FMO DATABASE

FMODB ID: V59G1

Calculation Name: 6XKI-A-MD433-91ns

Preferred Name:

Target Type:

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

ligand 3-letter code: V6D

PDB ID: 6XKI

Chain ID: A

ChEMBL ID:

UniProt ID:

Base Structure: MD

Registration Date: 2023-09-19

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

DOI:

IFIE MAP

IFIE Diagram

Modeling method

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

FMO calculation

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

Total energy (hartree)

FMO2-HF: Electronic energy	-7630194.21483
FMO2-HF: Nuclear repulsion	7460990.275646
FMO2-HF: Total energy	-169203.939184
FMO2-MP2: Total energy	-169681.661884

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.
-275.523341	-227.134947	39.593429	-19.284878	-68.696945	0.028164

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.
-46.564	-11.764	27.356	-14.365	-47.788	-0.024

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 : -0.051 / q_NPA : -0.013

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	0.030	0.003	3.297	-0.676	0.110	0.061	-0.159	-0.688	0.000
132	132	GLY	0	0.035	0.028	2.367	-2.863	0.319	2.880	-2.828	-3.233	-0.003
133	133	ARG	1	0.814	0.871	2.802	-0.638	-0.299	0.447	0.986	-1.772	-0.012
134	134	VAL	0	0.026	0.012	5.314	-0.288	-0.156	-0.001	-0.009	-0.121	0.000
135	135	PHE	0	0.046	0.013	2.433	-12.035	-5.075	9.153	-3.945	-12.168	0.016
136	136	ASP	-1	-0.761	-0.841	2.824	-5.911	-3.577	0.226	-0.945	-1.616	-0.003
137	137	MET	0	-0.028	-0.017	3.511	0.330	0.521	0.013	0.067	-0.270	0.000
139	139	ASN	0	-0.104	-0.054	2.559	-1.095	-0.180	2.029	-0.719	-2.226	-0.004
140	140	ARG	1	0.754	0.847	4.591	1.166	1.295	-0.001	-0.013	-0.115	0.000
166	166	ASP	-1	-0.888	-0.952	4.586	0.258	0.329	-0.001	-0.014	-0.055	0.000
167	167	GLN	0	-0.007	-0.008	2.662	-9.530	-3.675	5.012	-3.299	-7.567	0.002
168	168	ILE	0	0.013	-0.009	3.363	-1.764	-1.864	0.053	1.131	-1.083	-0.001
170	170	ASP	-1	-0.884	-0.951	2.484	0.404	3.256	0.955	-1.194	-2.614	-0.010
171	171	ILE	0	-0.057	-0.029	3.409	-0.463	0.628	0.158	-0.171	-1.078	0.000
172	172	PHE	0	-0.040	-0.029	5.298	0.130	0.130	-0.001	-0.003	0.004	0.000
391	385	A	-1	-0.453	-0.575	2.975	-2.483	-1.226	0.077	-0.390	-0.944	-0.001
392	385	A	0	-0.327	-0.290	3.250	-2.063	-1.082	0.054	-0.327	-0.708	-0.002
393	386	G	-1	-0.530	-0.640	2.640	-1.022	-0.232	0.376	-0.322	-0.844	0.002
394	386	G	0	-0.368	-0.319	2.923	-6.637	0.398	5.866	-2.211	-10.690	-0.008
1	1	GLU	0	-0.127	-0.075	35.828	0.003	0.003	0.000	0.000	0.000	0.000
2	2	ILE	0	0.078	0.032	35.685	0.001	0.001	0.000	0.000	0.000	0.000
3	3	VAL	0	-0.013	0.000	34.653	-0.001	-0.001	0.000	0.000	0.000	0.000
4	4	ASP	-1	-0.934	-0.974	35.768	0.006	0.006	0.000	0.000	0.000	0.000
5	5	SER	0	0.077	0.035	38.143	-0.003	-0.003	0.000	0.000	0.000	0.000
6	6	PHE	0	0.011	-0.024	33.274	0.002	0.002	0.000	0.000	0.000	0.000
7	7	ASP	-1	-0.869	-0.912	36.896	0.001	0.001	0.000	0.000	0.000	0.000
8	8	ASP	-1	-0.939	-0.972	38.752	0.011	0.011	0.000	0.000	0.000	0.000
9	9	MET	0	-0.119	-0.071	32.690	0.003	0.003	0.000	0.000	0.000	0.000
10	10	ASN	0	-0.070	-0.029	34.432	0.000	0.000	0.000	0.000	0.000	0.000
11	11	LEU	0	-0.024	-0.009	31.341	0.001	0.001	0.000	0.000	0.000	0.000
12	12	SER	0	0.021	0.010	33.498	-0.002	-0.002	0.000	0.000	0.000	0.000
13	13	GLU	-1	-0.895	-0.957	35.047	-0.012	-0.012	0.000	0.000	0.000	0.000
14	14	SER	0	-0.015	-0.008	33.972	-0.003	-0.003	0.000	0.000	0.000	0.000
15	15	LEU	0	0.024	0.017	29.244	-0.003	-0.003	0.000	0.000	0.000	0.000
16	16	LEU	0	0.003	0.012	32.663	-0.002	-0.002	0.000	0.000	0.000	0.000
17	17	ARG	1	0.925	0.965	35.559	0.026	0.026	0.000	0.000	0.000	0.000
18	18	GLY	0	0.047	0.023	31.980	-0.003	-0.003	0.000	0.000	0.000	0.000
19	19	ILE	0	-0.035	-0.023	31.563	-0.003	-0.003	0.000	0.000	0.000	0.000
20	20	TYR	0	-0.023	-0.017	33.037	-0.001	-0.001	0.000	0.000	0.000	0.000
21	21	ALA	0	-0.053	-0.017	33.278	-0.001	-0.001	0.000	0.000	0.000	0.000
22	22	TYR	0	-0.032	-0.027	26.477	-0.005	-0.005	0.000	0.000	0.000	0.000
23	23	GLY	0	0.017	0.030	31.463	-0.003	-0.003	0.000	0.000	0.000	0.000
24	24	PHE	0	-0.082	-0.043	29.020	0.001	0.001	0.000	0.000	0.000	0.000
25	25	GLU	-1	-0.879	-0.944	32.576	-0.019	-0.019	0.000	0.000	0.000	0.000
26	26	LYS	1	0.921	0.959	34.453	0.002	0.002	0.000	0.000	0.000	0.000
27	27	PRO	0	0.000	0.009	32.412	-0.001	-0.001	0.000	0.000	0.000	0.000
28	28	SER	0	0.061	0.036	31.474	0.003	0.003	0.000	0.000	0.000	0.000
29	29	ALA	0	0.061	0.022	32.843	0.003	0.003	0.000	0.000	0.000	0.000
30	30	ILE	0	-0.032	-0.005	26.823	0.004	0.004	0.000	0.000	0.000	0.000
31	31	GLN	0	0.037	-0.002	26.829	0.006	0.006	0.000	0.000	0.000	0.000
32	32	GLN	0	-0.039	-0.025	29.899	0.004	0.004	0.000	0.000	0.000	0.000
33	33	ARG	1	0.901	0.940	31.449	-0.025	-0.025	0.000	0.000	0.000	0.000
34	34	ALA	0	0.007	0.013	26.323	0.005	0.005	0.000	0.000	0.000	0.000
35	35	ILE	0	0.063	0.036	27.414	0.004	0.004	0.000	0.000	0.000	0.000
36	36	LEU	0	0.021	0.020	28.538	0.003	0.003	0.000	0.000	0.000	0.000
37	37	PRO	0	-0.015	-0.026	27.554	0.002	0.002	0.000	0.000	0.000	0.000
38	38	CYS	0	-0.018	-0.003	24.416	0.007	0.007	0.000	0.000	0.000	0.000
39	39	ILE	0	0.043	0.031	25.408	0.003	0.003	0.000	0.000	0.000	0.000
40	40	LYS	1	0.863	0.931	27.989	-0.036	-0.036	0.000	0.000	0.000	0.000
41	41	GLY	0	0.043	0.030	24.220	0.004	0.004	0.000	0.000	0.000	0.000
42	42	TYR	0	-0.046	-0.026	23.453	0.008	0.008	0.000	0.000	0.000	0.000
43	43	ASP	-1	-0.734	-0.846	19.939	0.135	0.135	0.000	0.000	0.000	0.000
44	44	VAL	0	-0.028	-0.026	21.039	-0.006	-0.006	0.000	0.000	0.000	0.000
45	45	ILE	0	0.008	0.013	19.654	0.004	0.004	0.000	0.000	0.000	0.000
46	46	ALA	0	0.021	0.000	21.944	-0.006	-0.006	0.000	0.000	0.000	0.000
47	47	GLN	0	-0.011	0.007	23.281	0.001	0.001	0.000	0.000	0.000	0.000
48	48	ALA	0	-0.026	-0.016	24.067	-0.006	-0.006	0.000	0.000	0.000	0.000
49	49	GLN	0	0.058	0.014	24.374	-0.006	-0.006	0.000	0.000	0.000	0.000
50	50	SER	0	0.013	0.012	25.284	-0.004	-0.004	0.000	0.000	0.000	0.000
51	51	GLY	0	0.038	0.020	26.412	0.001	0.001	0.000	0.000	0.000	0.000
52	52	THR	0	-0.058	-0.035	27.045	0.004	0.004	0.000	0.000	0.000	0.000
53	53	GLY	0	0.051	0.032	27.011	0.002	0.002	0.000	0.000	0.000	0.000
54	54	LYS	1	0.786	0.872	19.372	0.028	0.028	0.000	0.000	0.000	0.000
55	55	THR	0	0.045	0.014	20.248	0.008	0.008	0.000	0.000	0.000	0.000
56	56	ALA	0	0.044	0.021	22.135	0.004	0.004	0.000	0.000	0.000	0.000
57	57	THR	0	-0.022	-0.009	23.845	0.006	0.006	0.000	0.000	0.000	0.000
58	58	PHE	0	0.051	0.028	18.282	0.008	0.008	0.000	0.000	0.000	0.000
59	59	ALA	0	0.003	-0.001	22.134	0.003	0.003	0.000	0.000	0.000	0.000
60	60	ILE	0	0.034	0.016	23.236	-0.001	-0.001	0.000	0.000	0.000	0.000
61	61	SER	0	-0.023	-0.030	23.849	0.001	0.001	0.000	0.000	0.000	0.000
62	62	ILE	0	-0.012	-0.005	19.135	0.006	0.006	0.000	0.000	0.000	0.000
63	63	LEU	0	-0.001	-0.001	23.301	0.001	0.001	0.000	0.000	0.000	0.000
64	64	GLN	0	0.051	0.030	26.138	-0.004	-0.004	0.000	0.000	0.000	0.000
65	65	GLN	0	-0.118	-0.067	23.586	0.006	0.006	0.000	0.000	0.000	0.000
66	66	ILE	0	-0.071	-0.022	22.587	0.003	0.003	0.000	0.000	0.000	0.000
67	67	GLU	-1	-0.855	-0.910	26.489	-0.007	-0.007	0.000	0.000	0.000	0.000
68	68	LEU	0	0.030	0.000	27.235	-0.003	-0.003	0.000	0.000	0.000	0.000
69	69	ASP	-1	-0.900	-0.944	27.977	-0.026	-0.026	0.000	0.000	0.000	0.000
70	70	LEU	0	-0.089	-0.039	24.203	-0.002	-0.002	0.000	0.000	0.000	0.000
71	71	LYS	1	0.944	0.975	23.722	0.060	0.060	0.000	0.000	0.000	0.000
72	72	ALA	0	0.007	-0.002	18.344	-0.011	-0.011	0.000	0.000	0.000	0.000
73	73	THR	0	0.018	0.002	15.076	0.003	0.003	0.000	0.000	0.000	0.000
74	74	GLN	0	-0.039	-0.020	17.927	0.025	0.025	0.000	0.000	0.000	0.000
75	75	ALA	0	-0.011	-0.008	17.634	0.018	0.018	0.000	0.000	0.000	0.000
76	76	LEU	0	-0.018	-0.002	9.803	-0.021	-0.021	0.000	0.000	0.000	0.000
77	77	VAL	0	-0.009	-0.008	13.722	0.026	0.026	0.000	0.000	0.000	0.000
78	78	LEU	0	-0.002	-0.003	7.494	-0.020	-0.020	0.000	0.000	0.000	0.000
79	79	ALA	0	0.026	0.000	10.265	0.007	0.007	0.000	0.000	0.000	0.000
80	80	PRO	0	0.029	0.009	9.294	-0.060	-0.060	0.000	0.000	0.000	0.000
81	81	THR	0	-0.017	-0.009	9.064	-0.148	-0.148	0.000	0.000	0.000	0.000
82	82	ARG	1	0.875	0.912	7.792	1.130	1.130	0.000	0.000	0.000	0.000
83	83	GLU	-1	-0.728	-0.840	12.054	-0.317	-0.317	0.000	0.000	0.000	0.000
84	84	LEU	0	-0.007	0.008	14.201	0.036	0.036	0.000	0.000	0.000	0.000
85	85	ALA	0	0.019	0.009	12.435	0.035	0.035	0.000	0.000	0.000	0.000
86	86	GLN	0	0.012	-0.017	14.607	0.041	0.041	0.000	0.000	0.000	0.000
87	87	GLN	0	-0.074	-0.024	17.609	0.024	0.024	0.000	0.000	0.000	0.000
88	88	ILE	0	0.023	0.006	15.706	0.016	0.016	0.000	0.000	0.000	0.000
89	89	GLN	0	-0.039	-0.030	17.872	0.014	0.014	0.000	0.000	0.000	0.000
90	90	LYS	1	0.956	0.972	19.578	0.144	0.144	0.000	0.000	0.000	0.000
91	91	VAL	0	-0.010	0.012	22.396	0.008	0.008	0.000	0.000	0.000	0.000
92	92	VAL	0	0.008	-0.003	20.434	0.008	0.008	0.000	0.000	0.000	0.000
93	93	MET	0	-0.023	-0.003	23.044	0.006	0.006	0.000	0.000	0.000	0.000
94	94	ALA	0	0.010	0.035	25.570	0.001	0.001	0.000	0.000	0.000	0.000
95	95	LEU	0	-0.032	-0.023	25.780	0.005	0.005	0.000	0.000	0.000	0.000
96	96	GLY	0	0.026	-0.008	27.418	0.006	0.006	0.000	0.000	0.000	0.000
97	97	ASP	-1	-0.959	-0.965	28.484	-0.053	-0.053	0.000	0.000	0.000	0.000
98	98	TYR	0	-0.018	-0.027	30.630	0.000	0.000	0.000	0.000	0.000	0.000
99	99	MET	0	-0.072	-0.027	29.249	0.001	0.001	0.000	0.000	0.000	0.000
100	100	GLY	0	0.030	0.024	30.304	0.002	0.002	0.000	0.000	0.000	0.000
101	101	ALA	0	-0.034	-0.010	25.293	-0.001	-0.001	0.000	0.000	0.000	0.000
102	102	SER	0	-0.045	-0.040	23.026	-0.007	-0.007	0.000	0.000	0.000	0.000
103	103	CYS	0	-0.057	-0.040	18.986	0.004	0.004	0.000	0.000	0.000	0.000
104	104	HIS	0	-0.017	-0.020	14.517	0.017	0.017	0.000	0.000	0.000	0.000
105	105	ALA	0	0.010	0.008	14.649	0.016	0.016	0.000	0.000	0.000	0.000
106	106	CYS	0	-0.050	-0.007	9.947	-0.017	-0.017	0.000	0.000	0.000	0.000
107	107	ILE	0	0.011	0.007	9.371	0.010	0.010	0.000	0.000	0.000	0.000
108	108	GLY	0	0.008	0.009	7.989	0.009	0.009	0.000	0.000	0.000	0.000
109	109	GLY	0	0.025	0.012	8.571	0.058	0.058	0.000	0.000	0.000	0.000
110	110	THR	0	-0.016	-0.006	10.759	0.098	0.098	0.000	0.000	0.000	0.000
111	111	ASN	0	0.027	0.005	11.554	-0.045	-0.045	0.000	0.000	0.000	0.000
112	112	VAL	0	0.098	0.048	8.444	0.026	0.026	0.000	0.000	0.000	0.000
113	113	ARG	1	0.933	0.966	11.578	0.282	0.282	0.000	0.000	0.000	0.000
114	114	ALA	0	-0.012	-0.012	14.598	0.024	0.024	0.000	0.000	0.000	0.000
115	115	GLU	-1	-0.749	-0.863	10.484	-0.345	-0.345	0.000	0.000	0.000	0.000
116	116	VAL	0	0.000	-0.009	11.408	0.029	0.029	0.000	0.000	0.000	0.000
117	117	GLN	0	-0.002	-0.003	13.929	0.030	0.030	0.000	0.000	0.000	0.000
118	118	LYS	1	0.920	0.970	16.232	0.184	0.184	0.000	0.000	0.000	0.000
119	119	LEU	0	0.011	-0.015	12.016	0.020	0.020	0.000	0.000	0.000	0.000
120	120	GLN	0	-0.043	-0.014	15.472	0.040	0.040	0.000	0.000	0.000	0.000
121	121	MET	0	-0.087	-0.032	18.694	0.018	0.018	0.000	0.000	0.000	0.000
122	122	GLU	-1	-0.910	-0.937	20.495	-0.093	-0.093	0.000	0.000	0.000	0.000
123	123	ALA	0	-0.049	-0.009	19.362	0.012	0.012	0.000	0.000	0.000	0.000
124	124	PRO	0	-0.024	-0.009	17.869	0.011	0.011	0.000	0.000	0.000	0.000
125	125	HIS	0	0.056	0.025	19.591	-0.003	-0.003	0.000	0.000	0.000	0.000
126	126	ILE	0	-0.030	-0.011	18.518	0.016	0.016	0.000	0.000	0.000	0.000
127	127	ILE	0	0.005	-0.003	12.605	-0.022	-0.022	0.000	0.000	0.000	0.000
128	128	VAL	0	0.034	0.016	13.861	0.029	0.029	0.000	0.000	0.000	0.000
129	129	GLY	0	0.021	-0.002	10.412	-0.035	-0.035	0.000	0.000	0.000	0.000
130	130	THR	0	-0.021	-0.017	6.429	0.112	0.112	0.000	0.000	0.000	0.000
138	138	LEU	0	0.006	0.014	5.980	0.093	0.093	0.000	0.000	0.000	0.000
141	141	ARG	1	0.898	0.951	6.971	0.436	0.436	0.000	0.000	0.000	0.000
142	142	TYR	0	0.004	0.009	9.539	0.058	0.058	0.000	0.000	0.000	0.000
143	143	LEU	0	0.011	0.025	9.241	0.048	0.048	0.000	0.000	0.000	0.000
144	144	SER	0	0.013	-0.008	11.011	0.033	0.033	0.000	0.000	0.000	0.000
145	145	PRO	0	0.036	0.004	11.585	-0.008	-0.008	0.000	0.000	0.000	0.000
146	146	LYS	1	0.897	0.952	14.370	-0.092	-0.092	0.000	0.000	0.000	0.000
147	147	TYR	0	-0.011	0.004	17.120	-0.003	-0.003	0.000	0.000	0.000	0.000
148	148	ILE	0	-0.025	-0.003	13.456	-0.008	-0.008	0.000	0.000	0.000	0.000
149	149	LYS	1	0.978	1.011	17.441	-0.026	-0.026	0.000	0.000	0.000	0.000
150	150	MET	0	-0.032	-0.008	18.255	0.008	0.008	0.000	0.000	0.000	0.000
151	151	PHE	0	0.015	-0.008	9.437	-0.008	-0.008	0.000	0.000	0.000	0.000
152	152	VAL	0	0.002	-0.001	14.237	-0.003	-0.003	0.000	0.000	0.000	0.000
153	153	LEU	0	0.013	0.015	10.603	0.015	0.015	0.000	0.000	0.000	0.000
154	154	ASP	-1	-0.804	-0.893	13.863	-0.031	-0.031	0.000	0.000	0.000	0.000
155	155	GLU	-1	-0.844	-0.916	13.983	-0.038	-0.038	0.000	0.000	0.000	0.000
156	156	ALA	0	0.020	-0.007	14.427	0.012	0.012	0.000	0.000	0.000	0.000
157	157	ASP	-1	-0.776	-0.831	14.710	0.061	0.061	0.000	0.000	0.000	0.000
158	158	GLU	-1	-0.841	-0.908	12.118	-0.032	-0.032	0.000	0.000	0.000	0.000
159	159	MET	0	-0.057	-0.009	8.143	0.040	0.040	0.000	0.000	0.000	0.000
160	160	LEU	0	-0.027	-0.018	10.333	0.117	0.117	0.000	0.000	0.000	0.000
161	161	SER	0	0.009	-0.006	11.162	-0.018	-0.018	0.000	0.000	0.000	0.000
162	162	ARG	1	0.758	0.840	10.617	-0.016	-0.016	0.000	0.000	0.000	0.000
163	163	GLY	0	0.080	0.071	8.187	0.074	0.074	0.000	0.000	0.000	0.000
164	164	PHE	0	-0.031	-0.022	5.414	0.185	0.185	0.000	0.000	0.000	0.000
165	165	LYS	1	0.922	0.974	6.786	0.077	0.077	0.000	0.000	0.000	0.000
169	169	TYR	0	-0.012	0.004	5.586	-0.207	-0.207	0.000	0.000	0.000	0.000
173	173	GLN	0	-0.023	0.002	7.282	-0.001	-0.001	0.000	0.000	0.000	0.000
174	174	LYS	1	0.841	0.942	5.249	-1.455	-1.455	0.000	0.000	0.000	0.000
175	175	LEU	0	-0.015	-0.005	9.133	-0.100	-0.100	0.000	0.000	0.000	0.000
176	176	ASN	0	0.030	0.019	11.518	0.009	0.009	0.000	0.000	0.000	0.000
177	177	SER	0	0.007	0.005	15.065	-0.023	-0.023	0.000	0.000	0.000	0.000
178	178	ASN	0	-0.062	-0.024	16.880	-0.009	-0.009	0.000	0.000	0.000	0.000
179	179	THR	0	0.003	-0.003	15.020	-0.017	-0.017	0.000	0.000	0.000	0.000
180	180	GLN	0	-0.030	0.001	17.808	0.005	0.005	0.000	0.000	0.000	0.000
181	181	VAL	0	-0.032	-0.020	14.683	0.003	0.003	0.000	0.000	0.000	0.000
182	182	VAL	0	-0.012	-0.006	17.141	-0.008	-0.008	0.000	0.000	0.000	0.000
183	183	LEU	0	0.001	-0.007	14.661	0.006	0.006	0.000	0.000	0.000	0.000
184	184	LEU	0	-0.004	-0.003	17.789	-0.009	-0.009	0.000	0.000	0.000	0.000
185	185	SER	0	-0.030	-0.040	18.193	-0.006	-0.006	0.000	0.000	0.000	0.000
186	186	ALA	0	0.046	0.044	20.334	0.004	0.004	0.000	0.000	0.000	0.000
187	187	THR	0	-0.017	-0.008	19.937	-0.002	-0.002	0.000	0.000	0.000	0.000
188	188	MET	0	-0.001	-0.010	18.569	0.011	0.011	0.000	0.000	0.000	0.000
189	189	PRO	0	0.050	0.031	20.008	0.000	0.000	0.000	0.000	0.000	0.000
190	190	SER	0	-0.009	-0.019	20.887	0.011	0.011	0.000	0.000	0.000	0.000
191	191	ASP	-1	-0.836	-0.910	18.508	0.109	0.109	0.000	0.000	0.000	0.000
192	192	VAL	0	-0.027	-0.014	15.847	0.018	0.018	0.000	0.000	0.000	0.000
193	193	LEU	0	-0.016	-0.014	17.605	0.011	0.011	0.000	0.000	0.000	0.000
194	194	GLU	-1	-0.867	-0.902	18.575	0.147	0.147	0.000	0.000	0.000	0.000
195	195	VAL	0	-0.016	-0.014	12.672	0.011	0.011	0.000	0.000	0.000	0.000
196	196	THR	0	0.017	-0.016	14.984	0.015	0.015	0.000	0.000	0.000	0.000
197	197	LYS	1	0.822	0.908	16.476	-0.126	-0.126	0.000	0.000	0.000	0.000
198	198	LYS	1	0.909	0.959	12.951	-0.263	-0.263	0.000	0.000	0.000	0.000
199	199	PHE	0	-0.018	-0.005	9.115	0.025	0.025	0.000	0.000	0.000	0.000
200	200	MET	0	-0.051	-0.016	14.468	-0.009	-0.009	0.000	0.000	0.000	0.000
201	201	ARG	1	0.814	0.889	16.329	-0.174	-0.174	0.000	0.000	0.000	0.000
202	202	ASP	-1	-0.917	-0.943	21.137	0.088	0.088	0.000	0.000	0.000	0.000
203	203	PRO	0	-0.016	-0.001	20.765	-0.006	-0.006	0.000	0.000	0.000	0.000
204	204	ILE	0	0.025	0.011	23.163	-0.006	-0.006	0.000	0.000	0.000	0.000
205	205	ARG	1	0.869	0.932	22.402	-0.100	-0.100	0.000	0.000	0.000	0.000
206	206	ILE	0	-0.019	-0.005	25.767	-0.005	-0.005	0.000	0.000	0.000	0.000
207	207	LEU	0	-0.008	-0.015	24.853	0.001	0.001	0.000	0.000	0.000	0.000
208	208	VAL	0	0.002	-0.001	28.158	-0.003	-0.003	0.000	0.000	0.000	0.000
209	209	LYS	1	0.932	0.972	29.432	-0.016	-0.016	0.000	0.000	0.000	0.000
210	210	LYS	1	0.929	0.959	27.013	-0.033	-0.033	0.000	0.000	0.000	0.000
211	211	GLU	-1	-0.949	-0.965	30.987	0.006	0.006	0.000	0.000	0.000	0.000
212	212	GLU	-1	-0.944	-0.974	32.876	0.001	0.001	0.000	0.000	0.000	0.000
213	213	LEU	0	-0.091	-0.028	26.545	-0.001	-0.001	0.000	0.000	0.000	0.000
214	214	THR	0	-0.017	-0.013	29.302	-0.006	-0.006	0.000	0.000	0.000	0.000
215	215	LEU	0	0.011	0.006	27.556	0.001	0.001	0.000	0.000	0.000	0.000
216	216	GLU	-1	-0.883	-0.938	32.096	-0.012	-0.012	0.000	0.000	0.000	0.000
217	217	GLY	0	-0.079	-0.041	33.303	-0.001	-0.001	0.000	0.000	0.000	0.000
218	218	ILE	0	-0.009	-0.006	29.655	-0.004	-0.004	0.000	0.000	0.000	0.000
219	219	ARG	1	0.947	0.993	33.549	0.026	0.026	0.000	0.000	0.000	0.000
220	220	GLN	0	0.043	0.020	31.045	-0.003	-0.003	0.000	0.000	0.000	0.000
221	221	PHE	0	0.039	0.010	34.505	0.003	0.003	0.000	0.000	0.000	0.000
222	222	TYR	0	-0.038	-0.020	34.351	-0.003	-0.003	0.000	0.000	0.000	0.000
223	223	ILE	0	0.065	0.039	35.648	0.001	0.001	0.000	0.000	0.000	0.000
224	224	ASN	0	-0.018	-0.005	36.657	-0.003	-0.003	0.000	0.000	0.000	0.000
225	225	VAL	0	0.013	0.002	35.402	-0.001	-0.001	0.000	0.000	0.000	0.000
226	226	GLU	-1	-0.870	-0.928	38.669	-0.018	-0.018	0.000	0.000	0.000	0.000
227	227	ARG	1	0.894	0.934	37.322	0.029	0.029	0.000	0.000	0.000	0.000
228	228	GLU	-1	-0.843	-0.939	31.196	-0.052	-0.052	0.000	0.000	0.000	0.000
229	229	GLU	-1	-0.992	-1.011	34.910	-0.041	-0.041	0.000	0.000	0.000	0.000
230	230	TRP	0	-0.025	0.000	37.619	-0.001	-0.001	0.000	0.000	0.000	0.000
231	231	LYS	1	0.874	0.945	29.362	0.052	0.052	0.000	0.000	0.000	0.000
232	232	LEU	0	0.019	0.006	33.202	-0.002	-0.002	0.000	0.000	0.000	0.000
233	233	ASP	-1	-0.825	-0.922	35.253	-0.044	-0.044	0.000	0.000	0.000	0.000
234	234	THR	0	0.000	0.009	36.997	0.002	0.002	0.000	0.000	0.000	0.000
235	235	LEU	0	-0.021	-0.014	31.649	-0.001	-0.001	0.000	0.000	0.000	0.000
236	236	CYS	0	-0.108	-0.052	35.759	-0.002	-0.002	0.000	0.000	0.000	0.000
237	237	ASP	-1	-0.959	-0.969	38.509	-0.035	-0.035	0.000	0.000	0.000	0.000
238	238	LEU	0	0.043	0.019	36.818	0.001	0.001	0.000	0.000	0.000	0.000
239	239	TYR	0	0.036	0.027	34.720	-0.003	-0.003	0.000	0.000	0.000	0.000
240	240	GLU	-1	-0.869	-0.928	38.211	-0.046	-0.046	0.000	0.000	0.000	0.000
241	241	THR	0	-0.038	-0.043	37.354	-0.001	-0.001	0.000	0.000	0.000	0.000
242	242	LEU	0	-0.055	-0.025	32.524	-0.002	-0.002	0.000	0.000	0.000	0.000
243	243	THR	0	-0.012	-0.011	35.664	-0.005	-0.005	0.000	0.000	0.000	0.000
244	244	ILE	0	0.031	0.014	38.372	-0.001	-0.001	0.000	0.000	0.000	0.000
245	245	THR	0	-0.103	-0.054	35.201	0.001	0.001	0.000	0.000	0.000	0.000
246	246	GLN	0	-0.039	-0.026	29.724	0.001	0.001	0.000	0.000	0.000	0.000
247	247	ALA	0	0.014	0.003	31.048	0.003	0.003	0.000	0.000	0.000	0.000
248	248	VAL	0	-0.018	-0.005	24.427	-0.007	-0.007	0.000	0.000	0.000	0.000
249	249	ILE	0	0.005	0.005	26.979	0.008	0.008	0.000	0.000	0.000	0.000
250	250	PHE	0	0.025	0.005	20.822	-0.010	-0.010	0.000	0.000	0.000	0.000
251	251	ILE	0	-0.051	-0.031	22.027	0.013	0.013	0.000	0.000	0.000	0.000
252	252	ASN	0	0.031	0.000	20.230	-0.020	-0.020	0.000	0.000	0.000	0.000
253	253	THR	0	-0.048	-0.016	18.895	-0.004	-0.004	0.000	0.000	0.000	0.000
254	254	ARG	1	0.919	0.944	10.934	0.429	0.429	0.000	0.000	0.000	0.000
255	255	ARG	1	0.987	0.985	18.537	0.134	0.134	0.000	0.000	0.000	0.000
256	256	LYS	1	0.889	0.932	22.029	0.085	0.085	0.000	0.000	0.000	0.000
257	257	VAL	0	0.039	0.024	21.251	0.009	0.009	0.000	0.000	0.000	0.000
258	258	ASP	-1	-0.860	-0.918	21.781	-0.176	-0.176	0.000	0.000	0.000	0.000
259	259	TRP	0	-0.030	-0.005	24.627	0.011	0.011	0.000	0.000	0.000	0.000
260	260	LEU	0	-0.025	-0.032	27.183	0.007	0.007	0.000	0.000	0.000	0.000
261	261	THR	0	-0.007	-0.023	26.112	0.003	0.003	0.000	0.000	0.000	0.000
262	262	GLU	-1	-0.946	-0.965	28.739	-0.090	-0.090	0.000	0.000	0.000	0.000
263	263	LYS	1	0.863	0.932	31.401	0.075	0.075	0.000	0.000	0.000	0.000
264	264	MET	0	0.001	0.005	31.636	0.006	0.006	0.000	0.000	0.000	0.000
265	265	HIS	0	0.041	0.034	33.173	0.001	0.001	0.000	0.000	0.000	0.000
266	266	ALA	0	-0.049	-0.027	34.859	0.004	0.004	0.000	0.000	0.000	0.000
267	267	ARG	1	0.823	0.909	37.228	0.055	0.055	0.000	0.000	0.000	0.000
268	268	ASP	-1	-0.916	-0.948	38.372	-0.054	-0.054	0.000	0.000	0.000	0.000
269	269	PHE	0	-0.016	-0.012	35.339	0.001	0.001	0.000	0.000	0.000	0.000
270	270	THR	0	-0.038	-0.017	34.862	-0.003	-0.003	0.000	0.000	0.000	0.000
271	271	VAL	0	-0.060	-0.028	29.932	-0.003	-0.003	0.000	0.000	0.000	0.000
272	272	SER	0	0.009	0.013	26.993	-0.008	-0.008	0.000	0.000	0.000	0.000
273	273	ALA	0	0.035	-0.005	24.482	0.006	0.006	0.000	0.000	0.000	0.000
274	274	MET	0	-0.021	-0.003	18.835	-0.004	-0.004	0.000	0.000	0.000	0.000
275	275	HIS	0	0.064	0.024	17.694	-0.017	-0.017	0.000	0.000	0.000	0.000
276	276	GLY	0	-0.006	-0.031	13.392	-0.011	-0.011	0.000	0.000	0.000	0.000
277	277	ASP	-1	-1.012	-0.994	12.855	-0.466	-0.466	0.000	0.000	0.000	0.000
278	278	MET	0	-0.043	0.013	15.309	0.006	0.006	0.000	0.000	0.000	0.000
279	279	ASP	-1	-0.874	-0.925	16.074	-0.344	-0.344	0.000	0.000	0.000	0.000
280	280	GLN	0	-0.056	-0.043	13.370	-0.043	-0.043	0.000	0.000	0.000	0.000
281	281	LYS	1	0.902	0.939	15.972	0.231	0.231	0.000	0.000	0.000	0.000
282	282	GLU	-1	-0.904	-0.950	19.297	-0.183	-0.183	0.000	0.000	0.000	0.000
283	283	ARG	1	0.807	0.858	12.074	0.538	0.538	0.000	0.000	0.000	0.000
284	284	ASP	-1	-0.934	-0.959	18.402	-0.211	-0.211	0.000	0.000	0.000	0.000
285	285	VAL	0	-0.045	-0.039	19.721	0.024	0.024	0.000	0.000	0.000	0.000
286	286	ILE	0	0.017	0.010	22.268	0.018	0.018	0.000	0.000	0.000	0.000
287	287	MET	0	0.017	0.023	20.305	0.019	0.019	0.000	0.000	0.000	0.000
288	288	ARG	1	0.809	0.907	22.845	0.154	0.154	0.000	0.000	0.000	0.000
289	289	GLU	-1	-0.836	-0.922	25.078	-0.107	-0.107	0.000	0.000	0.000	0.000
290	290	PHE	0	0.047	0.031	25.567	0.009	0.009	0.000	0.000	0.000	0.000
291	291	ARG	1	0.876	0.927	23.952	0.122	0.122	0.000	0.000	0.000	0.000
292	292	SER	0	-0.059	-0.027	27.076	0.007	0.007	0.000	0.000	0.000	0.000
293	293	GLY	0	-0.009	-0.007	30.143	0.006	0.006	0.000	0.000	0.000	0.000
294	294	SER	0	-0.070	-0.012	31.584	0.007	0.007	0.000	0.000	0.000	0.000
295	295	SER	0	0.027	0.010	28.918	0.005	0.005	0.000	0.000	0.000	0.000
296	296	ARG	1	0.863	0.944	31.366	0.062	0.062	0.000	0.000	0.000	0.000
297	297	VAL	0	0.053	0.015	30.730	0.001	0.001	0.000	0.000	0.000	0.000
298	298	LEU	0	-0.022	0.002	23.472	-0.005	-0.005	0.000	0.000	0.000	0.000
299	299	ILE	0	0.018	0.013	24.598	0.004	0.004	0.000	0.000	0.000	0.000
300	300	THR	0	-0.053	-0.035	20.297	-0.017	-0.017	0.000	0.000	0.000	0.000
301	301	THR	0	0.054	-0.002	16.464	0.021	0.021	0.000	0.000	0.000	0.000
302	302	ASP	-1	-0.799	-0.905	16.073	-0.114	-0.114	0.000	0.000	0.000	0.000
303	303	LEU	0	-0.027	0.004	13.676	-0.009	-0.009	0.000	0.000	0.000	0.000
304	304	LEU	0	0.034	0.002	15.777	0.003	0.003	0.000	0.000	0.000	0.000
305	305	ALA	0	-0.014	0.010	17.739	0.023	0.023	0.000	0.000	0.000	0.000
306	306	ARG	1	0.768	0.845	15.229	0.048	0.048	0.000	0.000	0.000	0.000
307	307	GLY	0	0.029	0.013	17.588	-0.021	-0.021	0.000	0.000	0.000	0.000
308	308	ILE	0	-0.040	-0.016	16.517	0.009	0.009	0.000	0.000	0.000	0.000
309	309	ASP	-1	-0.831	-0.906	20.187	-0.065	-0.065	0.000	0.000	0.000	0.000
310	310	VAL	0	0.007	-0.019	23.565	-0.013	-0.013	0.000	0.000	0.000	0.000
311	311	GLN	0	0.021	0.012	26.137	0.001	0.001	0.000	0.000	0.000	0.000
312	312	GLN	0	0.009	0.000	29.591	0.005	0.005	0.000	0.000	0.000	0.000
313	313	VAL	0	0.001	0.026	27.397	0.004	0.004	0.000	0.000	0.000	0.000
314	314	SER	0	-0.017	-0.003	30.569	0.004	0.004	0.000	0.000	0.000	0.000
315	315	LEU	0	0.026	0.014	32.383	0.003	0.003	0.000	0.000	0.000	0.000
316	316	VAL	0	0.016	0.005	26.814	-0.007	-0.007	0.000	0.000	0.000	0.000
317	317	ILE	0	0.012	0.004	28.797	0.007	0.007	0.000	0.000	0.000	0.000
318	318	ASN	0	-0.004	-0.007	25.669	-0.016	-0.016	0.000	0.000	0.000	0.000
319	319	TYR	0	0.072	0.027	27.480	0.007	0.007	0.000	0.000	0.000	0.000
320	320	ASP	-1	-0.793	-0.865	24.476	-0.074	-0.074	0.000	0.000	0.000	0.000
321	321	LEU	0	0.039	0.017	25.434	-0.004	-0.004	0.000	0.000	0.000	0.000
322	322	PRO	0	-0.038	0.016	21.757	-0.001	-0.001	0.000	0.000	0.000	0.000
323	323	THR	0	0.068	0.010	21.169	0.004	0.004	0.000	0.000	0.000	0.000
324	324	ASN	0	-0.015	-0.005	17.285	0.018	0.018	0.000	0.000	0.000	0.000
325	325	ARG	1	0.955	0.975	21.020	-0.014	-0.014	0.000	0.000	0.000	0.000
326	326	GLU	-1	-0.876	-0.931	19.609	0.029	0.029	0.000	0.000	0.000	0.000
327	327	ASN	0	-0.068	-0.058	17.860	-0.002	-0.002	0.000	0.000	0.000	0.000
328	328	TYR	0	0.021	0.006	20.404	-0.013	-0.013	0.000	0.000	0.000	0.000
329	329	ILE	0	0.017	0.013	23.774	-0.006	-0.006	0.000	0.000	0.000	0.000
330	330	HIS	0	-0.059	-0.031	20.251	-0.011	-0.011	0.000	0.000	0.000	0.000
331	331	ARG	1	0.822	0.875	20.163	0.083	0.083	0.000	0.000	0.000	0.000
332	332	ILE	0	-0.002	-0.001	23.202	-0.004	-0.004	0.000	0.000	0.000	0.000
333	333	GLY	0	0.010	0.019	25.453	0.001	0.001	0.000	0.000	0.000	0.000
334	334	ARG	1	0.766	0.882	21.170	0.095	0.095	0.000	0.000	0.000	0.000
335	335	GLY	0	0.019	0.007	25.163	-0.004	-0.004	0.000	0.000	0.000	0.000
336	336	GLY	0	-0.007	-0.010	29.015	0.003	0.003	0.000	0.000	0.000	0.000
337	337	ARG	1	0.756	0.897	24.867	0.072	0.072	0.000	0.000	0.000	0.000
338	338	PHE	0	-0.014	-0.028	30.523	0.003	0.003	0.000	0.000	0.000	0.000
339	339	GLY	0	0.011	0.015	32.707	0.003	0.003	0.000	0.000	0.000	0.000
340	340	ARG	1	0.834	0.920	34.547	0.050	0.050	0.000	0.000	0.000	0.000
341	341	LYS	1	0.934	0.956	34.743	0.025	0.025	0.000	0.000	0.000	0.000
342	342	GLY	0	0.075	0.040	33.210	-0.001	-0.001	0.000	0.000	0.000	0.000
343	343	VAL	0	-0.040	-0.007	33.865	0.004	0.004	0.000	0.000	0.000	0.000
344	344	ALA	0	0.002	0.000	30.086	-0.005	-0.005	0.000	0.000	0.000	0.000
345	345	ILE	0	0.018	0.010	31.624	0.005	0.005	0.000	0.000	0.000	0.000
346	346	ASN	0	-0.005	-0.007	29.764	-0.008	-0.008	0.000	0.000	0.000	0.000
347	347	MET	0	-0.001	0.000	31.235	0.001	0.001	0.000	0.000	0.000	0.000
348	348	VAL	0	-0.034	-0.013	32.051	-0.001	-0.001	0.000	0.000	0.000	0.000
349	349	THR	0	-0.018	-0.032	32.996	0.002	0.002	0.000	0.000	0.000	0.000
350	350	GLU	-1	-0.847	-0.928	35.489	-0.009	-0.009	0.000	0.000	0.000	0.000
351	351	GLU	-1	-0.931	-0.957	32.748	-0.009	-0.009	0.000	0.000	0.000	0.000
352	352	ASP	-1	-0.855	-0.888	30.223	-0.033	-0.033	0.000	0.000	0.000	0.000
353	353	LYS	1	0.829	0.892	32.081	0.015	0.015	0.000	0.000	0.000	0.000
354	354	ARG	1	0.840	0.907	31.215	-0.004	-0.004	0.000	0.000	0.000	0.000
355	355	THR	0	0.048	0.019	26.783	0.003	0.003	0.000	0.000	0.000	0.000
356	356	LEU	0	0.031	0.027	29.515	0.001	0.001	0.000	0.000	0.000	0.000
357	357	ARG	1	0.978	0.989	31.909	0.007	0.007	0.000	0.000	0.000	0.000
358	358	ASP	-1	-0.859	-0.903	28.407	0.011	0.011	0.000	0.000	0.000	0.000
359	359	ILE	0	-0.008	0.001	26.890	0.004	0.004	0.000	0.000	0.000	0.000
360	360	GLU	-1	-0.846	-0.919	29.262	-0.005	-0.005	0.000	0.000	0.000	0.000
361	361	THR	0	-0.076	-0.059	31.458	0.003	0.003	0.000	0.000	0.000	0.000
362	362	PHE	0	-0.081	-0.037	24.496	0.006	0.006	0.000	0.000	0.000	0.000
363	363	TYR	0	-0.014	-0.048	24.959	0.003	0.003	0.000	0.000	0.000	0.000
364	364	ASN	0	-0.065	-0.027	31.172	0.001	0.001	0.000	0.000	0.000	0.000
365	365	THR	0	0.043	0.022	34.288	0.000	0.000	0.000	0.000	0.000	0.000
366	366	SER	0	-0.050	-0.031	34.619	-0.001	-0.001	0.000	0.000	0.000	0.000
367	367	ILE	0	-0.033	-0.002	31.730	-0.001	-0.001	0.000	0.000	0.000	0.000
368	368	GLU	-1	-0.928	-0.960	36.386	-0.013	-0.013	0.000	0.000	0.000	0.000
369	369	GLU	-1	-0.961	-0.985	38.429	-0.019	-0.019	0.000	0.000	0.000	0.000
370	370	MET	0	-0.055	-0.025	38.483	-0.001	-0.001	0.000	0.000	0.000	0.000
371	371	PRO	0	-0.015	-0.007	40.394	0.001	0.001	0.000	0.000	0.000	0.000
372	372	LEU	0	0.027	0.012	43.081	-0.001	-0.001	0.000	0.000	0.000	0.000
373	373	ASN	0	-0.068	-0.047	45.521	-0.001	-0.001	0.000	0.000	0.000	0.000
374	374	VAL	0	0.022	0.010	39.272	0.000	0.000	0.000	0.000	0.000	0.000
375	375	ALA	0	0.022	-0.002	41.568	-0.001	-0.001	0.000	0.000	0.000	0.000
376	376	ASP	-1	-0.863	-0.919	42.759	-0.028	-0.028	0.000	0.000	0.000	0.000
377	377	LEU	0	-0.158	-0.083	40.956	0.001	0.001	0.000	0.000	0.000	0.000
378	378	ILE	-1	-0.872	-0.902	37.377	-0.040	-0.040	0.000	0.000	0.000	0.000
379	379	A	-1	-0.518	-0.635	11.036	0.255	0.255	0.000	0.000	0.000	0.000
380	379	A	0	-0.314	-0.263	15.211	-0.001	-0.001	0.000	0.000	0.000	0.000
381	380	G	-1	-0.545	-0.626	13.368	0.075	0.075	0.000	0.000	0.000	0.000
382	380	G	0	-0.362	-0.314	15.055	-0.001	-0.001	0.000	0.000	0.000	0.000
383	381	A	-1	-0.581	-0.671	15.112	-0.061	-0.061	0.000	0.000	0.000	0.000
384	381	A	0	-0.392	-0.315	16.692	-0.008	-0.008	0.000	0.000	0.000	0.000
385	382	G	-1	-0.548	-0.674	15.389	-0.186	-0.186	0.000	0.000	0.000	0.000
386	382	G	0	-0.337	-0.290	13.305	0.049	0.049	0.000	0.000	0.000	0.000
387	383	A	-1	-0.422	-0.559	11.486	-0.333	-0.333	0.000	0.000	0.000	0.000
388	383	A	0	-0.347	-0.302	9.712	-0.015	-0.015	0.000	0.000	0.000	0.000
389	384	G	-1	-0.489	-0.578	7.615	-0.612	-0.612	0.000	0.000	0.000	0.000
390	384	G	0	-0.379	-0.325	5.459	-0.311	-0.311	0.000	0.000	0.000	0.000
395	387	A	-1	-0.617	-0.688	6.234	-0.602	-0.602	0.000	0.000	0.000	0.000
396	387	A	0	-0.335	-0.293	6.521	0.070	0.070	0.000	0.000	0.000	0.000
397	388	G	0	0.319	0.249	9.150	0.001	0.001	0.000	0.000	0.000	0.000
398	388	G	0	-0.389	-0.292	6.685	-0.323	-0.323	0.000	0.000	0.000	0.000

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