FMO DATABASE

FMODB ID: QYZ6Y

Calculation Name: 6XKI-A-MD433-76ns

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	-7630533.246405
FMO2-HF: Nuclear repulsion	7461179.406865
FMO2-HF: Total energy	-169353.83954
FMO2-MP2: Total energy	-169831.97817

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.
-275.999937	-224.919783	40.277199	-20.960173	-70.397180	0.095729

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.
-221.868	-207.438	11.414	-4.764	-21.079	-0.013

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 : 1.019 / q_NPA : 1.015

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	0.886	0.910	2.955	41.789	42.431	0.211	-0.184	-0.669	0.000
108	108	GLY	0	0.023	0.011	4.772	0.037	-0.014	-0.001	-0.010	0.062	0.000
132	132	GLY	0	0.039	0.026	2.668	0.249	-0.127	0.259	0.010	0.107	0.001
133	133	ARG	1	0.825	0.866	3.390	29.392	29.399	0.014	0.167	-0.188	-0.001
167	167	GLN	0	0.018	0.008	4.699	-1.503	-1.296	-0.001	-0.027	-0.180	0.000
277	277	ASP	-1	-0.989	-0.987	4.973	-46.166	-46.003	-0.001	-0.004	-0.158	0.000
390	384	G	-1	-0.436	-0.590	4.725	-31.400	-31.203	-0.001	-0.010	-0.186	0.000
391	385	G	0	-0.316	-0.292	2.502	-15.393	-7.974	5.768	-2.542	-10.645	-0.018
392	385	G	-1	-0.498	-0.590	2.329	-40.609	-37.064	2.946	-2.492	-3.998	0.004
393	386	G	0	-0.380	-0.328	2.845	-6.413	-4.685	2.040	-0.771	-2.997	0.005
394	386	G	-1	-0.530	-0.629	2.981	-38.561	-39.091	0.144	1.434	-1.047	-0.002
395	387	G	0	-0.329	-0.282	4.541	-10.349	-9.805	0.000	-0.024	-0.520	0.000
397	388	G	0	-0.380	-0.305	5.206	6.018	6.090	0.000	-0.001	-0.071	0.000
398	388	G	0	0.338	0.282	3.349	-6.274	-5.411	0.036	-0.310	-0.589	-0.002
1	1	GLU	0	-0.047	-0.031	36.457	0.040	0.040	0.000	0.000	0.000	0.000
2	2	ILE	0	0.005	-0.009	36.902	-0.188	-0.188	0.000	0.000	0.000	0.000
3	3	VAL	0	0.037	0.035	37.583	0.168	0.168	0.000	0.000	0.000	0.000
4	4	ASP	-1	-0.916	-0.959	38.610	-6.925	-6.925	0.000	0.000	0.000	0.000
5	5	SER	0	0.020	0.006	40.173	0.015	0.015	0.000	0.000	0.000	0.000
6	6	PHE	0	0.007	-0.013	33.880	-0.122	-0.122	0.000	0.000	0.000	0.000
7	7	ASP	-1	-0.864	-0.930	38.344	-7.058	-7.058	0.000	0.000	0.000	0.000
8	8	ASP	-1	-0.910	-0.951	41.150	-6.678	-6.678	0.000	0.000	0.000	0.000
9	9	MET	0	-0.154	-0.079	34.847	-0.146	-0.146	0.000	0.000	0.000	0.000
10	10	ASN	0	-0.076	-0.030	36.865	-0.038	-0.038	0.000	0.000	0.000	0.000
11	11	LEU	0	-0.019	-0.003	33.411	-0.141	-0.141	0.000	0.000	0.000	0.000
12	12	SER	0	0.048	0.029	34.905	0.134	0.134	0.000	0.000	0.000	0.000
13	13	GLU	-1	-0.837	-0.930	36.951	-7.217	-7.217	0.000	0.000	0.000	0.000
14	14	SER	0	-0.052	-0.031	35.754	0.061	0.061	0.000	0.000	0.000	0.000
15	15	LEU	0	-0.004	-0.003	30.577	-0.188	-0.188	0.000	0.000	0.000	0.000
16	16	LEU	0	0.023	0.011	34.011	-0.177	-0.177	0.000	0.000	0.000	0.000
17	17	ARG	1	0.901	0.968	36.714	7.570	7.570	0.000	0.000	0.000	0.000
18	18	GLY	0	0.021	0.016	32.954	-0.004	-0.004	0.000	0.000	0.000	0.000
19	19	ILE	0	-0.017	-0.013	32.277	-0.182	-0.182	0.000	0.000	0.000	0.000
20	20	TYR	0	0.013	-0.012	34.004	-0.068	-0.068	0.000	0.000	0.000	0.000
21	21	ALA	0	-0.043	-0.015	35.278	0.051	0.051	0.000	0.000	0.000	0.000
22	22	TYR	0	-0.055	-0.019	26.793	-0.149	-0.149	0.000	0.000	0.000	0.000
23	23	GLY	0	-0.001	-0.003	33.006	-0.120	-0.120	0.000	0.000	0.000	0.000
24	24	PHE	0	-0.114	-0.040	30.387	0.035	0.035	0.000	0.000	0.000	0.000
25	25	GLU	-1	-0.886	-0.945	36.288	-6.976	-6.976	0.000	0.000	0.000	0.000
26	26	LYS	1	0.952	0.961	38.796	6.876	6.876	0.000	0.000	0.000	0.000
27	27	PRO	0	0.023	0.037	35.423	-0.176	-0.176	0.000	0.000	0.000	0.000
28	28	SER	0	-0.002	-0.024	31.613	0.188	0.188	0.000	0.000	0.000	0.000
29	29	ALA	0	0.026	-0.004	34.859	0.035	0.035	0.000	0.000	0.000	0.000
30	30	ILE	0	-0.017	-0.002	28.408	0.063	0.063	0.000	0.000	0.000	0.000
31	31	GLN	0	0.003	0.001	30.208	0.220	0.220	0.000	0.000	0.000	0.000
32	32	GLN	0	-0.002	0.004	32.412	0.195	0.195	0.000	0.000	0.000	0.000
33	33	ARG	1	0.923	0.953	33.291	7.928	7.928	0.000	0.000	0.000	0.000
34	34	ALA	0	0.005	-0.001	28.644	0.011	0.011	0.000	0.000	0.000	0.000
35	35	ILE	0	0.050	0.031	29.749	-0.136	-0.136	0.000	0.000	0.000	0.000
36	36	LEU	0	0.024	0.023	31.077	-0.073	-0.073	0.000	0.000	0.000	0.000
37	37	PRO	0	-0.012	-0.024	31.277	0.021	0.021	0.000	0.000	0.000	0.000
38	38	CYS	0	-0.015	0.006	26.129	-0.179	-0.179	0.000	0.000	0.000	0.000
39	39	ILE	0	0.067	0.035	28.826	-0.139	-0.139	0.000	0.000	0.000	0.000
40	40	LYS	1	0.831	0.910	31.068	7.542	7.542	0.000	0.000	0.000	0.000
41	41	GLY	0	0.071	0.058	28.767	0.129	0.129	0.000	0.000	0.000	0.000
42	42	TYR	0	-0.058	-0.025	28.463	-0.105	-0.105	0.000	0.000	0.000	0.000
43	43	ASP	-1	-0.714	-0.825	24.803	-10.677	-10.677	0.000	0.000	0.000	0.000
44	44	VAL	0	-0.044	-0.028	25.201	0.324	0.324	0.000	0.000	0.000	0.000
45	45	ILE	0	0.000	0.004	24.115	-0.426	-0.426	0.000	0.000	0.000	0.000
46	46	ALA	0	0.018	-0.011	24.623	0.430	0.430	0.000	0.000	0.000	0.000
47	47	GLN	0	0.009	0.005	24.746	-0.223	-0.223	0.000	0.000	0.000	0.000
48	48	ALA	0	-0.019	-0.013	25.315	0.366	0.366	0.000	0.000	0.000	0.000
49	49	GLN	0	0.076	0.034	25.847	-0.697	-0.697	0.000	0.000	0.000	0.000
50	50	SER	0	-0.024	-0.003	25.974	0.070	0.070	0.000	0.000	0.000	0.000
51	51	GLY	0	0.066	0.028	27.343	0.280	0.280	0.000	0.000	0.000	0.000
52	52	THR	0	-0.060	-0.043	28.793	0.230	0.230	0.000	0.000	0.000	0.000
53	53	GLY	0	0.048	0.038	27.950	0.146	0.146	0.000	0.000	0.000	0.000
54	54	LYS	1	0.821	0.902	20.429	13.086	13.086	0.000	0.000	0.000	0.000
55	55	THR	0	0.042	0.010	21.451	-0.141	-0.141	0.000	0.000	0.000	0.000
56	56	ALA	0	0.040	0.019	23.355	0.001	0.001	0.000	0.000	0.000	0.000
57	57	THR	0	-0.032	-0.022	25.835	0.267	0.267	0.000	0.000	0.000	0.000
58	58	PHE	0	0.037	0.015	19.233	0.183	0.183	0.000	0.000	0.000	0.000
59	59	ALA	0	0.007	0.009	23.618	0.078	0.078	0.000	0.000	0.000	0.000
60	60	ILE	0	0.030	0.011	24.567	0.112	0.112	0.000	0.000	0.000	0.000
61	61	SER	0	-0.006	-0.021	26.260	0.319	0.319	0.000	0.000	0.000	0.000
62	62	ILE	0	-0.020	-0.011	20.907	0.014	0.014	0.000	0.000	0.000	0.000
63	63	LEU	0	-0.027	-0.023	25.209	0.160	0.160	0.000	0.000	0.000	0.000
64	64	GLN	0	0.029	0.012	27.595	0.098	0.098	0.000	0.000	0.000	0.000
65	65	GLN	0	-0.071	-0.039	27.073	0.339	0.339	0.000	0.000	0.000	0.000
66	66	ILE	0	-0.094	-0.026	24.235	-0.094	-0.094	0.000	0.000	0.000	0.000
67	67	GLU	-1	-0.886	-0.936	28.217	-8.214	-8.214	0.000	0.000	0.000	0.000
68	68	LEU	0	0.000	-0.022	29.210	-0.267	-0.267	0.000	0.000	0.000	0.000
69	69	ASP	-1	-0.909	-0.935	30.915	-8.186	-8.186	0.000	0.000	0.000	0.000
70	70	LEU	0	-0.113	-0.043	26.201	-0.059	-0.059	0.000	0.000	0.000	0.000
71	71	LYS	1	0.927	0.960	26.726	9.980	9.980	0.000	0.000	0.000	0.000
72	72	ALA	0	0.010	-0.015	23.195	-0.227	-0.227	0.000	0.000	0.000	0.000
73	73	THR	0	-0.030	0.002	17.636	-0.012	-0.012	0.000	0.000	0.000	0.000
74	74	GLN	0	-0.046	-0.033	21.044	0.093	0.093	0.000	0.000	0.000	0.000
75	75	ALA	0	-0.006	0.006	20.348	0.214	0.214	0.000	0.000	0.000	0.000
76	76	LEU	0	-0.026	-0.009	12.852	-0.379	-0.379	0.000	0.000	0.000	0.000
77	77	VAL	0	-0.004	-0.007	15.488	0.286	0.286	0.000	0.000	0.000	0.000
78	78	LEU	0	0.013	0.000	9.301	-0.774	-0.774	0.000	0.000	0.000	0.000
79	79	ALA	0	0.017	-0.004	10.980	1.109	1.109	0.000	0.000	0.000	0.000
80	80	PRO	0	0.031	0.012	9.801	-1.497	-1.497	0.000	0.000	0.000	0.000
81	81	THR	0	0.007	0.019	8.285	-1.738	-1.738	0.000	0.000	0.000	0.000
83	83	GLU	-1	-0.758	-0.858	9.592	-21.493	-21.493	0.000	0.000	0.000	0.000
84	84	LEU	0	-0.004	0.005	12.641	1.323	1.323	0.000	0.000	0.000	0.000
85	85	ALA	0	0.017	0.004	11.974	1.032	1.032	0.000	0.000	0.000	0.000
86	86	GLN	0	-0.021	-0.036	12.463	1.509	1.509	0.000	0.000	0.000	0.000
87	87	GLN	0	-0.066	-0.027	15.723	1.059	1.059	0.000	0.000	0.000	0.000
88	88	ILE	0	0.043	0.017	16.028	0.715	0.715	0.000	0.000	0.000	0.000
89	89	GLN	0	0.078	0.037	18.002	0.411	0.411	0.000	0.000	0.000	0.000
90	90	LYS	1	0.878	0.929	18.728	15.058	15.058	0.000	0.000	0.000	0.000
91	91	VAL	0	-0.012	0.008	22.316	0.484	0.484	0.000	0.000	0.000	0.000
92	92	VAL	0	0.014	-0.001	21.033	0.441	0.441	0.000	0.000	0.000	0.000
93	93	MET	0	-0.041	0.002	23.130	0.391	0.391	0.000	0.000	0.000	0.000
94	94	ALA	0	0.001	0.014	25.633	0.356	0.356	0.000	0.000	0.000	0.000
95	95	LEU	0	-0.034	-0.023	26.629	0.331	0.331	0.000	0.000	0.000	0.000
96	96	GLY	0	0.024	0.002	27.870	0.294	0.294	0.000	0.000	0.000	0.000
97	97	ASP	-1	-0.964	-0.972	29.073	-9.050	-9.050	0.000	0.000	0.000	0.000
98	98	TYR	0	-0.009	-0.019	31.312	0.307	0.307	0.000	0.000	0.000	0.000
99	99	MET	0	-0.058	-0.019	30.690	0.138	0.138	0.000	0.000	0.000	0.000
100	100	GLY	0	0.006	0.014	31.042	0.065	0.065	0.000	0.000	0.000	0.000
101	101	ALA	0	-0.020	0.001	26.608	-0.129	-0.129	0.000	0.000	0.000	0.000
102	102	SER	0	-0.002	-0.012	24.402	-0.227	-0.227	0.000	0.000	0.000	0.000
103	103	CYS	0	-0.039	-0.032	19.202	-0.236	-0.236	0.000	0.000	0.000	0.000
104	104	HIS	0	0.009	-0.018	14.595	0.830	0.830	0.000	0.000	0.000	0.000
105	105	ALA	0	-0.009	-0.004	14.162	-0.143	-0.143	0.000	0.000	0.000	0.000
106	106	CYS	0	-0.063	-0.016	10.724	-0.051	-0.051	0.000	0.000	0.000	0.000
107	107	ILE	0	0.009	-0.002	8.772	-0.633	-0.633	0.000	0.000	0.000	0.000
109	109	GLY	0	0.008	-0.004	5.804	0.889	0.889	0.000	0.000	0.000	0.000
110	110	THR	0	0.002	-0.001	7.121	3.448	3.448	0.000	0.000	0.000	0.000
111	111	ASN	0	-0.008	-0.007	10.163	-0.968	-0.968	0.000	0.000	0.000	0.000
112	112	VAL	0	0.085	0.039	10.792	1.225	1.225	0.000	0.000	0.000	0.000
113	113	ARG	1	0.829	0.895	11.660	22.740	22.740	0.000	0.000	0.000	0.000
114	114	ALA	0	0.027	0.016	16.018	0.938	0.938	0.000	0.000	0.000	0.000
115	115	GLU	-1	-0.786	-0.868	12.353	-19.976	-19.976	0.000	0.000	0.000	0.000
116	116	VAL	0	0.019	-0.008	14.613	0.672	0.672	0.000	0.000	0.000	0.000
117	117	GLN	0	-0.028	-0.008	17.093	0.425	0.425	0.000	0.000	0.000	0.000
118	118	LYS	1	0.927	0.955	18.583	14.651	14.651	0.000	0.000	0.000	0.000
119	119	LEU	0	0.059	0.030	14.904	0.494	0.494	0.000	0.000	0.000	0.000
120	120	GLN	0	-0.025	-0.012	19.599	0.259	0.259	0.000	0.000	0.000	0.000
121	121	MET	0	-0.095	-0.030	21.986	0.553	0.553	0.000	0.000	0.000	0.000
122	122	GLU	-1	-0.960	-0.991	23.202	-11.672	-11.672	0.000	0.000	0.000	0.000
123	123	ALA	0	-0.045	-0.020	21.883	0.365	0.365	0.000	0.000	0.000	0.000
124	124	PRO	0	0.019	0.031	19.704	0.365	0.365	0.000	0.000	0.000	0.000
125	125	HIS	0	0.122	0.058	21.300	-0.653	-0.653	0.000	0.000	0.000	0.000
126	126	ILE	0	-0.013	-0.002	18.883	-0.039	-0.039	0.000	0.000	0.000	0.000
127	127	ILE	0	0.001	-0.001	13.698	-0.306	-0.306	0.000	0.000	0.000	0.000
128	128	VAL	0	0.003	0.008	14.020	0.034	0.034	0.000	0.000	0.000	0.000
129	129	GLY	0	0.014	-0.010	10.795	-0.300	-0.300	0.000	0.000	0.000	0.000
130	130	THR	0	-0.026	-0.017	6.225	1.159	1.159	0.000	0.000	0.000	0.000
131	131	PRO	0	0.020	-0.002	5.154	-0.030	-0.030	0.000	0.000	0.000	0.000
134	134	VAL	0	0.009	0.006	6.726	2.140	2.140	0.000	0.000	0.000	0.000
135	135	PHE	0	0.028	-0.003	5.667	1.857	1.857	0.000	0.000	0.000	0.000
136	136	ASP	-1	-0.781	-0.860	6.808	-25.358	-25.358	0.000	0.000	0.000	0.000
137	137	MET	0	-0.043	-0.017	8.246	2.242	2.242	0.000	0.000	0.000	0.000
138	138	LEU	0	-0.014	0.000	10.625	1.456	1.456	0.000	0.000	0.000	0.000
139	139	ASN	0	0.010	0.020	10.858	1.881	1.881	0.000	0.000	0.000	0.000
140	140	ARG	1	0.742	0.872	9.963	24.909	24.909	0.000	0.000	0.000	0.000
141	141	ARG	1	0.924	0.936	14.531	13.714	13.714	0.000	0.000	0.000	0.000
142	142	TYR	0	-0.016	-0.007	16.180	0.553	0.553	0.000	0.000	0.000	0.000
143	143	LEU	0	0.019	0.022	12.505	0.711	0.711	0.000	0.000	0.000	0.000
144	144	SER	0	0.036	0.010	16.462	0.239	0.239	0.000	0.000	0.000	0.000
145	145	PRO	0	0.054	0.008	17.701	0.378	0.378	0.000	0.000	0.000	0.000
146	146	LYS	1	0.896	0.970	19.658	11.382	11.382	0.000	0.000	0.000	0.000
147	147	TYR	0	0.011	-0.008	22.347	0.420	0.420	0.000	0.000	0.000	0.000
148	148	ILE	0	0.003	0.010	16.623	0.139	0.139	0.000	0.000	0.000	0.000
149	149	LYS	1	0.928	0.972	20.891	10.088	10.088	0.000	0.000	0.000	0.000
150	150	MET	0	0.007	0.029	21.843	0.215	0.215	0.000	0.000	0.000	0.000
151	151	PHE	0	0.003	-0.009	13.245	-0.461	-0.461	0.000	0.000	0.000	0.000
152	152	VAL	0	0.004	-0.002	17.051	0.513	0.513	0.000	0.000	0.000	0.000
153	153	LEU	0	0.014	0.018	13.252	-0.922	-0.922	0.000	0.000	0.000	0.000
154	154	ASP	-1	-0.768	-0.871	15.649	-12.814	-12.814	0.000	0.000	0.000	0.000
155	155	GLU	-1	-0.860	-0.931	15.295	-15.006	-15.006	0.000	0.000	0.000	0.000
156	156	ALA	0	0.006	-0.005	15.784	-0.611	-0.611	0.000	0.000	0.000	0.000
157	157	ASP	-1	-0.744	-0.817	16.272	-14.135	-14.135	0.000	0.000	0.000	0.000
158	158	GLU	-1	-0.821	-0.899	13.136	-17.083	-17.083	0.000	0.000	0.000	0.000
159	159	MET	0	-0.074	-0.007	9.187	-0.938	-0.938	0.000	0.000	0.000	0.000
160	160	LEU	0	-0.006	-0.011	12.520	-0.300	-0.300	0.000	0.000	0.000	0.000
161	161	SER	0	0.021	0.008	12.996	0.328	0.328	0.000	0.000	0.000	0.000
162	162	ARG	1	0.798	0.868	12.861	17.743	17.743	0.000	0.000	0.000	0.000
163	163	GLY	0	0.074	0.068	9.614	-0.670	-0.670	0.000	0.000	0.000	0.000
164	164	PHE	0	-0.057	-0.024	6.562	-2.307	-2.307	0.000	0.000	0.000	0.000
165	165	LYS	1	0.934	0.976	9.424	15.178	15.178	0.000	0.000	0.000	0.000
166	166	ASP	-1	-0.891	-0.948	9.940	-16.836	-16.836	0.000	0.000	0.000	0.000
168	168	ILE	0	-0.003	-0.012	7.218	0.456	0.456	0.000	0.000	0.000	0.000
169	169	TYR	0	0.004	0.000	10.272	1.136	1.136	0.000	0.000	0.000	0.000
170	170	ASP	-1	-0.853	-0.918	8.557	-19.058	-19.058	0.000	0.000	0.000	0.000
171	171	ILE	0	-0.065	-0.039	7.152	0.518	0.518	0.000	0.000	0.000	0.000
172	172	PHE	0	-0.025	-0.023	10.734	0.907	0.907	0.000	0.000	0.000	0.000
173	173	GLN	0	-0.018	-0.009	13.752	0.314	0.314	0.000	0.000	0.000	0.000
174	174	LYS	1	0.857	0.946	12.449	15.530	15.530	0.000	0.000	0.000	0.000
175	175	LEU	0	-0.011	0.001	14.561	0.499	0.499	0.000	0.000	0.000	0.000
176	176	ASN	0	0.029	0.020	17.077	0.507	0.507	0.000	0.000	0.000	0.000
177	177	SER	0	0.032	0.015	20.784	0.021	0.021	0.000	0.000	0.000	0.000
178	178	ASN	0	-0.075	-0.043	22.893	0.416	0.416	0.000	0.000	0.000	0.000
179	179	THR	0	-0.060	-0.026	19.211	0.147	0.147	0.000	0.000	0.000	0.000
180	180	GLN	0	-0.037	-0.029	22.385	-0.150	-0.150	0.000	0.000	0.000	0.000
181	181	VAL	0	0.000	-0.009	19.092	-0.543	-0.543	0.000	0.000	0.000	0.000
182	182	VAL	0	-0.013	-0.011	20.693	0.510	0.510	0.000	0.000	0.000	0.000
183	183	LEU	0	-0.019	-0.009	18.290	-0.623	-0.623	0.000	0.000	0.000	0.000
184	184	LEU	0	-0.012	-0.005	19.797	0.585	0.585	0.000	0.000	0.000	0.000
185	185	SER	0	-0.018	-0.037	19.588	-0.616	-0.616	0.000	0.000	0.000	0.000
186	186	ALA	0	0.040	0.027	21.506	0.489	0.489	0.000	0.000	0.000	0.000
187	187	THR	0	-0.030	-0.033	21.289	0.433	0.433	0.000	0.000	0.000	0.000
188	188	MET	0	-0.005	-0.001	21.957	-0.395	-0.395	0.000	0.000	0.000	0.000
189	189	PRO	0	0.040	0.035	21.099	0.457	0.457	0.000	0.000	0.000	0.000
190	190	SER	0	0.000	-0.010	24.149	0.047	0.047	0.000	0.000	0.000	0.000
191	191	ASP	-1	-0.871	-0.930	22.434	-11.148	-11.148	0.000	0.000	0.000	0.000
192	192	VAL	0	-0.018	-0.008	19.089	-0.179	-0.179	0.000	0.000	0.000	0.000
193	193	LEU	0	0.025	-0.012	21.400	0.069	0.069	0.000	0.000	0.000	0.000
194	194	GLU	-1	-0.875	-0.905	24.514	-9.581	-9.581	0.000	0.000	0.000	0.000
195	195	VAL	0	-0.006	-0.002	18.016	0.002	0.002	0.000	0.000	0.000	0.000
196	196	THR	0	-0.038	-0.040	20.355	-0.095	-0.095	0.000	0.000	0.000	0.000
197	197	LYS	1	0.861	0.917	21.997	9.458	9.458	0.000	0.000	0.000	0.000
198	198	LYS	1	0.867	0.963	15.765	14.293	14.293	0.000	0.000	0.000	0.000
199	199	PHE	0	-0.034	-0.035	14.479	-0.334	-0.334	0.000	0.000	0.000	0.000
200	200	MET	0	-0.079	-0.015	19.862	0.095	0.095	0.000	0.000	0.000	0.000
201	201	ARG	1	0.821	0.887	23.495	9.887	9.887	0.000	0.000	0.000	0.000
202	202	ASP	-1	-0.925	-0.969	27.057	-8.530	-8.530	0.000	0.000	0.000	0.000
203	203	PRO	0	-0.049	-0.008	26.768	0.043	0.043	0.000	0.000	0.000	0.000
204	204	ILE	0	0.024	0.016	28.914	0.316	0.316	0.000	0.000	0.000	0.000
205	205	ARG	1	0.960	0.966	28.842	8.744	8.744	0.000	0.000	0.000	0.000
206	206	ILE	0	-0.042	-0.022	29.114	0.353	0.353	0.000	0.000	0.000	0.000
207	207	LEU	0	-0.011	-0.009	27.619	-0.303	-0.303	0.000	0.000	0.000	0.000
208	208	VAL	0	-0.009	0.006	29.225	0.291	0.291	0.000	0.000	0.000	0.000
209	209	LYS	1	0.874	0.948	30.405	7.548	7.548	0.000	0.000	0.000	0.000
210	210	LYS	1	0.904	0.943	29.620	9.337	9.337	0.000	0.000	0.000	0.000
211	211	GLU	-1	-0.902	-0.954	32.266	-7.745	-7.745	0.000	0.000	0.000	0.000
212	212	GLU	-1	-0.902	-0.947	33.979	-7.883	-7.883	0.000	0.000	0.000	0.000
213	213	LEU	0	-0.027	-0.008	26.381	-0.095	-0.095	0.000	0.000	0.000	0.000
214	214	THR	0	-0.030	-0.025	29.704	-0.296	-0.296	0.000	0.000	0.000	0.000
215	215	LEU	0	-0.012	0.002	28.267	0.216	0.216	0.000	0.000	0.000	0.000
216	216	GLU	-1	-0.823	-0.906	31.650	-8.494	-8.494	0.000	0.000	0.000	0.000
217	217	GLY	0	-0.053	-0.023	34.237	0.141	0.141	0.000	0.000	0.000	0.000
218	218	ILE	0	-0.034	-0.015	27.859	0.011	0.011	0.000	0.000	0.000	0.000
219	219	ARG	1	0.831	0.914	31.885	8.560	8.560	0.000	0.000	0.000	0.000
220	220	GLN	0	0.032	0.023	30.415	-0.492	-0.492	0.000	0.000	0.000	0.000
221	221	PHE	0	0.067	0.021	32.323	0.277	0.277	0.000	0.000	0.000	0.000
222	222	TYR	0	-0.022	-0.013	32.014	-0.435	-0.435	0.000	0.000	0.000	0.000
223	223	ILE	0	0.071	0.043	31.602	0.292	0.292	0.000	0.000	0.000	0.000
224	224	ASN	0	0.016	0.004	32.944	-0.469	-0.469	0.000	0.000	0.000	0.000
225	225	VAL	0	0.011	-0.001	29.962	0.136	0.136	0.000	0.000	0.000	0.000
226	226	GLU	-1	-0.913	-0.947	33.440	-8.093	-8.093	0.000	0.000	0.000	0.000
227	227	ARG	1	0.911	0.930	31.302	8.708	8.708	0.000	0.000	0.000	0.000
228	228	GLU	-1	-0.688	-0.830	24.250	-12.295	-12.295	0.000	0.000	0.000	0.000
229	229	GLU	-1	-0.963	-0.993	28.074	-10.631	-10.631	0.000	0.000	0.000	0.000
230	230	TRP	0	-0.027	0.001	29.803	0.230	0.230	0.000	0.000	0.000	0.000
231	231	LYS	1	0.801	0.900	24.080	12.132	12.132	0.000	0.000	0.000	0.000
232	232	LEU	0	-0.003	-0.003	25.991	-0.021	-0.021	0.000	0.000	0.000	0.000
233	233	ASP	-1	-0.810	-0.907	28.057	-9.492	-9.492	0.000	0.000	0.000	0.000
234	234	THR	0	0.030	0.023	30.888	0.267	0.267	0.000	0.000	0.000	0.000
235	235	LEU	0	-0.053	-0.035	25.096	0.082	0.082	0.000	0.000	0.000	0.000
236	236	CYS	0	-0.072	-0.029	29.494	-0.106	-0.106	0.000	0.000	0.000	0.000
237	237	ASP	-1	-0.875	-0.922	31.367	-8.453	-8.453	0.000	0.000	0.000	0.000
238	238	LEU	0	-0.041	-0.026	29.774	0.134	0.134	0.000	0.000	0.000	0.000
239	239	TYR	0	0.072	0.031	27.199	-0.202	-0.202	0.000	0.000	0.000	0.000
240	240	GLU	-1	-0.901	-0.928	32.019	-8.339	-8.339	0.000	0.000	0.000	0.000
241	241	THR	0	-0.110	-0.061	32.918	0.076	0.076	0.000	0.000	0.000	0.000
242	242	LEU	0	-0.033	-0.027	27.517	-0.104	-0.104	0.000	0.000	0.000	0.000
243	243	THR	0	-0.039	-0.039	30.891	-0.146	-0.146	0.000	0.000	0.000	0.000
244	244	ILE	0	-0.034	-0.005	33.050	0.068	0.068	0.000	0.000	0.000	0.000
245	245	THR	0	-0.025	-0.007	29.755	0.002	0.002	0.000	0.000	0.000	0.000
246	246	GLN	0	-0.036	-0.011	23.763	0.227	0.227	0.000	0.000	0.000	0.000
247	247	ALA	0	-0.018	-0.020	25.682	0.133	0.133	0.000	0.000	0.000	0.000
248	248	VAL	0	-0.016	0.000	19.391	-0.359	-0.359	0.000	0.000	0.000	0.000
249	249	ILE	0	0.012	0.003	21.143	0.429	0.429	0.000	0.000	0.000	0.000
250	250	PHE	0	0.013	0.004	16.541	-0.671	-0.671	0.000	0.000	0.000	0.000
251	251	ILE	0	-0.035	-0.020	16.980	0.702	0.702	0.000	0.000	0.000	0.000
252	252	ASN	0	0.019	-0.010	16.737	-0.894	-0.894	0.000	0.000	0.000	0.000
253	253	THR	0	-0.024	-0.001	14.115	-0.744	-0.744	0.000	0.000	0.000	0.000
254	254	ARG	1	0.950	0.945	7.333	32.313	32.313	0.000	0.000	0.000	0.000
255	255	ARG	1	0.957	0.965	11.139	21.935	21.935	0.000	0.000	0.000	0.000
256	256	LYS	1	0.811	0.901	14.343	14.512	14.512	0.000	0.000	0.000	0.000
257	257	VAL	0	0.029	0.015	14.173	0.786	0.786	0.000	0.000	0.000	0.000
258	258	ASP	-1	-0.965	-0.967	13.953	-17.976	-17.976	0.000	0.000	0.000	0.000
259	259	TRP	0	0.042	0.025	15.851	0.867	0.867	0.000	0.000	0.000	0.000
260	260	LEU	0	-0.014	-0.017	19.438	0.620	0.620	0.000	0.000	0.000	0.000
261	261	THR	0	-0.031	-0.034	17.634	0.488	0.488	0.000	0.000	0.000	0.000
262	262	GLU	-1	-0.913	-0.945	20.048	-12.541	-12.541	0.000	0.000	0.000	0.000
263	263	LYS	1	0.889	0.948	21.701	12.402	12.402	0.000	0.000	0.000	0.000
264	264	MET	0	-0.007	-0.016	23.714	0.594	0.594	0.000	0.000	0.000	0.000
265	265	HIS	0	-0.011	0.006	23.291	0.251	0.251	0.000	0.000	0.000	0.000
266	266	ALA	0	0.015	0.013	25.238	0.387	0.387	0.000	0.000	0.000	0.000
267	267	ARG	1	0.739	0.842	27.605	10.436	10.436	0.000	0.000	0.000	0.000
268	268	ASP	-1	-0.915	-0.937	28.726	-9.714	-9.714	0.000	0.000	0.000	0.000
269	269	PHE	0	-0.003	-0.008	27.386	0.193	0.193	0.000	0.000	0.000	0.000
270	270	THR	0	-0.059	-0.029	26.537	-0.388	-0.388	0.000	0.000	0.000	0.000
271	271	VAL	0	-0.030	-0.009	22.374	-0.063	-0.063	0.000	0.000	0.000	0.000
272	272	SER	0	-0.011	0.001	19.532	-0.405	-0.405	0.000	0.000	0.000	0.000
273	273	ALA	0	0.017	-0.012	16.776	0.282	0.282	0.000	0.000	0.000	0.000
274	274	MET	0	-0.040	-0.005	12.366	-1.190	-1.190	0.000	0.000	0.000	0.000
275	275	HIS	0	0.036	0.003	9.621	-1.606	-1.606	0.000	0.000	0.000	0.000
276	276	GLY	0	0.020	-0.015	6.340	0.176	0.176	0.000	0.000	0.000	0.000
278	278	MET	0	-0.055	0.005	5.954	-0.762	-0.762	0.000	0.000	0.000	0.000
279	279	ASP	-1	-0.815	-0.908	6.564	-33.345	-33.345	0.000	0.000	0.000	0.000
280	280	GLN	0	0.026	0.017	7.488	-0.639	-0.639	0.000	0.000	0.000	0.000
281	281	LYS	1	0.831	0.892	9.158	27.868	27.868	0.000	0.000	0.000	0.000
282	282	GLU	-1	-0.903	-0.944	11.621	-17.876	-17.876	0.000	0.000	0.000	0.000
283	283	ARG	1	0.789	0.845	5.944	31.676	31.676	0.000	0.000	0.000	0.000
284	284	ASP	-1	-0.946	-0.968	12.092	-16.649	-16.649	0.000	0.000	0.000	0.000
285	285	VAL	0	-0.049	-0.012	14.633	1.448	1.448	0.000	0.000	0.000	0.000
286	286	ILE	0	0.032	0.001	13.700	0.949	0.949	0.000	0.000	0.000	0.000
287	287	MET	0	0.003	0.003	14.694	0.960	0.960	0.000	0.000	0.000	0.000
288	288	ARG	1	0.872	0.946	17.442	14.957	14.957	0.000	0.000	0.000	0.000
289	289	GLU	-1	-0.804	-0.885	20.217	-12.056	-12.056	0.000	0.000	0.000	0.000
290	290	PHE	0	0.041	0.034	20.206	0.556	0.556	0.000	0.000	0.000	0.000
291	291	ARG	1	0.822	0.892	18.619	14.417	14.417	0.000	0.000	0.000	0.000
292	292	SER	0	-0.066	-0.047	23.178	0.549	0.549	0.000	0.000	0.000	0.000
293	293	GLY	0	-0.015	0.000	25.359	0.444	0.444	0.000	0.000	0.000	0.000
294	294	SER	0	-0.093	-0.038	25.229	0.484	0.484	0.000	0.000	0.000	0.000
295	295	SER	0	0.019	0.009	21.789	0.257	0.257	0.000	0.000	0.000	0.000
296	296	ARG	1	0.884	0.916	24.837	10.250	10.250	0.000	0.000	0.000	0.000
297	297	VAL	0	0.052	0.025	24.497	0.009	0.009	0.000	0.000	0.000	0.000
298	298	LEU	0	-0.018	0.004	17.252	-0.291	-0.291	0.000	0.000	0.000	0.000
299	299	ILE	0	0.035	0.016	17.927	0.120	0.120	0.000	0.000	0.000	0.000
300	300	THR	0	-0.029	-0.038	14.850	-1.141	-1.141	0.000	0.000	0.000	0.000
301	301	THR	0	0.045	0.018	11.022	1.085	1.085	0.000	0.000	0.000	0.000
302	302	ASP	-1	-0.791	-0.888	13.441	-16.381	-16.381	0.000	0.000	0.000	0.000
303	303	LEU	0	-0.028	0.011	8.415	0.207	0.207	0.000	0.000	0.000	0.000
304	304	LEU	0	-0.002	-0.014	11.528	0.347	0.347	0.000	0.000	0.000	0.000
305	305	ALA	0	0.014	0.005	14.765	1.092	1.092	0.000	0.000	0.000	0.000
306	306	ARG	1	0.758	0.840	14.375	15.976	15.976	0.000	0.000	0.000	0.000
307	307	GLY	0	0.014	0.004	15.963	-0.483	-0.483	0.000	0.000	0.000	0.000
308	308	ILE	0	-0.044	-0.003	14.517	0.500	0.500	0.000	0.000	0.000	0.000
309	309	ASP	-1	-0.858	-0.916	18.524	-10.979	-10.979	0.000	0.000	0.000	0.000
310	310	VAL	0	0.019	-0.002	21.115	-0.213	-0.213	0.000	0.000	0.000	0.000
311	311	GLN	0	0.005	-0.001	23.919	0.219	0.219	0.000	0.000	0.000	0.000
312	312	GLN	0	0.026	0.006	27.735	0.067	0.067	0.000	0.000	0.000	0.000
313	313	VAL	0	0.001	0.029	23.518	0.164	0.164	0.000	0.000	0.000	0.000
314	314	SER	0	-0.026	-0.001	26.936	0.200	0.200	0.000	0.000	0.000	0.000
315	315	LEU	0	0.045	0.017	28.232	0.070	0.070	0.000	0.000	0.000	0.000
316	316	VAL	0	-0.014	-0.010	23.279	-0.434	-0.434	0.000	0.000	0.000	0.000
317	317	ILE	0	0.002	0.001	24.584	0.405	0.405	0.000	0.000	0.000	0.000
318	318	ASN	0	-0.009	-0.001	23.100	-1.155	-1.155	0.000	0.000	0.000	0.000
319	319	TYR	0	0.051	0.018	22.428	0.520	0.520	0.000	0.000	0.000	0.000
320	320	ASP	-1	-0.756	-0.862	20.258	-13.712	-13.712	0.000	0.000	0.000	0.000
321	321	LEU	0	0.041	0.017	22.958	-0.137	-0.137	0.000	0.000	0.000	0.000
322	322	PRO	0	-0.004	0.031	20.310	-0.284	-0.284	0.000	0.000	0.000	0.000
323	323	THR	0	0.016	-0.012	20.881	0.429	0.429	0.000	0.000	0.000	0.000
324	324	ASN	0	0.003	0.004	19.297	0.383	0.383	0.000	0.000	0.000	0.000
325	325	ARG	1	0.967	0.981	21.338	10.993	10.993	0.000	0.000	0.000	0.000
326	326	GLU	-1	-0.832	-0.934	20.911	-11.945	-11.945	0.000	0.000	0.000	0.000
327	327	ASN	0	-0.047	-0.035	16.929	0.370	0.370	0.000	0.000	0.000	0.000
328	328	TYR	0	0.004	-0.008	19.873	-0.167	-0.167	0.000	0.000	0.000	0.000
329	329	ILE	0	0.019	0.011	23.122	0.139	0.139	0.000	0.000	0.000	0.000
330	330	HIS	0	-0.077	-0.043	19.279	0.151	0.151	0.000	0.000	0.000	0.000
331	331	ARG	1	0.856	0.906	17.856	14.765	14.765	0.000	0.000	0.000	0.000
332	332	ILE	0	0.024	0.011	21.056	0.109	0.109	0.000	0.000	0.000	0.000
333	333	GLY	0	-0.008	0.011	23.958	0.306	0.306	0.000	0.000	0.000	0.000
334	334	ARG	1	0.761	0.869	18.772	13.489	13.489	0.000	0.000	0.000	0.000
335	335	GLY	0	0.017	0.012	22.816	0.085	0.085	0.000	0.000	0.000	0.000
336	336	GLY	0	-0.004	-0.009	26.484	0.035	0.035	0.000	0.000	0.000	0.000
337	337	ARG	1	0.799	0.927	24.436	11.504	11.504	0.000	0.000	0.000	0.000
338	338	PHE	0	-0.024	-0.025	28.153	0.304	0.304	0.000	0.000	0.000	0.000
339	339	GLY	0	-0.002	0.003	30.792	0.285	0.285	0.000	0.000	0.000	0.000
340	340	ARG	1	0.921	0.963	32.997	8.929	8.929	0.000	0.000	0.000	0.000
341	341	LYS	1	0.956	0.977	32.604	7.570	7.570	0.000	0.000	0.000	0.000
342	342	GLY	0	0.091	0.044	30.586	-0.088	-0.088	0.000	0.000	0.000	0.000
343	343	VAL	0	-0.054	-0.009	30.407	0.296	0.296	0.000	0.000	0.000	0.000
344	344	ALA	0	0.034	0.013	27.788	-0.388	-0.388	0.000	0.000	0.000	0.000
345	345	ILE	0	0.011	0.011	28.515	0.333	0.333	0.000	0.000	0.000	0.000
346	346	ASN	0	0.000	-0.008	27.730	-0.796	-0.796	0.000	0.000	0.000	0.000
347	347	MET	0	-0.009	0.006	27.517	0.315	0.315	0.000	0.000	0.000	0.000
348	348	VAL	0	-0.025	-0.012	28.443	-0.255	-0.255	0.000	0.000	0.000	0.000
349	349	THR	0	-0.023	-0.023	28.932	0.339	0.339	0.000	0.000	0.000	0.000
350	350	GLU	-1	-0.866	-0.944	31.454	-8.326	-8.326	0.000	0.000	0.000	0.000
351	351	GLU	-1	-0.945	-0.957	29.013	-9.540	-9.540	0.000	0.000	0.000	0.000
352	352	ASP	-1	-0.857	-0.898	26.959	-11.379	-11.379	0.000	0.000	0.000	0.000
353	353	LYS	1	0.841	0.903	29.556	8.354	8.354	0.000	0.000	0.000	0.000
354	354	ARG	1	0.863	0.917	31.860	9.076	9.076	0.000	0.000	0.000	0.000
355	355	THR	0	0.050	0.020	25.833	-0.020	-0.020	0.000	0.000	0.000	0.000
356	356	LEU	0	0.022	0.020	29.273	-0.082	-0.082	0.000	0.000	0.000	0.000
357	357	ARG	1	0.873	0.932	30.789	8.170	8.170	0.000	0.000	0.000	0.000
358	358	ASP	-1	-0.864	-0.922	29.998	-9.368	-9.368	0.000	0.000	0.000	0.000
359	359	ILE	0	-0.032	-0.016	25.795	0.037	0.037	0.000	0.000	0.000	0.000
360	360	GLU	-1	-0.809	-0.886	29.741	-8.287	-8.287	0.000	0.000	0.000	0.000
361	361	THR	0	-0.078	-0.052	33.171	0.183	0.183	0.000	0.000	0.000	0.000
362	362	PHE	0	-0.053	-0.020	27.294	0.191	0.191	0.000	0.000	0.000	0.000
363	363	TYR	0	-0.014	-0.039	26.046	-0.132	-0.132	0.000	0.000	0.000	0.000
364	364	ASN	0	-0.035	-0.007	32.116	-0.054	-0.054	0.000	0.000	0.000	0.000
365	365	THR	0	0.059	0.053	31.994	0.124	0.124	0.000	0.000	0.000	0.000
366	366	SER	0	-0.047	-0.036	35.235	0.160	0.160	0.000	0.000	0.000	0.000
367	367	ILE	0	-0.087	-0.030	31.000	-0.058	-0.058	0.000	0.000	0.000	0.000
368	368	GLU	-1	-0.892	-0.946	35.186	-7.457	-7.457	0.000	0.000	0.000	0.000
369	369	GLU	-1	-0.976	-0.998	36.576	-7.956	-7.956	0.000	0.000	0.000	0.000
370	370	MET	0	-0.049	-0.019	35.128	0.023	0.023	0.000	0.000	0.000	0.000
371	371	PRO	0	-0.015	0.003	37.679	0.140	0.140	0.000	0.000	0.000	0.000
372	372	LEU	0	0.024	0.001	39.954	-0.107	-0.107	0.000	0.000	0.000	0.000
373	373	ASN	0	-0.068	-0.042	41.549	0.010	0.010	0.000	0.000	0.000	0.000
374	374	VAL	0	0.015	0.005	35.722	-0.012	-0.012	0.000	0.000	0.000	0.000
375	375	ALA	0	0.032	0.002	36.850	-0.114	-0.114	0.000	0.000	0.000	0.000
376	376	ASP	-1	-0.865	-0.917	37.881	-7.246	-7.246	0.000	0.000	0.000	0.000
377	377	LEU	0	-0.127	-0.060	37.839	0.103	0.103	0.000	0.000	0.000	0.000
378	378	ILE	-1	-0.954	-0.959	33.235	-8.460	-8.460	0.000	0.000	0.000	0.000
379	379	A	0	-0.358	-0.301	20.129	0.074	0.074	0.000	0.000	0.000	0.000
380	379	A	-1	-0.537	-0.623	15.273	-16.080	-16.080	0.000	0.000	0.000	0.000
381	380	G	0	-0.363	-0.305	17.487	-0.351	-0.351	0.000	0.000	0.000	0.000
382	380	G	-1	-0.520	-0.640	14.053	-17.435	-17.435	0.000	0.000	0.000	0.000
383	381	A	0	-0.357	-0.300	15.549	-0.189	-0.189	0.000	0.000	0.000	0.000
384	381	A	-1	-0.612	-0.674	13.338	-19.765	-19.765	0.000	0.000	0.000	0.000
385	382	G	0	-0.366	-0.313	12.503	-0.716	-0.716	0.000	0.000	0.000	0.000
386	382	G	-1	-0.538	-0.659	11.154	-22.947	-22.947	0.000	0.000	0.000	0.000
387	383	A	0	-0.333	-0.298	9.245	-0.430	-0.430	0.000	0.000	0.000	0.000
388	383	A	-1	-0.478	-0.587	6.578	-28.733	-28.733	0.000	0.000	0.000	0.000
389	384	G	0	-0.394	-0.334	5.933	-3.470	-3.470	0.000	0.000	0.000	0.000
396	387	G	-1	-0.564	-0.655	7.102	-22.312	-22.312	0.000	0.000	0.000	0.000

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