FMO DATABASE

FMODB ID: MNMYZ

Calculation Name: 4H8S-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 4H8S

Chain ID: A

ChEMBL ID:

UniProt ID: Q8NEU8

Base Structure: X-ray

Registration Date: 2023-09-20

Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.

DOI:

IFIE MAP

IFIE Diagram

Modeling method

Optimization	MOE:Amber10:EHT
Restraint	OptHSide
Protonation	MOE:Protonate 3D
Complement	MOE:Structure Preparation
Water	No
Procedure	Auto-FMO protocol ver. 2.20220422

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	382
LigandResidueName
LigandFragmentNumber	0
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-4457552.68112
FMO2-HF: Nuclear repulsion	4303213.675093
FMO2-HF: Total energy	-154339.006028
FMO2-MP2: Total energy	-154779.15952

3D Structure

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:-4:TYR)

Summations of interaction energy for fragment #1(A:-4:TYR)

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.
-1.617	0.462	0.027	-0.908	-1.198	-0.002

Interaction energy analysis for fragmet #1(A:-4:TYR)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : -0.042 / q_NPA : -0.037

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	-2	GLN	0	0.014	0.001	3.113	-1.638	0.441	0.027	-0.908	-1.198	-0.002
4	A	-1	SER	0	-0.019	-0.016	6.183	0.241	0.241	0.000	0.000	0.000	0.000
5	A	0	ASN	0	0.031	0.018	9.628	-0.048	-0.048	0.000	0.000	0.000	0.000
6	A	1	ALA	0	-0.009	-0.001	12.428	0.058	0.058	0.000	0.000	0.000	0.000
7	A	2	PRO	0	-0.044	-0.033	16.209	0.008	0.008	0.000	0.000	0.000	0.000
8	A	3	ALA	0	0.015	0.011	17.751	0.009	0.009	0.000	0.000	0.000	0.000
9	A	4	VAL	0	-0.018	0.001	20.342	0.000	0.000	0.000	0.000	0.000	0.000
10	A	5	ASP	-1	-0.897	-0.936	22.597	-0.137	-0.137	0.000	0.000	0.000	0.000
11	A	6	LYS	1	0.886	0.943	25.039	0.098	0.098	0.000	0.000	0.000	0.000
12	A	7	LEU	0	-0.001	0.006	28.169	0.000	0.000	0.000	0.000	0.000	0.000
13	A	8	LEU	0	0.038	-0.013	28.151	0.000	0.000	0.000	0.000	0.000	0.000
14	A	9	LEU	0	-0.002	0.014	31.751	0.001	0.001	0.000	0.000	0.000	0.000
15	A	10	GLU	-1	-0.942	-0.992	33.108	-0.072	-0.072	0.000	0.000	0.000	0.000
16	A	11	GLU	-1	-0.923	-0.945	31.405	-0.060	-0.060	0.000	0.000	0.000	0.000
17	A	12	ALA	0	-0.001	0.005	35.615	0.001	0.001	0.000	0.000	0.000	0.000
18	A	13	LEU	0	-0.041	-0.029	38.075	0.003	0.003	0.000	0.000	0.000	0.000
19	A	14	GLN	0	-0.062	-0.035	37.143	0.003	0.003	0.000	0.000	0.000	0.000
20	A	15	ASP	-1	-0.799	-0.857	37.514	-0.030	-0.030	0.000	0.000	0.000	0.000
21	A	16	SER	0	0.023	0.024	33.544	0.003	0.003	0.000	0.000	0.000	0.000
22	A	17	PRO	0	0.054	0.009	34.543	-0.002	-0.002	0.000	0.000	0.000	0.000
23	A	18	GLN	0	0.026	-0.005	29.530	0.001	0.001	0.000	0.000	0.000	0.000
24	A	19	THR	0	-0.012	0.000	30.001	-0.002	-0.002	0.000	0.000	0.000	0.000
25	A	20	ARG	1	0.813	0.868	31.930	0.027	0.027	0.000	0.000	0.000	0.000
26	A	21	SER	0	-0.058	-0.027	29.291	0.001	0.001	0.000	0.000	0.000	0.000
27	A	22	LEU	0	0.040	0.022	26.032	0.001	0.001	0.000	0.000	0.000	0.000
28	A	23	LEU	0	0.002	-0.003	29.014	-0.003	-0.003	0.000	0.000	0.000	0.000
29	A	24	SER	0	0.007	0.003	31.303	0.001	0.001	0.000	0.000	0.000	0.000
30	A	25	VAL	0	-0.019	-0.002	25.662	0.001	0.001	0.000	0.000	0.000	0.000
31	A	26	PHE	0	-0.022	-0.017	27.793	-0.003	-0.003	0.000	0.000	0.000	0.000
32	A	27	GLU	-1	-0.860	-0.900	29.738	-0.038	-0.038	0.000	0.000	0.000	0.000
33	A	28	GLU	-1	-0.904	-0.945	28.869	-0.026	-0.026	0.000	0.000	0.000	0.000
34	A	29	ASP	-1	-0.882	-0.943	26.695	-0.078	-0.078	0.000	0.000	0.000	0.000
35	A	30	ALA	0	0.006	-0.010	28.714	0.000	0.000	0.000	0.000	0.000	0.000
36	A	31	GLY	0	0.014	0.013	31.992	0.001	0.001	0.000	0.000	0.000	0.000
37	A	32	THR	0	0.031	0.015	28.662	-0.001	-0.001	0.000	0.000	0.000	0.000
38	A	33	LEU	0	-0.010	0.012	30.189	-0.001	-0.001	0.000	0.000	0.000	0.000
39	A	34	THR	0	-0.059	-0.046	31.480	0.001	0.001	0.000	0.000	0.000	0.000
40	A	35	ASP	-1	-0.886	-0.935	33.473	-0.031	-0.031	0.000	0.000	0.000	0.000
41	A	36	TYR	0	-0.030	-0.018	30.691	0.000	0.000	0.000	0.000	0.000	0.000
42	A	37	THR	0	-0.005	-0.026	33.206	0.001	0.001	0.000	0.000	0.000	0.000
43	A	38	ASN	0	0.017	0.028	35.296	0.001	0.001	0.000	0.000	0.000	0.000
44	A	39	GLN	0	-0.035	-0.009	34.819	0.003	0.003	0.000	0.000	0.000	0.000
45	A	40	LEU	0	-0.023	-0.010	32.830	0.001	0.001	0.000	0.000	0.000	0.000
46	A	41	LEU	0	0.032	0.013	36.214	0.001	0.001	0.000	0.000	0.000	0.000
47	A	42	GLN	0	0.013	0.002	39.380	0.001	0.001	0.000	0.000	0.000	0.000
48	A	43	ALA	0	-0.022	-0.014	37.715	0.002	0.002	0.000	0.000	0.000	0.000
49	A	44	MET	0	-0.019	-0.018	37.429	0.000	0.000	0.000	0.000	0.000	0.000
50	A	45	GLN	0	0.036	0.012	40.545	0.002	0.002	0.000	0.000	0.000	0.000
51	A	46	ARG	1	0.954	0.993	42.825	0.029	0.029	0.000	0.000	0.000	0.000
52	A	47	VAL	0	-0.022	-0.002	40.756	0.001	0.001	0.000	0.000	0.000	0.000
53	A	48	TYR	0	0.010	0.006	43.884	0.001	0.001	0.000	0.000	0.000	0.000
54	A	49	GLY	0	0.004	0.005	46.278	0.001	0.001	0.000	0.000	0.000	0.000
55	A	50	ALA	0	-0.014	-0.021	46.455	0.001	0.001	0.000	0.000	0.000	0.000
56	A	51	GLN	0	0.000	0.016	46.246	0.002	0.002	0.000	0.000	0.000	0.000
57	A	52	ASN	0	-0.001	-0.020	49.116	0.002	0.002	0.000	0.000	0.000	0.000
58	A	53	GLU	-1	-0.924	-0.961	51.581	-0.020	-0.020	0.000	0.000	0.000	0.000
59	A	54	MET	0	0.053	0.038	51.279	0.001	0.001	0.000	0.000	0.000	0.000
60	A	55	CYS	0	-0.077	-0.011	53.370	0.000	0.000	0.000	0.000	0.000	0.000
61	A	56	LEU	0	0.014	0.006	55.315	0.001	0.001	0.000	0.000	0.000	0.000
62	A	57	ALA	0	0.016	0.013	55.887	0.001	0.001	0.000	0.000	0.000	0.000
63	A	58	THR	0	-0.011	-0.023	55.996	0.001	0.001	0.000	0.000	0.000	0.000
64	A	59	GLN	0	-0.009	0.000	58.652	0.000	0.000	0.000	0.000	0.000	0.000
65	A	60	GLN	0	-0.067	-0.035	61.127	0.001	0.001	0.000	0.000	0.000	0.000
66	A	61	LEU	0	0.008	0.008	59.773	0.001	0.001	0.000	0.000	0.000	0.000
67	A	62	SER	0	0.026	-0.012	62.824	0.001	0.001	0.000	0.000	0.000	0.000
68	A	63	LYS	1	0.955	0.978	64.726	0.015	0.015	0.000	0.000	0.000	0.000
69	A	64	GLN	0	-0.017	-0.020	66.173	0.001	0.001	0.000	0.000	0.000	0.000
70	A	65	LEU	0	-0.017	0.006	63.716	0.000	0.000	0.000	0.000	0.000	0.000
71	A	66	LEU	0	-0.010	-0.010	68.004	0.000	0.000	0.000	0.000	0.000	0.000
72	A	67	ALA	0	-0.038	-0.020	70.638	0.000	0.000	0.000	0.000	0.000	0.000
73	A	68	TYR	0	-0.045	-0.045	72.077	0.000	0.000	0.000	0.000	0.000	0.000
74	A	69	GLU	-1	-0.801	-0.892	73.824	-0.012	-0.012	0.000	0.000	0.000	0.000
75	A	70	LYS	1	0.756	0.875	74.050	0.013	0.013	0.000	0.000	0.000	0.000
76	A	71	GLN	0	-0.018	0.010	76.129	0.000	0.000	0.000	0.000	0.000	0.000
77	A	72	ASN	0	-0.042	-0.013	79.055	0.000	0.000	0.000	0.000	0.000	0.000
78	A	73	PHE	0	0.029	0.005	76.544	0.000	0.000	0.000	0.000	0.000	0.000
79	A	74	ALA	0	-0.012	-0.004	82.580	0.000	0.000	0.000	0.000	0.000	0.000
80	A	75	LEU	0	0.019	0.008	83.916	0.000	0.000	0.000	0.000	0.000	0.000
81	A	76	GLY	0	-0.005	-0.020	85.197	0.000	0.000	0.000	0.000	0.000	0.000
82	A	77	LYS	1	0.743	0.842	77.874	0.010	0.010	0.000	0.000	0.000	0.000
83	A	78	GLY	0	0.120	0.079	79.906	0.000	0.000	0.000	0.000	0.000	0.000
84	A	79	ASP	-1	-0.862	-0.903	76.636	-0.010	-0.010	0.000	0.000	0.000	0.000
85	A	80	GLU	-1	-0.839	-0.907	77.307	-0.010	-0.010	0.000	0.000	0.000	0.000
86	A	81	GLU	-1	-0.859	-0.943	73.943	-0.011	-0.011	0.000	0.000	0.000	0.000
87	A	82	VAL	0	0.016	0.017	72.062	-0.001	-0.001	0.000	0.000	0.000	0.000
88	A	83	ILE	0	0.020	0.016	71.982	-0.001	-0.001	0.000	0.000	0.000	0.000
89	A	84	SER	0	-0.073	-0.041	72.403	0.000	0.000	0.000	0.000	0.000	0.000
90	A	85	THR	0	0.006	0.001	68.344	-0.001	-0.001	0.000	0.000	0.000	0.000
91	A	86	LEU	0	0.002	0.003	67.912	-0.001	-0.001	0.000	0.000	0.000	0.000
92	A	87	HIS	0	-0.028	-0.011	67.899	-0.001	-0.001	0.000	0.000	0.000	0.000
93	A	88	TYR	0	-0.014	-0.003	61.913	-0.001	-0.001	0.000	0.000	0.000	0.000
94	A	89	PHE	0	0.000	-0.032	62.096	-0.001	-0.001	0.000	0.000	0.000	0.000
95	A	90	SER	0	0.007	0.010	63.033	0.000	0.000	0.000	0.000	0.000	0.000
96	A	91	LYS	1	0.806	0.888	63.567	0.018	0.018	0.000	0.000	0.000	0.000
97	A	92	VAL	0	-0.009	0.000	58.799	-0.001	-0.001	0.000	0.000	0.000	0.000
98	A	93	VAL	0	-0.003	0.006	59.077	-0.001	-0.001	0.000	0.000	0.000	0.000
99	A	94	ASP	-1	-0.820	-0.897	59.355	-0.018	-0.018	0.000	0.000	0.000	0.000
100	A	95	GLU	-1	-0.817	-0.898	58.874	-0.020	-0.020	0.000	0.000	0.000	0.000
101	A	96	LEU	0	-0.007	-0.008	52.929	-0.001	-0.001	0.000	0.000	0.000	0.000
102	A	97	ASN	0	-0.022	-0.007	55.002	-0.001	-0.001	0.000	0.000	0.000	0.000
103	A	98	LEU	0	0.024	0.029	55.544	-0.001	-0.001	0.000	0.000	0.000	0.000
104	A	99	LEU	0	-0.008	-0.008	51.817	-0.001	-0.001	0.000	0.000	0.000	0.000
105	A	100	HIS	0	0.019	-0.007	50.200	-0.001	-0.001	0.000	0.000	0.000	0.000
106	A	101	THR	0	-0.055	-0.048	51.400	-0.001	-0.001	0.000	0.000	0.000	0.000
107	A	102	GLU	-1	-0.904	-0.952	50.245	-0.033	-0.033	0.000	0.000	0.000	0.000
108	A	103	LEU	0	-0.011	0.008	44.876	-0.001	-0.001	0.000	0.000	0.000	0.000
109	A	104	ALA	0	-0.004	0.002	47.847	-0.001	-0.001	0.000	0.000	0.000	0.000
110	A	105	LYS	1	0.836	0.898	48.403	0.030	0.030	0.000	0.000	0.000	0.000
111	A	106	GLN	0	0.049	0.014	45.290	-0.003	-0.003	0.000	0.000	0.000	0.000
112	A	107	LEU	0	-0.009	0.003	42.702	-0.002	-0.002	0.000	0.000	0.000	0.000
113	A	108	ALA	0	0.015	0.004	43.887	-0.002	-0.002	0.000	0.000	0.000	0.000
114	A	109	ASP	-1	-0.854	-0.908	45.331	-0.035	-0.035	0.000	0.000	0.000	0.000
115	A	110	THR	0	-0.079	-0.059	41.909	-0.002	-0.002	0.000	0.000	0.000	0.000
116	A	111	MET	0	-0.015	0.001	38.844	-0.002	-0.002	0.000	0.000	0.000	0.000
117	A	112	VAL	0	0.005	-0.006	39.981	-0.001	-0.001	0.000	0.000	0.000	0.000
118	A	113	LEU	0	0.000	0.017	42.158	0.000	0.000	0.000	0.000	0.000	0.000
119	A	114	PRO	0	-0.001	-0.005	38.253	0.000	0.000	0.000	0.000	0.000	0.000
120	A	115	ILE	0	0.031	0.017	35.214	-0.002	-0.002	0.000	0.000	0.000	0.000
121	A	116	ILE	0	0.004	0.016	38.999	0.000	0.000	0.000	0.000	0.000	0.000
122	A	117	GLN	0	0.047	0.019	42.049	0.001	0.001	0.000	0.000	0.000	0.000
123	A	118	PHE	0	0.025	0.025	32.924	0.000	0.000	0.000	0.000	0.000	0.000
124	A	119	ARG	1	0.881	0.921	38.464	0.037	0.037	0.000	0.000	0.000	0.000
125	A	120	GLU	-1	-0.937	-0.978	39.901	-0.032	-0.032	0.000	0.000	0.000	0.000
126	A	121	LYS	1	0.834	0.914	42.058	0.041	0.041	0.000	0.000	0.000	0.000
127	A	122	ASP	-1	-0.768	-0.874	37.522	-0.054	-0.054	0.000	0.000	0.000	0.000
128	A	123	LEU	0	-0.004	-0.011	34.469	0.000	0.000	0.000	0.000	0.000	0.000
129	A	124	THR	0	-0.024	-0.006	38.359	0.002	0.002	0.000	0.000	0.000	0.000
130	A	125	GLU	-1	-0.942	-0.954	40.813	-0.044	-0.044	0.000	0.000	0.000	0.000
131	A	126	VAL	0	0.030	0.016	35.930	0.001	0.001	0.000	0.000	0.000	0.000
132	A	127	SER	0	0.018	0.008	39.145	0.002	0.002	0.000	0.000	0.000	0.000
133	A	128	THR	0	-0.050	-0.026	41.101	0.003	0.003	0.000	0.000	0.000	0.000
134	A	129	LEU	0	-0.031	-0.031	40.738	0.002	0.002	0.000	0.000	0.000	0.000
135	A	130	LYS	1	0.886	0.957	38.108	0.032	0.032	0.000	0.000	0.000	0.000
136	A	131	ASP	-1	-0.863	-0.932	41.003	-0.026	-0.026	0.000	0.000	0.000	0.000
137	A	132	LEU	0	-0.054	-0.015	44.279	0.002	0.002	0.000	0.000	0.000	0.000
138	A	133	PHE	0	0.003	-0.010	38.877	0.001	0.001	0.000	0.000	0.000	0.000
139	A	134	GLY	0	0.038	0.011	42.863	0.001	0.001	0.000	0.000	0.000	0.000
140	A	135	LEU	0	-0.018	0.003	43.567	0.002	0.002	0.000	0.000	0.000	0.000
141	A	136	ALA	0	0.002	-0.008	46.327	0.001	0.001	0.000	0.000	0.000	0.000
142	A	137	SER	0	0.011	0.011	43.443	0.000	0.000	0.000	0.000	0.000	0.000
143	A	138	ASN	0	0.018	0.018	45.572	0.002	0.002	0.000	0.000	0.000	0.000
144	A	139	GLU	-1	-0.877	-0.920	47.741	-0.021	-0.021	0.000	0.000	0.000	0.000
145	A	140	HIS	0	0.023	0.000	45.600	0.001	0.001	0.000	0.000	0.000	0.000
146	A	141	ASP	-1	-0.874	-0.930	45.624	-0.019	-0.019	0.000	0.000	0.000	0.000
147	A	142	LEU	0	-0.031	-0.027	48.546	0.001	0.001	0.000	0.000	0.000	0.000
148	A	143	SER	0	-0.050	-0.022	51.675	0.001	0.001	0.000	0.000	0.000	0.000
149	A	144	MET	0	0.031	0.009	48.022	0.000	0.000	0.000	0.000	0.000	0.000
150	A	145	ALA	0	-0.013	0.016	51.402	0.001	0.001	0.000	0.000	0.000	0.000
151	A	146	LYS	1	0.821	0.879	53.412	0.015	0.015	0.000	0.000	0.000	0.000
152	A	147	TYR	0	0.020	0.001	53.610	0.000	0.000	0.000	0.000	0.000	0.000
153	A	148	SER	0	-0.034	-0.026	52.430	0.000	0.000	0.000	0.000	0.000	0.000
154	A	149	ARG	1	0.895	0.952	54.790	0.011	0.011	0.000	0.000	0.000	0.000
155	A	150	LEU	0	-0.033	0.009	58.119	0.001	0.001	0.000	0.000	0.000	0.000
156	A	151	PRO	0	0.006	0.016	59.704	0.000	0.000	0.000	0.000	0.000	0.000
157	A	152	LYS	1	1.009	0.999	58.578	0.008	0.008	0.000	0.000	0.000	0.000
158	A	153	LYS	1	0.918	0.968	61.913	0.005	0.005	0.000	0.000	0.000	0.000
159	A	154	LYS	1	0.948	0.965	65.688	0.007	0.007	0.000	0.000	0.000	0.000
160	A	155	GLU	-1	-0.780	-0.889	62.351	-0.011	-0.011	0.000	0.000	0.000	0.000
161	A	156	ASN	0	-0.038	-0.019	65.455	0.000	0.000	0.000	0.000	0.000	0.000
162	A	157	GLU	-1	-0.750	-0.872	64.224	-0.013	-0.013	0.000	0.000	0.000	0.000
163	A	158	LYS	1	0.803	0.900	65.209	0.012	0.012	0.000	0.000	0.000	0.000
164	A	159	VAL	0	0.077	0.025	63.416	0.000	0.000	0.000	0.000	0.000	0.000
165	A	160	LYS	1	0.805	0.884	60.023	0.012	0.012	0.000	0.000	0.000	0.000
166	A	161	THR	0	-0.021	-0.019	60.208	-0.001	-0.001	0.000	0.000	0.000	0.000
167	A	162	GLU	-1	-0.875	-0.924	60.703	-0.013	-0.013	0.000	0.000	0.000	0.000
168	A	163	VAL	0	0.026	0.012	57.130	-0.001	-0.001	0.000	0.000	0.000	0.000
169	A	164	GLY	0	0.036	0.024	56.130	-0.001	-0.001	0.000	0.000	0.000	0.000
170	A	165	LYS	1	0.926	0.961	55.584	0.019	0.019	0.000	0.000	0.000	0.000
171	A	166	GLU	-1	-0.844	-0.914	56.427	-0.016	-0.016	0.000	0.000	0.000	0.000
172	A	167	VAL	0	-0.012	0.010	50.997	-0.001	-0.001	0.000	0.000	0.000	0.000
173	A	168	ALA	0	-0.019	-0.001	51.516	-0.001	-0.001	0.000	0.000	0.000	0.000
174	A	169	ALA	0	-0.006	-0.010	51.441	-0.002	-0.002	0.000	0.000	0.000	0.000
175	A	170	ALA	0	0.080	0.038	50.847	0.000	0.000	0.000	0.000	0.000	0.000
176	A	171	ARG	1	0.969	0.991	46.762	0.023	0.023	0.000	0.000	0.000	0.000
177	A	172	ARG	1	0.894	0.954	46.884	0.029	0.029	0.000	0.000	0.000	0.000
178	A	173	LYS	1	0.836	0.898	47.564	0.022	0.022	0.000	0.000	0.000	0.000
179	A	174	GLN	0	0.032	0.030	42.002	0.000	0.000	0.000	0.000	0.000	0.000
180	A	175	HIS	0	0.056	0.018	41.177	-0.001	-0.001	0.000	0.000	0.000	0.000
181	A	176	LEU	0	-0.044	-0.015	42.879	-0.002	-0.002	0.000	0.000	0.000	0.000
182	A	177	SER	0	0.016	-0.019	43.836	-0.002	-0.002	0.000	0.000	0.000	0.000
183	A	178	SER	0	-0.007	-0.004	39.625	-0.002	-0.002	0.000	0.000	0.000	0.000
184	A	179	LEU	0	-0.005	0.001	38.821	-0.003	-0.003	0.000	0.000	0.000	0.000
185	A	180	GLN	0	0.001	-0.010	39.178	-0.002	-0.002	0.000	0.000	0.000	0.000
186	A	181	TYR	0	-0.041	-0.049	36.888	-0.003	-0.003	0.000	0.000	0.000	0.000
187	A	182	TYR	0	0.032	0.005	34.896	-0.002	-0.002	0.000	0.000	0.000	0.000
188	A	183	CYS	0	-0.052	-0.030	34.820	-0.005	-0.005	0.000	0.000	0.000	0.000
189	A	184	ALA	0	0.013	0.024	35.747	-0.004	-0.004	0.000	0.000	0.000	0.000
190	A	185	LEU	0	0.029	0.015	32.423	-0.003	-0.003	0.000	0.000	0.000	0.000
191	A	186	ASN	0	0.014	0.004	30.814	-0.006	-0.006	0.000	0.000	0.000	0.000
192	A	187	ALA	0	0.007	0.005	31.022	-0.006	-0.006	0.000	0.000	0.000	0.000
193	A	188	LEU	0	-0.007	-0.002	31.924	-0.003	-0.003	0.000	0.000	0.000	0.000
194	A	189	GLN	0	0.006	0.011	27.020	-0.006	-0.006	0.000	0.000	0.000	0.000
195	A	190	TYR	0	-0.009	-0.002	27.747	-0.004	-0.004	0.000	0.000	0.000	0.000
196	A	191	ARG	1	0.852	0.898	30.121	0.062	0.062	0.000	0.000	0.000	0.000
197	A	192	LYS	1	0.849	0.940	26.520	0.091	0.091	0.000	0.000	0.000	0.000
198	A	193	GLN	0	-0.004	-0.001	24.244	0.004	0.004	0.000	0.000	0.000	0.000
199	A	194	MET	0	0.008	0.000	28.798	0.002	0.002	0.000	0.000	0.000	0.000
200	A	195	ALA	0	0.019	0.009	31.910	0.003	0.003	0.000	0.000	0.000	0.000
201	A	196	MET	0	-0.001	0.001	29.155	0.005	0.005	0.000	0.000	0.000	0.000
202	A	197	MET	0	-0.062	-0.030	27.581	0.000	0.000	0.000	0.000	0.000	0.000
203	A	198	GLU	-1	-0.946	-0.978	31.273	-0.061	-0.061	0.000	0.000	0.000	0.000
204	A	199	PRO	0	-0.033	-0.013	34.037	0.003	0.003	0.000	0.000	0.000	0.000
205	A	200	MET	0	0.020	-0.003	33.201	0.004	0.004	0.000	0.000	0.000	0.000
206	A	201	ILE	0	-0.009	0.007	32.399	0.002	0.002	0.000	0.000	0.000	0.000
207	A	202	GLY	0	0.036	0.019	35.998	0.002	0.002	0.000	0.000	0.000	0.000
208	A	203	PHE	0	0.005	-0.003	36.639	0.003	0.003	0.000	0.000	0.000	0.000
209	A	204	ALA	0	0.000	0.004	36.427	0.002	0.002	0.000	0.000	0.000	0.000
210	A	205	HIS	0	0.017	-0.003	37.805	0.002	0.002	0.000	0.000	0.000	0.000
211	A	206	GLY	0	0.024	0.021	40.967	0.002	0.002	0.000	0.000	0.000	0.000
212	A	207	GLN	0	0.014	-0.012	40.867	0.004	0.004	0.000	0.000	0.000	0.000
213	A	208	ILE	0	-0.008	0.010	38.455	0.001	0.001	0.000	0.000	0.000	0.000
214	A	209	ASN	0	-0.035	-0.025	42.848	0.003	0.003	0.000	0.000	0.000	0.000
215	A	210	PHE	0	-0.018	0.007	45.848	0.002	0.002	0.000	0.000	0.000	0.000
216	A	211	PHE	0	0.018	0.003	44.272	0.002	0.002	0.000	0.000	0.000	0.000
217	A	212	LYS	1	0.777	0.882	45.754	0.032	0.032	0.000	0.000	0.000	0.000
218	A	213	LYS	1	0.874	0.924	47.531	0.031	0.031	0.000	0.000	0.000	0.000
219	A	214	GLY	0	0.039	0.017	49.891	0.001	0.001	0.000	0.000	0.000	0.000
220	A	215	ALA	0	-0.026	-0.013	48.508	0.001	0.001	0.000	0.000	0.000	0.000
221	A	216	GLU	-1	-0.879	-0.918	50.638	-0.027	-0.027	0.000	0.000	0.000	0.000
222	A	217	MET	0	-0.027	-0.004	53.388	0.001	0.001	0.000	0.000	0.000	0.000
223	A	218	PHE	0	0.006	0.006	53.409	0.001	0.001	0.000	0.000	0.000	0.000
224	A	219	SER	0	0.024	0.027	54.101	0.000	0.000	0.000	0.000	0.000	0.000
225	A	220	LYS	1	0.921	0.906	52.410	0.022	0.022	0.000	0.000	0.000	0.000
226	A	221	ARG	1	0.961	0.996	57.307	0.018	0.018	0.000	0.000	0.000	0.000
227	A	222	MET	0	0.007	0.018	58.536	0.001	0.001	0.000	0.000	0.000	0.000
228	A	223	ASP	-1	-0.845	-0.911	56.225	-0.019	-0.019	0.000	0.000	0.000	0.000
229	A	224	SER	0	-0.045	-0.022	59.247	0.001	0.001	0.000	0.000	0.000	0.000
230	A	225	PHE	0	0.000	0.003	62.269	0.001	0.001	0.000	0.000	0.000	0.000
231	A	226	LEU	0	0.034	0.014	59.291	0.001	0.001	0.000	0.000	0.000	0.000
232	A	227	SER	0	0.007	0.013	62.802	0.000	0.000	0.000	0.000	0.000	0.000
233	A	228	SER	0	-0.050	-0.021	64.186	0.001	0.001	0.000	0.000	0.000	0.000
234	A	229	VAL	0	-0.002	-0.008	65.856	0.000	0.000	0.000	0.000	0.000	0.000
235	A	230	ALA	0	-0.005	-0.003	64.243	0.000	0.000	0.000	0.000	0.000	0.000
236	A	231	ASP	-1	-0.905	-0.958	66.395	-0.012	-0.012	0.000	0.000	0.000	0.000
237	A	232	MET	0	-0.047	-0.019	69.359	0.000	0.000	0.000	0.000	0.000	0.000
238	A	233	VAL	0	-0.003	0.000	67.848	0.000	0.000	0.000	0.000	0.000	0.000
239	A	234	GLN	0	0.031	0.020	69.354	0.000	0.000	0.000	0.000	0.000	0.000
240	A	235	SER	0	-0.037	-0.036	71.110	0.000	0.000	0.000	0.000	0.000	0.000
241	A	236	ILE	0	0.013	0.016	73.142	0.000	0.000	0.000	0.000	0.000	0.000
242	A	237	GLN	0	-0.019	-0.008	69.830	0.001	0.001	0.000	0.000	0.000	0.000
243	A	238	VAL	0	-0.005	-0.007	73.771	0.000	0.000	0.000	0.000	0.000	0.000
244	A	239	GLU	-1	-0.935	-0.968	76.155	-0.008	-0.008	0.000	0.000	0.000	0.000
245	A	240	LEU	0	-0.056	-0.011	74.876	0.000	0.000	0.000	0.000	0.000	0.000
246	A	241	GLU	-1	-0.903	-0.974	73.325	-0.008	-0.008	0.000	0.000	0.000	0.000
247	A	242	ALA	0	-0.040	-0.008	78.021	0.000	0.000	0.000	0.000	0.000	0.000
248	A	243	GLU	-1	-0.801	-0.889	81.321	-0.007	-0.007	0.000	0.000	0.000	0.000
249	A	244	ALA	0	-0.024	-0.009	79.624	0.000	0.000	0.000	0.000	0.000	0.000
250	A	245	GLU	-1	-0.786	-0.863	81.454	-0.006	-0.006	0.000	0.000	0.000	0.000
251	A	246	LYS	1	0.806	0.885	82.897	0.007	0.007	0.000	0.000	0.000	0.000
252	A	247	MET	0	-0.022	-0.009	84.547	0.000	0.000	0.000	0.000	0.000	0.000
253	A	248	ARG	1	0.814	0.889	82.277	0.006	0.006	0.000	0.000	0.000	0.000
254	A	249	VAL	0	-0.017	-0.006	85.555	0.000	0.000	0.000	0.000	0.000	0.000
255	A	250	SER	0	0.014	-0.008	88.377	0.000	0.000	0.000	0.000	0.000	0.000
256	A	251	GLN	0	-0.048	-0.021	85.907	0.000	0.000	0.000	0.000	0.000	0.000
257	A	252	GLN	0	-0.014	-0.012	88.705	0.000	0.000	0.000	0.000	0.000	0.000
258	A	253	GLU	-1	-0.932	-0.965	90.582	-0.005	-0.005	0.000	0.000	0.000	0.000
259	A	254	LEU	0	-0.045	-0.015	92.835	0.000	0.000	0.000	0.000	0.000	0.000
260	A	255	LEU	0	-0.047	-0.023	90.475	0.000	0.000	0.000	0.000	0.000	0.000
261	A	256	SER	0	-0.115	-0.055	94.566	0.000	0.000	0.000	0.000	0.000	0.000
262	A	257	VAL	0	-0.030	-0.013	96.294	0.000	0.000	0.000	0.000	0.000	0.000
263	A	258	ASP	-1	-0.810	-0.875	98.882	-0.003	-0.003	0.000	0.000	0.000	0.000
264	A	259	GLU	-1	-0.939	-0.997	100.924	-0.003	-0.003	0.000	0.000	0.000	0.000
265	A	260	SER	0	-0.052	-0.043	102.206	0.000	0.000	0.000	0.000	0.000	0.000
266	A	261	VAL	0	-0.042	-0.022	102.605	0.000	0.000	0.000	0.000	0.000	0.000
267	A	262	TYR	0	-0.037	-0.016	96.969	0.000	0.000	0.000	0.000	0.000	0.000
268	A	263	THR	0	-0.038	0.004	102.600	0.000	0.000	0.000	0.000	0.000	0.000
269	A	264	PRO	0	-0.042	-0.036	105.703	0.000	0.000	0.000	0.000	0.000	0.000
270	A	265	ASP	-1	-0.996	-1.012	108.509	-0.003	-0.003	0.000	0.000	0.000	0.000
271	A	266	SER	0	-0.002	0.020	108.874	0.000	0.000	0.000	0.000	0.000	0.000
272	A	267	ASP	-1	-0.928	-0.950	111.350	-0.003	-0.003	0.000	0.000	0.000	0.000
273	A	268	VAL	0	-0.049	-0.034	115.015	0.000	0.000	0.000	0.000	0.000	0.000
274	A	269	ALA	0	-0.039	-0.030	117.625	0.000	0.000	0.000	0.000	0.000	0.000
275	A	270	ALA	0	0.028	0.018	117.137	0.000	0.000	0.000	0.000	0.000	0.000
276	A	271	PRO	0	0.040	0.053	115.950	0.000	0.000	0.000	0.000	0.000	0.000
277	A	272	GLN	0	0.014	-0.023	113.539	0.000	0.000	0.000	0.000	0.000	0.000
278	A	273	ILE	0	-0.043	-0.011	114.969	0.000	0.000	0.000	0.000	0.000	0.000
279	A	274	ASN	0	0.023	0.011	114.514	0.000	0.000	0.000	0.000	0.000	0.000
280	A	275	ARG	1	0.886	0.912	117.304	0.003	0.003	0.000	0.000	0.000	0.000
281	A	276	ASN	0	-0.042	-0.018	119.227	0.000	0.000	0.000	0.000	0.000	0.000
282	A	277	LEU	0	-0.005	0.008	113.675	0.000	0.000	0.000	0.000	0.000	0.000
283	A	278	ILE	0	0.041	-0.002	115.755	0.000	0.000	0.000	0.000	0.000	0.000
284	A	279	GLN	0	0.000	0.007	107.896	0.000	0.000	0.000	0.000	0.000	0.000
285	A	280	LYS	1	0.831	0.899	110.941	0.004	0.004	0.000	0.000	0.000	0.000
286	A	281	ALA	0	0.052	0.031	107.554	0.000	0.000	0.000	0.000	0.000	0.000
287	A	282	GLY	0	0.010	0.016	106.610	0.000	0.000	0.000	0.000	0.000	0.000
288	A	283	TYR	0	-0.015	-0.002	100.421	0.000	0.000	0.000	0.000	0.000	0.000
289	A	284	LEU	0	-0.028	0.002	106.887	0.000	0.000	0.000	0.000	0.000	0.000
290	A	285	ASN	0	-0.037	-0.027	108.695	0.000	0.000	0.000	0.000	0.000	0.000
291	A	286	LEU	0	0.020	0.012	110.408	0.000	0.000	0.000	0.000	0.000	0.000
292	A	287	ARG	1	0.857	0.932	112.159	0.003	0.003	0.000	0.000	0.000	0.000
293	A	288	ASN	0	0.012	0.003	110.408	0.000	0.000	0.000	0.000	0.000	0.000
294	A	289	LYS	1	0.812	0.916	114.226	0.003	0.003	0.000	0.000	0.000	0.000
295	A	290	THR	0	0.039	0.019	111.238	0.000	0.000	0.000	0.000	0.000	0.000
296	A	291	GLY	0	0.069	0.033	114.312	0.000	0.000	0.000	0.000	0.000	0.000
297	A	292	LEU	0	0.011	-0.011	117.177	0.000	0.000	0.000	0.000	0.000	0.000
298	A	293	VAL	0	0.002	0.003	119.461	0.000	0.000	0.000	0.000	0.000	0.000
299	A	294	THR	0	0.018	0.009	114.518	0.000	0.000	0.000	0.000	0.000	0.000
300	A	295	THR	0	-0.054	-0.036	115.063	0.000	0.000	0.000	0.000	0.000	0.000
301	A	296	THR	0	-0.023	-0.008	109.690	0.000	0.000	0.000	0.000	0.000	0.000
302	A	297	TRP	0	-0.010	-0.038	110.539	0.000	0.000	0.000	0.000	0.000	0.000
303	A	298	GLU	-1	-0.913	-0.947	104.662	-0.005	-0.005	0.000	0.000	0.000	0.000
304	A	299	ARG	1	0.860	0.926	103.230	0.004	0.004	0.000	0.000	0.000	0.000
305	A	300	LEU	0	-0.004	-0.007	104.865	0.000	0.000	0.000	0.000	0.000	0.000
306	A	301	TYR	0	-0.037	-0.020	103.770	0.000	0.000	0.000	0.000	0.000	0.000
307	A	302	PHE	0	0.041	0.009	105.887	0.000	0.000	0.000	0.000	0.000	0.000
308	A	303	PHE	0	-0.018	-0.019	105.708	0.000	0.000	0.000	0.000	0.000	0.000
309	A	304	THR	0	0.044	0.028	109.589	0.000	0.000	0.000	0.000	0.000	0.000
310	A	305	GLN	0	-0.001	-0.018	107.367	0.000	0.000	0.000	0.000	0.000	0.000
311	A	306	GLY	0	-0.008	0.008	112.171	0.000	0.000	0.000	0.000	0.000	0.000
312	A	307	GLY	0	0.032	0.004	114.791	0.000	0.000	0.000	0.000	0.000	0.000
313	A	308	ASN	0	-0.012	0.005	114.139	0.000	0.000	0.000	0.000	0.000	0.000
314	A	309	LEU	0	0.036	0.024	112.931	0.000	0.000	0.000	0.000	0.000	0.000
315	A	310	MET	0	-0.028	-0.005	108.914	0.000	0.000	0.000	0.000	0.000	0.000
316	A	311	CYS	0	-0.009	-0.016	108.395	0.000	0.000	0.000	0.000	0.000	0.000
317	A	312	GLN	0	0.011	0.017	100.290	0.000	0.000	0.000	0.000	0.000	0.000
318	A	313	PRO	0	0.086	0.038	102.254	0.000	0.000	0.000	0.000	0.000	0.000
319	A	314	ARG	1	0.975	0.975	97.292	0.005	0.005	0.000	0.000	0.000	0.000
320	A	315	GLY	0	-0.009	-0.005	96.210	0.000	0.000	0.000	0.000	0.000	0.000
321	A	316	ALA	0	-0.029	0.006	96.815	0.000	0.000	0.000	0.000	0.000	0.000
322	A	317	VAL	0	-0.002	-0.005	96.579	0.000	0.000	0.000	0.000	0.000	0.000
323	A	318	ALA	0	0.027	0.008	98.546	0.000	0.000	0.000	0.000	0.000	0.000
324	A	319	GLY	0	-0.006	-0.009	101.878	0.000	0.000	0.000	0.000	0.000	0.000
325	A	320	GLY	0	-0.018	-0.032	105.464	0.000	0.000	0.000	0.000	0.000	0.000
326	A	321	LEU	0	-0.054	-0.019	108.193	0.000	0.000	0.000	0.000	0.000	0.000
327	A	322	ILE	0	-0.016	0.001	111.806	0.000	0.000	0.000	0.000	0.000	0.000
328	A	323	GLN	0	-0.043	-0.032	113.927	0.000	0.000	0.000	0.000	0.000	0.000
329	A	324	ASP	-1	-0.829	-0.874	116.990	-0.004	-0.004	0.000	0.000	0.000	0.000
330	A	325	LEU	0	-0.079	-0.072	118.490	0.000	0.000	0.000	0.000	0.000	0.000
331	A	326	ASP	-1	-0.889	-0.929	119.787	-0.004	-0.004	0.000	0.000	0.000	0.000
332	A	327	ASN	0	-0.059	-0.027	123.559	0.000	0.000	0.000	0.000	0.000	0.000
333	A	328	CYS	0	-0.007	-0.015	122.646	0.000	0.000	0.000	0.000	0.000	0.000
334	A	329	SER	0	-0.052	-0.015	125.225	0.000	0.000	0.000	0.000	0.000	0.000
335	A	330	VAL	0	-0.010	0.011	120.499	0.000	0.000	0.000	0.000	0.000	0.000
336	A	331	MET	0	0.000	0.002	123.645	0.000	0.000	0.000	0.000	0.000	0.000
337	A	332	ALA	0	0.031	0.003	122.403	0.000	0.000	0.000	0.000	0.000	0.000
338	A	333	VAL	0	-0.063	-0.047	122.284	0.000	0.000	0.000	0.000	0.000	0.000
339	A	334	ASP	-1	-0.847	-0.898	122.181	-0.003	-0.003	0.000	0.000	0.000	0.000
340	A	335	CYS	0	-0.048	-0.046	119.490	0.000	0.000	0.000	0.000	0.000	0.000
341	A	336	GLU	-1	-0.819	-0.887	116.509	-0.003	-0.003	0.000	0.000	0.000	0.000
342	A	337	ASP	-1	-0.902	-0.939	118.911	-0.003	-0.003	0.000	0.000	0.000	0.000
343	A	338	ARG	1	0.844	0.948	111.829	0.003	0.003	0.000	0.000	0.000	0.000
344	A	339	ARG	1	0.995	0.989	112.838	0.003	0.003	0.000	0.000	0.000	0.000
345	A	340	TYR	0	0.014	0.002	114.374	0.000	0.000	0.000	0.000	0.000	0.000
346	A	341	CYS	0	0.013	0.013	116.600	0.000	0.000	0.000	0.000	0.000	0.000
347	A	342	PHE	0	0.008	0.003	115.366	0.000	0.000	0.000	0.000	0.000	0.000
348	A	343	GLN	0	-0.012	0.001	119.211	0.000	0.000	0.000	0.000	0.000	0.000
349	A	344	ILE	0	0.017	0.009	117.487	0.000	0.000	0.000	0.000	0.000	0.000
350	A	345	THR	0	-0.066	-0.039	121.725	0.000	0.000	0.000	0.000	0.000	0.000
351	A	346	THR	0	0.049	0.016	122.873	0.000	0.000	0.000	0.000	0.000	0.000
352	A	347	PRO	0	0.102	0.042	124.975	0.000	0.000	0.000	0.000	0.000	0.000
353	A	348	ASN	0	-0.093	-0.043	127.761	0.000	0.000	0.000	0.000	0.000	0.000
354	A	349	GLY	0	0.045	0.039	129.069	0.000	0.000	0.000	0.000	0.000	0.000
355	A	350	LYS	1	0.884	0.927	128.795	0.003	0.003	0.000	0.000	0.000	0.000
356	A	351	SER	0	-0.038	-0.015	124.302	0.000	0.000	0.000	0.000	0.000	0.000
357	A	352	GLY	0	0.077	0.047	122.582	0.000	0.000	0.000	0.000	0.000	0.000
358	A	353	ILE	0	-0.011	0.010	115.721	0.000	0.000	0.000	0.000	0.000	0.000
359	A	354	ILE	0	-0.023	-0.031	117.992	0.000	0.000	0.000	0.000	0.000	0.000
360	A	355	LEU	0	0.031	0.022	113.140	0.000	0.000	0.000	0.000	0.000	0.000
361	A	356	GLN	0	0.017	-0.007	113.031	0.000	0.000	0.000	0.000	0.000	0.000
362	A	357	ALA	0	-0.008	0.001	112.274	0.000	0.000	0.000	0.000	0.000	0.000
363	A	358	GLU	-1	-0.852	-0.934	106.905	-0.004	-0.004	0.000	0.000	0.000	0.000
364	A	359	SER	0	0.121	0.034	111.034	0.000	0.000	0.000	0.000	0.000	0.000
365	A	360	ARG	1	0.837	0.934	113.024	0.003	0.003	0.000	0.000	0.000	0.000
366	A	361	LYS	1	0.910	0.930	111.191	0.003	0.003	0.000	0.000	0.000	0.000
367	A	362	GLU	-1	-0.826	-0.902	110.629	-0.004	-0.004	0.000	0.000	0.000	0.000
368	A	363	ASN	0	-0.049	-0.033	113.923	0.000	0.000	0.000	0.000	0.000	0.000
369	A	364	GLU	-1	-0.730	-0.849	116.825	-0.003	-0.003	0.000	0.000	0.000	0.000
370	A	365	GLU	-1	-0.801	-0.875	113.396	-0.004	-0.004	0.000	0.000	0.000	0.000
371	A	366	TRP	0	-0.020	-0.014	110.389	0.000	0.000	0.000	0.000	0.000	0.000
372	A	367	ILE	0	-0.026	-0.004	116.589	0.000	0.000	0.000	0.000	0.000	0.000
373	A	368	CYS	0	-0.064	-0.044	120.270	0.000	0.000	0.000	0.000	0.000	0.000
374	A	369	ALA	0	0.027	0.028	116.753	0.000	0.000	0.000	0.000	0.000	0.000
375	A	370	ILE	0	0.045	0.013	116.953	0.000	0.000	0.000	0.000	0.000	0.000
376	A	371	ASN	0	-0.020	-0.017	119.818	0.000	0.000	0.000	0.000	0.000	0.000
377	A	372	ASN	0	-0.071	-0.028	120.390	0.000	0.000	0.000	0.000	0.000	0.000
378	A	373	ILE	0	-0.027	-0.004	116.952	0.000	0.000	0.000	0.000	0.000	0.000
379	A	374	SER	0	0.003	-0.002	120.769	0.000	0.000	0.000	0.000	0.000	0.000
380	A	375	ARG	1	0.883	0.958	123.833	0.003	0.003	0.000	0.000	0.000	0.000
381	A	376	GLN	0	-0.009	-0.005	120.288	0.000	0.000	0.000	0.000	0.000	0.000
382	A	377	ILE	0	-0.009	0.008	123.602	0.000	0.000	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(A:-4:TYR)