FMO DATABASE

FMODB ID: R96G8

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

Total energy (hartree)

FMO2-HF: Electronic energy	-7631186.067524
FMO2-HF: Nuclear repulsion	7461982.551887
FMO2-HF: Total energy	-169203.515637
FMO2-MP2: Total energy	-169681.350138

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.
-282.475785	-235.685105	35.655417	-19.222223	-63.223874	0.060613

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.
-233.477	-218.655	10.569	-5.519	-19.871	-0.02

Interaction energy analysis for fragmet #399(:389:V6D)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 1 / q_Mulliken : 1.008 / q_NPA : 1.006

Distance from base fragment(s) [Å]

Dist

Interaction energy by IFIE and PIEDA
[kcal/mol]

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

Fragment charge [e]

FCHARGE q_Mulliken
q_NPA q(I=>J)

Residue

Res # RES

Sort

Graph Options

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

frag_NumFragment number.	Res #Residue number.	RES3-letter code of amino acid residue, ligand and solvent molecule.	FCHARGEFormal charge [e].	q_MullikenFragment charge evaluated by Mulliken charge [e].	q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e].	DISTDistance from Ligand [Å].	TotalIFIE at MP2 level [kcal/mol].	ESElectro static interaction energy by PIEDA [kcal/mol].	EXExchange-repulsion energy by PIEDA [kcal/mol].	CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol].	DI(MP2)Dispersion energy by PIEDA [kcal/mol].	q(I=>J)Charge transfer value from I to J fragmens [e].
82	82	ARG	1	0.859	0.891	3.504	41.685	42.162	0.031	-0.124	-0.384	0.000
132	132	GLY	0	0.030	0.037	2.670	-0.232	-0.432	0.411	-0.273	0.062	0.002
133	133	ARG	1	0.828	0.869	3.209	28.996	28.822	0.032	0.347	-0.205	-0.001
135	135	PHE	0	0.040	0.011	4.963	2.542	2.618	-0.001	-0.003	-0.072	0.000
167	167	GLN	0	-0.019	-0.009	4.152	-3.027	-2.612	0.004	-0.064	-0.356	0.000
254	254	ARG	1	0.956	0.957	3.929	41.921	42.095	0.000	-0.013	-0.161	0.000
390	384	A	-1	-0.472	-0.582	4.580	-32.141	-31.904	-0.001	-0.018	-0.218	0.000
391	385	G	0	-0.320	-0.283	2.758	-18.086	-9.539	6.358	-2.990	-11.915	-0.026
392	385	G	-1	-0.476	-0.585	2.145	-41.162	-37.693	3.078	-2.145	-4.401	-0.001
393	386	A	0	-0.358	-0.304	2.901	-1.105	0.298	0.604	-0.482	-1.524	0.006
394	386	A	-1	-0.538	-0.659	3.354	-35.624	-35.226	0.053	0.246	-0.697	0.000
1	1	GLU	0	-0.137	-0.080	42.704	0.342	0.342	0.000	0.000	0.000	0.000
2	2	ILE	0	0.010	-0.008	37.486	-0.142	-0.142	0.000	0.000	0.000	0.000
3	3	VAL	0	0.036	0.026	38.474	0.066	0.066	0.000	0.000	0.000	0.000
4	4	ASP	-1	-0.876	-0.928	39.347	-6.944	-6.944	0.000	0.000	0.000	0.000
5	5	SER	0	0.040	0.008	40.384	-0.066	-0.066	0.000	0.000	0.000	0.000
6	6	PHE	0	-0.004	-0.024	32.959	-0.090	-0.090	0.000	0.000	0.000	0.000
7	7	ASP	-1	-0.906	-0.954	37.773	-6.990	-6.990	0.000	0.000	0.000	0.000
8	8	ASP	-1	-0.869	-0.926	40.727	-6.670	-6.670	0.000	0.000	0.000	0.000
9	9	MET	0	-0.176	-0.087	33.515	-0.097	-0.097	0.000	0.000	0.000	0.000
10	10	ASN	0	-0.059	-0.020	37.053	-0.046	-0.046	0.000	0.000	0.000	0.000
11	11	LEU	0	-0.009	0.001	33.131	-0.149	-0.149	0.000	0.000	0.000	0.000
12	12	SER	0	0.033	0.001	34.722	0.219	0.219	0.000	0.000	0.000	0.000
13	13	GLU	-1	-0.868	-0.934	36.637	-7.159	-7.159	0.000	0.000	0.000	0.000
14	14	SER	0	-0.037	-0.023	35.370	-0.098	-0.098	0.000	0.000	0.000	0.000
15	15	LEU	0	0.025	0.007	30.335	-0.169	-0.169	0.000	0.000	0.000	0.000
16	16	LEU	0	0.005	0.012	33.925	-0.165	-0.165	0.000	0.000	0.000	0.000
17	17	ARG	1	0.907	0.960	36.870	7.284	7.284	0.000	0.000	0.000	0.000
18	18	GLY	0	0.037	0.014	33.204	-0.001	-0.001	0.000	0.000	0.000	0.000
19	19	ILE	0	-0.018	-0.016	32.461	-0.164	-0.164	0.000	0.000	0.000	0.000
20	20	TYR	0	-0.001	-0.012	34.103	-0.016	-0.016	0.000	0.000	0.000	0.000
21	21	ALA	0	-0.040	-0.013	35.580	0.056	0.056	0.000	0.000	0.000	0.000
22	22	TYR	0	-0.028	-0.009	26.620	-0.226	-0.226	0.000	0.000	0.000	0.000
23	23	GLY	0	-0.019	-0.006	33.276	-0.130	-0.130	0.000	0.000	0.000	0.000
24	24	PHE	0	-0.091	-0.032	29.840	0.021	0.021	0.000	0.000	0.000	0.000
25	25	GLU	-1	-0.904	-0.965	36.163	-7.153	-7.153	0.000	0.000	0.000	0.000
26	26	LYS	1	0.938	0.972	38.197	7.125	7.125	0.000	0.000	0.000	0.000
27	27	PRO	0	-0.014	0.020	34.715	-0.179	-0.179	0.000	0.000	0.000	0.000
28	28	SER	0	0.021	0.007	32.832	0.069	0.069	0.000	0.000	0.000	0.000
29	29	ALA	0	0.047	0.006	34.640	0.001	0.001	0.000	0.000	0.000	0.000
30	30	ILE	0	-0.021	-0.024	28.964	0.019	0.019	0.000	0.000	0.000	0.000
31	31	GLN	0	0.039	0.030	29.629	0.157	0.157	0.000	0.000	0.000	0.000
32	32	GLN	0	0.108	0.040	30.869	0.049	0.049	0.000	0.000	0.000	0.000
33	33	ARG	1	0.891	0.947	32.890	8.358	8.358	0.000	0.000	0.000	0.000
34	34	ALA	0	0.009	0.011	27.422	-0.041	-0.041	0.000	0.000	0.000	0.000
35	35	ILE	0	0.011	-0.003	28.937	-0.114	-0.114	0.000	0.000	0.000	0.000
36	36	LEU	0	0.033	0.018	30.115	-0.037	-0.037	0.000	0.000	0.000	0.000
37	37	PRO	0	-0.041	-0.019	29.858	0.077	0.077	0.000	0.000	0.000	0.000
38	38	CYS	0	-0.044	-0.012	25.502	-0.163	-0.163	0.000	0.000	0.000	0.000
39	39	ILE	0	0.073	0.034	27.882	-0.138	-0.138	0.000	0.000	0.000	0.000
40	40	LYS	1	0.870	0.943	30.251	7.907	7.907	0.000	0.000	0.000	0.000
41	41	GLY	0	0.050	0.032	27.259	0.117	0.117	0.000	0.000	0.000	0.000
42	42	TYR	0	-0.055	-0.034	26.877	-0.021	-0.021	0.000	0.000	0.000	0.000
43	43	ASP	-1	-0.726	-0.829	23.756	-11.209	-11.209	0.000	0.000	0.000	0.000
44	44	VAL	0	-0.032	-0.014	24.250	0.390	0.390	0.000	0.000	0.000	0.000
45	45	ILE	0	0.005	0.005	23.227	-0.499	-0.499	0.000	0.000	0.000	0.000
46	46	ALA	0	0.016	-0.005	24.354	0.471	0.471	0.000	0.000	0.000	0.000
47	47	GLN	0	0.001	0.010	24.836	-0.188	-0.188	0.000	0.000	0.000	0.000
48	48	ALA	0	-0.020	-0.014	25.395	0.279	0.279	0.000	0.000	0.000	0.000
49	49	GLN	0	0.034	0.012	25.643	-0.383	-0.383	0.000	0.000	0.000	0.000
50	50	SER	0	0.015	0.010	27.108	-0.011	-0.011	0.000	0.000	0.000	0.000
51	51	GLY	0	0.038	0.022	27.960	0.280	0.280	0.000	0.000	0.000	0.000
52	52	THR	0	-0.069	-0.046	28.847	0.166	0.166	0.000	0.000	0.000	0.000
53	53	GLY	0	0.068	0.041	27.966	0.161	0.161	0.000	0.000	0.000	0.000
54	54	LYS	1	0.804	0.892	20.362	13.223	13.223	0.000	0.000	0.000	0.000
55	55	THR	0	0.042	0.008	21.316	-0.249	-0.249	0.000	0.000	0.000	0.000
56	56	ALA	0	0.039	0.016	23.472	-0.028	-0.028	0.000	0.000	0.000	0.000
57	57	THR	0	-0.030	-0.020	25.487	0.274	0.274	0.000	0.000	0.000	0.000
58	58	PHE	0	0.042	0.030	19.251	0.207	0.207	0.000	0.000	0.000	0.000
59	59	ALA	0	-0.003	0.005	23.745	0.068	0.068	0.000	0.000	0.000	0.000
60	60	ILE	0	0.036	0.014	24.524	0.142	0.142	0.000	0.000	0.000	0.000
61	61	SER	0	-0.021	-0.027	26.146	0.111	0.111	0.000	0.000	0.000	0.000
62	62	ILE	0	-0.002	0.003	20.706	0.017	0.017	0.000	0.000	0.000	0.000
63	63	LEU	0	-0.010	-0.016	25.017	0.220	0.220	0.000	0.000	0.000	0.000
64	64	GLN	0	0.042	0.032	27.451	0.167	0.167	0.000	0.000	0.000	0.000
65	65	GLN	0	-0.083	-0.050	26.726	0.272	0.272	0.000	0.000	0.000	0.000
66	66	ILE	0	-0.084	-0.026	23.900	-0.050	-0.050	0.000	0.000	0.000	0.000
67	67	GLU	-1	-0.871	-0.931	27.984	-8.286	-8.286	0.000	0.000	0.000	0.000
68	68	LEU	0	0.057	0.018	28.996	-0.274	-0.274	0.000	0.000	0.000	0.000
69	69	ASP	-1	-0.900	-0.949	30.253	-8.420	-8.420	0.000	0.000	0.000	0.000
70	70	LEU	0	-0.087	-0.032	26.094	-0.031	-0.031	0.000	0.000	0.000	0.000
71	71	LYS	1	0.884	0.948	26.529	9.078	9.078	0.000	0.000	0.000	0.000
72	72	ALA	0	0.046	0.004	22.947	-0.141	-0.141	0.000	0.000	0.000	0.000
73	73	THR	0	-0.050	-0.012	17.424	-0.056	-0.056	0.000	0.000	0.000	0.000
74	74	GLN	0	-0.031	-0.028	20.685	0.069	0.069	0.000	0.000	0.000	0.000
75	75	ALA	0	-0.005	-0.003	20.132	0.155	0.155	0.000	0.000	0.000	0.000
76	76	LEU	0	-0.023	-0.006	12.406	-0.291	-0.291	0.000	0.000	0.000	0.000
77	77	VAL	0	-0.004	-0.006	15.486	0.260	0.260	0.000	0.000	0.000	0.000
78	78	LEU	0	-0.040	-0.016	9.012	-0.941	-0.941	0.000	0.000	0.000	0.000
79	79	ALA	0	0.054	0.006	11.256	1.194	1.194	0.000	0.000	0.000	0.000
80	80	PRO	0	0.025	0.012	9.721	-1.408	-1.408	0.000	0.000	0.000	0.000
81	81	THR	0	0.003	0.003	8.102	-1.600	-1.600	0.000	0.000	0.000	0.000
83	83	GLU	-1	-0.749	-0.861	9.302	-22.106	-22.106	0.000	0.000	0.000	0.000
84	84	LEU	0	-0.035	-0.005	12.192	1.396	1.396	0.000	0.000	0.000	0.000
85	85	ALA	0	0.020	0.010	12.312	1.103	1.103	0.000	0.000	0.000	0.000
86	86	GLN	0	-0.003	-0.011	13.656	1.201	1.201	0.000	0.000	0.000	0.000
87	87	GLN	0	0.017	0.021	16.060	0.698	0.698	0.000	0.000	0.000	0.000
88	88	ILE	0	0.015	0.006	15.961	0.764	0.764	0.000	0.000	0.000	0.000
89	89	GLN	0	0.028	0.007	18.206	0.471	0.471	0.000	0.000	0.000	0.000
90	90	LYS	1	0.898	0.949	19.929	13.817	13.817	0.000	0.000	0.000	0.000
91	91	VAL	0	0.020	0.021	22.698	0.441	0.441	0.000	0.000	0.000	0.000
92	92	VAL	0	0.025	0.008	21.266	0.427	0.427	0.000	0.000	0.000	0.000
93	93	MET	0	-0.020	0.000	23.008	0.360	0.360	0.000	0.000	0.000	0.000
94	94	ALA	0	-0.025	0.005	25.606	0.331	0.331	0.000	0.000	0.000	0.000
95	95	LEU	0	-0.026	-0.015	26.959	0.341	0.341	0.000	0.000	0.000	0.000
96	96	GLY	0	-0.002	-0.012	27.989	0.294	0.294	0.000	0.000	0.000	0.000
97	97	ASP	-1	-0.967	-0.969	29.178	-8.741	-8.741	0.000	0.000	0.000	0.000
98	98	TYR	0	0.012	-0.008	31.653	0.277	0.277	0.000	0.000	0.000	0.000
99	99	MET	0	-0.076	-0.029	30.564	0.051	0.051	0.000	0.000	0.000	0.000
100	100	GLY	0	0.037	0.036	31.153	0.123	0.123	0.000	0.000	0.000	0.000
101	101	ALA	0	-0.065	-0.028	26.932	-0.137	-0.137	0.000	0.000	0.000	0.000
102	102	SER	0	-0.057	-0.058	24.549	-0.235	-0.235	0.000	0.000	0.000	0.000
103	103	CYS	0	-0.047	-0.035	19.483	-0.275	-0.275	0.000	0.000	0.000	0.000
104	104	HIS	0	-0.014	-0.030	15.126	0.892	0.892	0.000	0.000	0.000	0.000
105	105	ALA	0	-0.011	0.001	14.476	-0.180	-0.180	0.000	0.000	0.000	0.000
106	106	CYS	0	-0.079	-0.023	11.748	-0.553	-0.553	0.000	0.000	0.000	0.000
107	107	ILE	0	0.023	0.003	8.992	-0.919	-0.919	0.000	0.000	0.000	0.000
108	108	GLY	0	0.019	0.023	5.555	0.553	0.553	0.000	0.000	0.000	0.000
109	109	GLY	0	0.011	0.001	6.610	0.624	0.624	0.000	0.000	0.000	0.000
110	110	THR	0	-0.025	-0.019	7.792	3.243	3.243	0.000	0.000	0.000	0.000
111	111	ASN	0	0.028	0.007	10.683	-0.951	-0.951	0.000	0.000	0.000	0.000
112	112	VAL	0	0.091	0.049	10.890	1.298	1.298	0.000	0.000	0.000	0.000
113	113	ARG	1	0.921	0.951	12.945	18.046	18.046	0.000	0.000	0.000	0.000
114	114	ALA	0	-0.003	-0.003	16.447	0.882	0.882	0.000	0.000	0.000	0.000
115	115	GLU	-1	-0.745	-0.865	12.595	-19.344	-19.344	0.000	0.000	0.000	0.000
116	116	VAL	0	0.023	0.006	15.537	0.597	0.597	0.000	0.000	0.000	0.000
117	117	GLN	0	-0.029	-0.005	17.099	0.422	0.422	0.000	0.000	0.000	0.000
118	118	LYS	1	0.956	0.955	19.379	13.042	13.042	0.000	0.000	0.000	0.000
119	119	LEU	0	0.005	0.018	14.840	0.340	0.340	0.000	0.000	0.000	0.000
120	120	GLN	0	0.011	-0.006	19.502	0.727	0.727	0.000	0.000	0.000	0.000
121	121	MET	0	-0.134	-0.052	22.177	0.314	0.314	0.000	0.000	0.000	0.000
122	122	GLU	-1	-0.867	-0.892	22.991	-10.462	-10.462	0.000	0.000	0.000	0.000
123	123	ALA	0	-0.031	-0.014	21.927	0.301	0.301	0.000	0.000	0.000	0.000
124	124	PRO	0	0.007	0.023	19.573	0.278	0.278	0.000	0.000	0.000	0.000
125	125	HIS	0	0.068	0.035	21.303	-0.661	-0.661	0.000	0.000	0.000	0.000
126	126	ILE	0	-0.037	-0.018	19.350	-0.100	-0.100	0.000	0.000	0.000	0.000
127	127	ILE	0	0.008	-0.001	13.711	-0.321	-0.321	0.000	0.000	0.000	0.000
128	128	VAL	0	0.011	0.016	14.353	0.122	0.122	0.000	0.000	0.000	0.000
129	129	GLY	0	0.030	0.000	10.910	-0.123	-0.123	0.000	0.000	0.000	0.000
130	130	THR	0	0.004	-0.007	6.374	1.281	1.281	0.000	0.000	0.000	0.000
131	131	PRO	0	0.016	0.000	4.866	-0.154	-0.154	0.000	0.000	0.000	0.000
134	134	VAL	0	0.033	0.012	6.816	2.304	2.304	0.000	0.000	0.000	0.000
136	136	ASP	-1	-0.826	-0.868	6.727	-23.714	-23.714	0.000	0.000	0.000	0.000
137	137	MET	0	-0.023	-0.017	8.134	2.008	2.008	0.000	0.000	0.000	0.000
138	138	LEU	0	-0.002	0.023	10.393	1.539	1.539	0.000	0.000	0.000	0.000
139	139	ASN	0	-0.080	-0.053	8.468	2.584	2.584	0.000	0.000	0.000	0.000
140	140	ARG	1	0.826	0.894	11.048	22.358	22.358	0.000	0.000	0.000	0.000
141	141	ARG	1	0.856	0.939	13.846	14.260	14.260	0.000	0.000	0.000	0.000
142	142	TYR	0	-0.006	-0.001	15.339	0.701	0.701	0.000	0.000	0.000	0.000
143	143	LEU	0	0.015	0.014	12.197	0.745	0.745	0.000	0.000	0.000	0.000
144	144	SER	0	0.018	-0.013	16.020	-0.041	-0.041	0.000	0.000	0.000	0.000
145	145	PRO	0	0.061	0.032	17.157	0.294	0.294	0.000	0.000	0.000	0.000
146	146	LYS	1	0.843	0.939	19.785	10.717	10.717	0.000	0.000	0.000	0.000
147	147	TYR	0	0.005	-0.017	21.579	0.463	0.463	0.000	0.000	0.000	0.000
148	148	ILE	0	-0.015	0.008	16.421	0.195	0.195	0.000	0.000	0.000	0.000
149	149	LYS	1	0.962	0.994	20.543	9.767	9.767	0.000	0.000	0.000	0.000
150	150	MET	0	-0.001	0.011	21.106	0.134	0.134	0.000	0.000	0.000	0.000
151	151	PHE	0	0.009	-0.002	12.332	-0.409	-0.409	0.000	0.000	0.000	0.000
152	152	VAL	0	-0.001	-0.004	16.653	0.475	0.475	0.000	0.000	0.000	0.000
153	153	LEU	0	0.000	-0.001	12.889	-0.887	-0.887	0.000	0.000	0.000	0.000
154	154	ASP	-1	-0.796	-0.896	15.652	-13.164	-13.164	0.000	0.000	0.000	0.000
155	155	GLU	-1	-0.841	-0.935	15.220	-15.397	-15.397	0.000	0.000	0.000	0.000
156	156	ALA	0	-0.002	-0.013	15.920	-0.664	-0.664	0.000	0.000	0.000	0.000
157	157	ASP	-1	-0.778	-0.841	16.180	-14.696	-14.696	0.000	0.000	0.000	0.000
158	158	GLU	-1	-0.871	-0.926	12.517	-19.008	-19.008	0.000	0.000	0.000	0.000
159	159	MET	0	-0.078	-0.009	9.127	-1.169	-1.169	0.000	0.000	0.000	0.000
160	160	LEU	0	-0.035	-0.025	12.160	-0.469	-0.469	0.000	0.000	0.000	0.000
161	161	SER	0	0.026	0.008	13.041	0.447	0.447	0.000	0.000	0.000	0.000
162	162	ARG	1	0.756	0.842	12.196	18.716	18.716	0.000	0.000	0.000	0.000
163	163	GLY	0	0.042	0.061	8.595	-0.538	-0.538	0.000	0.000	0.000	0.000
164	164	PHE	0	0.024	-0.002	5.852	-2.238	-2.238	0.000	0.000	0.000	0.000
165	165	LYS	1	0.923	0.979	9.113	16.656	16.656	0.000	0.000	0.000	0.000
166	166	ASP	-1	-0.886	-0.958	9.217	-18.539	-18.539	0.000	0.000	0.000	0.000
168	168	ILE	0	-0.001	-0.009	6.628	0.617	0.617	0.000	0.000	0.000	0.000
169	169	TYR	0	0.010	-0.006	9.750	1.129	1.129	0.000	0.000	0.000	0.000
170	170	ASP	-1	-0.868	-0.926	7.495	-21.181	-21.181	0.000	0.000	0.000	0.000
171	171	ILE	0	-0.075	-0.044	6.490	0.748	0.748	0.000	0.000	0.000	0.000
172	172	PHE	0	-0.027	-0.029	9.786	1.151	1.151	0.000	0.000	0.000	0.000
173	173	GLN	0	0.002	0.004	12.804	1.182	1.182	0.000	0.000	0.000	0.000
174	174	LYS	1	0.868	0.961	11.458	17.039	17.039	0.000	0.000	0.000	0.000
175	175	LEU	0	-0.026	-0.012	13.564	0.686	0.686	0.000	0.000	0.000	0.000
176	176	ASN	0	0.004	-0.001	15.922	0.448	0.448	0.000	0.000	0.000	0.000
177	177	SER	0	0.077	0.045	19.421	0.026	0.026	0.000	0.000	0.000	0.000
178	178	ASN	0	-0.042	-0.024	20.666	-0.012	-0.012	0.000	0.000	0.000	0.000
179	179	THR	0	-0.035	-0.009	18.256	0.240	0.240	0.000	0.000	0.000	0.000
180	180	GLN	0	0.000	0.012	21.127	-0.181	-0.181	0.000	0.000	0.000	0.000
181	181	VAL	0	-0.002	-0.007	18.182	-0.530	-0.530	0.000	0.000	0.000	0.000
182	182	VAL	0	-0.003	-0.007	19.969	0.509	0.509	0.000	0.000	0.000	0.000
183	183	LEU	0	0.006	0.002	17.856	-0.648	-0.648	0.000	0.000	0.000	0.000
184	184	LEU	0	-0.016	-0.011	19.726	0.682	0.682	0.000	0.000	0.000	0.000
185	185	SER	0	-0.035	-0.045	19.733	-0.609	-0.609	0.000	0.000	0.000	0.000
186	186	ALA	0	0.050	0.040	21.660	0.442	0.442	0.000	0.000	0.000	0.000
187	187	THR	0	0.001	0.009	21.400	0.508	0.508	0.000	0.000	0.000	0.000
188	188	MET	0	-0.005	-0.020	20.189	-0.435	-0.435	0.000	0.000	0.000	0.000
189	189	PRO	0	0.045	0.032	21.771	0.503	0.503	0.000	0.000	0.000	0.000
190	190	SER	0	-0.043	-0.029	24.300	-0.056	-0.056	0.000	0.000	0.000	0.000
191	191	ASP	-1	-0.837	-0.915	22.626	-11.394	-11.394	0.000	0.000	0.000	0.000
192	192	VAL	0	-0.006	-0.007	18.787	-0.203	-0.203	0.000	0.000	0.000	0.000
193	193	LEU	0	-0.060	-0.039	21.281	-0.026	-0.026	0.000	0.000	0.000	0.000
194	194	GLU	-1	-0.914	-0.945	23.380	-9.912	-9.912	0.000	0.000	0.000	0.000
195	195	VAL	0	-0.070	-0.028	16.804	-0.106	-0.106	0.000	0.000	0.000	0.000
196	196	THR	0	0.025	-0.003	19.157	-0.259	-0.259	0.000	0.000	0.000	0.000
197	197	LYS	1	0.957	0.978	20.604	9.986	9.986	0.000	0.000	0.000	0.000
198	198	LYS	1	0.875	0.969	14.726	15.553	15.553	0.000	0.000	0.000	0.000
199	199	PHE	0	-0.032	-0.018	13.524	-0.210	-0.210	0.000	0.000	0.000	0.000
200	200	MET	0	-0.059	-0.018	19.017	0.239	0.239	0.000	0.000	0.000	0.000
201	201	ARG	1	0.775	0.851	21.999	11.147	11.147	0.000	0.000	0.000	0.000
202	202	ASP	-1	-0.948	-0.984	25.973	-8.810	-8.810	0.000	0.000	0.000	0.000
203	203	PRO	0	-0.052	-0.010	25.000	0.072	0.072	0.000	0.000	0.000	0.000
204	204	ILE	0	0.039	0.012	27.069	0.299	0.299	0.000	0.000	0.000	0.000
205	205	ARG	1	0.957	0.973	27.974	9.420	9.420	0.000	0.000	0.000	0.000
206	206	ILE	0	-0.046	-0.022	28.644	0.388	0.388	0.000	0.000	0.000	0.000
207	207	LEU	0	-0.014	-0.009	26.813	-0.317	-0.317	0.000	0.000	0.000	0.000
208	208	VAL	0	-0.004	-0.002	29.540	0.340	0.340	0.000	0.000	0.000	0.000
209	209	LYS	1	0.967	0.980	30.569	7.720	7.720	0.000	0.000	0.000	0.000
210	210	LYS	1	0.974	0.979	29.827	9.686	9.686	0.000	0.000	0.000	0.000
211	211	GLU	-1	-0.905	-0.951	31.679	-8.118	-8.118	0.000	0.000	0.000	0.000
212	212	GLU	-1	-0.967	-0.981	33.686	-7.964	-7.964	0.000	0.000	0.000	0.000
213	213	LEU	0	-0.099	-0.040	27.414	-0.120	-0.120	0.000	0.000	0.000	0.000
214	214	THR	0	0.010	0.005	29.882	-0.256	-0.256	0.000	0.000	0.000	0.000
215	215	LEU	0	-0.016	-0.008	27.068	0.119	0.119	0.000	0.000	0.000	0.000
216	216	GLU	-1	-0.930	-0.962	31.555	-7.912	-7.912	0.000	0.000	0.000	0.000
217	217	GLY	0	0.006	0.010	33.828	0.121	0.121	0.000	0.000	0.000	0.000
218	218	ILE	0	-0.058	-0.029	28.654	-0.112	-0.112	0.000	0.000	0.000	0.000
219	219	ARG	1	0.958	0.992	32.893	8.035	8.035	0.000	0.000	0.000	0.000
220	220	GLN	0	0.046	0.023	31.162	-0.416	-0.416	0.000	0.000	0.000	0.000
221	221	PHE	0	0.007	0.005	32.432	0.324	0.324	0.000	0.000	0.000	0.000
222	222	TYR	0	-0.018	-0.009	31.742	-0.399	-0.399	0.000	0.000	0.000	0.000
223	223	ILE	0	0.069	0.033	31.308	0.281	0.281	0.000	0.000	0.000	0.000
224	224	ASN	0	-0.001	-0.002	32.032	-0.426	-0.426	0.000	0.000	0.000	0.000
225	225	VAL	0	0.046	0.018	29.508	0.196	0.196	0.000	0.000	0.000	0.000
226	226	GLU	-1	-0.883	-0.920	32.940	-8.087	-8.087	0.000	0.000	0.000	0.000
227	227	ARG	1	0.822	0.897	30.987	8.407	8.407	0.000	0.000	0.000	0.000
228	228	GLU	-1	-0.710	-0.841	23.787	-12.371	-12.371	0.000	0.000	0.000	0.000
229	229	GLU	-1	-0.955	-0.982	27.527	-10.930	-10.930	0.000	0.000	0.000	0.000
230	230	TRP	0	-0.007	-0.017	29.298	0.079	0.079	0.000	0.000	0.000	0.000
231	231	LYS	1	0.805	0.901	23.260	12.359	12.359	0.000	0.000	0.000	0.000
232	232	LEU	0	0.024	0.015	25.574	-0.099	-0.099	0.000	0.000	0.000	0.000
233	233	ASP	-1	-0.818	-0.911	27.666	-9.411	-9.411	0.000	0.000	0.000	0.000
234	234	THR	0	0.044	0.024	30.629	0.224	0.224	0.000	0.000	0.000	0.000
235	235	LEU	0	-0.044	-0.021	24.554	0.023	0.023	0.000	0.000	0.000	0.000
236	236	CYS	0	-0.099	-0.055	28.819	-0.050	-0.050	0.000	0.000	0.000	0.000
237	237	ASP	-1	-0.895	-0.926	31.051	-8.445	-8.445	0.000	0.000	0.000	0.000
238	238	LEU	0	-0.048	-0.040	29.559	0.124	0.124	0.000	0.000	0.000	0.000
239	239	TYR	0	-0.057	-0.042	26.876	0.056	0.056	0.000	0.000	0.000	0.000
240	240	GLU	-1	-0.891	-0.939	30.923	-8.376	-8.376	0.000	0.000	0.000	0.000
241	241	THR	0	0.004	0.005	33.052	0.100	0.100	0.000	0.000	0.000	0.000
242	242	LEU	0	-0.002	0.003	27.618	0.016	0.016	0.000	0.000	0.000	0.000
243	243	THR	0	0.003	0.005	31.663	-0.112	-0.112	0.000	0.000	0.000	0.000
244	244	ILE	0	-0.029	-0.009	34.482	0.055	0.055	0.000	0.000	0.000	0.000
245	245	THR	0	-0.049	-0.042	29.858	0.078	0.078	0.000	0.000	0.000	0.000
246	246	GLN	0	-0.052	-0.007	23.940	0.276	0.276	0.000	0.000	0.000	0.000
247	247	ALA	0	0.026	0.009	25.825	0.157	0.157	0.000	0.000	0.000	0.000
248	248	VAL	0	-0.029	-0.010	19.174	-0.326	-0.326	0.000	0.000	0.000	0.000
249	249	ILE	0	-0.003	-0.008	21.013	0.428	0.428	0.000	0.000	0.000	0.000
250	250	PHE	0	0.018	0.008	16.987	-0.597	-0.597	0.000	0.000	0.000	0.000
251	251	ILE	0	-0.030	-0.017	16.199	0.741	0.741	0.000	0.000	0.000	0.000
252	252	ASN	0	0.015	-0.011	16.044	-1.067	-1.067	0.000	0.000	0.000	0.000
253	253	THR	0	-0.058	-0.032	13.255	-0.544	-0.544	0.000	0.000	0.000	0.000
255	255	ARG	1	0.960	0.985	11.695	18.526	18.526	0.000	0.000	0.000	0.000
256	256	LYS	1	0.782	0.870	14.105	14.721	14.721	0.000	0.000	0.000	0.000
257	257	VAL	0	0.044	0.021	13.815	0.885	0.885	0.000	0.000	0.000	0.000
258	258	ASP	-1	-0.836	-0.894	13.209	-20.974	-20.974	0.000	0.000	0.000	0.000
259	259	TRP	0	0.010	-0.001	16.081	0.961	0.961	0.000	0.000	0.000	0.000
260	260	LEU	0	0.002	-0.008	19.231	0.707	0.707	0.000	0.000	0.000	0.000
261	261	THR	0	0.000	-0.014	18.133	0.774	0.774	0.000	0.000	0.000	0.000
262	262	GLU	-1	-0.958	-0.965	20.271	-13.923	-13.923	0.000	0.000	0.000	0.000
263	263	LYS	1	0.888	0.938	21.923	13.290	13.290	0.000	0.000	0.000	0.000
264	264	MET	0	-0.006	-0.002	23.928	0.585	0.585	0.000	0.000	0.000	0.000
265	265	HIS	0	0.017	0.019	24.185	0.285	0.285	0.000	0.000	0.000	0.000
266	266	ALA	0	-0.052	-0.026	26.115	0.380	0.380	0.000	0.000	0.000	0.000
267	267	ARG	1	0.757	0.863	28.158	10.237	10.237	0.000	0.000	0.000	0.000
268	268	ASP	-1	-0.918	-0.937	29.608	-9.206	-9.206	0.000	0.000	0.000	0.000
269	269	PHE	0	-0.027	-0.019	27.615	0.195	0.195	0.000	0.000	0.000	0.000
270	270	THR	0	-0.006	-0.003	26.657	-0.361	-0.361	0.000	0.000	0.000	0.000
271	271	VAL	0	-0.010	-0.016	21.421	0.136	0.136	0.000	0.000	0.000	0.000
272	272	SER	0	0.004	0.018	19.879	-0.128	-0.128	0.000	0.000	0.000	0.000
273	273	ALA	0	0.000	-0.008	16.673	0.244	0.244	0.000	0.000	0.000	0.000
274	274	MET	0	-0.021	-0.015	12.008	-0.127	-0.127	0.000	0.000	0.000	0.000
275	275	HIS	0	0.020	-0.018	9.273	-1.360	-1.360	0.000	0.000	0.000	0.000
276	276	GLY	0	0.007	-0.018	6.294	-0.382	-0.382	0.000	0.000	0.000	0.000
277	277	ASP	-1	-1.020	-1.008	4.856	-48.192	-48.192	0.000	0.000	0.000	0.000
278	278	MET	0	-0.013	0.035	5.897	-0.390	-0.390	0.000	0.000	0.000	0.000
279	279	ASP	-1	-0.845	-0.918	7.590	-31.416	-31.416	0.000	0.000	0.000	0.000
280	280	GLN	0	-0.025	-0.017	7.758	-0.520	-0.520	0.000	0.000	0.000	0.000
281	281	LYS	1	0.911	0.938	9.556	22.429	22.429	0.000	0.000	0.000	0.000
282	282	GLU	-1	-0.911	-0.945	12.336	-18.806	-18.806	0.000	0.000	0.000	0.000
283	283	ARG	1	0.805	0.864	5.819	32.881	32.881	0.000	0.000	0.000	0.000
284	284	ASP	-1	-0.843	-0.920	12.358	-16.818	-16.818	0.000	0.000	0.000	0.000
285	285	VAL	0	-0.057	-0.029	14.108	1.303	1.303	0.000	0.000	0.000	0.000
286	286	ILE	0	0.022	0.024	14.819	1.071	1.071	0.000	0.000	0.000	0.000
287	287	MET	0	0.033	0.014	15.151	1.250	1.250	0.000	0.000	0.000	0.000
288	288	ARG	1	0.820	0.907	17.116	16.377	16.377	0.000	0.000	0.000	0.000
289	289	GLU	-1	-0.844	-0.910	19.643	-11.721	-11.721	0.000	0.000	0.000	0.000
290	290	PHE	0	0.001	0.013	19.902	0.587	0.587	0.000	0.000	0.000	0.000
291	291	ARG	1	0.828	0.889	17.502	15.046	15.046	0.000	0.000	0.000	0.000
292	292	SER	0	-0.032	-0.020	22.700	0.484	0.484	0.000	0.000	0.000	0.000
293	293	GLY	0	-0.020	0.008	24.946	0.453	0.453	0.000	0.000	0.000	0.000
294	294	SER	0	-0.075	-0.049	24.806	0.485	0.485	0.000	0.000	0.000	0.000
295	295	SER	0	-0.023	-0.002	22.528	0.302	0.302	0.000	0.000	0.000	0.000
296	296	ARG	1	0.871	0.916	25.729	9.882	9.882	0.000	0.000	0.000	0.000
297	297	VAL	0	0.024	0.004	23.372	0.127	0.127	0.000	0.000	0.000	0.000
298	298	LEU	0	-0.016	0.000	16.838	-0.227	-0.227	0.000	0.000	0.000	0.000
299	299	ILE	0	0.026	0.015	17.208	0.147	0.147	0.000	0.000	0.000	0.000
300	300	THR	0	-0.021	-0.030	14.621	-1.198	-1.198	0.000	0.000	0.000	0.000
301	301	THR	0	0.044	0.012	10.490	1.225	1.225	0.000	0.000	0.000	0.000
302	302	ASP	-1	-0.805	-0.897	13.685	-16.578	-16.578	0.000	0.000	0.000	0.000
303	303	LEU	0	-0.009	0.020	8.488	0.072	0.072	0.000	0.000	0.000	0.000
304	304	LEU	0	-0.015	-0.017	11.565	0.395	0.395	0.000	0.000	0.000	0.000
305	305	ALA	0	0.016	0.012	14.710	1.154	1.154	0.000	0.000	0.000	0.000
306	306	ARG	1	0.845	0.899	14.549	16.389	16.389	0.000	0.000	0.000	0.000
307	307	GLY	0	0.048	0.026	15.972	-0.467	-0.467	0.000	0.000	0.000	0.000
308	308	ILE	0	-0.050	-0.027	14.700	0.599	0.599	0.000	0.000	0.000	0.000
309	309	ASP	-1	-0.886	-0.928	18.332	-11.220	-11.220	0.000	0.000	0.000	0.000
310	310	VAL	0	0.022	0.002	20.939	-0.076	-0.076	0.000	0.000	0.000	0.000
311	311	GLN	0	0.050	0.026	23.717	0.099	0.099	0.000	0.000	0.000	0.000
312	312	GLN	0	-0.033	-0.025	25.646	0.427	0.427	0.000	0.000	0.000	0.000
313	313	VAL	0	-0.016	0.011	23.448	0.203	0.203	0.000	0.000	0.000	0.000
314	314	SER	0	0.034	0.008	26.934	0.009	0.009	0.000	0.000	0.000	0.000
315	315	LEU	0	-0.017	0.008	28.072	0.056	0.056	0.000	0.000	0.000	0.000
316	316	VAL	0	-0.015	-0.003	23.381	-0.417	-0.417	0.000	0.000	0.000	0.000
317	317	ILE	0	0.020	0.007	24.646	0.401	0.401	0.000	0.000	0.000	0.000
318	318	ASN	0	-0.001	-0.006	22.837	-1.168	-1.168	0.000	0.000	0.000	0.000
319	319	TYR	0	0.084	0.025	21.930	0.523	0.523	0.000	0.000	0.000	0.000
320	320	ASP	-1	-0.754	-0.850	19.499	-14.017	-14.017	0.000	0.000	0.000	0.000
321	321	LEU	0	0.024	0.015	21.857	-0.234	-0.234	0.000	0.000	0.000	0.000
322	322	PRO	0	-0.018	0.011	20.575	-0.370	-0.370	0.000	0.000	0.000	0.000
323	323	THR	0	0.052	0.017	18.900	0.671	0.671	0.000	0.000	0.000	0.000
324	324	ASN	0	-0.031	-0.019	20.076	0.375	0.375	0.000	0.000	0.000	0.000
325	325	ARG	1	0.964	0.990	22.001	11.534	11.534	0.000	0.000	0.000	0.000
326	326	GLU	-1	-0.851	-0.918	21.882	-12.094	-12.094	0.000	0.000	0.000	0.000
327	327	ASN	0	-0.023	-0.032	17.966	0.028	0.028	0.000	0.000	0.000	0.000
328	328	TYR	0	-0.019	-0.010	20.699	-0.216	-0.216	0.000	0.000	0.000	0.000
329	329	ILE	0	0.008	0.001	23.818	0.058	0.058	0.000	0.000	0.000	0.000
330	330	HIS	0	-0.071	-0.037	19.482	0.038	0.038	0.000	0.000	0.000	0.000
331	331	ARG	1	0.812	0.873	17.724	14.994	14.994	0.000	0.000	0.000	0.000
332	332	ILE	0	0.016	0.004	21.430	0.084	0.084	0.000	0.000	0.000	0.000
333	333	GLY	0	0.020	0.025	23.944	0.302	0.302	0.000	0.000	0.000	0.000
334	334	ARG	1	0.766	0.884	18.474	13.711	13.711	0.000	0.000	0.000	0.000
335	335	GLY	0	0.015	0.012	22.634	0.056	0.056	0.000	0.000	0.000	0.000
336	336	GLY	0	0.004	-0.002	26.359	0.026	0.026	0.000	0.000	0.000	0.000
337	337	ARG	1	0.784	0.909	24.166	11.575	11.575	0.000	0.000	0.000	0.000
338	338	PHE	0	-0.023	-0.032	28.104	0.287	0.287	0.000	0.000	0.000	0.000
339	339	GLY	0	0.017	0.013	30.624	0.239	0.239	0.000	0.000	0.000	0.000
340	340	ARG	1	0.852	0.950	30.132	9.733	9.733	0.000	0.000	0.000	0.000
341	341	LYS	1	0.971	0.983	32.719	7.740	7.740	0.000	0.000	0.000	0.000
342	342	GLY	0	0.032	0.016	30.985	-0.076	-0.076	0.000	0.000	0.000	0.000
343	343	VAL	0	-0.023	-0.019	30.847	0.242	0.242	0.000	0.000	0.000	0.000
344	344	ALA	0	0.009	0.005	28.534	-0.371	-0.371	0.000	0.000	0.000	0.000
345	345	ILE	0	0.008	0.005	28.640	0.336	0.336	0.000	0.000	0.000	0.000
346	346	ASN	0	0.001	-0.003	27.325	-0.881	-0.881	0.000	0.000	0.000	0.000
347	347	MET	0	-0.011	0.001	26.587	0.260	0.260	0.000	0.000	0.000	0.000
348	348	VAL	0	-0.035	-0.011	27.427	-0.296	-0.296	0.000	0.000	0.000	0.000
349	349	THR	0	-0.032	-0.034	27.885	0.342	0.342	0.000	0.000	0.000	0.000
350	350	GLU	-1	-0.839	-0.947	30.408	-8.399	-8.399	0.000	0.000	0.000	0.000
351	351	GLU	-1	-0.971	-0.970	27.589	-10.252	-10.252	0.000	0.000	0.000	0.000
352	352	ASP	-1	-0.823	-0.877	26.218	-11.360	-11.360	0.000	0.000	0.000	0.000
353	353	LYS	1	0.837	0.901	28.837	8.471	8.471	0.000	0.000	0.000	0.000
354	354	ARG	1	0.820	0.899	31.045	9.255	9.255	0.000	0.000	0.000	0.000
355	355	THR	0	0.061	0.028	25.530	-0.067	-0.067	0.000	0.000	0.000	0.000
356	356	LEU	0	0.023	0.016	28.836	-0.123	-0.123	0.000	0.000	0.000	0.000
357	357	ARG	1	0.981	0.993	30.839	8.665	8.665	0.000	0.000	0.000	0.000
358	358	ASP	-1	-0.884	-0.916	29.703	-9.658	-9.658	0.000	0.000	0.000	0.000
359	359	ILE	0	-0.040	-0.017	26.383	-0.061	-0.061	0.000	0.000	0.000	0.000
360	360	GLU	-1	-0.829	-0.920	30.255	-8.512	-8.512	0.000	0.000	0.000	0.000
361	361	THR	0	-0.082	-0.059	33.870	0.299	0.299	0.000	0.000	0.000	0.000
362	362	PHE	0	-0.081	-0.046	27.153	0.061	0.061	0.000	0.000	0.000	0.000
363	363	TYR	0	-0.040	-0.055	25.596	-0.031	-0.031	0.000	0.000	0.000	0.000
364	364	ASN	0	-0.047	-0.008	32.313	0.082	0.082	0.000	0.000	0.000	0.000
365	365	THR	0	-0.027	-0.015	34.195	0.156	0.156	0.000	0.000	0.000	0.000
366	366	SER	0	-0.055	-0.039	36.061	-0.195	-0.195	0.000	0.000	0.000	0.000
367	367	ILE	0	-0.055	-0.019	31.400	-0.136	-0.136	0.000	0.000	0.000	0.000
368	368	GLU	-1	-0.874	-0.915	35.654	-7.553	-7.553	0.000	0.000	0.000	0.000
369	369	GLU	-1	-0.930	-0.974	36.320	-8.032	-8.032	0.000	0.000	0.000	0.000
370	370	MET	0	-0.056	-0.030	33.807	0.035	0.035	0.000	0.000	0.000	0.000
371	371	PRO	0	-0.025	-0.011	37.300	0.130	0.130	0.000	0.000	0.000	0.000
372	372	LEU	0	0.008	-0.002	39.600	-0.107	-0.107	0.000	0.000	0.000	0.000
373	373	ASN	0	-0.012	-0.001	40.428	-0.095	-0.095	0.000	0.000	0.000	0.000
374	374	VAL	0	0.055	0.020	35.272	0.054	0.054	0.000	0.000	0.000	0.000
375	375	ALA	0	0.030	0.000	37.256	-0.078	-0.078	0.000	0.000	0.000	0.000
376	376	ASP	-1	-0.916	-0.949	38.269	-7.213	-7.213	0.000	0.000	0.000	0.000
377	377	LEU	0	-0.138	-0.074	38.891	0.136	0.136	0.000	0.000	0.000	0.000
378	378	ILE	-1	-0.988	-0.973	34.247	-8.346	-8.346	0.000	0.000	0.000	0.000
379	379	A	0	-0.360	-0.290	19.100	0.169	0.169	0.000	0.000	0.000	0.000
380	379	A	-1	-0.542	-0.641	13.749	-18.229	-18.229	0.000	0.000	0.000	0.000
381	380	G	0	-0.363	-0.310	16.720	-0.170	-0.170	0.000	0.000	0.000	0.000
382	380	G	-1	-0.498	-0.615	13.482	-20.043	-20.043	0.000	0.000	0.000	0.000
383	381	A	0	-0.382	-0.321	16.493	0.021	0.021	0.000	0.000	0.000	0.000
384	381	A	-1	-0.636	-0.685	12.570	-21.113	-21.113	0.000	0.000	0.000	0.000
385	382	G	0	-0.324	-0.289	13.597	-0.447	-0.447	0.000	0.000	0.000	0.000
386	382	G	-1	-0.518	-0.650	10.147	-23.880	-23.880	0.000	0.000	0.000	0.000
387	383	A	0	-0.322	-0.294	9.646	-0.581	-0.581	0.000	0.000	0.000	0.000
388	383	A	-1	-0.447	-0.575	6.810	-29.307	-29.307	0.000	0.000	0.000	0.000
389	384	A	0	-0.359	-0.307	6.048	-1.173	-1.173	0.000	0.000	0.000	0.000
395	387	G	0	-0.330	-0.289	5.285	-8.241	-8.241	0.000	0.000	0.000	0.000
396	387	G	-1	-0.680	-0.712	7.956	-24.906	-24.906	0.000	0.000	0.000	0.000
397	388	G	0	-0.311	-0.276	6.256	-5.501	-5.501	0.000	0.000	0.000	0.000
398	388	G	0	0.261	0.243	11.156	1.333	1.333	0.000	0.000	0.000	0.000

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