	0.000
295	295	SER	0	-0.009	-0.003	27.817	0.005	0.005	0.000	0.000	0.000	0.000
296	296	ARG	1	0.938	0.964	30.557	0.066	0.066	0.000	0.000	0.000	0.000
297	297	VAL	0	0.050	0.015	30.043	0.000	0.000	0.000	0.000	0.000	0.000
298	298	LEU	0	-0.046	-0.010	22.385	-0.003	-0.003	0.000	0.000	0.000	0.000
299	299	ILE	0	0.037	0.014	23.910	0.002	0.002	0.000	0.000	0.000	0.000
300	300	THR	0	-0.038	-0.046	19.285	-0.019	-0.019	0.000	0.000	0.000	0.000
301	301	THR	0	0.040	0.012	16.139	0.021	0.021	0.000	0.000	0.000	0.000
302	302	ASP	-1	-0.787	-0.877	16.491	-0.137	-0.137	0.000	0.000	0.000	0.000
303	303	LEU	0	-0.022	0.014	12.356	-0.008	-0.008	0.000	0.000	0.000	0.000
304	304	LEU	0	-0.002	-0.013	14.807	-0.003	-0.003	0.000	0.000	0.000	0.000
305	305	ALA	0	0.009	0.007	17.204	0.024	0.024	0.000	0.000	0.000	0.000
306	306	ARG	1	0.778	0.868	14.982	0.115	0.115	0.000	0.000	0.000	0.000
307	307	GLY	0	0.017	-0.002	17.423	-0.014	-0.014	0.000	0.000	0.000	0.000
308	308	ILE	0	-0.033	-0.003	16.707	0.006	0.006	0.000	0.000	0.000	0.000
309	309	ASP	-1	-0.853	-0.917	20.353	-0.083	-0.083	0.000	0.000	0.000	0.000
310	310	VAL	0	0.025	-0.004	23.890	-0.009	-0.009	0.000	0.000	0.000	0.000
311	311	GLN	0	-0.009	0.006	26.533	0.004	0.004	0.000	0.000	0.000	0.000
312	312	GLN	0	0.013	-0.010	29.921	0.001	0.001	0.000	0.000	0.000	0.000
313	313	VAL	0	-0.031	0.003	27.217	0.004	0.004	0.000	0.000	0.000	0.000
314	314	SER	0	-0.054	-0.041	30.491	0.002	0.002	0.000	0.000	0.000	0.000
315	315	LEU	0	0.014	0.007	32.222	0.002	0.002	0.000	0.000	0.000	0.000
316	316	VAL	0	-0.011	-0.008	26.126	-0.006	-0.006	0.000	0.000	0.000	0.000
317	317	ILE	0	0.006	0.002	28.818	0.006	0.006	0.000	0.000	0.000	0.000
318	318	ASN	0	-0.023	-0.010	25.878	-0.016	-0.016	0.000	0.000	0.000	0.000
319	319	TYR	0	0.065	0.025	27.442	0.007	0.007	0.000	0.000	0.000	0.000
320	320	ASP	-1	-0.782	-0.868	24.876	-0.075	-0.075	0.000	0.000	0.000	0.000
321	321	LEU	0	0.038	0.021	25.853	-0.006	-0.006	0.000	0.000	0.000	0.000
322	322	PRO	0	-0.009	0.030	22.433	0.000	0.000	0.000	0.000	0.000	0.000
323	323	THR	0	0.013	-0.015	22.135	0.010	0.010	0.000	0.000	0.000	0.000
324	324	ASN	0	-0.003	0.003	19.795	0.003	0.003	0.000	0.000	0.000	0.000
325	325	ARG	1	0.982	0.990	21.955	0.021	0.021	0.000	0.000	0.000	0.000
326	326	GLU	-1	-0.872	-0.937	20.615	-0.024	-0.024	0.000	0.000	0.000	0.000
327	327	ASN	0	-0.040	-0.040	18.170	0.003	0.003	0.000	0.000	0.000	0.000
328	328	TYR	0	0.014	0.006	20.755	-0.009	-0.009	0.000	0.000	0.000	0.000
329	329	ILE	0	0.009	0.007	23.479	-0.004	-0.004	0.000	0.000	0.000	0.000
330	330	HIS	0	-0.064	-0.033	19.910	-0.009	-0.009	0.000	0.000	0.000	0.000
331	331	ARG	1	0.820	0.864	20.737	0.102	0.102	0.000	0.000	0.000	0.000
332	332	ILE	0	0.027	0.016	22.974	-0.002	-0.002	0.000	0.000	0.000	0.000
333	333	GLY	0	0.005	0.022	24.829	0.002	0.002	0.000	0.000	0.000	0.000
334	334	ARG	1	0.771	0.872	20.980	0.113	0.113	0.000	0.000	0.000	0.000
335	335	GLY	0	0.017	0.007	24.957	-0.001	-0.001	0.000	0.000	0.000	0.000
336	336	GLY	0	0.015	0.000	28.826	0.001	0.001	0.000	0.000	0.000	0.000
337	337	ARG	1	0.760	0.892	25.193	0.090	0.090	0.000	0.000	0.000	0.000
338	338	PHE	0	-0.014	-0.021	30.146	0.003	0.003	0.000	0.000	0.000	0.000
339	339	GLY	0	0.007	0.014	32.284	0.003	0.003	0.000	0.000	0.000	0.000
340	340	ARG	1	0.844	0.926	33.842	0.055	0.055	0.000	0.000	0.000	0.000
341	341	LYS	1	0.937	0.957	34.492	0.036	0.036	0.000	0.000	0.000	0.000
342	342	GLY	0	0.083	0.046	33.307	0.000	0.000	0.000	0.000	0.000	0.000
343	343	VAL	0	-0.040	-0.018	33.634	0.004	0.004	0.000	0.000	0.000	0.000
344	344	ALA	0	0.022	0.009	30.874	-0.005	-0.005	0.000	0.000	0.000	0.000
345	345	ILE	0	0.015	0.006	31.884	0.004	0.004	0.000	0.000	0.000	0.000
346	346	ASN	0	-0.009	-0.008	30.099	-0.008	-0.008	0.000	0.000	0.000	0.000
347	347	MET	0	0.002	0.002	31.711	0.003	0.003	0.000	0.000	0.000	0.000
348	348	VAL	0	-0.019	-0.002	32.600	-0.001	-0.001	0.000	0.000	0.000	0.000
349	349	THR	0	-0.026	-0.022	33.302	0.003	0.003	0.000	0.000	0.000	0.000
350	350	GLU	-1	-0.814	-0.915	35.748	-0.019	-0.019	0.000	0.000	0.000	0.000
351	351	GLU	-1	-0.961	-0.980	32.972	-0.018	-0.018	0.000	0.000	0.000	0.000
352	352	ASP	-1	-0.864	-0.903	30.636	-0.043	-0.043	0.000	0.000	0.000	0.000
353	353	LYS	1	0.817	0.893	32.797	0.020	0.020	0.000	0.000	0.000	0.000
354	354	ARG	1	0.810	0.890	32.555	0.014	0.014	0.000	0.000	0.000	0.000
355	355	THR	0	0.039	0.008	28.027	0.001	0.001	0.000	0.000	0.000	0.000
356	356	LEU	0	0.023	0.021	30.753	-0.001	-0.001	0.000	0.000	0.000	0.000
357	357	ARG	1	0.973	0.985	32.815	0.016	0.016	0.000	0.000	0.000	0.000
358	358	ASP	-1	-0.855	-0.904	30.716	-0.013	-0.013	0.000	0.000	0.000	0.000
359	359	ILE	0	-0.035	-0.016	27.725	0.001	0.001	0.000	0.000	0.000	0.000
360	360	GLU	-1	-0.809	-0.918	30.428	-0.025	-0.025	0.000	0.000	0.000	0.000
361	361	THR	0	-0.060	-0.029	33.387	0.003	0.003	0.000	0.000	0.000	0.000
362	362	PHE	0	-0.089	-0.048	25.665	0.003	0.003	0.000	0.000	0.000	0.000
363	363	TYR	0	-0.032	-0.050	25.504	0.000	0.000	0.000	0.000	0.000	0.000
364	364	ASN	0	-0.092	-0.023	31.855	-0.001	-0.001	0.000	0.000	0.000	0.000
365	365	THR	0	-0.020	-0.017	34.192	0.000	0.000	0.000	0.000	0.000	0.000
366	366	SER	0	-0.070	-0.045	35.535	-0.001	-0.001	0.000	0.000	0.000	0.000
367	367	ILE	0	-0.060	-0.023	32.321	-0.003	-0.003	0.000	0.000	0.000	0.000
368	368	GLU	-1	-0.854	-0.904	36.885	-0.024	-0.024	0.000	0.000	0.000	0.000
369	369	GLU	-1	-0.971	-0.992	39.026	-0.029	-0.029	0.000	0.000	0.000	0.000
370	370	MET	0	-0.058	-0.021	38.642	-0.001	-0.001	0.000	0.000	0.000	0.000
371	371	PRO	0	0.003	0.014	40.536	0.001	0.001	0.000	0.000	0.000	0.000
372	372	LEU	0	0.034	-0.007	43.031	-0.002	-0.002	0.000	0.000	0.000	0.000
373	373	ASN	0	-0.072	-0.039	45.411	0.000	0.000	0.000	0.000	0.000	0.000
374	374	VAL	0	0.013	0.007	38.861	-0.001	-0.001	0.000	0.000	0.000	0.000
375	375	ALA	0	0.023	-0.001	41.077	-0.002	-0.002	0.000	0.000	0.000	0.000
376	376	ASP	-1	-0.882	-0.929	42.603	-0.035	-0.035	0.000	0.000	0.000	0.000
377	377	LEU	0	-0.153	-0.074	40.384	0.001	0.001	0.000	0.000	0.000	0.000
378	378	ILE	-1	-0.798	-0.851	36.800	-0.052	-0.052	0.000	0.000	0.000	0.000
379	379	A	-1	-0.549	-0.642	14.221	0.128	0.128	0.000	0.000	0.000	0.000
380	379	A	0	-0.352	-0.294	17.826	-0.010	-0.010	0.000	0.000	0.000	0.000
381	380	G	-1	-0.513	-0.613	15.635	0.040	0.040	0.000	0.000	0.000	0.000
382	380	G	0	-0.363	-0.319	17.041	0.000	0.000	0.000	0.000	0.000	0.000
383	381	A	-1	-0.629	-0.684	16.604	-0.058	-0.058	0.000	0.000	0.000	0.000
384	381	A	0	-0.382	-0.323	15.878	-0.009	-0.009	0.000	0.000	0.000	0.000
385	382	G	-1	-0.515	-0.645	15.543	-0.179	-0.179	0.000	0.000	0.000	0.000
386	382	G	0	-0.326	-0.293	12.114	0.030	0.030	0.000	0.000	0.000	0.000
387	383	A	-1	-0.471	-0.587	10.970	-0.338	-0.338	0.000	0.000	0.000	0.000
388	383	A	0	-0.321	-0.287	8.622	-0.047	-0.047	0.000	0.000	0.000	0.000
389	384	G	-1	-0.445	-0.569	7.307	-0.557	-0.557	0.000	0.000	0.000	0.000
390	384	G	0	-0.382	-0.327	5.062	-0.284	-0.284	0.000	0.000	0.000	0.000
395	387	A	-1	-0.603	-0.682	5.638	-0.505	-0.505	0.000	0.000	0.000	0.000
396	387	A	0	-0.337	-0.294	6.147	0.061	0.061	0.000	0.000	0.000	0.000
397	388	G	0	0.306	0.243	9.120	-0.016	-0.016	0.000	0.000	0.000	0.000
398	388	G	0	-0.372	-0.284	5.625	-0.666	-0.666	0.000	0.000	0.000	0.000

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