FMO DATABASE

FMODB ID: N9KGQ

Calculation Name: 6XKI-A-MD433-79ns

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	-7635302.623119
FMO2-HF: Nuclear repulsion	7466098.121392
FMO2-HF: Total energy	-169204.501728
FMO2-MP2: Total energy	-169682.203503

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.
-280.088616	-236.714666	49.658823	-17.704735	-75.328038	0.077182

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.
-51.524	-20.498	40.628	-13.514	-58.139	-0.072

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 : -0.093 / 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	0.037	0.004	3.246	-1.142	-0.123	0.743	-0.372	-1.390	0.000
132	132	GLY	0	0.042	0.022	2.206	-1.446	-0.316	8.133	-4.337	-4.926	-0.005
133	133	ARG	1	0.816	0.855	2.465	1.353	-2.343	1.731	4.492	-2.527	-0.020
134	134	VAL	0	0.045	0.014	4.864	-0.377	-0.190	-0.001	-0.009	-0.176	0.000
135	135	PHE	0	0.008	0.003	2.161	-9.355	-1.693	8.441	-3.404	-12.699	0.008
136	136	ASP	-1	-0.782	-0.858	2.313	-7.155	-4.202	1.888	-1.922	-2.920	-0.008
137	137	MET	0	-0.024	-0.009	3.223	1.907	1.321	0.062	0.913	-0.388	0.000
139	139	ASN	0	-0.033	-0.014	2.595	-0.717	0.487	1.531	-0.605	-2.130	-0.003
140	140	ARG	1	0.775	0.867	4.825	1.671	1.802	-0.001	-0.004	-0.125	0.000
166	166	ASP	-1	-0.875	-0.932	4.680	-0.041	0.020	-0.001	-0.007	-0.053	0.000
167	167	GLN	0	-0.024	-0.012	2.544	-8.007	-3.290	5.917	-2.888	-7.746	-0.002
168	168	ILE	0	0.008	-0.006	3.037	-2.898	-2.122	0.232	0.417	-1.426	-0.005
170	170	ASP	-1	-0.874	-0.935	2.354	-3.038	-1.383	1.943	-1.282	-2.316	-0.008
171	171	ILE	0	-0.064	-0.027	2.411	-0.672	0.896	0.739	-0.381	-1.926	-0.002
172	172	PHE	0	-0.009	-0.013	4.681	0.486	0.520	-0.001	-0.013	-0.021	0.000
174	174	LYS	1	0.807	0.899	4.405	-2.984	-2.813	-0.001	-0.005	-0.165	0.000
391	385	A	-1	-0.465	-0.583	2.504	-4.479	-2.009	0.613	-1.081	-2.002	-0.007
392	385	A	0	-0.313	-0.288	3.354	-2.509	-1.359	0.085	-0.435	-0.799	-0.003
393	386	G	-1	-0.559	-0.654	2.598	-1.882	-0.617	1.005	-0.535	-1.735	0.002
394	386	G	0	-0.365	-0.316	2.772	-8.619	-1.464	7.570	-2.056	-12.669	-0.019
1	1	GLU	0	-0.131	-0.080	33.079	0.001	0.001	0.000	0.000	0.000	0.000
2	2	ILE	0	0.054	0.021	35.048	-0.001	-0.001	0.000	0.000	0.000	0.000
3	3	VAL	0	0.004	0.006	35.286	0.003	0.003	0.000	0.000	0.000	0.000
4	4	ASP	-1	-0.869	-0.920	35.764	-0.050	-0.050	0.000	0.000	0.000	0.000
5	5	SER	0	0.005	-0.018	37.111	-0.005	-0.005	0.000	0.000	0.000	0.000
6	6	PHE	0	0.001	-0.036	30.440	0.001	0.001	0.000	0.000	0.000	0.000
7	7	ASP	-1	-0.958	-0.967	35.440	-0.045	-0.045	0.000	0.000	0.000	0.000
8	8	ASP	-1	-0.828	-0.902	38.827	-0.035	-0.035	0.000	0.000	0.000	0.000
9	9	MET	0	-0.172	-0.083	32.548	0.002	0.002	0.000	0.000	0.000	0.000
10	10	ASN	0	-0.045	-0.020	34.268	0.000	0.000	0.000	0.000	0.000	0.000
11	11	LEU	0	0.016	0.015	31.070	0.001	0.001	0.000	0.000	0.000	0.000
12	12	SER	0	0.003	-0.004	32.859	0.003	0.003	0.000	0.000	0.000	0.000
13	13	GLU	-1	-0.808	-0.904	34.727	-0.063	-0.063	0.000	0.000	0.000	0.000
14	14	SER	0	0.047	0.017	34.104	-0.003	-0.003	0.000	0.000	0.000	0.000
15	15	LEU	0	0.008	0.002	28.639	-0.007	-0.007	0.000	0.000	0.000	0.000
16	16	LEU	0	-0.007	-0.001	32.274	-0.008	-0.008	0.000	0.000	0.000	0.000
17	17	ARG	1	0.812	0.913	34.902	0.063	0.063	0.000	0.000	0.000	0.000
18	18	GLY	0	0.048	0.024	32.153	-0.003	-0.003	0.000	0.000	0.000	0.000
19	19	ILE	0	-0.029	-0.017	30.744	-0.008	-0.008	0.000	0.000	0.000	0.000
20	20	TYR	0	-0.012	-0.015	32.801	-0.003	-0.003	0.000	0.000	0.000	0.000
21	21	ALA	0	-0.036	-0.008	34.841	-0.001	-0.001	0.000	0.000	0.000	0.000
22	22	TYR	0	-0.050	-0.032	26.874	-0.007	-0.007	0.000	0.000	0.000	0.000
23	23	GLY	0	-0.002	0.010	32.856	-0.005	-0.005	0.000	0.000	0.000	0.000
24	24	PHE	0	-0.077	-0.039	29.301	-0.003	-0.003	0.000	0.000	0.000	0.000
25	25	GLU	-1	-0.803	-0.875	32.991	-0.078	-0.078	0.000	0.000	0.000	0.000
26	26	LYS	1	0.846	0.889	33.692	0.075	0.075	0.000	0.000	0.000	0.000
27	27	PRO	0	-0.004	0.006	32.599	-0.004	-0.004	0.000	0.000	0.000	0.000
28	28	SER	0	0.041	0.034	31.168	0.005	0.005	0.000	0.000	0.000	0.000
29	29	ALA	0	0.032	0.003	32.445	0.002	0.002	0.000	0.000	0.000	0.000
30	30	ILE	0	-0.016	-0.001	26.581	0.006	0.006	0.000	0.000	0.000	0.000
31	31	GLN	0	0.010	-0.018	26.760	0.013	0.013	0.000	0.000	0.000	0.000
32	32	GLN	0	-0.010	-0.005	29.708	0.008	0.008	0.000	0.000	0.000	0.000
33	33	ARG	1	0.924	0.962	30.936	0.035	0.035	0.000	0.000	0.000	0.000
34	34	ALA	0	0.007	0.006	26.031	0.006	0.006	0.000	0.000	0.000	0.000
35	35	ILE	0	0.059	0.040	26.687	0.001	0.001	0.000	0.000	0.000	0.000
36	36	LEU	0	0.030	0.013	27.423	0.003	0.003	0.000	0.000	0.000	0.000
37	37	PRO	0	-0.035	-0.024	26.775	0.006	0.006	0.000	0.000	0.000	0.000
38	38	CYS	0	-0.029	-0.007	23.306	0.004	0.004	0.000	0.000	0.000	0.000
39	39	ILE	0	0.034	0.025	24.181	0.003	0.003	0.000	0.000	0.000	0.000
40	40	LYS	1	0.893	0.948	26.774	0.019	0.019	0.000	0.000	0.000	0.000
41	41	GLY	0	0.025	0.030	23.462	0.010	0.010	0.000	0.000	0.000	0.000
42	42	TYR	0	-0.038	-0.022	22.694	0.009	0.009	0.000	0.000	0.000	0.000
43	43	ASP	-1	-0.698	-0.818	19.058	0.029	0.029	0.000	0.000	0.000	0.000
44	44	VAL	0	-0.038	-0.026	20.031	0.003	0.003	0.000	0.000	0.000	0.000
45	45	ILE	0	0.009	0.011	19.320	-0.011	-0.011	0.000	0.000	0.000	0.000
46	46	ALA	0	0.034	0.003	21.435	0.008	0.008	0.000	0.000	0.000	0.000
47	47	GLN	0	-0.008	0.007	22.786	-0.004	-0.004	0.000	0.000	0.000	0.000
48	48	ALA	0	-0.011	-0.019	23.646	0.003	0.003	0.000	0.000	0.000	0.000
49	49	GLN	0	0.030	0.003	24.325	-0.016	-0.016	0.000	0.000	0.000	0.000
50	50	SER	0	0.032	0.019	25.327	-0.009	-0.009	0.000	0.000	0.000	0.000
51	51	GLY	0	0.016	0.012	26.261	0.007	0.007	0.000	0.000	0.000	0.000
52	52	THR	0	-0.042	-0.023	27.358	0.008	0.008	0.000	0.000	0.000	0.000
53	53	GLY	0	0.058	0.031	26.692	0.006	0.006	0.000	0.000	0.000	0.000
54	54	LYS	1	0.824	0.917	19.332	0.222	0.222	0.000	0.000	0.000	0.000
55	55	THR	0	0.050	0.022	20.111	-0.004	-0.004	0.000	0.000	0.000	0.000
56	56	ALA	0	0.055	0.023	22.212	0.003	0.003	0.000	0.000	0.000	0.000
57	57	THR	0	-0.016	-0.016	23.926	0.013	0.013	0.000	0.000	0.000	0.000
58	58	PHE	0	0.028	0.014	17.623	0.014	0.014	0.000	0.000	0.000	0.000
59	59	ALA	0	0.005	0.011	22.106	0.006	0.006	0.000	0.000	0.000	0.000
60	60	ILE	0	0.019	0.006	22.920	0.008	0.008	0.000	0.000	0.000	0.000
61	61	SER	0	-0.039	-0.034	23.087	0.013	0.013	0.000	0.000	0.000	0.000
62	62	ILE	0	-0.003	0.002	18.495	0.012	0.012	0.000	0.000	0.000	0.000
63	63	LEU	0	0.001	0.001	22.701	0.011	0.011	0.000	0.000	0.000	0.000
64	64	GLN	0	0.022	0.014	25.562	0.001	0.001	0.000	0.000	0.000	0.000
65	65	GLN	0	-0.084	-0.055	23.378	0.020	0.020	0.000	0.000	0.000	0.000
66	66	ILE	0	-0.083	-0.024	21.080	0.006	0.006	0.000	0.000	0.000	0.000
67	67	GLU	-1	-0.898	-0.936	24.912	-0.013	-0.013	0.000	0.000	0.000	0.000
68	68	LEU	0	0.016	-0.006	25.493	-0.010	-0.010	0.000	0.000	0.000	0.000
69	69	ASP	-1	-0.897	-0.948	27.200	-0.046	-0.046	0.000	0.000	0.000	0.000
70	70	LEU	0	-0.082	-0.024	21.989	0.007	0.007	0.000	0.000	0.000	0.000
71	71	LYS	1	0.945	0.969	22.839	0.071	0.071	0.000	0.000	0.000	0.000
72	72	ALA	0	0.004	-0.017	18.201	0.003	0.003	0.000	0.000	0.000	0.000
73	73	THR	0	-0.023	-0.009	15.049	-0.005	-0.005	0.000	0.000	0.000	0.000
74	74	GLN	0	-0.022	-0.023	17.341	0.035	0.035	0.000	0.000	0.000	0.000
75	75	ALA	0	-0.030	-0.009	16.757	0.023	0.023	0.000	0.000	0.000	0.000
76	76	LEU	0	-0.009	0.000	9.054	-0.028	-0.028	0.000	0.000	0.000	0.000
77	77	VAL	0	-0.009	-0.008	13.294	0.029	0.029	0.000	0.000	0.000	0.000
78	78	LEU	0	-0.017	-0.013	7.139	-0.055	-0.055	0.000	0.000	0.000	0.000
79	79	ALA	0	0.040	0.017	10.319	0.060	0.060	0.000	0.000	0.000	0.000
80	80	PRO	0	0.040	0.013	8.611	-0.089	-0.089	0.000	0.000	0.000	0.000
81	81	THR	0	-0.014	0.001	8.660	-0.203	-0.203	0.000	0.000	0.000	0.000
82	82	ARG	1	0.864	0.901	7.305	1.687	1.687	0.000	0.000	0.000	0.000
83	83	GLU	-1	-0.740	-0.858	11.523	-0.613	-0.613	0.000	0.000	0.000	0.000
84	84	LEU	0	0.001	0.011	13.799	0.057	0.057	0.000	0.000	0.000	0.000
85	85	ALA	0	0.003	-0.006	11.824	0.052	0.052	0.000	0.000	0.000	0.000
86	86	GLN	0	-0.038	-0.031	13.955	0.023	0.023	0.000	0.000	0.000	0.000
87	87	GLN	0	-0.018	-0.002	16.484	0.055	0.055	0.000	0.000	0.000	0.000
88	88	ILE	0	0.039	0.020	15.448	0.035	0.035	0.000	0.000	0.000	0.000
89	89	GLN	0	0.054	0.030	18.074	0.002	0.002	0.000	0.000	0.000	0.000
90	90	LYS	1	0.929	0.966	19.819	0.226	0.226	0.000	0.000	0.000	0.000
91	91	VAL	0	0.020	0.012	22.332	0.019	0.019	0.000	0.000	0.000	0.000
92	92	VAL	0	0.011	-0.001	19.624	0.019	0.019	0.000	0.000	0.000	0.000
93	93	MET	0	-0.015	-0.019	22.538	0.008	0.008	0.000	0.000	0.000	0.000
94	94	ALA	0	-0.062	-0.019	25.079	0.013	0.013	0.000	0.000	0.000	0.000
95	95	LEU	0	-0.023	0.000	25.565	0.012	0.012	0.000	0.000	0.000	0.000
96	96	GLY	0	0.009	-0.018	26.675	0.011	0.011	0.000	0.000	0.000	0.000
97	97	ASP	-1	-0.953	-0.962	27.658	-0.115	-0.115	0.000	0.000	0.000	0.000
98	98	TYR	0	0.030	-0.005	30.180	0.004	0.004	0.000	0.000	0.000	0.000
99	99	MET	0	-0.060	-0.029	29.312	0.004	0.004	0.000	0.000	0.000	0.000
100	100	GLY	0	0.032	0.034	29.726	0.007	0.007	0.000	0.000	0.000	0.000
101	101	ALA	0	-0.051	-0.016	24.816	-0.001	-0.001	0.000	0.000	0.000	0.000
102	102	SER	0	-0.056	-0.046	22.808	-0.014	-0.014	0.000	0.000	0.000	0.000
103	103	CYS	0	-0.093	-0.059	18.520	-0.007	-0.007	0.000	0.000	0.000	0.000
104	104	HIS	0	-0.005	-0.005	13.682	0.057	0.057	0.000	0.000	0.000	0.000
105	105	ALA	0	0.046	0.031	14.166	0.002	0.002	0.000	0.000	0.000	0.000
106	106	CYS	0	-0.068	-0.016	9.443	-0.007	-0.007	0.000	0.000	0.000	0.000
107	107	ILE	0	0.020	0.009	9.316	-0.055	-0.055	0.000	0.000	0.000	0.000
108	108	GLY	0	0.025	0.024	7.522	0.020	0.020	0.000	0.000	0.000	0.000
109	109	GLY	0	0.014	0.001	8.100	0.097	0.097	0.000	0.000	0.000	0.000
110	110	THR	0	-0.034	-0.012	10.725	0.140	0.140	0.000	0.000	0.000	0.000
111	111	ASN	0	0.007	-0.010	11.481	-0.082	-0.082	0.000	0.000	0.000	0.000
112	112	VAL	0	0.095	0.048	7.867	0.056	0.056	0.000	0.000	0.000	0.000
113	113	ARG	1	0.848	0.919	11.245	0.577	0.577	0.000	0.000	0.000	0.000
114	114	ALA	0	0.008	-0.006	13.776	0.040	0.040	0.000	0.000	0.000	0.000
115	115	GLU	-1	-0.753	-0.845	10.613	-0.748	-0.748	0.000	0.000	0.000	0.000
116	116	VAL	0	0.020	-0.004	10.188	0.039	0.039	0.000	0.000	0.000	0.000
117	117	GLN	0	-0.031	-0.016	13.215	0.070	0.070	0.000	0.000	0.000	0.000
118	118	LYS	1	0.889	0.948	16.828	0.365	0.365	0.000	0.000	0.000	0.000
119	119	LEU	0	0.006	-0.006	12.263	0.030	0.030	0.000	0.000	0.000	0.000
120	120	GLN	0	-0.030	-0.009	15.051	0.012	0.012	0.000	0.000	0.000	0.000
121	121	MET	0	-0.056	-0.022	17.560	0.026	0.026	0.000	0.000	0.000	0.000
122	122	GLU	-1	-0.884	-0.922	19.904	-0.165	-0.165	0.000	0.000	0.000	0.000
123	123	ALA	0	-0.053	-0.013	18.523	0.014	0.014	0.000	0.000	0.000	0.000
124	124	PRO	0	0.001	0.010	17.076	0.014	0.014	0.000	0.000	0.000	0.000
125	125	HIS	0	0.086	0.058	18.486	-0.020	-0.020	0.000	0.000	0.000	0.000
126	126	ILE	0	-0.012	-0.006	17.720	0.014	0.014	0.000	0.000	0.000	0.000
127	127	ILE	0	-0.003	0.002	12.340	-0.024	-0.024	0.000	0.000	0.000	0.000
128	128	VAL	0	0.022	0.007	13.453	0.017	0.017	0.000	0.000	0.000	0.000
129	129	GLY	0	0.036	0.002	10.056	-0.038	-0.038	0.000	0.000	0.000	0.000
130	130	THR	0	-0.023	-0.017	6.339	0.105	0.105	0.000	0.000	0.000	0.000
138	138	LEU	0	-0.020	0.000	5.977	0.301	0.301	0.000	0.000	0.000	0.000
141	141	ARG	1	0.878	0.942	7.429	-0.095	-0.095	0.000	0.000	0.000	0.000
142	142	TYR	0	-0.035	-0.030	9.629	0.048	0.048	0.000	0.000	0.000	0.000
143	143	LEU	0	0.017	0.036	8.894	0.035	0.035	0.000	0.000	0.000	0.000
144	144	SER	0	0.032	-0.010	10.321	0.102	0.102	0.000	0.000	0.000	0.000
145	145	PRO	0	0.052	0.022	11.379	-0.047	-0.047	0.000	0.000	0.000	0.000
146	146	LYS	1	0.855	0.943	14.591	-0.149	-0.149	0.000	0.000	0.000	0.000
147	147	TYR	0	-0.003	-0.011	16.559	-0.001	-0.001	0.000	0.000	0.000	0.000
148	148	ILE	0	-0.006	0.014	12.567	-0.017	-0.017	0.000	0.000	0.000	0.000
149	149	LYS	1	0.939	0.972	16.420	0.025	0.025	0.000	0.000	0.000	0.000
150	150	MET	0	-0.022	0.008	16.969	0.004	0.004	0.000	0.000	0.000	0.000
151	151	PHE	0	0.021	0.003	7.921	-0.016	-0.016	0.000	0.000	0.000	0.000
152	152	VAL	0	0.011	0.003	13.794	0.020	0.020	0.000	0.000	0.000	0.000
153	153	LEU	0	0.002	-0.002	9.655	-0.036	-0.036	0.000	0.000	0.000	0.000
154	154	ASP	-1	-0.820	-0.908	13.613	-0.227	-0.227	0.000	0.000	0.000	0.000
155	155	GLU	-1	-0.850	-0.940	13.969	-0.292	-0.292	0.000	0.000	0.000	0.000
156	156	ALA	0	0.006	-0.002	14.015	-0.009	-0.009	0.000	0.000	0.000	0.000
157	157	ASP	-1	-0.765	-0.833	14.176	-0.181	-0.181	0.000	0.000	0.000	0.000
158	158	GLU	-1	-0.883	-0.930	11.863	-0.354	-0.354	0.000	0.000	0.000	0.000
159	159	MET	0	-0.071	-0.011	7.563	-0.020	-0.020	0.000	0.000	0.000	0.000
160	160	LEU	0	-0.018	-0.018	9.903	0.075	0.075	0.000	0.000	0.000	0.000
161	161	SER	0	-0.008	-0.014	11.399	0.016	0.016	0.000	0.000	0.000	0.000
162	162	ARG	1	0.800	0.866	10.706	0.186	0.186	0.000	0.000	0.000	0.000
163	163	GLY	0	0.083	0.060	7.904	0.031	0.031	0.000	0.000	0.000	0.000
164	164	PHE	0	-0.028	-0.022	5.343	0.191	0.191	0.000	0.000	0.000	0.000
165	165	LYS	1	0.846	0.933	6.937	0.226	0.226	0.000	0.000	0.000	0.000
169	169	TYR	0	-0.009	0.003	5.691	-0.140	-0.140	0.000	0.000	0.000	0.000
173	173	GLN	0	0.006	0.018	7.156	0.466	0.466	0.000	0.000	0.000	0.000
175	175	LEU	0	-0.008	0.004	9.609	-0.026	-0.026	0.000	0.000	0.000	0.000
176	176	ASN	0	0.019	0.009	12.011	0.051	0.051	0.000	0.000	0.000	0.000
177	177	SER	0	0.021	0.019	15.706	-0.051	-0.051	0.000	0.000	0.000	0.000
178	178	ASN	0	-0.028	-0.019	17.565	-0.027	-0.027	0.000	0.000	0.000	0.000
179	179	THR	0	-0.053	-0.035	13.748	-0.027	-0.027	0.000	0.000	0.000	0.000
180	180	GLN	0	-0.039	-0.022	16.940	-0.001	-0.001	0.000	0.000	0.000	0.000
181	181	VAL	0	-0.019	-0.016	13.721	-0.021	-0.021	0.000	0.000	0.000	0.000
182	182	VAL	0	-0.028	-0.016	15.935	0.009	0.009	0.000	0.000	0.000	0.000
183	183	LEU	0	0.004	0.007	13.878	-0.023	-0.023	0.000	0.000	0.000	0.000
184	184	LEU	0	0.000	-0.005	17.290	0.014	0.014	0.000	0.000	0.000	0.000
185	185	SER	0	-0.026	-0.044	18.128	-0.027	-0.027	0.000	0.000	0.000	0.000
186	186	ALA	0	0.033	0.030	20.334	0.017	0.017	0.000	0.000	0.000	0.000
187	187	THR	0	-0.008	-0.008	20.195	0.011	0.011	0.000	0.000	0.000	0.000
188	188	MET	0	0.001	-0.014	18.390	-0.013	-0.013	0.000	0.000	0.000	0.000
189	189	PRO	0	0.044	0.034	19.692	0.014	0.014	0.000	0.000	0.000	0.000
190	190	SER	0	-0.010	-0.019	21.363	0.004	0.004	0.000	0.000	0.000	0.000
191	191	ASP	-1	-0.853	-0.916	19.196	-0.018	-0.018	0.000	0.000	0.000	0.000
192	192	VAL	0	-0.008	-0.009	16.186	0.011	0.011	0.000	0.000	0.000	0.000
193	193	LEU	0	-0.011	-0.024	17.720	0.011	0.011	0.000	0.000	0.000	0.000
194	194	GLU	-1	-0.826	-0.894	19.216	0.041	0.041	0.000	0.000	0.000	0.000
195	195	VAL	0	-0.041	-0.013	12.825	0.018	0.018	0.000	0.000	0.000	0.000
196	196	THR	0	-0.035	-0.027	15.272	0.014	0.014	0.000	0.000	0.000	0.000
197	197	LYS	1	0.838	0.906	16.755	-0.021	-0.021	0.000	0.000	0.000	0.000
198	198	LYS	1	0.888	0.961	13.673	-0.200	-0.200	0.000	0.000	0.000	0.000
199	199	PHE	0	-0.030	-0.027	12.040	0.027	0.027	0.000	0.000	0.000	0.000
200	200	MET	0	-0.028	0.014	14.512	-0.003	-0.003	0.000	0.000	0.000	0.000
201	201	ARG	1	0.804	0.872	17.083	-0.063	-0.063	0.000	0.000	0.000	0.000
202	202	ASP	-1	-0.981	-0.984	20.558	0.036	0.036	0.000	0.000	0.000	0.000
203	203	PRO	0	0.017	0.025	19.865	-0.006	-0.006	0.000	0.000	0.000	0.000
204	204	ILE	0	0.009	0.000	22.540	-0.001	-0.001	0.000	0.000	0.000	0.000
205	205	ARG	1	0.943	0.969	23.837	-0.013	-0.013	0.000	0.000	0.000	0.000
206	206	ILE	0	-0.061	-0.033	25.384	0.004	0.004	0.000	0.000	0.000	0.000
207	207	LEU	0	-0.007	-0.003	23.985	-0.007	-0.007	0.000	0.000	0.000	0.000
208	208	VAL	0	-0.002	-0.006	27.385	0.004	0.004	0.000	0.000	0.000	0.000
209	209	LYS	1	0.946	0.979	28.426	0.034	0.034	0.000	0.000	0.000	0.000
210	210	LYS	1	0.931	0.967	28.937	0.061	0.061	0.000	0.000	0.000	0.000
211	211	GLU	-1	-0.906	-0.963	30.140	-0.060	-0.060	0.000	0.000	0.000	0.000
212	212	GLU	-1	-0.953	-0.983	32.569	-0.066	-0.066	0.000	0.000	0.000	0.000
213	213	LEU	0	-0.090	-0.023	26.439	-0.004	-0.004	0.000	0.000	0.000	0.000
214	214	THR	0	0.009	-0.005	29.909	-0.009	-0.009	0.000	0.000	0.000	0.000
215	215	LEU	0	-0.006	0.006	27.737	0.003	0.003	0.000	0.000	0.000	0.000
216	216	GLU	-1	-0.888	-0.940	31.950	-0.086	-0.086	0.000	0.000	0.000	0.000
217	217	GLY	0	-0.077	-0.041	34.255	0.003	0.003	0.000	0.000	0.000	0.000
218	218	ILE	0	-0.013	-0.015	30.013	-0.005	-0.005	0.000	0.000	0.000	0.000
219	219	ARG	1	0.908	0.967	34.293	0.100	0.100	0.000	0.000	0.000	0.000
220	220	GLN	0	0.066	0.042	32.171	-0.008	-0.008	0.000	0.000	0.000	0.000
221	221	PHE	0	0.040	0.014	34.701	0.006	0.006	0.000	0.000	0.000	0.000
222	222	TYR	0	-0.043	-0.023	34.560	-0.009	-0.009	0.000	0.000	0.000	0.000
223	223	ILE	0	0.079	0.037	35.865	0.006	0.006	0.000	0.000	0.000	0.000
224	224	ASN	0	-0.039	-0.023	36.227	-0.008	-0.008	0.000	0.000	0.000	0.000
225	225	VAL	0	0.032	0.013	33.737	0.003	0.003	0.000	0.000	0.000	0.000
226	226	GLU	-1	-0.964	-0.963	37.092	-0.077	-0.077	0.000	0.000	0.000	0.000
227	227	ARG	1	0.953	0.954	35.227	0.096	0.096	0.000	0.000	0.000	0.000
228	228	GLU	-1	-0.749	-0.863	29.014	-0.174	-0.174	0.000	0.000	0.000	0.000
229	229	GLU	-1	-0.959	-0.989	32.514	-0.122	-0.122	0.000	0.000	0.000	0.000
230	230	TRP	0	-0.010	-0.003	34.928	0.003	0.003	0.000	0.000	0.000	0.000
231	231	LYS	1	0.848	0.937	28.378	0.166	0.166	0.000	0.000	0.000	0.000
232	232	LEU	0	-0.001	0.003	33.083	-0.002	-0.002	0.000	0.000	0.000	0.000
233	233	ASP	-1	-0.843	-0.927	34.567	-0.115	-0.115	0.000	0.000	0.000	0.000
234	234	THR	0	0.000	-0.001	36.188	0.005	0.005	0.000	0.000	0.000	0.000
235	235	LEU	0	-0.033	-0.024	31.648	0.001	0.001	0.000	0.000	0.000	0.000
236	236	CYS	0	-0.074	-0.048	35.701	-0.002	-0.002	0.000	0.000	0.000	0.000
237	237	ASP	-1	-0.883	-0.923	38.430	-0.099	-0.099	0.000	0.000	0.000	0.000
238	238	LEU	0	-0.016	-0.013	35.294	0.003	0.003	0.000	0.000	0.000	0.000
239	239	TYR	0	0.007	0.008	33.807	-0.005	-0.005	0.000	0.000	0.000	0.000
240	240	GLU	-1	-0.906	-0.929	38.366	-0.099	-0.099	0.000	0.000	0.000	0.000
241	241	THR	0	-0.012	-0.037	37.182	-0.004	-0.004	0.000	0.000	0.000	0.000
242	242	LEU	0	0.011	0.003	32.257	-0.004	-0.004	0.000	0.000	0.000	0.000
243	243	THR	0	-0.086	-0.047	35.800	-0.006	-0.006	0.000	0.000	0.000	0.000
244	244	ILE	0	-0.020	0.006	38.605	-0.001	-0.001	0.000	0.000	0.000	0.000
245	245	THR	0	-0.008	0.000	34.273	-0.003	-0.003	0.000	0.000	0.000	0.000
246	246	GLN	0	-0.052	-0.029	29.412	-0.003	-0.003	0.000	0.000	0.000	0.000
247	247	ALA	0	0.000	-0.011	30.725	0.004	0.004	0.000	0.000	0.000	0.000
248	248	VAL	0	-0.026	-0.017	24.021	-0.011	-0.011	0.000	0.000	0.000	0.000
249	249	ILE	0	-0.011	-0.005	26.303	0.012	0.012	0.000	0.000	0.000	0.000
250	250	PHE	0	0.025	0.009	20.253	-0.018	-0.018	0.000	0.000	0.000	0.000
251	251	ILE	0	-0.048	-0.026	21.915	0.025	0.025	0.000	0.000	0.000	0.000
252	252	ASN	0	0.027	-0.007	20.323	-0.036	-0.036	0.000	0.000	0.000	0.000
253	253	THR	0	-0.004	0.003	18.725	-0.014	-0.014	0.000	0.000	0.000	0.000
254	254	ARG	1	0.953	0.951	12.450	0.692	0.692	0.000	0.000	0.000	0.000
255	255	ARG	1	0.970	0.989	18.633	0.270	0.270	0.000	0.000	0.000	0.000
256	256	LYS	1	0.802	0.864	21.417	0.221	0.221	0.000	0.000	0.000	0.000
257	257	VAL	0	0.046	0.026	20.631	0.021	0.021	0.000	0.000	0.000	0.000
258	258	ASP	-1	-0.843	-0.890	21.381	-0.358	-0.358	0.000	0.000	0.000	0.000
259	259	TRP	0	-0.025	-0.014	24.336	0.023	0.023	0.000	0.000	0.000	0.000
260	260	LEU	0	-0.012	-0.017	26.832	0.016	0.016	0.000	0.000	0.000	0.000
261	261	THR	0	-0.003	-0.016	25.813	0.008	0.008	0.000	0.000	0.000	0.000
262	262	GLU	-1	-0.946	-0.971	28.362	-0.191	-0.191	0.000	0.000	0.000	0.000
263	263	LYS	1	0.889	0.950	30.851	0.166	0.166	0.000	0.000	0.000	0.000
264	264	MET	0	-0.008	-0.003	31.844	0.013	0.013	0.000	0.000	0.000	0.000
265	265	HIS	0	-0.020	-0.003	30.587	0.014	0.014	0.000	0.000	0.000	0.000
266	266	ALA	0	-0.050	-0.024	34.318	0.008	0.008	0.000	0.000	0.000	0.000
267	267	ARG	1	0.796	0.889	36.370	0.134	0.134	0.000	0.000	0.000	0.000
268	268	ASP	-1	-0.917	-0.949	37.647	-0.122	-0.122	0.000	0.000	0.000	0.000
269	269	PHE	0	-0.024	-0.012	35.355	0.003	0.003	0.000	0.000	0.000	0.000
270	270	THR	0	-0.033	-0.024	32.532	-0.008	-0.008	0.000	0.000	0.000	0.000
271	271	VAL	0	-0.047	-0.008	29.189	-0.001	-0.001	0.000	0.000	0.000	0.000
272	272	SER	0	0.028	0.011	25.852	-0.012	-0.012	0.000	0.000	0.000	0.000
273	273	ALA	0	0.030	-0.002	23.750	0.008	0.008	0.000	0.000	0.000	0.000
274	274	MET	0	-0.060	-0.007	17.747	-0.029	-0.029	0.000	0.000	0.000	0.000
275	275	HIS	0	0.017	-0.012	16.629	-0.040	-0.040	0.000	0.000	0.000	0.000
276	276	GLY	0	0.010	-0.031	12.447	-0.012	-0.012	0.000	0.000	0.000	0.000
277	277	ASP	-1	-1.021	-0.995	12.431	-0.855	-0.855	0.000	0.000	0.000	0.000
278	278	MET	0	-0.018	0.016	14.608	0.070	0.070	0.000	0.000	0.000	0.000
279	279	ASP	-1	-0.904	-0.953	15.085	-0.575	-0.575	0.000	0.000	0.000	0.000
280	280	GLN	0	-0.033	-0.032	12.716	-0.084	-0.084	0.000	0.000	0.000	0.000
281	281	LYS	1	0.879	0.926	15.381	0.400	0.400	0.000	0.000	0.000	0.000
282	282	GLU	-1	-0.861	-0.932	18.773	-0.323	-0.323	0.000	0.000	0.000	0.000
283	283	ARG	1	0.783	0.855	11.004	0.968	0.968	0.000	0.000	0.000	0.000
284	284	ASP	-1	-0.753	-0.858	18.098	-0.380	-0.380	0.000	0.000	0.000	0.000
285	285	VAL	0	-0.010	-0.013	19.403	0.036	0.036	0.000	0.000	0.000	0.000
286	286	ILE	0	0.053	0.037	20.857	0.028	0.028	0.000	0.000	0.000	0.000
287	287	MET	0	-0.004	0.001	19.342	0.030	0.030	0.000	0.000	0.000	0.000
288	288	ARG	1	0.739	0.859	21.042	0.371	0.371	0.000	0.000	0.000	0.000
289	289	GLU	-1	-0.850	-0.910	24.989	-0.201	-0.201	0.000	0.000	0.000	0.000
290	290	PHE	0	0.000	0.014	24.749	0.013	0.013	0.000	0.000	0.000	0.000
291	291	ARG	1	0.855	0.922	22.639	0.296	0.296	0.000	0.000	0.000	0.000
292	292	SER	0	-0.009	0.008	27.094	0.013	0.013	0.000	0.000	0.000	0.000
293	293	GLY	0	-0.018	-0.003	30.039	0.013	0.013	0.000	0.000	0.000	0.000
294	294	SER	0	-0.106	-0.048	30.878	0.014	0.014	0.000	0.000	0.000	0.000
295	295	SER	0	0.009	0.004	27.821	0.009	0.009	0.000	0.000	0.000	0.000
296	296	ARG	1	0.907	0.937	30.170	0.150	0.150	0.000	0.000	0.000	0.000
297	297	VAL	0	0.032	0.006	29.591	0.002	0.002	0.000	0.000	0.000	0.000
298	298	LEU	0	-0.012	0.009	22.162	-0.006	-0.006	0.000	0.000	0.000	0.000
299	299	ILE	0	0.001	0.006	23.921	0.007	0.007	0.000	0.000	0.000	0.000
300	300	THR	0	-0.012	-0.029	19.204	-0.035	-0.035	0.000	0.000	0.000	0.000
301	301	THR	0	0.033	0.005	15.958	0.035	0.035	0.000	0.000	0.000	0.000
302	302	ASP	-1	-0.790	-0.889	16.018	-0.321	-0.321	0.000	0.000	0.000	0.000
303	303	LEU	0	-0.018	0.005	12.349	-0.011	-0.011	0.000	0.000	0.000	0.000
304	304	LEU	0	-0.005	-0.024	14.870	-0.006	-0.006	0.000	0.000	0.000	0.000
305	305	ALA	0	0.004	0.012	17.450	0.042	0.042	0.000	0.000	0.000	0.000
306	306	ARG	1	0.820	0.870	15.503	0.297	0.297	0.000	0.000	0.000	0.000
307	307	GLY	0	0.005	0.009	17.562	-0.030	-0.030	0.000	0.000	0.000	0.000
308	308	ILE	0	-0.028	-0.012	16.218	0.012	0.012	0.000	0.000	0.000	0.000
309	309	ASP	-1	-0.904	-0.937	19.934	-0.220	-0.220	0.000	0.000	0.000	0.000
310	310	VAL	0	-0.003	-0.018	22.996	-0.001	-0.001	0.000	0.000	0.000	0.000
311	311	GLN	0	-0.031	-0.022	25.219	0.018	0.018	0.000	0.000	0.000	0.000
312	312	GLN	0	-0.007	-0.030	28.810	0.004	0.004	0.000	0.000	0.000	0.000
313	313	VAL	0	-0.016	0.024	27.056	0.008	0.008	0.000	0.000	0.000	0.000
314	314	SER	0	-0.033	-0.033	30.459	0.004	0.004	0.000	0.000	0.000	0.000
315	315	LEU	0	0.000	-0.003	32.275	0.002	0.002	0.000	0.000	0.000	0.000
316	316	VAL	0	0.024	0.013	26.873	-0.012	-0.012	0.000	0.000	0.000	0.000
317	317	ILE	0	-0.009	-0.010	28.442	0.013	0.013	0.000	0.000	0.000	0.000
318	318	ASN	0	0.018	0.003	25.800	-0.032	-0.032	0.000	0.000	0.000	0.000
319	319	TYR	0	0.069	0.020	27.435	0.014	0.014	0.000	0.000	0.000	0.000
320	320	ASP	-1	-0.790	-0.876	24.393	-0.205	-0.205	0.000	0.000	0.000	0.000
321	321	LEU	0	0.036	0.022	25.512	-0.011	-0.011	0.000	0.000	0.000	0.000
322	322	PRO	0	-0.020	0.026	22.167	-0.001	-0.001	0.000	0.000	0.000	0.000
323	323	THR	0	0.060	0.008	21.284	0.013	0.013	0.000	0.000	0.000	0.000
324	324	ASN	0	-0.039	-0.016	17.917	0.021	0.021	0.000	0.000	0.000	0.000
325	325	ARG	1	0.996	1.006	21.440	0.111	0.111	0.000	0.000	0.000	0.000
326	326	GLU	-1	-0.840	-0.920	20.464	-0.132	-0.132	0.000	0.000	0.000	0.000
327	327	ASN	0	-0.088	-0.061	18.348	0.007	0.007	0.000	0.000	0.000	0.000
328	328	TYR	0	0.016	-0.005	20.818	-0.012	-0.012	0.000	0.000	0.000	0.000
329	329	ILE	0	0.011	0.004	23.910	-0.003	-0.003	0.000	0.000	0.000	0.000
330	330	HIS	0	-0.033	-0.018	20.317	-0.006	-0.006	0.000	0.000	0.000	0.000
331	331	ARG	1	0.845	0.911	20.400	0.255	0.255	0.000	0.000	0.000	0.000
332	332	ILE	0	0.013	0.008	23.509	0.002	0.002	0.000	0.000	0.000	0.000
333	333	GLY	0	0.010	0.010	26.086	0.006	0.006	0.000	0.000	0.000	0.000
334	334	ARG	1	0.789	0.898	21.783	0.256	0.256	0.000	0.000	0.000	0.000
335	335	GLY	0	0.021	0.007	25.455	-0.003	-0.003	0.000	0.000	0.000	0.000
336	336	GLY	0	-0.002	-0.010	29.263	0.003	0.003	0.000	0.000	0.000	0.000
337	337	ARG	1	0.780	0.910	25.565	0.200	0.200	0.000	0.000	0.000	0.000
338	338	PHE	0	0.005	-0.004	31.375	0.007	0.007	0.000	0.000	0.000	0.000
339	339	GLY	0	0.011	0.011	33.894	0.005	0.005	0.000	0.000	0.000	0.000
340	340	ARG	1	0.816	0.898	36.354	0.115	0.115	0.000	0.000	0.000	0.000
341	341	LYS	1	0.934	0.959	35.379	0.085	0.085	0.000	0.000	0.000	0.000
342	342	GLY	0	0.105	0.055	33.005	-0.001	-0.001	0.000	0.000	0.000	0.000
343	343	VAL	0	-0.062	-0.022	33.514	0.009	0.009	0.000	0.000	0.000	0.000
344	344	ALA	0	0.011	0.006	30.711	-0.010	-0.010	0.000	0.000	0.000	0.000
345	345	ILE	0	0.008	0.008	31.862	0.009	0.009	0.000	0.000	0.000	0.000
346	346	ASN	0	-0.001	-0.004	30.067	-0.021	-0.021	0.000	0.000	0.000	0.000
347	347	MET	0	-0.010	0.009	31.103	0.008	0.008	0.000	0.000	0.000	0.000
348	348	VAL	0	-0.033	-0.009	31.451	-0.004	-0.004	0.000	0.000	0.000	0.000
349	349	THR	0	-0.024	-0.029	31.861	0.007	0.007	0.000	0.000	0.000	0.000
350	350	GLU	-1	-0.804	-0.919	34.409	-0.077	-0.077	0.000	0.000	0.000	0.000
351	351	GLU	-1	-0.843	-0.903	30.976	-0.087	-0.087	0.000	0.000	0.000	0.000
352	352	ASP	-1	-0.852	-0.892	29.104	-0.139	-0.139	0.000	0.000	0.000	0.000
353	353	LYS	1	0.839	0.910	31.379	0.080	0.080	0.000	0.000	0.000	0.000
354	354	ARG	1	0.816	0.891	30.277	0.092	0.092	0.000	0.000	0.000	0.000
355	355	THR	0	0.058	0.031	26.944	0.002	0.002	0.000	0.000	0.000	0.000
356	356	LEU	0	-0.001	0.005	29.810	-0.001	-0.001	0.000	0.000	0.000	0.000
357	357	ARG	1	0.863	0.919	32.237	0.079	0.079	0.000	0.000	0.000	0.000
358	358	ASP	-1	-0.890	-0.924	29.505	-0.074	-0.074	0.000	0.000	0.000	0.000
359	359	ILE	0	-0.044	-0.027	27.293	0.001	0.001	0.000	0.000	0.000	0.000
360	360	GLU	-1	-0.750	-0.846	30.181	-0.080	-0.080	0.000	0.000	0.000	0.000
361	361	THR	0	-0.046	-0.035	33.147	0.006	0.006	0.000	0.000	0.000	0.000
362	362	PHE	0	-0.101	-0.056	25.597	0.006	0.006	0.000	0.000	0.000	0.000
363	363	TYR	0	-0.012	-0.051	25.402	0.001	0.001	0.000	0.000	0.000	0.000
364	364	ASN	0	-0.066	-0.009	31.801	0.005	0.005	0.000	0.000	0.000	0.000
365	365	THR	0	0.011	0.007	34.661	0.003	0.003	0.000	0.000	0.000	0.000
366	366	SER	0	-0.088	-0.049	35.422	-0.003	-0.003	0.000	0.000	0.000	0.000
367	367	ILE	0	-0.051	-0.034	32.278	-0.003	-0.003	0.000	0.000	0.000	0.000
368	368	GLU	-1	-0.878	-0.933	36.888	-0.072	-0.072	0.000	0.000	0.000	0.000
369	369	GLU	-1	-0.944	-0.979	38.803	-0.079	-0.079	0.000	0.000	0.000	0.000
370	370	MET	0	-0.052	-0.026	38.891	-0.002	-0.002	0.000	0.000	0.000	0.000
371	371	PRO	0	-0.025	0.005	40.285	0.004	0.004	0.000	0.000	0.000	0.000
372	372	LEU	0	0.021	-0.011	43.128	-0.003	-0.003	0.000	0.000	0.000	0.000
373	373	ASN	0	0.009	0.006	45.377	-0.002	-0.002	0.000	0.000	0.000	0.000
374	374	VAL	0	0.018	0.010	38.588	-0.001	-0.001	0.000	0.000	0.000	0.000
375	375	ALA	0	0.029	-0.004	40.492	-0.004	-0.004	0.000	0.000	0.000	0.000
376	376	ASP	-1	-0.922	-0.950	42.055	-0.084	-0.084	0.000	0.000	0.000	0.000
377	377	LEU	0	-0.151	-0.075	40.225	0.001	0.001	0.000	0.000	0.000	0.000
378	378	ILE	-1	-0.818	-0.842	36.515	-0.120	-0.120	0.000	0.000	0.000	0.000
379	379	A	-1	-0.459	-0.575	10.140	0.010	0.010	0.000	0.000	0.000	0.000
380	379	A	0	-0.328	-0.288	12.747	-0.021	-0.021	0.000	0.000	0.000	0.000
381	380	G	-1	-0.540	-0.626	13.650	-0.129	-0.129	0.000	0.000	0.000	0.000
382	380	G	0	-0.363	-0.317	15.968	-0.008	-0.008	0.000	0.000	0.000	0.000
383	381	A	-1	-0.599	-0.680	15.050	-0.273	-0.273	0.000	0.000	0.000	0.000
384	381	A	0	-0.388	-0.313	16.186	-0.010	-0.010	0.000	0.000	0.000	0.000
385	382	G	-1	-0.529	-0.658	15.299	-0.405	-0.405	0.000	0.000	0.000	0.000
386	382	G	0	-0.362	-0.308	12.568	0.036	0.036	0.000	0.000	0.000	0.000
387	383	A	-1	-0.457	-0.578	11.189	-0.649	-0.649	0.000	0.000	0.000	0.000
388	383	A	0	-0.350	-0.299	9.064	-0.072	-0.072	0.000	0.000	0.000	0.000
389	384	G	-1	-0.457	-0.578	6.942	-1.099	-1.099	0.000	0.000	0.000	0.000
390	384	G	0	-0.374	-0.310	5.440	-0.254	-0.254	0.000	0.000	0.000	0.000
395	387	A	-1	-0.544	-0.643	5.317	-0.927	-0.927	0.000	0.000	0.000	0.000
396	387	A	0	-0.332	-0.291	5.965	0.111	0.111	0.000	0.000	0.000	0.000
397	388	G	0	0.292	0.225	8.629	0.041	0.041	0.000	0.000	0.000	0.000
398	388	G	0	-0.362	-0.268	6.111	-0.210	-0.210	0.000	0.000	0.000	0.000

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