FMO DATABASE

FMODB ID: RM518

Calculation Name: 2XBB-A-Xray547

Preferred Name: E3 ubiquitin-protein ligase NEDD4

Target Type: SINGLE PROTEIN

Ligand Name:

Ligand 3-letter code:

Ligand of Interest (LOI):

Structure Source: PDB

PDB ID: 2XBB

Chain ID: A

ChEMBL ID: CHEMBL3621023

UniProt ID: P46934

Base Structure: X-ray

Registration Date: 2025-10-04

Reference: Sci Data 11, 1164 (2024).

DOI: https://doi.org/10.1038/s41597-024-03999-2

Apendix: None

IFIE MAP

IFIE Diagram

Modeling method

Optimization	MOE:Amber10:EHT
Restraint	OptAll
Protonation	MOE:Protonate 3D
Complement	MOE:Homology Modeling
Water	No
Procedure	Manual calculation
Remarks	ac.sh, 23 2024 Oct; Missing atoms/residues were imported from a 100% homology model, which was constructed by MOE.

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	375
LigandResidueName
LigandFragmentNumber	0
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23 (BINDS Ver. 1) / 20230922

Total energy (hartree)

FMO2-HF: Electronic energy	-6487980.812329
FMO2-HF: Nuclear repulsion	6330877.370982
FMO2-HF: Total energy	-157103.441348
FMO2-MP2: Total energy	-157560.725992

3D Structure Molmil

Snapshot

Ligand structure

Ligand Interaction

Ligand binding energy

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.
N/A	N/A	N/A	N/A	N/A	N/A

Interactive mode: IFIE and PIEDA for fragment #1(A:520:ARG)

Summations of interaction energy for fragment #1(A:520:ARG)

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.
13.914	10.659	23.041	-8.893	-10.893	0.084

Interaction energy analysis for fragmet #1(A:520:ARG)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 1 / q_Mulliken : 0.855 / q_NPA : 0.934

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.	ChainChain species.	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].
3	A	522	TYR	0	0.103	0.051	3.681	-1.653	-0.068	-0.008	-0.699	-0.878	-0.002
5	A	524	ARG	1	0.842	0.895	1.924	7.437	2.343	23.050	-8.142	-9.814	0.086
6	A	525	LYS	1	0.803	0.886	4.506	51.225	51.479	-0.001	-0.052	-0.201	0.000
4	A	523	LYS	1	0.904	0.959	4.812	29.005	29.005	0.000	0.000	0.000	0.000
7	A	526	TYR	0	0.080	0.042	6.534	4.270	4.270	0.000	0.000	0.000	0.000
8	A	527	GLU	-1	-0.851	-0.922	7.300	-22.696	-22.696	0.000	0.000	0.000	0.000
9	A	528	PHE	0	-0.057	-0.032	7.917	2.297	2.297	0.000	0.000	0.000	0.000
10	A	529	PHE	0	0.039	0.008	9.681	2.065	2.065	0.000	0.000	0.000	0.000
11	A	530	ARG	1	0.884	0.940	12.075	18.640	18.640	0.000	0.000	0.000	0.000
12	A	531	ARG	1	0.945	0.988	8.773	24.053	24.053	0.000	0.000	0.000	0.000
13	A	532	LYS	1	0.909	0.957	13.049	20.426	20.426	0.000	0.000	0.000	0.000
14	A	533	LEU	0	-0.008	0.009	15.506	0.971	0.971	0.000	0.000	0.000	0.000
15	A	534	LYS	1	0.935	0.971	18.102	14.682	14.682	0.000	0.000	0.000	0.000
16	A	535	LYS	1	1.001	1.027	21.298	12.557	12.557	0.000	0.000	0.000	0.000
17	A	536	GLN	0	-0.001	-0.021	23.673	0.053	0.053	0.000	0.000	0.000	0.000
18	A	537	ASN	0	-0.080	-0.049	26.319	-0.012	-0.012	0.000	0.000	0.000	0.000
19	A	538	ASP	-1	-0.805	-0.880	29.938	-9.640	-9.640	0.000	0.000	0.000	0.000
20	A	539	ILE	0	-0.032	-0.008	29.757	0.189	0.189	0.000	0.000	0.000	0.000
21	A	540	PRO	0	0.013	0.006	33.098	0.019	0.019	0.000	0.000	0.000	0.000
22	A	541	ASN	0	-0.002	-0.009	31.581	-0.240	-0.240	0.000	0.000	0.000	0.000
23	A	542	LYS	1	0.900	0.940	31.467	8.362	8.362	0.000	0.000	0.000	0.000
24	A	543	PHE	0	-0.008	-0.004	31.750	0.186	0.186	0.000	0.000	0.000	0.000
25	A	544	GLU	-1	-0.861	-0.925	33.445	-7.827	-7.827	0.000	0.000	0.000	0.000
26	A	545	MET	0	-0.027	-0.006	33.832	-0.041	-0.041	0.000	0.000	0.000	0.000
27	A	546	LYS	1	0.811	0.914	37.411	7.718	7.718	0.000	0.000	0.000	0.000
28	A	547	LEU	0	-0.015	0.001	35.702	0.014	0.014	0.000	0.000	0.000	0.000
29	A	548	ARG	1	0.867	0.902	40.325	7.204	7.204	0.000	0.000	0.000	0.000
30	A	549	ARG	1	0.730	0.786	37.187	8.022	8.022	0.000	0.000	0.000	0.000
31	A	550	ALA	0	-0.015	0.000	41.011	-0.093	-0.093	0.000	0.000	0.000	0.000
32	A	551	THR	0	-0.023	-0.027	42.608	0.105	0.105	0.000	0.000	0.000	0.000
33	A	552	VAL	0	0.013	0.020	36.912	-0.062	-0.062	0.000	0.000	0.000	0.000
34	A	553	LEU	0	0.065	0.051	36.296	-0.207	-0.207	0.000	0.000	0.000	0.000
35	A	554	GLU	-1	-0.761	-0.871	38.213	-7.782	-7.782	0.000	0.000	0.000	0.000
36	A	555	ASP	-1	-0.792	-0.857	40.226	-7.468	-7.468	0.000	0.000	0.000	0.000
37	A	556	SER	0	-0.016	-0.035	34.841	-0.102	-0.102	0.000	0.000	0.000	0.000
38	A	557	TYR	0	0.009	-0.004	36.428	-0.090	-0.090	0.000	0.000	0.000	0.000
39	A	558	ARG	1	0.930	0.954	37.552	7.334	7.334	0.000	0.000	0.000	0.000
40	A	559	ARG	1	0.791	0.906	36.679	8.450	8.450	0.000	0.000	0.000	0.000
41	A	560	ILE	0	0.005	-0.016	31.950	-0.055	-0.055	0.000	0.000	0.000	0.000
42	A	561	MET	0	-0.027	0.006	33.111	-0.201	-0.201	0.000	0.000	0.000	0.000
43	A	562	GLY	0	0.002	0.019	36.974	0.105	0.105	0.000	0.000	0.000	0.000
44	A	563	VAL	0	-0.061	-0.020	33.955	0.138	0.138	0.000	0.000	0.000	0.000
45	A	564	LYS	1	0.989	0.991	35.822	8.101	8.101	0.000	0.000	0.000	0.000
46	A	565	ARG	1	0.826	0.891	31.681	9.322	9.322	0.000	0.000	0.000	0.000
47	A	566	ALA	0	0.092	0.037	28.965	0.101	0.101	0.000	0.000	0.000	0.000
48	A	567	ASP	-1	-0.784	-0.873	28.309	-11.182	-11.182	0.000	0.000	0.000	0.000
49	A	568	PHE	0	0.002	-0.006	29.627	-0.096	-0.096	0.000	0.000	0.000	0.000
50	A	569	LEU	0	0.004	0.010	29.001	0.074	0.074	0.000	0.000	0.000	0.000
51	A	570	LYS	1	0.840	0.934	24.389	11.743	11.743	0.000	0.000	0.000	0.000
52	A	571	ALA	0	-0.004	0.019	26.537	-0.237	-0.237	0.000	0.000	0.000	0.000
53	A	572	ARG	1	0.931	0.965	27.688	9.968	9.968	0.000	0.000	0.000	0.000
54	A	573	LEU	0	0.025	0.020	27.602	0.413	0.413	0.000	0.000	0.000	0.000
55	A	574	TRP	0	-0.039	-0.027	30.315	-0.061	-0.061	0.000	0.000	0.000	0.000
56	A	575	ILE	0	0.024	0.011	31.648	0.163	0.163	0.000	0.000	0.000	0.000
57	A	576	GLU	-1	-0.800	-0.881	35.148	-7.634	-7.634	0.000	0.000	0.000	0.000
58	A	577	PHE	0	0.057	0.026	34.509	0.035	0.035	0.000	0.000	0.000	0.000
59	A	578	ASP	-1	-0.798	-0.902	39.777	-7.430	-7.430	0.000	0.000	0.000	0.000
60	A	579	GLY	0	-0.017	-0.001	42.838	0.180	0.180	0.000	0.000	0.000	0.000
61	A	580	GLU	-1	-0.853	-0.892	39.327	-7.786	-7.786	0.000	0.000	0.000	0.000
62	A	581	LYS	1	0.837	0.889	40.058	7.191	7.191	0.000	0.000	0.000	0.000
63	A	582	GLY	0	-0.010	-0.006	38.994	0.075	0.075	0.000	0.000	0.000	0.000
64	A	583	LEU	0	0.027	0.027	35.373	-0.108	-0.108	0.000	0.000	0.000	0.000
65	A	584	ASP	-1	-0.810	-0.914	29.343	-10.195	-10.195	0.000	0.000	0.000	0.000
66	A	585	TYR	0	-0.012	-0.004	30.512	-0.056	-0.056	0.000	0.000	0.000	0.000
67	A	586	GLY	0	-0.028	-0.003	27.299	-0.192	-0.192	0.000	0.000	0.000	0.000
68	A	587	GLY	0	0.051	0.013	27.624	-0.300	-0.300	0.000	0.000	0.000	0.000
69	A	588	VAL	0	0.035	0.016	29.503	-0.060	-0.060	0.000	0.000	0.000	0.000
70	A	589	ALA	0	-0.031	-0.019	28.244	0.004	0.004	0.000	0.000	0.000	0.000
71	A	590	ARG	1	0.806	0.898	23.473	11.553	11.553	0.000	0.000	0.000	0.000
72	A	591	GLU	-1	-0.789	-0.865	27.922	-8.889	-8.889	0.000	0.000	0.000	0.000
73	A	592	TRP	0	-0.012	-0.031	28.962	-0.105	-0.105	0.000	0.000	0.000	0.000
74	A	593	PHE	0	0.001	-0.010	26.357	0.008	0.008	0.000	0.000	0.000	0.000
75	A	594	PHE	0	0.022	0.038	28.873	-0.105	-0.105	0.000	0.000	0.000	0.000
76	A	595	LEU	0	0.021	0.001	29.934	0.097	0.097	0.000	0.000	0.000	0.000
77	A	596	ILE	0	-0.031	-0.010	30.625	0.165	0.165	0.000	0.000	0.000	0.000
78	A	597	SER	0	-0.028	-0.031	28.404	-0.124	-0.124	0.000	0.000	0.000	0.000
79	A	598	LYS	1	0.864	0.923	30.691	10.264	10.264	0.000	0.000	0.000	0.000
80	A	599	GLU	-1	-0.822	-0.885	33.717	-8.181	-8.181	0.000	0.000	0.000	0.000
81	A	600	MET	0	-0.076	-0.024	29.107	0.106	0.106	0.000	0.000	0.000	0.000
82	A	601	PHE	0	-0.032	-0.026	27.736	-0.146	-0.146	0.000	0.000	0.000	0.000
83	A	602	ASN	0	0.015	0.023	33.122	0.035	0.035	0.000	0.000	0.000	0.000
84	A	603	PRO	0	0.018	-0.005	35.833	0.137	0.137	0.000	0.000	0.000	0.000
85	A	604	TYR	0	-0.041	-0.011	37.998	0.144	0.144	0.000	0.000	0.000	0.000
86	A	605	TYR	0	-0.077	-0.052	38.342	0.253	0.253	0.000	0.000	0.000	0.000
87	A	606	GLY	0	0.020	0.017	39.313	0.012	0.012	0.000	0.000	0.000	0.000
88	A	607	LEU	0	-0.012	-0.002	34.937	-0.085	-0.085	0.000	0.000	0.000	0.000
89	A	608	PHE	0	-0.006	-0.032	28.674	-0.343	-0.343	0.000	0.000	0.000	0.000
90	A	609	GLU	-1	-0.812	-0.891	33.204	-8.884	-8.884	0.000	0.000	0.000	0.000
91	A	610	TYR	0	0.000	-0.012	32.161	-0.441	-0.441	0.000	0.000	0.000	0.000
92	A	611	SER	0	-0.030	-0.027	29.488	0.312	0.312	0.000	0.000	0.000	0.000
93	A	612	ALA	0	0.028	0.013	31.775	0.075	0.075	0.000	0.000	0.000	0.000
94	A	613	THR	0	-0.005	-0.014	34.417	0.008	0.008	0.000	0.000	0.000	0.000
95	A	614	ASP	-1	-0.905	-0.944	35.207	-8.861	-8.861	0.000	0.000	0.000	0.000
96	A	615	ASN	0	-0.051	-0.004	30.598	-0.273	-0.273	0.000	0.000	0.000	0.000
97	A	616	TYR	0	0.019	-0.002	25.723	0.041	0.041	0.000	0.000	0.000	0.000
98	A	617	THR	0	-0.030	-0.002	25.522	0.080	0.080	0.000	0.000	0.000	0.000
99	A	618	LEU	0	0.008	0.008	27.760	0.363	0.363	0.000	0.000	0.000	0.000
100	A	619	GLN	0	-0.022	-0.025	27.826	-0.932	-0.932	0.000	0.000	0.000	0.000
101	A	620	ILE	0	-0.028	-0.016	29.117	0.191	0.191	0.000	0.000	0.000	0.000
102	A	621	ASN	0	0.054	0.039	31.868	0.016	0.016	0.000	0.000	0.000	0.000
103	A	622	PRO	0	0.014	0.012	35.094	0.005	0.005	0.000	0.000	0.000	0.000
104	A	623	ASN	0	-0.015	-0.024	36.597	0.193	0.193	0.000	0.000	0.000	0.000
105	A	624	SER	0	0.011	-0.020	36.379	0.120	0.120	0.000	0.000	0.000	0.000
106	A	625	GLY	0	-0.061	-0.037	38.979	0.114	0.114	0.000	0.000	0.000	0.000
107	A	626	LEU	0	-0.028	-0.012	41.515	0.192	0.192	0.000	0.000	0.000	0.000
108	A	627	CYS	0	-0.073	-0.007	41.368	0.119	0.119	0.000	0.000	0.000	0.000
109	A	628	ASN	0	0.027	0.003	41.626	0.017	0.017	0.000	0.000	0.000	0.000
110	A	629	GLU	-1	-0.852	-0.922	42.095	-7.198	-7.198	0.000	0.000	0.000	0.000
111	A	630	ASP	-1	-0.924	-0.961	41.407	-7.612	-7.612	0.000	0.000	0.000	0.000
112	A	631	HIS	0	0.039	0.031	37.864	-0.467	-0.467	0.000	0.000	0.000	0.000
113	A	632	LEU	0	-0.018	-0.011	35.289	-0.283	-0.283	0.000	0.000	0.000	0.000
114	A	633	SER	0	-0.039	-0.017	34.892	-0.268	-0.268	0.000	0.000	0.000	0.000
115	A	634	TYR	0	0.012	-0.014	35.354	-0.282	-0.282	0.000	0.000	0.000	0.000
116	A	635	PHE	0	0.010	0.003	31.461	-0.323	-0.323	0.000	0.000	0.000	0.000
117	A	636	LYS	1	0.801	0.894	30.729	9.426	9.426	0.000	0.000	0.000	0.000
118	A	637	PHE	0	-0.011	-0.025	30.842	-0.301	-0.301	0.000	0.000	0.000	0.000
119	A	638	ILE	0	0.055	0.008	28.720	-0.307	-0.307	0.000	0.000	0.000	0.000
120	A	639	GLY	0	0.017	0.011	26.864	-0.457	-0.457	0.000	0.000	0.000	0.000
121	A	640	ARG	1	0.725	0.824	26.316	9.438	9.438	0.000	0.000	0.000	0.000
122	A	641	VAL	0	0.001	0.002	27.168	-0.364	-0.364	0.000	0.000	0.000	0.000
123	A	642	ALA	0	0.046	0.023	23.835	-0.373	-0.373	0.000	0.000	0.000	0.000
124	A	643	GLY	0	-0.006	-0.008	22.629	-0.680	-0.680	0.000	0.000	0.000	0.000
125	A	644	MET	0	-0.056	-0.034	22.747	-0.300	-0.300	0.000	0.000	0.000	0.000
126	A	645	ALA	0	0.007	0.017	23.076	-0.122	-0.122	0.000	0.000	0.000	0.000
127	A	646	VAL	0	0.034	0.015	17.274	-0.449	-0.449	0.000	0.000	0.000	0.000
128	A	647	TYR	0	-0.067	-0.045	18.775	-0.565	-0.565	0.000	0.000	0.000	0.000
129	A	648	HIS	0	-0.070	-0.058	20.735	-0.373	-0.373	0.000	0.000	0.000	0.000
130	A	649	GLY	0	-0.070	-0.021	18.904	0.189	0.189	0.000	0.000	0.000	0.000
131	A	650	LYS	1	0.832	0.922	19.775	12.625	12.625	0.000	0.000	0.000	0.000
132	A	651	LEU	0	-0.029	-0.007	18.459	-0.633	-0.633	0.000	0.000	0.000	0.000
133	A	652	LEU	0	0.002	-0.001	22.564	0.677	0.677	0.000	0.000	0.000	0.000
134	A	653	ASP	-1	-0.832	-0.922	24.623	-11.606	-11.606	0.000	0.000	0.000	0.000
135	A	654	GLY	0	0.027	0.001	25.951	0.590	0.590	0.000	0.000	0.000	0.000
136	A	655	PHE	0	-0.005	0.009	20.792	-0.485	-0.485	0.000	0.000	0.000	0.000
137	A	656	PHE	0	0.011	0.008	23.235	0.506	0.506	0.000	0.000	0.000	0.000
138	A	657	ILE	0	0.017	0.014	23.819	-0.499	-0.499	0.000	0.000	0.000	0.000
139	A	658	ARG	1	0.961	0.964	16.739	17.211	17.211	0.000	0.000	0.000	0.000
140	A	659	PRO	0	0.029	-0.002	20.895	-0.670	-0.670	0.000	0.000	0.000	0.000
141	A	660	PHE	0	0.070	0.036	22.867	-0.117	-0.117	0.000	0.000	0.000	0.000
142	A	661	TYR	0	0.042	-0.017	17.969	-0.172	-0.172	0.000	0.000	0.000	0.000
143	A	662	LYS	1	0.774	0.887	18.252	15.330	15.330	0.000	0.000	0.000	0.000
144	A	663	MET	0	0.023	0.022	19.481	-0.163	-0.163	0.000	0.000	0.000	0.000
145	A	664	MET	0	-0.046	0.003	19.578	0.314	0.314	0.000	0.000	0.000	0.000
146	A	665	LEU	0	-0.057	-0.025	14.157	-0.055	-0.055	0.000	0.000	0.000	0.000
147	A	666	HIS	0	-0.044	-0.021	17.635	-0.308	-0.308	0.000	0.000	0.000	0.000
148	A	667	LYS	1	0.850	0.920	12.747	22.565	22.565	0.000	0.000	0.000	0.000
149	A	668	PRO	0	0.013	0.000	19.481	0.497	0.497	0.000	0.000	0.000	0.000
150	A	669	ILE	0	-0.007	0.013	21.723	-0.626	-0.626	0.000	0.000	0.000	0.000
151	A	670	THR	0	-0.061	-0.054	23.049	0.498	0.498	0.000	0.000	0.000	0.000
152	A	671	LEU	0	0.059	0.013	25.435	-0.036	-0.036	0.000	0.000	0.000	0.000
153	A	672	HIS	0	-0.031	-0.015	21.052	-0.512	-0.512	0.000	0.000	0.000	0.000
154	A	673	ASP	-1	-0.774	-0.862	21.316	-15.165	-15.165	0.000	0.000	0.000	0.000
155	A	674	MET	0	0.013	0.017	23.942	-0.023	-0.023	0.000	0.000	0.000	0.000
156	A	675	GLU	-1	-0.888	-0.931	25.512	-12.140	-12.140	0.000	0.000	0.000	0.000
157	A	676	SER	0	-0.091	-0.050	23.272	-0.059	-0.059	0.000	0.000	0.000	0.000
158	A	677	VAL	0	-0.064	-0.031	25.342	-0.077	-0.077	0.000	0.000	0.000	0.000
159	A	678	ASP	-1	-0.765	-0.899	28.038	-9.337	-9.337	0.000	0.000	0.000	0.000
160	A	679	SER	0	0.030	0.011	30.656	0.137	0.137	0.000	0.000	0.000	0.000
161	A	680	GLU	-1	-0.900	-0.941	31.639	-8.535	-8.535	0.000	0.000	0.000	0.000
162	A	681	TYR	0	0.047	0.010	33.312	0.126	0.126	0.000	0.000	0.000	0.000
163	A	682	TYR	0	-0.075	-0.036	27.282	0.024	0.024	0.000	0.000	0.000	0.000
164	A	683	ASN	0	0.024	0.001	31.821	-0.053	-0.053	0.000	0.000	0.000	0.000
165	A	684	SER	0	-0.005	0.013	34.355	0.214	0.214	0.000	0.000	0.000	0.000
166	A	685	LEU	0	-0.006	-0.017	32.581	0.105	0.105	0.000	0.000	0.000	0.000
167	A	686	ARG	1	0.858	0.925	27.964	10.865	10.865	0.000	0.000	0.000	0.000
168	A	687	TRP	0	0.050	0.036	34.014	0.063	0.063	0.000	0.000	0.000	0.000
169	A	688	ILE	0	0.055	0.024	37.508	0.117	0.117	0.000	0.000	0.000	0.000
170	A	689	LEU	0	-0.070	-0.039	31.264	0.043	0.043	0.000	0.000	0.000	0.000
171	A	690	GLU	-1	-0.929	-0.967	32.979	-9.720	-9.720	0.000	0.000	0.000	0.000
172	A	691	ASN	0	-0.057	-0.012	36.973	0.308	0.308	0.000	0.000	0.000	0.000
173	A	692	ASP	-1	-0.791	-0.882	40.758	-7.325	-7.325	0.000	0.000	0.000	0.000
174	A	693	PRO	0	-0.013	-0.010	41.362	0.087	0.087	0.000	0.000	0.000	0.000
175	A	694	THR	0	-0.025	-0.055	43.949	0.078	0.078	0.000	0.000	0.000	0.000
176	A	695	GLU	-1	-0.982	-0.986	46.949	-6.297	-6.297	0.000	0.000	0.000	0.000
177	A	696	LEU	0	-0.056	-0.024	44.660	0.084	0.084	0.000	0.000	0.000	0.000
178	A	697	ASP	-1	-0.881	-0.914	48.417	-6.389	-6.389	0.000	0.000	0.000	0.000
179	A	698	LEU	0	0.045	0.030	42.417	-0.035	-0.035	0.000	0.000	0.000	0.000
180	A	699	ARG	1	0.851	0.901	45.405	6.465	6.465	0.000	0.000	0.000	0.000
181	A	700	PHE	0	-0.060	-0.031	39.432	-0.248	-0.248	0.000	0.000	0.000	0.000
182	A	701	ILE	0	-0.031	-0.021	43.142	-0.023	-0.023	0.000	0.000	0.000	0.000
183	A	702	ILE	0	-0.036	-0.023	38.415	-0.152	-0.152	0.000	0.000	0.000	0.000
184	A	703	ASP	-1	-0.838	-0.906	42.523	-6.880	-6.880	0.000	0.000	0.000	0.000
185	A	704	GLU	-1	-0.832	-0.888	39.649	-8.439	-8.439	0.000	0.000	0.000	0.000
186	A	705	GLU	-1	-0.908	-0.952	43.408	-6.662	-6.662	0.000	0.000	0.000	0.000
187	A	706	LEU	0	-0.028	-0.017	43.072	-0.180	-0.180	0.000	0.000	0.000	0.000
188	A	707	PHE	0	-0.037	-0.039	44.138	0.153	0.153	0.000	0.000	0.000	0.000
189	A	708	GLY	0	0.016	0.017	48.099	0.143	0.143	0.000	0.000	0.000	0.000
190	A	709	GLN	0	-0.037	-0.006	49.368	0.070	0.070	0.000	0.000	0.000	0.000
191	A	710	THR	0	0.033	0.016	47.781	-0.113	-0.113	0.000	0.000	0.000	0.000
192	A	711	HIS	0	-0.085	-0.044	45.654	0.087	0.087	0.000	0.000	0.000	0.000
193	A	712	GLN	0	0.054	0.033	45.643	-0.274	-0.274	0.000	0.000	0.000	0.000
194	A	713	HIS	0	-0.032	-0.027	42.145	-0.112	-0.112	0.000	0.000	0.000	0.000
195	A	714	GLU	-1	-0.828	-0.921	43.595	-7.009	-7.009	0.000	0.000	0.000	0.000
196	A	715	LEU	0	-0.056	-0.023	37.677	-0.200	-0.200	0.000	0.000	0.000	0.000
197	A	716	LYS	1	0.768	0.858	39.417	7.728	7.728	0.000	0.000	0.000	0.000
198	A	717	ASN	0	0.008	0.001	42.086	-0.011	-0.011	0.000	0.000	0.000	0.000
199	A	718	GLY	0	0.023	0.021	45.590	0.022	0.022	0.000	0.000	0.000	0.000
200	A	719	GLY	0	-0.017	-0.008	45.084	0.031	0.031	0.000	0.000	0.000	0.000
201	A	720	SER	0	0.003	-0.023	45.877	-0.080	-0.080	0.000	0.000	0.000	0.000
202	A	721	GLU	-1	-0.901	-0.925	48.955	-6.155	-6.155	0.000	0.000	0.000	0.000
203	A	722	ILE	0	-0.084	-0.029	44.290	0.001	0.001	0.000	0.000	0.000	0.000
204	A	723	VAL	0	0.075	0.039	46.147	-0.130	-0.130	0.000	0.000	0.000	0.000
205	A	724	VAL	0	-0.045	-0.018	40.982	-0.137	-0.137	0.000	0.000	0.000	0.000
206	A	725	THR	0	0.040	0.009	43.702	0.064	0.064	0.000	0.000	0.000	0.000
207	A	726	ASN	0	0.001	-0.031	41.208	-0.428	-0.428	0.000	0.000	0.000	0.000
208	A	727	LYS	1	0.877	0.945	40.682	7.300	7.300	0.000	0.000	0.000	0.000
209	A	728	ASN	0	0.022	0.022	39.935	-0.203	-0.203	0.000	0.000	0.000	0.000
210	A	729	LYS	1	0.894	0.969	37.280	8.200	8.200	0.000	0.000	0.000	0.000
211	A	730	LYS	1	0.933	0.959	30.846	9.982	9.982	0.000	0.000	0.000	0.000
212	A	731	GLU	-1	-0.850	-0.902	34.033	-8.559	-8.559	0.000	0.000	0.000	0.000
213	A	732	TYR	0	0.046	0.032	35.637	-0.247	-0.247	0.000	0.000	0.000	0.000
214	A	733	ILE	0	0.016	0.003	31.691	-0.146	-0.146	0.000	0.000	0.000	0.000
215	A	734	TYR	0	-0.029	-0.013	28.571	-0.352	-0.352	0.000	0.000	0.000	0.000
216	A	735	LEU	0	0.011	-0.007	31.968	-0.242	-0.242	0.000	0.000	0.000	0.000
217	A	736	VAL	0	0.073	0.045	34.279	-0.032	-0.032	0.000	0.000	0.000	0.000
218	A	737	ILE	0	-0.064	-0.023	27.699	-0.142	-0.142	0.000	0.000	0.000	0.000
219	A	738	GLN	0	-0.050	-0.031	27.784	-0.312	-0.312	0.000	0.000	0.000	0.000
220	A	739	TRP	0	0.026	0.007	31.320	-0.215	-0.215	0.000	0.000	0.000	0.000
221	A	740	ARG	1	0.819	0.917	31.530	10.158	10.158	0.000	0.000	0.000	0.000
222	A	741	PHE	0	-0.008	-0.021	27.743	-0.174	-0.174	0.000	0.000	0.000	0.000
223	A	742	VAL	0	-0.002	-0.007	27.393	-0.289	-0.289	0.000	0.000	0.000	0.000
224	A	743	ASN	0	-0.018	-0.029	30.082	-0.106	-0.106	0.000	0.000	0.000	0.000
225	A	744	ARG	1	0.842	0.908	33.492	8.758	8.758	0.000	0.000	0.000	0.000
226	A	745	ILE	0	0.024	0.030	28.930	0.153	0.153	0.000	0.000	0.000	0.000
227	A	746	GLN	0	-0.021	0.002	30.716	-0.057	-0.057	0.000	0.000	0.000	0.000
228	A	747	LYS	1	0.971	0.970	31.343	8.554	8.554	0.000	0.000	0.000	0.000
229	A	748	GLN	0	0.051	0.038	32.747	-0.150	-0.150	0.000	0.000	0.000	0.000
230	A	749	MET	0	0.018	0.016	24.267	-0.106	-0.106	0.000	0.000	0.000	0.000
231	A	750	ALA	0	-0.056	-0.019	27.804	-0.426	-0.426	0.000	0.000	0.000	0.000
232	A	751	ALA	0	0.026	0.012	29.070	-0.227	-0.227	0.000	0.000	0.000	0.000
233	A	752	PHE	0	0.016	0.005	23.857	-0.167	-0.167	0.000	0.000	0.000	0.000
234	A	753	LYS	1	0.887	0.933	23.083	13.074	13.074	0.000	0.000	0.000	0.000
235	A	754	GLU	-1	-0.902	-0.924	25.385	-10.223	-10.223	0.000	0.000	0.000	0.000
236	A	755	GLY	0	-0.011	-0.007	27.533	-0.084	-0.084	0.000	0.000	0.000	0.000
237	A	756	PHE	0	0.013	0.007	19.135	-0.272	-0.272	0.000	0.000	0.000	0.000
238	A	757	PHE	0	-0.021	-0.032	20.035	-0.457	-0.457	0.000	0.000	0.000	0.000
239	A	758	GLU	-1	-0.802	-0.859	23.793	-10.302	-10.302	0.000	0.000	0.000	0.000
240	A	759	LEU	0	-0.091	-0.041	23.832	0.234	0.234	0.000	0.000	0.000	0.000
241	A	760	ILE	0	-0.013	-0.004	18.034	-0.501	-0.501	0.000	0.000	0.000	0.000
242	A	761	PRO	0	-0.020	-0.017	18.270	0.061	0.061	0.000	0.000	0.000	0.000
243	A	762	GLN	0	0.040	0.019	17.822	-1.023	-1.023	0.000	0.000	0.000	0.000
244	A	763	ASP	-1	-0.889	-0.960	16.806	-18.734	-18.734	0.000	0.000	0.000	0.000
245	A	764	LEU	0	-0.075	-0.026	12.721	-1.329	-1.329	0.000	0.000	0.000	0.000
246	A	765	ILE	0	0.014	-0.001	12.629	-1.971	-1.971	0.000	0.000	0.000	0.000
247	A	766	LYS	1	0.919	0.968	12.979	17.250	17.250	0.000	0.000	0.000	0.000
248	A	767	ILE	0	-0.045	-0.005	7.604	-1.299	-1.299	0.000	0.000	0.000	0.000
249	A	768	PHE	0	-0.048	-0.022	7.854	-5.731	-5.731	0.000	0.000	0.000	0.000
250	A	769	ASP	-1	-0.799	-0.883	10.004	-26.223	-26.223	0.000	0.000	0.000	0.000
251	A	770	GLU	-1	-0.778	-0.918	11.584	-20.901	-20.901	0.000	0.000	0.000	0.000
252	A	771	ASN	0	0.017	0.009	12.801	2.952	2.952	0.000	0.000	0.000	0.000
253	A	772	GLU	-1	-0.805	-0.890	7.642	-41.598	-41.598	0.000	0.000	0.000	0.000
254	A	773	LEU	0	-0.039	-0.021	12.496	0.626	0.626	0.000	0.000	0.000	0.000
255	A	774	GLU	-1	-0.870	-0.939	15.081	-15.959	-15.959	0.000	0.000	0.000	0.000
256	A	775	LEU	0	-0.002	-0.002	12.160	0.697	0.697	0.000	0.000	0.000	0.000
257	A	776	LEU	0	-0.100	-0.038	13.337	0.307	0.307	0.000	0.000	0.000	0.000
258	A	777	MET	0	-0.026	-0.008	15.593	0.607	0.607	0.000	0.000	0.000	0.000
259	A	778	CYS	0	0.016	0.061	19.352	0.835	0.835	0.000	0.000	0.000	0.000
260	A	779	GLY	0	0.036	0.003	19.923	-0.912	-0.912	0.000	0.000	0.000	0.000
261	A	780	LEU	0	0.008	0.009	22.140	0.302	0.302	0.000	0.000	0.000	0.000
262	A	781	GLY	0	-0.015	-0.009	22.480	-0.489	-0.489	0.000	0.000	0.000	0.000
263	A	782	ASP	-1	-0.799	-0.896	23.868	-10.841	-10.841	0.000	0.000	0.000	0.000
264	A	783	VAL	0	0.000	0.008	24.541	-0.210	-0.210	0.000	0.000	0.000	0.000
265	A	784	ASP	-1	-0.848	-0.919	26.388	-9.164	-9.164	0.000	0.000	0.000	0.000
266	A	785	VAL	0	0.005	-0.017	28.972	-0.126	-0.126	0.000	0.000	0.000	0.000
267	A	786	ASN	0	-0.035	-0.010	30.582	0.294	0.294	0.000	0.000	0.000	0.000
268	A	787	ASP	-1	-0.763	-0.880	27.313	-10.721	-10.721	0.000	0.000	0.000	0.000
269	A	788	TRP	0	0.007	-0.009	24.303	-0.028	-0.028	0.000	0.000	0.000	0.000
270	A	789	ARG	1	0.807	0.891	27.762	8.488	8.488	0.000	0.000	0.000	0.000
271	A	790	GLU	-1	-0.899	-0.934	30.898	-8.327	-8.327	0.000	0.000	0.000	0.000
272	A	791	HIS	0	-0.013	0.008	27.188	0.130	0.130	0.000	0.000	0.000	0.000
273	A	792	THR	0	-0.061	-0.027	27.109	-0.467	-0.467	0.000	0.000	0.000	0.000
274	A	793	LYS	1	0.865	0.934	27.344	10.257	10.257	0.000	0.000	0.000	0.000
275	A	794	TYR	0	0.064	0.026	28.704	-0.076	-0.076	0.000	0.000	0.000	0.000
276	A	795	LYS	1	0.941	0.971	26.200	9.880	9.880	0.000	0.000	0.000	0.000
277	A	796	ASN	0	-0.023	-0.021	31.035	0.245	0.245	0.000	0.000	0.000	0.000
278	A	797	GLY	0	0.055	0.035	33.321	0.129	0.129	0.000	0.000	0.000	0.000
279	A	798	TYR	0	-0.054	-0.027	31.612	0.263	0.263	0.000	0.000	0.000	0.000
280	A	799	SER	0	-0.004	-0.017	34.931	-0.035	-0.035	0.000	0.000	0.000	0.000
281	A	800	ALA	0	0.054	0.019	35.367	0.028	0.028	0.000	0.000	0.000	0.000
282	A	801	ASN	0	-0.005	-0.004	36.204	-0.023	-0.023	0.000	0.000	0.000	0.000
283	A	802	HIS	0	0.011	0.024	37.056	0.143	0.143	0.000	0.000	0.000	0.000
284	A	803	GLN	0	0.025	0.015	38.278	-0.001	-0.001	0.000	0.000	0.000	0.000
285	A	804	VAL	0	0.046	0.025	34.342	-0.047	-0.047	0.000	0.000	0.000	0.000
286	A	805	ILE	0	0.004	0.009	32.135	-0.210	-0.210	0.000	0.000	0.000	0.000
287	A	806	GLN	0	-0.007	-0.006	34.890	-0.067	-0.067	0.000	0.000	0.000	0.000
288	A	807	TRP	0	-0.045	-0.018	37.119	-0.045	-0.045	0.000	0.000	0.000	0.000
289	A	808	PHE	0	0.051	0.024	27.300	-0.080	-0.080	0.000	0.000	0.000	0.000
290	A	809	TRP	0	0.024	-0.005	28.148	-0.109	-0.109	0.000	0.000	0.000	0.000
291	A	810	LYS	1	0.906	0.969	33.803	7.232	7.232	0.000	0.000	0.000	0.000
292	A	811	ALA	0	0.031	0.017	32.733	-0.003	-0.003	0.000	0.000	0.000	0.000
293	A	812	VAL	0	0.023	-0.009	28.996	-0.100	-0.100	0.000	0.000	0.000	0.000
294	A	813	LEU	0	-0.057	-0.013	31.375	-0.119	-0.119	0.000	0.000	0.000	0.000
295	A	814	MET	0	-0.044	-0.026	34.341	0.058	0.058	0.000	0.000	0.000	0.000
296	A	815	MET	0	-0.007	0.029	27.784	-0.003	-0.003	0.000	0.000	0.000	0.000
297	A	816	ASP	-1	-0.838	-0.906	30.387	-9.472	-9.472	0.000	0.000	0.000	0.000
298	A	817	SER	0	0.002	-0.033	27.376	-0.294	-0.294	0.000	0.000	0.000	0.000
299	A	818	GLU	-1	-0.871	-0.921	24.529	-12.086	-12.086	0.000	0.000	0.000	0.000
300	A	819	LYS	1	0.885	0.927	25.498	8.811	8.811	0.000	0.000	0.000	0.000
301	A	820	ARG	1	0.865	0.932	26.224	9.330	9.330	0.000	0.000	0.000	0.000
302	A	821	ILE	0	0.010	0.010	21.087	-0.329	-0.329	0.000	0.000	0.000	0.000
303	A	822	ARG	1	0.825	0.907	21.449	10.446	10.446	0.000	0.000	0.000	0.000
304	A	823	LEU	0	0.027	0.019	21.903	-0.220	-0.220	0.000	0.000	0.000	0.000
305	A	824	LEU	0	-0.012	-0.006	19.783	-0.164	-0.164	0.000	0.000	0.000	0.000
306	A	825	GLN	0	-0.007	-0.003	15.440	-0.082	-0.082	0.000	0.000	0.000	0.000
307	A	826	PHE	0	-0.055	-0.013	17.560	-0.460	-0.460	0.000	0.000	0.000	0.000
308	A	827	VAL	0	-0.031	-0.018	19.189	-0.069	-0.069	0.000	0.000	0.000	0.000
309	A	828	THR	0	0.013	-0.005	15.748	-0.035	-0.035	0.000	0.000	0.000	0.000
310	A	829	GLY	0	-0.062	-0.025	13.692	-1.037	-1.037	0.000	0.000	0.000	0.000
311	A	830	THR	0	-0.090	-0.054	12.127	-0.596	-0.596	0.000	0.000	0.000	0.000
312	A	831	SER	0	0.063	0.020	14.803	0.346	0.346	0.000	0.000	0.000	0.000
313	A	832	ARG	1	0.814	0.903	14.783	18.279	18.279	0.000	0.000	0.000	0.000
314	A	833	VAL	0	0.056	0.025	17.687	-0.327	-0.327	0.000	0.000	0.000	0.000
315	A	834	PRO	0	-0.003	0.003	18.165	-0.464	-0.464	0.000	0.000	0.000	0.000
316	A	835	MET	0	-0.001	0.003	19.803	0.910	0.910	0.000	0.000	0.000	0.000
317	A	836	ASN	0	-0.011	-0.018	22.261	0.008	0.008	0.000	0.000	0.000	0.000
318	A	837	GLY	0	0.036	0.042	23.985	0.432	0.432	0.000	0.000	0.000	0.000
319	A	838	PHE	0	-0.053	-0.054	22.481	-0.476	-0.476	0.000	0.000	0.000	0.000
320	A	839	ALA	0	-0.016	0.000	24.231	-0.055	-0.055	0.000	0.000	0.000	0.000
321	A	840	GLU	-1	-0.928	-0.956	21.842	-12.671	-12.671	0.000	0.000	0.000	0.000
322	A	841	LEU	0	-0.025	-0.004	18.243	-0.777	-0.777	0.000	0.000	0.000	0.000
323	A	842	TYR	0	-0.015	-0.009	15.614	0.000	0.000	0.000	0.000	0.000	0.000
324	A	843	GLY	0	0.039	0.039	15.644	-0.001	-0.001	0.000	0.000	0.000	0.000
325	A	844	SER	0	-0.062	-0.045	11.506	-0.604	-0.604	0.000	0.000	0.000	0.000
326	A	845	ASN	0	-0.080	-0.045	12.158	-1.448	-1.448	0.000	0.000	0.000	0.000
327	A	846	GLY	0	0.027	0.029	14.940	0.865	0.865	0.000	0.000	0.000	0.000
328	A	847	PRO	0	0.039	0.014	17.302	-0.341	-0.341	0.000	0.000	0.000	0.000
329	A	848	GLN	0	-0.091	-0.037	18.586	0.392	0.392	0.000	0.000	0.000	0.000
330	A	849	SER	0	0.066	0.035	20.459	-0.205	-0.205	0.000	0.000	0.000	0.000
331	A	850	PHE	0	0.064	0.040	22.011	-0.062	-0.062	0.000	0.000	0.000	0.000
332	A	851	THR	0	-0.050	-0.030	23.462	0.548	0.548	0.000	0.000	0.000	0.000
333	A	852	VAL	0	0.006	0.012	25.259	-0.168	-0.168	0.000	0.000	0.000	0.000
334	A	853	GLU	-1	-0.919	-0.984	27.234	-9.406	-9.406	0.000	0.000	0.000	0.000
335	A	854	GLN	0	-0.008	-0.004	29.165	0.078	0.078	0.000	0.000	0.000	0.000
336	A	855	TRP	0	-0.007	-0.015	27.892	-0.033	-0.033	0.000	0.000	0.000	0.000
337	A	856	GLY	0	-0.016	-0.006	30.774	-0.038	-0.038	0.000	0.000	0.000	0.000
338	A	857	THR	0	-0.021	-0.053	32.434	0.041	0.041	0.000	0.000	0.000	0.000
339	A	858	PRO	0	0.071	0.036	34.368	-0.213	-0.213	0.000	0.000	0.000	0.000
340	A	859	GLU	-1	-0.819	-0.892	35.677	-7.379	-7.379	0.000	0.000	0.000	0.000
341	A	860	LYS	1	0.844	0.948	30.494	8.116	8.116	0.000	0.000	0.000	0.000
342	A	861	LEU	0	0.066	0.051	27.800	0.100	0.100	0.000	0.000	0.000	0.000
343	A	862	PRO	0	-0.005	-0.007	26.825	-0.070	-0.070	0.000	0.000	0.000	0.000
344	A	863	ARG	1	0.829	0.908	22.890	9.954	9.954	0.000	0.000	0.000	0.000
345	A	864	ALA	0	0.047	0.023	20.310	0.203	0.203	0.000	0.000	0.000	0.000
346	A	865	HIS	0	-0.064	-0.019	18.020	-0.199	-0.199	0.000	0.000	0.000	0.000
347	A	866	THR	0	0.047	0.025	13.235	0.014	0.014	0.000	0.000	0.000	0.000
348	A	867	CYS	0	-0.036	-0.018	13.411	-0.375	-0.375	0.000	0.000	0.000	0.000
349	A	868	PHE	0	-0.002	-0.011	14.927	-0.139	-0.139	0.000	0.000	0.000	0.000
350	A	869	ASN	0	-0.017	-0.016	17.226	0.225	0.225	0.000	0.000	0.000	0.000
351	A	870	ARG	1	0.840	0.908	19.434	11.429	11.429	0.000	0.000	0.000	0.000
352	A	871	LEU	0	0.024	0.014	21.899	-0.198	-0.198	0.000	0.000	0.000	0.000
353	A	872	ASP	-1	-0.781	-0.861	24.515	-9.984	-9.984	0.000	0.000	0.000	0.000
354	A	873	LEU	0	0.044	-0.001	26.485	-0.040	-0.040	0.000	0.000	0.000	0.000
355	A	874	PRO	0	0.011	0.022	29.618	0.158	0.158	0.000	0.000	0.000	0.000
356	A	875	PRO	0	-0.033	-0.008	32.711	-0.019	-0.019	0.000	0.000	0.000	0.000
357	A	876	TYR	0	-0.042	-0.056	31.775	0.067	0.067	0.000	0.000	0.000	0.000
358	A	877	GLU	-1	-0.888	-0.950	37.377	-6.555	-6.555	0.000	0.000	0.000	0.000
359	A	878	SER	0	-0.040	-0.021	39.755	0.133	0.133	0.000	0.000	0.000	0.000
360	A	879	PHE	0	-0.018	-0.013	36.445	-0.208	-0.208	0.000	0.000	0.000	0.000
361	A	880	GLU	-1	-0.843	-0.936	37.344	-7.147	-7.147	0.000	0.000	0.000	0.000
362	A	881	GLU	-1	-0.817	-0.901	36.485	-7.479	-7.479	0.000	0.000	0.000	0.000
363	A	882	LEU	0	-0.029	-0.015	32.616	-0.226	-0.226	0.000	0.000	0.000	0.000
364	A	883	TRP	0	-0.034	-0.018	32.805	-0.377	-0.377	0.000	0.000	0.000	0.000
365	A	884	ASP	-1	-0.874	-0.940	32.490	-7.993	-7.993	0.000	0.000	0.000	0.000
366	A	885	LYS	1	0.766	0.888	32.047	7.495	7.495	0.000	0.000	0.000	0.000
367	A	886	LEU	0	-0.008	-0.009	26.851	-0.278	-0.278	0.000	0.000	0.000	0.000
368	A	887	GLN	0	0.007	0.002	27.668	-0.295	-0.295	0.000	0.000	0.000	0.000
369	A	888	MET	0	-0.007	-0.008	28.051	-0.196	-0.196	0.000	0.000	0.000	0.000
370	A	889	ALA	0	-0.038	-0.016	25.385	-0.174	-0.174	0.000	0.000	0.000	0.000
371	A	890	ILE	0	-0.023	-0.012	23.216	-0.368	-0.368	0.000	0.000	0.000	0.000
372	A	891	GLU	-1	-0.861	-0.922	23.238	-10.579	-10.579	0.000	0.000	0.000	0.000
373	A	892	ASN	0	-0.053	-0.026	24.770	0.041	0.041	0.000	0.000	0.000	0.000
374	A	893	THR	0	-0.108	-0.044	19.334	-0.162	-0.162	0.000	0.000	0.000	0.000
375	A	894	GLN	-1	-0.927	-0.952	19.986	-12.698	-12.698	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(A:520:ARG)