FMO DATABASE

FMODB ID: R1RZ8

Calculation Name: 1EA9-C-Xray307

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 1EA9

Chain ID: C

ChEMBL ID:

UniProt ID: Q59226

Base Structure: X-ray

Registration Date: 2021-09-06

Reference: C. Watanabe, S. Koyama, K. Kamisaka, D. Takaya, T. Honma et. al., Interaction energy analysis of Apo structure dataset on FMODB, To be pubulished.

DOI:

IFIE MAP

IFIE Diagram

Modeling method

Optimization	MOE:Amber10:EHT
Restraint	OptH
Protonation	MOE:Protonate 3D
Complement	MOE:Structure Preparation
Water	No
Procedure	Auto-FMO protocol ver. 1.20200116

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	583
LigandCharge
Software	ABINIT-MP - Open Ver.1 Rev. 15 / 20190524

Total energy (hartree)

FMO2-HF: Electronic energy	-13544212.193631
FMO2-HF: Nuclear repulsion	13307547.391938
FMO2-HF: Total energy	-236664.801693
FMO2-MP2: Total energy	-237361.843171

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(C:1:MET )

Summations of interaction energy for fragment #1(C:1:MET )

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.
-23.173	-21.816	29.591	-8.332	-22.615	-0.059

Interaction energy analysis for fragmet #1(C:1:MET )

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : -0.047 / q_NPA : -0.007

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	C	3	LEU	0	0.036	0.017	2.886	-3.395	-0.952	0.089	-0.871	-1.661	0.003
4	C	4	GLU	-1	-0.938	-0.959	4.799	1.309	1.512	0.000	-0.022	-0.181	0.000
5	C	5	ALA	0	-0.032	-0.008	6.509	0.015	0.015	0.000	0.000	0.000	0.000
6	C	6	VAL	0	0.019	-0.004	5.396	0.021	0.021	0.000	0.000	0.000	0.000
7	C	7	TYR	0	-0.063	-0.031	8.199	-0.021	-0.021	0.000	0.000	0.000	0.000
8	C	8	HIS	0	0.019	-0.002	11.819	-0.004	-0.004	0.000	0.000	0.000	0.000
9	C	9	ARG	1	0.918	0.977	14.300	-0.180	-0.180	0.000	0.000	0.000	0.000
10	C	10	PRO	0	0.037	0.002	17.981	-0.016	-0.016	0.000	0.000	0.000	0.000
11	C	11	ARG	1	0.922	0.955	20.550	-0.106	-0.106	0.000	0.000	0.000	0.000
12	C	12	LYS	1	0.983	0.993	21.733	-0.106	-0.106	0.000	0.000	0.000	0.000
13	C	13	ASN	0	-0.079	-0.043	18.392	0.001	0.001	0.000	0.000	0.000	0.000
14	C	14	PHE	0	-0.062	-0.050	14.419	0.002	0.002	0.000	0.000	0.000	0.000
15	C	15	SER	0	-0.033	-0.002	17.864	0.014	0.014	0.000	0.000	0.000	0.000
16	C	16	TYR	0	0.004	0.026	20.378	-0.007	-0.007	0.000	0.000	0.000	0.000
17	C	17	ALA	0	0.060	0.028	23.738	-0.002	-0.002	0.000	0.000	0.000	0.000
18	C	18	TYR	0	-0.054	-0.019	25.993	-0.001	-0.001	0.000	0.000	0.000	0.000
19	C	19	ASN	0	0.095	0.048	27.653	0.002	0.002	0.000	0.000	0.000	0.000
20	C	20	GLY	0	0.031	-0.002	29.675	0.005	0.005	0.000	0.000	0.000	0.000
21	C	21	THR	0	-0.075	-0.069	29.415	-0.002	-0.002	0.000	0.000	0.000	0.000
22	C	22	THR	0	0.037	0.012	24.787	0.000	0.000	0.000	0.000	0.000	0.000
23	C	23	VAL	0	-0.045	-0.035	21.741	0.005	0.005	0.000	0.000	0.000	0.000
24	C	24	HIS	0	-0.004	0.021	20.600	-0.004	-0.004	0.000	0.000	0.000	0.000
25	C	25	LEU	0	-0.044	-0.028	15.802	0.018	0.018	0.000	0.000	0.000	0.000
26	C	26	ARG	1	0.879	0.961	15.484	-0.070	-0.070	0.000	0.000	0.000	0.000
27	C	27	ILE	0	-0.020	-0.014	9.091	0.038	0.038	0.000	0.000	0.000	0.000
28	C	28	ARG	1	0.922	0.978	10.552	-0.225	-0.225	0.000	0.000	0.000	0.000
29	C	29	THR	0	0.017	-0.005	5.463	0.044	0.044	0.000	0.000	0.000	0.000
30	C	30	LYS	1	1.012	1.017	6.225	0.139	0.139	0.000	0.000	0.000	0.000
31	C	31	LYS	1	0.877	0.963	7.789	-0.019	-0.019	0.000	0.000	0.000	0.000
32	C	32	ASP	-1	-0.830	-0.907	9.071	-0.362	-0.362	0.000	0.000	0.000	0.000
33	C	33	ASP	-1	-0.944	-0.972	3.245	-6.555	-4.657	0.182	-1.124	-0.956	-0.009
34	C	34	MET	0	0.014	-0.008	2.035	0.147	-3.646	9.525	-1.518	-4.214	0.004
35	C	35	THR	0	-0.036	0.048	4.091	-0.063	0.089	0.000	-0.020	-0.132	0.000
36	C	36	ALA	0	0.011	0.002	4.890	0.294	0.294	0.000	0.000	0.000	0.000
37	C	37	VAL	0	0.008	0.040	5.170	0.184	0.292	0.000	-0.005	-0.103	0.000
38	C	38	TYR	0	-0.017	0.004	7.525	-0.115	-0.115	0.000	0.000	0.000	0.000
39	C	39	ALA	0	0.065	0.005	10.321	0.141	0.141	0.000	0.000	0.000	0.000
40	C	40	LEU	0	-0.020	0.029	12.398	-0.058	-0.058	0.000	0.000	0.000	0.000
41	C	41	ALA	0	0.024	-0.002	14.096	0.037	0.037	0.000	0.000	0.000	0.000
42	C	42	GLY	0	0.115	0.029	17.712	-0.023	-0.023	0.000	0.000	0.000	0.000
43	C	43	ASP	-1	-0.783	-0.899	21.270	0.043	0.043	0.000	0.000	0.000	0.000
44	C	44	LYS	1	0.829	0.922	23.434	-0.079	-0.079	0.000	0.000	0.000	0.000
45	C	45	TYR	0	-0.044	-0.022	24.407	0.000	0.000	0.000	0.000	0.000	0.000
46	C	46	MET	0	-0.014	0.003	26.505	-0.001	-0.001	0.000	0.000	0.000	0.000
47	C	47	TRP	0	0.063	0.057	17.041	-0.003	-0.003	0.000	0.000	0.000	0.000
48	C	48	ASP	-1	-0.828	-0.943	22.461	-0.004	-0.004	0.000	0.000	0.000	0.000
49	C	49	HIS	0	-0.129	-0.089	23.316	-0.006	-0.006	0.000	0.000	0.000	0.000
50	C	50	THR	0	-0.073	-0.040	23.402	0.002	0.002	0.000	0.000	0.000	0.000
51	C	51	MET	0	-0.045	0.021	18.023	0.006	0.006	0.000	0.000	0.000	0.000
52	C	52	GLU	-1	-0.942	-0.968	18.318	-0.044	-0.044	0.000	0.000	0.000	0.000
53	C	53	TYR	0	-0.045	-0.041	10.155	0.007	0.007	0.000	0.000	0.000	0.000
54	C	54	VAL	0	0.039	0.011	14.700	-0.024	-0.024	0.000	0.000	0.000	0.000
55	C	55	PRO	0	-0.012	-0.020	12.644	0.034	0.034	0.000	0.000	0.000	0.000
56	C	56	MET	0	-0.019	0.033	10.945	-0.006	-0.006	0.000	0.000	0.000	0.000
57	C	57	THR	0	0.000	-0.010	11.870	-0.059	-0.059	0.000	0.000	0.000	0.000
58	C	58	LYS	1	0.811	0.929	11.123	0.400	0.400	0.000	0.000	0.000	0.000
59	C	59	LEU	0	-0.018	-0.001	13.928	-0.007	-0.007	0.000	0.000	0.000	0.000
60	C	60	ALA	0	0.004	-0.014	15.839	0.001	0.001	0.000	0.000	0.000	0.000
61	C	61	THR	0	0.001	-0.023	13.076	0.000	0.000	0.000	0.000	0.000	0.000
62	C	62	ASP	-1	-0.860	-0.921	14.913	0.000	0.000	0.000	0.000	0.000	0.000
63	C	63	GLU	-1	-0.943	-0.982	15.860	0.015	0.015	0.000	0.000	0.000	0.000
64	C	64	LEU	0	-0.072	-0.073	12.413	-0.028	-0.028	0.000	0.000	0.000	0.000
65	C	65	PHE	0	-0.066	-0.066	9.656	-0.001	-0.001	0.000	0.000	0.000	0.000
66	C	66	ASP	-1	-0.764	-0.829	8.956	-0.378	-0.378	0.000	0.000	0.000	0.000
67	C	67	TYR	0	-0.048	-0.035	10.634	0.104	0.104	0.000	0.000	0.000	0.000
68	C	68	TRP	0	-0.038	-0.031	7.593	0.071	0.071	0.000	0.000	0.000	0.000
69	C	69	GLU	-1	-0.871	-0.934	13.576	0.000	0.000	0.000	0.000	0.000	0.000
70	C	70	CYS	0	-0.010	-0.032	15.029	0.019	0.019	0.000	0.000	0.000	0.000
71	C	71	GLU	-1	-0.938	-0.950	17.218	-0.003	-0.003	0.000	0.000	0.000	0.000
72	C	72	VAL	0	0.032	0.011	19.875	-0.007	-0.007	0.000	0.000	0.000	0.000
73	C	73	THR	0	0.014	0.006	21.765	0.003	0.003	0.000	0.000	0.000	0.000
74	C	74	PRO	0	-0.055	-0.010	23.429	-0.005	-0.005	0.000	0.000	0.000	0.000
75	C	75	PRO	0	0.062	0.034	24.449	-0.002	-0.002	0.000	0.000	0.000	0.000
76	C	76	TYR	0	-0.072	-0.043	27.582	-0.004	-0.004	0.000	0.000	0.000	0.000
77	C	77	ARG	1	0.944	0.974	28.782	-0.012	-0.012	0.000	0.000	0.000	0.000
78	C	78	ARG	1	0.917	0.963	26.712	-0.029	-0.029	0.000	0.000	0.000	0.000
79	C	79	VAL	0	0.032	0.020	20.391	-0.005	-0.005	0.000	0.000	0.000	0.000
80	C	80	LYS	1	0.827	0.951	20.075	-0.106	-0.106	0.000	0.000	0.000	0.000
81	C	81	TYR	0	-0.028	-0.051	15.285	-0.030	-0.030	0.000	0.000	0.000	0.000
82	C	82	GLY	0	0.056	0.028	13.055	0.014	0.014	0.000	0.000	0.000	0.000
83	C	83	PHE	0	-0.014	-0.021	9.239	-0.021	-0.021	0.000	0.000	0.000	0.000
84	C	84	LEU	0	-0.065	-0.020	5.431	0.035	0.035	0.000	0.000	0.000	0.000
85	C	85	LEU	0	0.011	-0.016	3.330	-1.353	-0.539	0.432	-0.278	-0.968	0.003
86	C	86	GLN	0	0.020	-0.018	2.574	-2.711	-1.436	2.078	-0.941	-2.411	-0.014
87	C	87	GLN	0	0.025	-0.038	2.005	1.304	-4.664	14.751	-2.460	-6.324	-0.010
88	C	88	GLY	0	0.005	0.013	2.991	1.697	-0.164	0.007	2.148	-0.294	0.000
89	C	89	HIS	0	-0.030	-0.024	6.468	0.365	0.365	0.000	0.000	0.000	0.000
90	C	90	GLU	-1	-0.993	-0.990	2.485	-12.906	-8.688	1.648	-2.429	-3.437	-0.028
91	C	91	LYS	1	0.941	0.958	2.719	-1.423	-0.470	0.848	-0.670	-1.131	-0.008
92	C	92	ARG	1	0.943	0.967	3.388	-0.292	0.423	0.031	-0.127	-0.618	0.000
93	C	93	TRP	0	0.051	0.031	4.883	0.580	0.780	0.000	-0.015	-0.185	0.000
94	C	94	MET	0	-0.076	-0.020	7.650	-0.005	-0.005	0.000	0.000	0.000	0.000
95	C	95	THR	0	-0.056	-0.023	9.597	-0.171	-0.171	0.000	0.000	0.000	0.000
96	C	96	GLU	-1	-0.901	-0.954	13.330	0.231	0.231	0.000	0.000	0.000	0.000
97	C	97	TYR	0	-0.126	-0.058	15.465	-0.024	-0.024	0.000	0.000	0.000	0.000
98	C	98	ASP	-1	-0.875	-0.930	12.122	0.352	0.352	0.000	0.000	0.000	0.000
99	C	99	PHE	0	-0.012	-0.016	7.183	0.096	0.096	0.000	0.000	0.000	0.000
100	C	100	LEU	0	0.022	0.018	9.247	-0.091	-0.091	0.000	0.000	0.000	0.000
101	C	101	THR	0	0.015	-0.002	8.339	0.081	0.081	0.000	0.000	0.000	0.000
102	C	102	GLU	-1	-0.991	-0.996	9.477	-0.230	-0.230	0.000	0.000	0.000	0.000
103	C	103	PRO	0	-0.011	-0.012	11.654	0.062	0.062	0.000	0.000	0.000	0.000
104	C	104	PRO	0	0.004	-0.011	11.758	-0.005	-0.005	0.000	0.000	0.000	0.000
105	C	105	ALA	0	0.002	0.020	14.946	-0.017	-0.017	0.000	0.000	0.000	0.000
106	C	106	ASN	0	-0.016	-0.008	18.490	0.001	0.001	0.000	0.000	0.000	0.000
107	C	107	PRO	0	0.056	0.009	18.981	0.020	0.020	0.000	0.000	0.000	0.000
108	C	108	ASP	-1	-0.880	-0.962	20.036	0.093	0.093	0.000	0.000	0.000	0.000
109	C	109	ARG	1	0.920	0.958	17.707	-0.165	-0.165	0.000	0.000	0.000	0.000
110	C	110	LEU	0	-0.036	0.019	15.006	0.041	0.041	0.000	0.000	0.000	0.000
111	C	111	PHE	0	0.079	0.024	12.629	-0.024	-0.024	0.000	0.000	0.000	0.000
112	C	112	GLU	-1	-0.807	-0.922	17.957	0.069	0.069	0.000	0.000	0.000	0.000
113	C	113	TYR	0	-0.045	-0.010	21.315	0.002	0.002	0.000	0.000	0.000	0.000
114	C	114	PRO	0	-0.067	-0.044	23.566	-0.010	-0.010	0.000	0.000	0.000	0.000
115	C	115	PHE	0	0.005	-0.014	26.996	-0.006	-0.006	0.000	0.000	0.000	0.000
116	C	116	ILE	0	-0.028	0.030	26.923	0.001	0.001	0.000	0.000	0.000	0.000
117	C	117	ASN	0	-0.023	-0.010	29.838	-0.002	-0.002	0.000	0.000	0.000	0.000
118	C	118	PRO	0	-0.007	-0.021	33.088	0.001	0.001	0.000	0.000	0.000	0.000
119	C	119	VAL	0	-0.049	-0.011	34.659	-0.002	-0.002	0.000	0.000	0.000	0.000
120	C	120	ASP	-1	-0.880	-0.964	31.874	0.046	0.046	0.000	0.000	0.000	0.000
121	C	121	VAL	0	-0.048	-0.003	30.997	0.002	0.002	0.000	0.000	0.000	0.000
122	C	122	PHE	0	-0.009	0.032	29.766	-0.002	-0.002	0.000	0.000	0.000	0.000
123	C	123	GLN	0	-0.057	-0.030	32.220	-0.003	-0.003	0.000	0.000	0.000	0.000
124	C	124	PRO	0	0.005	0.015	32.859	-0.001	-0.001	0.000	0.000	0.000	0.000
125	C	125	PRO	0	0.026	0.001	35.949	-0.002	-0.002	0.000	0.000	0.000	0.000
126	C	126	ALA	0	0.020	0.012	36.870	-0.001	-0.001	0.000	0.000	0.000	0.000
127	C	127	TRP	0	-0.029	-0.007	37.840	-0.003	-0.003	0.000	0.000	0.000	0.000
128	C	128	VAL	0	-0.014	-0.010	36.307	-0.001	-0.001	0.000	0.000	0.000	0.000
129	C	129	LYS	1	0.949	0.974	33.568	0.001	0.001	0.000	0.000	0.000	0.000
130	C	130	ASP	-1	-0.905	-0.949	37.202	-0.008	-0.008	0.000	0.000	0.000	0.000
131	C	131	ALA	0	-0.021	0.018	40.339	-0.001	-0.001	0.000	0.000	0.000	0.000
132	C	132	ILE	0	-0.030	-0.032	40.043	0.000	0.000	0.000	0.000	0.000	0.000
133	C	133	PHE	0	0.010	-0.013	41.168	0.001	0.001	0.000	0.000	0.000	0.000
134	C	134	TYR	0	-0.009	-0.041	43.045	-0.001	-0.001	0.000	0.000	0.000	0.000
135	C	135	GLN	0	0.019	0.010	43.285	0.002	0.002	0.000	0.000	0.000	0.000
136	C	136	ILE	0	0.010	0.002	45.973	-0.001	-0.001	0.000	0.000	0.000	0.000
137	C	137	PHE	0	0.026	-0.004	49.504	0.001	0.001	0.000	0.000	0.000	0.000
138	C	138	PRO	0	-0.048	-0.028	51.211	-0.001	-0.001	0.000	0.000	0.000	0.000
139	C	139	GLU	-1	-0.827	-0.911	54.446	0.011	0.011	0.000	0.000	0.000	0.000
140	C	140	ARG	1	0.882	1.004	54.062	-0.013	-0.013	0.000	0.000	0.000	0.000
141	C	141	PHE	0	0.025	0.019	53.830	-0.001	-0.001	0.000	0.000	0.000	0.000
142	C	142	ALA	0	-0.017	-0.015	56.056	-0.001	-0.001	0.000	0.000	0.000	0.000
143	C	143	ASN	0	0.024	-0.001	59.364	0.001	0.001	0.000	0.000	0.000	0.000
144	C	144	GLY	0	-0.043	0.003	62.661	0.000	0.000	0.000	0.000	0.000	0.000
145	C	145	ASP	-1	-0.937	-0.964	64.769	0.006	0.006	0.000	0.000	0.000	0.000
146	C	146	THR	0	-0.063	-0.044	66.447	0.000	0.000	0.000	0.000	0.000	0.000
147	C	147	ARG	1	0.837	0.930	68.612	-0.006	-0.006	0.000	0.000	0.000	0.000
148	C	148	ASN	0	0.030	0.039	64.154	0.000	0.000	0.000	0.000	0.000	0.000
149	C	149	ASP	-1	-0.832	-0.929	64.391	0.012	0.012	0.000	0.000	0.000	0.000
150	C	150	PRO	0	-0.104	-0.056	67.144	-0.001	-0.001	0.000	0.000	0.000	0.000
151	C	151	GLU	-1	-0.947	-0.976	64.115	0.012	0.012	0.000	0.000	0.000	0.000
152	C	152	GLY	0	-0.012	-0.011	64.363	0.000	0.000	0.000	0.000	0.000	0.000
153	C	153	THR	0	0.041	0.036	64.848	0.000	0.000	0.000	0.000	0.000	0.000
154	C	154	LEU	0	0.010	-0.010	61.064	0.000	0.000	0.000	0.000	0.000	0.000
155	C	155	PRO	0	-0.029	-0.020	58.955	0.000	0.000	0.000	0.000	0.000	0.000
156	C	156	TRP	0	0.064	0.032	58.896	0.000	0.000	0.000	0.000	0.000	0.000
157	C	157	GLY	0	0.006	-0.011	58.806	0.000	0.000	0.000	0.000	0.000	0.000
158	C	158	SER	0	-0.063	-0.055	57.269	-0.001	-0.001	0.000	0.000	0.000	0.000
159	C	159	ALA	0	0.050	0.019	54.246	0.000	0.000	0.000	0.000	0.000	0.000
160	C	160	ASP	-1	-0.872	-0.918	53.653	0.013	0.013	0.000	0.000	0.000	0.000
161	C	161	PRO	0	-0.140	-0.059	54.099	0.000	0.000	0.000	0.000	0.000	0.000
162	C	162	THR	0	0.009	0.038	54.334	0.000	0.000	0.000	0.000	0.000	0.000
163	C	163	PRO	0	0.049	0.037	55.267	0.001	0.001	0.000	0.000	0.000	0.000
164	C	164	SER	0	0.004	0.005	54.874	0.000	0.000	0.000	0.000	0.000	0.000
165	C	165	CYS	0	-0.084	-0.060	56.502	0.000	0.000	0.000	0.000	0.000	0.000
166	C	166	PHE	0	-0.022	-0.012	59.813	0.000	0.000	0.000	0.000	0.000	0.000
167	C	167	PHE	0	-0.046	-0.024	58.103	0.000	0.000	0.000	0.000	0.000	0.000
168	C	168	GLY	0	0.059	0.032	61.229	0.000	0.000	0.000	0.000	0.000	0.000
169	C	169	GLY	0	-0.032	-0.008	58.726	-0.001	-0.001	0.000	0.000	0.000	0.000
170	C	170	ASP	-1	-0.696	-0.870	59.711	0.008	0.008	0.000	0.000	0.000	0.000
171	C	171	LEU	0	0.012	-0.011	55.894	0.000	0.000	0.000	0.000	0.000	0.000
172	C	172	GLN	0	-0.004	-0.030	59.047	-0.001	-0.001	0.000	0.000	0.000	0.000
173	C	173	GLY	0	0.118	0.030	60.552	-0.001	-0.001	0.000	0.000	0.000	0.000
174	C	174	VAL	0	-0.109	-0.055	54.821	-0.001	-0.001	0.000	0.000	0.000	0.000
175	C	175	ILE	0	-0.089	-0.036	57.702	-0.001	-0.001	0.000	0.000	0.000	0.000
176	C	176	ASP	-1	-0.822	-0.867	59.936	0.003	0.003	0.000	0.000	0.000	0.000
177	C	177	HIS	1	0.835	0.920	57.845	-0.003	-0.003	0.000	0.000	0.000	0.000
178	C	178	LEU	0	0.116	0.047	54.868	0.000	0.000	0.000	0.000	0.000	0.000
179	C	179	ASP	-1	-0.890	-0.925	55.897	-0.002	-0.002	0.000	0.000	0.000	0.000
180	C	180	HIS	0	0.004	0.001	53.269	-0.001	-0.001	0.000	0.000	0.000	0.000
181	C	181	LEU	0	0.020	0.019	51.550	-0.001	-0.001	0.000	0.000	0.000	0.000
182	C	182	SER	0	-0.028	-0.016	52.079	-0.001	-0.001	0.000	0.000	0.000	0.000
183	C	183	LYS	1	0.887	0.958	53.493	0.002	0.002	0.000	0.000	0.000	0.000
184	C	184	LEU	0	-0.067	-0.043	47.709	-0.001	-0.001	0.000	0.000	0.000	0.000
185	C	185	GLY	0	-0.027	-0.014	49.296	-0.001	-0.001	0.000	0.000	0.000	0.000
186	C	186	VAL	0	0.008	-0.009	46.555	-0.001	-0.001	0.000	0.000	0.000	0.000
187	C	187	ASN	0	-0.057	0.002	44.342	-0.001	-0.001	0.000	0.000	0.000	0.000
188	C	188	ALA	0	0.022	0.016	44.120	0.001	0.001	0.000	0.000	0.000	0.000
189	C	189	VAL	0	0.011	0.012	46.237	0.000	0.000	0.000	0.000	0.000	0.000
190	C	190	TYR	0	-0.062	-0.072	44.059	0.001	0.001	0.000	0.000	0.000	0.000
191	C	191	PHE	0	0.025	0.002	46.224	-0.001	-0.001	0.000	0.000	0.000	0.000
192	C	192	THR	0	0.004	0.007	47.644	0.001	0.001	0.000	0.000	0.000	0.000
193	C	193	PRO	0	-0.082	-0.019	48.437	-0.001	-0.001	0.000	0.000	0.000	0.000
194	C	194	LEU	0	0.033	-0.021	50.870	-0.001	-0.001	0.000	0.000	0.000	0.000
195	C	195	PHE	0	-0.023	-0.002	52.080	-0.001	-0.001	0.000	0.000	0.000	0.000
196	C	196	LYS	1	0.908	0.940	55.688	-0.014	-0.014	0.000	0.000	0.000	0.000
197	C	197	ALA	0	0.032	0.045	55.744	0.001	0.001	0.000	0.000	0.000	0.000
198	C	198	THR	0	-0.063	-0.048	57.708	-0.001	-0.001	0.000	0.000	0.000	0.000
199	C	199	THR	0	-0.039	-0.035	54.959	0.000	0.000	0.000	0.000	0.000	0.000
200	C	200	ASN	0	-0.013	-0.015	54.436	0.000	0.000	0.000	0.000	0.000	0.000
201	C	201	HIS	0	0.083	0.034	50.985	0.000	0.000	0.000	0.000	0.000	0.000
202	C	202	LYS	1	0.852	0.934	52.930	-0.014	-0.014	0.000	0.000	0.000	0.000
203	C	203	TYR	0	-0.030	-0.031	46.194	0.000	0.000	0.000	0.000	0.000	0.000
204	C	204	ASP	-1	-0.855	-0.895	51.012	0.022	0.022	0.000	0.000	0.000	0.000
205	C	205	THR	0	-0.066	-0.023	51.747	-0.001	-0.001	0.000	0.000	0.000	0.000
206	C	206	GLU	-1	-0.852	-0.961	54.675	0.017	0.017	0.000	0.000	0.000	0.000
207	C	207	ASP	-1	-0.825	-0.948	57.722	0.017	0.017	0.000	0.000	0.000	0.000
208	C	208	TYR	0	-0.056	-0.046	50.046	-0.001	-0.001	0.000	0.000	0.000	0.000
209	C	209	PHE	0	-0.078	-0.049	55.007	0.000	0.000	0.000	0.000	0.000	0.000
210	C	210	GLN	0	0.018	0.000	57.761	-0.001	-0.001	0.000	0.000	0.000	0.000
211	C	211	ILE	0	0.001	0.040	56.450	0.001	0.001	0.000	0.000	0.000	0.000
212	C	212	ASP	-1	-0.788	-0.897	58.652	0.013	0.013	0.000	0.000	0.000	0.000
213	C	213	PRO	0	-0.001	-0.014	60.545	-0.001	-0.001	0.000	0.000	0.000	0.000
214	C	214	GLN	0	-0.017	0.008	60.645	-0.001	-0.001	0.000	0.000	0.000	0.000
215	C	215	PHE	0	-0.054	-0.024	55.811	0.000	0.000	0.000	0.000	0.000	0.000
216	C	216	GLY	0	0.024	0.009	61.185	-0.001	-0.001	0.000	0.000	0.000	0.000
217	C	217	ASP	-1	-0.873	-0.946	62.269	0.009	0.009	0.000	0.000	0.000	0.000
218	C	218	LYS	1	0.974	0.984	59.772	-0.009	-0.009	0.000	0.000	0.000	0.000
219	C	219	ASP	-1	-0.894	-0.939	60.189	0.007	0.007	0.000	0.000	0.000	0.000
220	C	220	THR	0	0.016	0.007	61.452	0.000	0.000	0.000	0.000	0.000	0.000
221	C	221	LEU	0	0.068	0.034	54.405	0.000	0.000	0.000	0.000	0.000	0.000
222	C	222	LYS	1	0.893	0.939	57.606	-0.007	-0.007	0.000	0.000	0.000	0.000
223	C	223	LYS	1	0.905	0.955	58.607	-0.005	-0.005	0.000	0.000	0.000	0.000
224	C	224	LEU	0	-0.016	-0.006	54.935	-0.001	-0.001	0.000	0.000	0.000	0.000
225	C	225	VAL	0	0.005	-0.003	53.283	-0.001	-0.001	0.000	0.000	0.000	0.000
226	C	226	ASP	-1	-0.866	-0.932	55.359	0.005	0.005	0.000	0.000	0.000	0.000
227	C	227	LEU	0	-0.007	0.011	57.425	-0.001	-0.001	0.000	0.000	0.000	0.000
228	C	228	CYS	0	-0.022	-0.044	52.472	-0.001	-0.001	0.000	0.000	0.000	0.000
229	C	229	HIS	0	-0.025	-0.030	49.884	-0.002	-0.002	0.000	0.000	0.000	0.000
230	C	230	GLU	-1	-0.943	-0.951	53.606	0.000	0.000	0.000	0.000	0.000	0.000
231	C	231	ARG	1	0.680	0.814	54.086	-0.001	-0.001	0.000	0.000	0.000	0.000
232	C	232	GLY	0	-0.010	0.002	51.042	-0.001	-0.001	0.000	0.000	0.000	0.000
233	C	233	ILE	0	-0.095	-0.025	48.727	0.000	0.000	0.000	0.000	0.000	0.000
234	C	234	ARG	1	0.898	0.948	45.103	-0.005	-0.005	0.000	0.000	0.000	0.000
235	C	235	VAL	0	0.004	-0.019	48.020	0.000	0.000	0.000	0.000	0.000	0.000
236	C	236	LEU	0	-0.047	0.002	42.471	0.001	0.001	0.000	0.000	0.000	0.000
237	C	237	LEU	0	0.040	0.019	46.895	-0.001	-0.001	0.000	0.000	0.000	0.000
238	C	238	ASP	-1	-0.715	-0.846	45.907	0.022	0.022	0.000	0.000	0.000	0.000
239	C	239	ALA	0	-0.001	-0.006	45.290	0.000	0.000	0.000	0.000	0.000	0.000
240	C	240	VAL	0	0.000	0.036	45.601	0.001	0.001	0.000	0.000	0.000	0.000
241	C	241	PHE	0	-0.064	-0.028	45.220	0.000	0.000	0.000	0.000	0.000	0.000
242	C	242	ASN	0	0.051	0.021	43.893	0.003	0.003	0.000	0.000	0.000	0.000
243	C	243	HIS	0	0.053	0.036	45.161	0.002	0.002	0.000	0.000	0.000	0.000
244	C	244	SER	0	-0.003	-0.015	48.924	-0.001	-0.001	0.000	0.000	0.000	0.000
245	C	245	GLY	0	0.073	0.038	52.570	0.001	0.001	0.000	0.000	0.000	0.000
246	C	246	ARG	1	0.874	0.942	55.067	-0.022	-0.022	0.000	0.000	0.000	0.000
247	C	247	THR	0	-0.047	-0.013	57.529	0.000	0.000	0.000	0.000	0.000	0.000
248	C	248	PHE	0	0.079	0.034	55.554	0.000	0.000	0.000	0.000	0.000	0.000
249	C	249	PRO	0	0.003	0.001	58.432	0.001	0.001	0.000	0.000	0.000	0.000
250	C	250	PRO	0	-0.033	-0.012	57.313	0.000	0.000	0.000	0.000	0.000	0.000
251	C	251	PHE	0	0.024	0.025	56.220	0.001	0.001	0.000	0.000	0.000	0.000
252	C	252	VAL	0	0.023	0.007	58.594	0.000	0.000	0.000	0.000	0.000	0.000
253	C	253	ASP	-1	-0.883	-0.958	61.762	0.022	0.022	0.000	0.000	0.000	0.000
254	C	254	VAL	0	0.079	0.013	57.839	0.000	0.000	0.000	0.000	0.000	0.000
255	C	255	LEU	0	-0.038	-0.003	59.313	0.000	0.000	0.000	0.000	0.000	0.000
256	C	256	LYS	1	0.823	0.904	62.263	-0.018	-0.018	0.000	0.000	0.000	0.000
257	C	257	ASN	0	-0.044	-0.026	64.475	-0.001	-0.001	0.000	0.000	0.000	0.000
258	C	258	GLY	0	-0.024	0.013	62.679	0.000	0.000	0.000	0.000	0.000	0.000
259	C	259	GLU	-1	-0.945	-0.962	61.472	0.026	0.026	0.000	0.000	0.000	0.000
260	C	260	LYS	1	0.906	0.932	62.147	-0.020	-0.020	0.000	0.000	0.000	0.000
261	C	261	SER	0	0.030	0.041	61.326	-0.001	-0.001	0.000	0.000	0.000	0.000
262	C	262	LYS	1	0.917	0.965	61.641	-0.020	-0.020	0.000	0.000	0.000	0.000
263	C	263	TYR	0	-0.040	-0.021	58.218	0.000	0.000	0.000	0.000	0.000	0.000
264	C	264	LYS	1	0.970	0.998	56.059	-0.029	-0.029	0.000	0.000	0.000	0.000
265	C	265	ASP	-1	-0.896	-0.965	53.275	0.032	0.032	0.000	0.000	0.000	0.000
266	C	266	TRP	0	-0.007	0.000	52.559	0.001	0.001	0.000	0.000	0.000	0.000
267	C	267	PHE	0	-0.009	0.011	51.290	0.000	0.000	0.000	0.000	0.000	0.000
268	C	268	HIS	0	0.049	0.021	46.126	0.001	0.001	0.000	0.000	0.000	0.000
269	C	269	ILE	0	-0.023	-0.008	51.038	0.000	0.000	0.000	0.000	0.000	0.000
270	C	270	ARG	1	0.918	0.958	48.024	-0.037	-0.037	0.000	0.000	0.000	0.000
271	C	271	SER	0	-0.030	-0.015	53.282	0.000	0.000	0.000	0.000	0.000	0.000
272	C	272	LEU	0	-0.027	-0.008	56.832	-0.001	-0.001	0.000	0.000	0.000	0.000
273	C	273	PRO	0	-0.009	0.003	60.183	-0.001	-0.001	0.000	0.000	0.000	0.000
274	C	274	LEU	0	0.008	-0.010	57.743	0.001	0.001	0.000	0.000	0.000	0.000
275	C	275	GLU	-1	-0.952	-0.980	59.345	0.025	0.025	0.000	0.000	0.000	0.000
276	C	276	VAL	0	0.010	0.012	55.101	0.001	0.001	0.000	0.000	0.000	0.000
277	C	277	VAL	0	-0.041	-0.040	57.573	0.000	0.000	0.000	0.000	0.000	0.000
278	C	278	ASP	-1	-0.918	-0.949	56.563	0.028	0.028	0.000	0.000	0.000	0.000
279	C	279	GLY	0	-0.046	0.007	55.254	0.001	0.001	0.000	0.000	0.000	0.000
280	C	280	ILE	0	0.023	-0.013	49.707	0.001	0.001	0.000	0.000	0.000	0.000
281	C	281	PRO	0	0.003	-0.024	51.133	-0.001	-0.001	0.000	0.000	0.000	0.000
282	C	282	THR	0	-0.054	0.028	52.116	0.002	0.002	0.000	0.000	0.000	0.000
283	C	283	TYR	0	-0.012	-0.028	52.131	0.000	0.000	0.000	0.000	0.000	0.000
284	C	284	ASP	-1	-0.923	-0.963	46.258	0.040	0.040	0.000	0.000	0.000	0.000
285	C	285	THR	0	-0.025	0.004	48.408	-0.001	-0.001	0.000	0.000	0.000	0.000
286	C	286	PHE	0	0.037	0.009	43.224	0.001	0.001	0.000	0.000	0.000	0.000
287	C	287	ALA	0	0.009	0.049	44.725	0.002	0.002	0.000	0.000	0.000	0.000
288	C	288	PHE	0	-0.028	-0.060	44.862	0.002	0.002	0.000	0.000	0.000	0.000
289	C	289	GLU	-1	-0.845	-0.907	48.978	0.024	0.024	0.000	0.000	0.000	0.000
290	C	290	PRO	0	0.020	-0.015	51.607	0.000	0.000	0.000	0.000	0.000	0.000
291	C	291	LEU	0	-0.104	-0.060	54.174	0.000	0.000	0.000	0.000	0.000	0.000
292	C	292	MET	0	0.051	0.022	48.541	-0.001	-0.001	0.000	0.000	0.000	0.000
293	C	293	PRO	0	-0.044	-0.007	50.384	0.002	0.002	0.000	0.000	0.000	0.000
294	C	294	LYS	1	0.952	0.985	43.004	-0.040	-0.040	0.000	0.000	0.000	0.000
295	C	295	LEU	0	-0.039	-0.035	48.535	0.000	0.000	0.000	0.000	0.000	0.000
296	C	296	ASN	0	0.037	0.025	47.391	0.003	0.003	0.000	0.000	0.000	0.000
297	C	297	THR	0	-0.057	-0.049	43.760	0.000	0.000	0.000	0.000	0.000	0.000
298	C	298	GLU	-1	-0.964	-0.974	44.853	0.042	0.042	0.000	0.000	0.000	0.000
299	C	299	HIS	0	-0.035	-0.016	46.406	-0.001	-0.001	0.000	0.000	0.000	0.000
300	C	300	PRO	0	-0.025	-0.018	50.190	0.000	0.000	0.000	0.000	0.000	0.000
301	C	301	ASP	-1	-0.887	-0.952	51.575	0.024	0.024	0.000	0.000	0.000	0.000
302	C	302	VAL	0	-0.012	-0.009	49.785	-0.001	-0.001	0.000	0.000	0.000	0.000
303	C	303	LYS	1	0.880	0.948	46.122	-0.035	-0.035	0.000	0.000	0.000	0.000
304	C	304	GLU	-1	-0.779	-0.898	49.751	0.021	0.021	0.000	0.000	0.000	0.000
305	C	305	TYR	0	-0.006	0.002	52.341	-0.001	-0.001	0.000	0.000	0.000	0.000
306	C	306	LEU	0	0.044	0.017	48.001	-0.001	-0.001	0.000	0.000	0.000	0.000
307	C	307	LEU	0	-0.059	-0.005	46.697	-0.001	-0.001	0.000	0.000	0.000	0.000
308	C	308	LYS	1	0.880	0.909	49.765	-0.020	-0.020	0.000	0.000	0.000	0.000
309	C	309	ALA	0	-0.027	0.013	51.507	-0.001	-0.001	0.000	0.000	0.000	0.000
310	C	310	ALA	0	0.017	-0.008	47.549	-0.001	-0.001	0.000	0.000	0.000	0.000
311	C	311	GLU	-1	-0.887	-0.961	49.596	0.019	0.019	0.000	0.000	0.000	0.000
312	C	312	TYR	0	-0.040	-0.010	50.853	-0.001	-0.001	0.000	0.000	0.000	0.000
313	C	313	TRP	0	0.033	0.033	52.095	-0.002	-0.002	0.000	0.000	0.000	0.000
314	C	314	ILE	0	-0.026	0.004	47.335	-0.001	-0.001	0.000	0.000	0.000	0.000
315	C	315	ARG	1	0.863	0.942	51.376	-0.015	-0.015	0.000	0.000	0.000	0.000
316	C	316	GLU	-1	-0.997	-1.011	54.120	0.011	0.011	0.000	0.000	0.000	0.000
317	C	317	THR	0	-0.064	-0.042	53.997	-0.001	-0.001	0.000	0.000	0.000	0.000
318	C	318	GLY	0	0.015	0.012	52.993	-0.001	-0.001	0.000	0.000	0.000	0.000
319	C	319	ILE	0	-0.078	-0.029	49.319	-0.001	-0.001	0.000	0.000	0.000	0.000
320	C	320	ASP	-1	-0.804	-0.887	46.239	0.008	0.008	0.000	0.000	0.000	0.000
321	C	321	GLY	0	-0.003	-0.026	44.350	0.001	0.001	0.000	0.000	0.000	0.000
322	C	322	TRP	0	-0.064	-0.022	43.762	0.000	0.000	0.000	0.000	0.000	0.000
323	C	323	ARG	1	0.882	0.956	40.588	-0.022	-0.022	0.000	0.000	0.000	0.000
324	C	324	LEU	0	-0.062	-0.032	39.126	0.000	0.000	0.000	0.000	0.000	0.000
325	C	325	ASP	-1	-0.876	-0.938	41.035	0.030	0.030	0.000	0.000	0.000	0.000
326	C	326	VAL	0	0.041	0.023	39.964	0.000	0.000	0.000	0.000	0.000	0.000
327	C	327	ALA	0	0.034	0.012	37.716	0.000	0.000	0.000	0.000	0.000	0.000
328	C	328	ASN	0	-0.061	-0.015	35.010	0.000	0.000	0.000	0.000	0.000	0.000
329	C	329	GLU	-1	-0.935	-0.974	36.605	0.045	0.045	0.000	0.000	0.000	0.000
330	C	330	VAL	0	-0.040	-0.019	39.413	-0.001	-0.001	0.000	0.000	0.000	0.000
331	C	331	SER	0	-0.013	-0.014	39.276	0.001	0.001	0.000	0.000	0.000	0.000
332	C	332	HIS	0	0.056	0.013	34.060	-0.001	-0.001	0.000	0.000	0.000	0.000
333	C	333	GLN	0	-0.029	-0.015	37.658	0.002	0.002	0.000	0.000	0.000	0.000
334	C	334	PHE	0	0.049	0.030	40.075	-0.001	-0.001	0.000	0.000	0.000	0.000
335	C	335	TRP	0	0.047	0.025	37.919	-0.003	-0.003	0.000	0.000	0.000	0.000
336	C	336	ARG	1	0.808	0.921	33.576	-0.056	-0.056	0.000	0.000	0.000	0.000
337	C	337	GLU	-1	-0.948	-0.991	39.483	0.032	0.032	0.000	0.000	0.000	0.000
338	C	338	PHE	0	0.025	0.012	41.368	-0.002	-0.002	0.000	0.000	0.000	0.000
339	C	339	ARG	1	0.859	0.945	34.448	-0.035	-0.035	0.000	0.000	0.000	0.000
340	C	340	ARG	1	0.953	0.961	41.672	-0.029	-0.029	0.000	0.000	0.000	0.000
341	C	341	VAL	0	0.039	0.030	43.222	-0.002	-0.002	0.000	0.000	0.000	0.000
342	C	342	VAL	0	-0.012	-0.007	43.239	-0.002	-0.002	0.000	0.000	0.000	0.000
343	C	343	LYS	1	0.810	0.930	39.762	-0.022	-0.022	0.000	0.000	0.000	0.000
344	C	344	GLN	0	-0.085	-0.039	44.831	0.000	0.000	0.000	0.000	0.000	0.000
345	C	345	ALA	0	-0.016	-0.001	47.780	-0.001	-0.001	0.000	0.000	0.000	0.000
346	C	346	ASN	0	0.031	0.000	46.947	-0.001	-0.001	0.000	0.000	0.000	0.000
347	C	347	PRO	0	0.056	0.035	43.856	0.001	0.001	0.000	0.000	0.000	0.000
348	C	348	ASP	-1	-0.953	-0.989	42.791	0.010	0.010	0.000	0.000	0.000	0.000
349	C	349	ALA	0	0.006	0.024	43.341	0.000	0.000	0.000	0.000	0.000	0.000
350	C	350	TYR	0	-0.023	-0.025	36.428	0.001	0.001	0.000	0.000	0.000	0.000
351	C	351	ILE	0	-0.003	-0.006	38.591	0.000	0.000	0.000	0.000	0.000	0.000
352	C	352	LEU	0	-0.018	0.027	37.129	0.002	0.002	0.000	0.000	0.000	0.000
353	C	353	GLY	0	0.075	0.017	37.167	0.000	0.000	0.000	0.000	0.000	0.000
354	C	354	GLU	-1	-0.802	-0.927	37.043	0.028	0.028	0.000	0.000	0.000	0.000
355	C	355	VAL	0	-0.034	-0.021	31.817	0.003	0.003	0.000	0.000	0.000	0.000
356	C	356	TRP	0	-0.062	-0.055	33.304	0.000	0.000	0.000	0.000	0.000	0.000
357	C	357	HIS	0	-0.038	-0.015	29.358	-0.001	-0.001	0.000	0.000	0.000	0.000
358	C	358	GLU	-1	-0.861	-0.955	23.765	0.074	0.074	0.000	0.000	0.000	0.000
359	C	359	SER	0	0.033	-0.011	27.181	0.002	0.002	0.000	0.000	0.000	0.000
360	C	360	SER	0	0.008	-0.001	24.583	0.000	0.000	0.000	0.000	0.000	0.000
361	C	361	ILE	0	-0.050	-0.019	26.442	0.002	0.002	0.000	0.000	0.000	0.000
362	C	362	TRP	0	0.060	0.029	28.818	0.000	0.000	0.000	0.000	0.000	0.000
363	C	363	LEU	0	-0.045	-0.028	28.539	-0.005	-0.005	0.000	0.000	0.000	0.000
364	C	364	GLU	-1	-0.742	-0.876	26.369	0.086	0.086	0.000	0.000	0.000	0.000
365	C	365	GLY	0	-0.089	-0.048	29.688	-0.001	-0.001	0.000	0.000	0.000	0.000
366	C	366	ASP	-1	-0.798	-0.925	32.354	0.054	0.054	0.000	0.000	0.000	0.000
367	C	367	GLN	0	-0.070	-0.046	33.516	-0.003	-0.003	0.000	0.000	0.000	0.000
368	C	368	PHE	0	0.027	0.007	34.192	-0.003	-0.003	0.000	0.000	0.000	0.000
369	C	369	ASP	-1	-0.806	-0.887	34.815	0.025	0.025	0.000	0.000	0.000	0.000
370	C	370	ALA	0	-0.010	-0.014	33.267	-0.001	-0.001	0.000	0.000	0.000	0.000
371	C	371	VAL	0	0.026	-0.003	31.570	0.002	0.002	0.000	0.000	0.000	0.000
372	C	372	MET	0	0.003	0.047	34.624	-0.004	-0.004	0.000	0.000	0.000	0.000
373	C	373	ASN	0	-0.036	0.019	28.745	0.003	0.003	0.000	0.000	0.000	0.000
374	C	374	TYR	0	0.107	0.037	31.831	-0.003	-0.003	0.000	0.000	0.000	0.000
375	C	375	PRO	0	0.041	0.025	27.176	-0.002	-0.002	0.000	0.000	0.000	0.000
376	C	376	PHE	0	0.029	-0.016	28.632	-0.003	-0.003	0.000	0.000	0.000	0.000
377	C	377	THR	0	-0.031	0.005	29.557	-0.002	-0.002	0.000	0.000	0.000	0.000
378	C	378	ASN	0	-0.065	-0.037	28.902	-0.002	-0.002	0.000	0.000	0.000	0.000
379	C	379	ALA	0	-0.019	-0.003	27.821	0.000	0.000	0.000	0.000	0.000	0.000
380	C	380	VAL	0	0.035	-0.009	29.459	-0.003	-0.003	0.000	0.000	0.000	0.000
381	C	381	LEU	0	-0.031	0.013	32.177	-0.002	-0.002	0.000	0.000	0.000	0.000
382	C	382	ASP	-1	-0.849	-0.918	30.450	0.021	0.021	0.000	0.000	0.000	0.000
383	C	383	PHE	0	-0.089	-0.054	30.067	-0.003	-0.003	0.000	0.000	0.000	0.000
384	C	384	PHE	0	-0.036	-0.052	31.831	-0.001	-0.001	0.000	0.000	0.000	0.000
385	C	385	ILE	0	-0.019	-0.018	35.262	-0.001	-0.001	0.000	0.000	0.000	0.000
386	C	386	HIS	0	0.014	0.009	34.791	-0.001	-0.001	0.000	0.000	0.000	0.000
387	C	387	GLN	0	-0.095	-0.031	33.827	0.001	0.001	0.000	0.000	0.000	0.000
388	C	388	ILE	0	-0.030	-0.013	31.221	0.001	0.001	0.000	0.000	0.000	0.000
389	C	389	ALA	0	-0.038	-0.005	27.599	0.001	0.001	0.000	0.000	0.000	0.000
390	C	390	ASP	-1	-0.840	-0.928	25.464	-0.022	-0.022	0.000	0.000	0.000	0.000
391	C	391	ALA	0	0.020	0.028	26.640	0.001	0.001	0.000	0.000	0.000	0.000
392	C	392	GLU	-1	-0.794	-0.908	21.215	-0.043	-0.043	0.000	0.000	0.000	0.000
393	C	393	LYS	1	0.979	1.025	22.157	-0.018	-0.018	0.000	0.000	0.000	0.000
394	C	394	PHE	0	0.043	0.048	23.604	0.005	0.005	0.000	0.000	0.000	0.000
395	C	395	SER	0	-0.042	-0.062	21.952	-0.001	-0.001	0.000	0.000	0.000	0.000
396	C	396	PHE	0	-0.037	-0.025	17.660	0.002	0.002	0.000	0.000	0.000	0.000
397	C	397	MET	0	-0.071	-0.045	20.572	0.010	0.010	0.000	0.000	0.000	0.000
398	C	398	LEU	0	-0.059	-0.015	23.229	0.008	0.008	0.000	0.000	0.000	0.000
399	C	399	GLY	0	0.091	0.017	19.139	-0.008	-0.008	0.000	0.000	0.000	0.000
400	C	400	LYS	1	0.889	0.948	17.959	-0.062	-0.062	0.000	0.000	0.000	0.000
401	C	401	GLN	0	-0.027	-0.029	19.590	0.014	0.014	0.000	0.000	0.000	0.000
402	C	402	LEU	0	-0.027	0.035	20.534	0.002	0.002	0.000	0.000	0.000	0.000
403	C	403	ALA	0	0.022	0.002	17.762	0.003	0.003	0.000	0.000	0.000	0.000
404	C	404	GLY	0	0.020	0.022	19.751	0.013	0.013	0.000	0.000	0.000	0.000
405	C	405	TYR	0	0.029	0.037	21.168	0.010	0.010	0.000	0.000	0.000	0.000
406	C	406	PRO	0	0.056	0.017	22.789	-0.002	-0.002	0.000	0.000	0.000	0.000
407	C	407	ARG	1	0.860	0.946	22.380	0.000	0.000	0.000	0.000	0.000	0.000
408	C	408	GLN	0	0.082	0.046	25.283	-0.005	-0.005	0.000	0.000	0.000	0.000
409	C	409	ALA	0	0.073	0.024	28.066	-0.003	-0.003	0.000	0.000	0.000	0.000
410	C	410	SER	0	-0.002	-0.024	25.465	-0.002	-0.002	0.000	0.000	0.000	0.000
411	C	411	GLU	-1	-0.896	-0.961	27.860	-0.005	-0.005	0.000	0.000	0.000	0.000
412	C	412	VAL	0	-0.083	-0.022	30.288	-0.003	-0.003	0.000	0.000	0.000	0.000
413	C	413	MET	0	-0.038	0.004	29.008	0.004	0.004	0.000	0.000	0.000	0.000
414	C	414	PHE	0	0.017	0.027	32.389	-0.004	-0.004	0.000	0.000	0.000	0.000
415	C	415	ASN	0	0.016	-0.014	30.355	0.006	0.006	0.000	0.000	0.000	0.000
416	C	416	LEU	0	0.018	0.020	34.328	-0.003	-0.003	0.000	0.000	0.000	0.000
417	C	417	LEU	0	-0.056	-0.052	34.626	-0.001	-0.001	0.000	0.000	0.000	0.000
418	C	418	ASP	-1	-0.849	-0.927	37.653	0.009	0.009	0.000	0.000	0.000	0.000
419	C	419	SER	0	-0.008	-0.010	40.812	0.000	0.000	0.000	0.000	0.000	0.000
420	C	420	HIS	1	0.910	0.965	43.165	-0.019	-0.019	0.000	0.000	0.000	0.000
421	C	421	ASP	-1	-0.837	-0.921	41.956	0.024	0.024	0.000	0.000	0.000	0.000
422	C	422	THR	0	-0.054	-0.021	39.079	0.002	0.002	0.000	0.000	0.000	0.000
423	C	423	ALA	0	0.052	0.020	42.277	-0.001	-0.001	0.000	0.000	0.000	0.000
424	C	424	ARG	1	0.721	0.846	42.989	-0.008	-0.008	0.000	0.000	0.000	0.000
425	C	425	LEU	0	0.007	0.008	38.712	0.000	0.000	0.000	0.000	0.000	0.000
426	C	426	LEU	0	-0.012	-0.030	42.215	-0.001	-0.001	0.000	0.000	0.000	0.000
427	C	427	THR	0	0.057	0.022	45.029	-0.001	-0.001	0.000	0.000	0.000	0.000
428	C	428	GLN	0	-0.021	0.010	38.731	0.001	0.001	0.000	0.000	0.000	0.000
429	C	429	ALA	0	-0.102	-0.036	41.594	0.000	0.000	0.000	0.000	0.000	0.000
430	C	430	ASP	-1	-0.834	-0.925	42.623	0.008	0.008	0.000	0.000	0.000	0.000
431	C	431	GLY	0	-0.055	-0.024	46.384	-0.001	-0.001	0.000	0.000	0.000	0.000
432	C	432	ASP	-1	-0.819	-0.894	43.979	-0.007	-0.007	0.000	0.000	0.000	0.000
433	C	433	LYS	1	0.915	0.927	44.344	0.001	0.001	0.000	0.000	0.000	0.000
434	C	434	ARG	1	0.762	0.898	43.268	0.007	0.007	0.000	0.000	0.000	0.000
435	C	435	LYS	1	0.964	0.982	39.239	-0.001	-0.001	0.000	0.000	0.000	0.000
436	C	436	MET	0	-0.015	0.022	39.741	0.000	0.000	0.000	0.000	0.000	0.000
437	C	437	LYS	1	0.942	0.966	40.407	0.008	0.008	0.000	0.000	0.000	0.000
438	C	438	LEU	0	-0.027	0.021	37.122	-0.001	-0.001	0.000	0.000	0.000	0.000
439	C	439	ALA	0	0.032	0.029	36.105	-0.001	-0.001	0.000	0.000	0.000	0.000
440	C	440	VAL	0	0.006	-0.020	36.738	0.000	0.000	0.000	0.000	0.000	0.000
441	C	441	LEU	0	0.051	0.031	36.562	0.000	0.000	0.000	0.000	0.000	0.000
442	C	442	PHE	0	0.050	0.074	28.351	-0.001	-0.001	0.000	0.000	0.000	0.000
443	C	443	GLN	0	0.063	0.030	33.787	0.002	0.002	0.000	0.000	0.000	0.000
444	C	444	PHE	0	-0.057	-0.037	35.362	0.001	0.001	0.000	0.000	0.000	0.000
445	C	445	THR	0	-0.098	-0.098	32.854	-0.003	-0.003	0.000	0.000	0.000	0.000
446	C	446	TYR	0	-0.027	0.018	25.171	-0.002	-0.002	0.000	0.000	0.000	0.000
447	C	447	PHE	0	-0.029	-0.022	25.494	0.000	0.000	0.000	0.000	0.000	0.000
448	C	448	GLY	0	0.028	0.023	31.400	0.003	0.003	0.000	0.000	0.000	0.000
449	C	449	THR	0	-0.057	-0.044	33.012	-0.002	-0.002	0.000	0.000	0.000	0.000
450	C	450	PRO	0	-0.024	0.012	36.326	0.002	0.002	0.000	0.000	0.000	0.000
451	C	451	CYS	0	-0.035	-0.035	37.956	0.001	0.001	0.000	0.000	0.000	0.000
452	C	452	ILE	0	0.008	0.000	40.791	0.000	0.000	0.000	0.000	0.000	0.000
453	C	453	TYR	0	-0.002	0.022	43.792	0.002	0.002	0.000	0.000	0.000	0.000
454	C	454	TYR	0	0.049	-0.019	45.518	-0.001	-0.001	0.000	0.000	0.000	0.000
455	C	455	GLY	0	0.030	-0.013	49.106	0.001	0.001	0.000	0.000	0.000	0.000
456	C	456	ASP	-1	-0.718	-0.874	45.687	0.006	0.006	0.000	0.000	0.000	0.000
457	C	457	GLU	-1	-0.838	-0.895	48.099	0.001	0.001	0.000	0.000	0.000	0.000
458	C	458	VAL	0	0.019	0.022	49.137	-0.001	-0.001	0.000	0.000	0.000	0.000
459	C	459	GLY	0	-0.003	0.000	49.869	0.000	0.000	0.000	0.000	0.000	0.000
460	C	460	LEU	0	-0.128	-0.043	49.720	0.000	0.000	0.000	0.000	0.000	0.000
461	C	461	ASP	-1	-0.915	-0.966	49.123	0.008	0.008	0.000	0.000	0.000	0.000
462	C	462	GLY	0	-0.015	-0.007	48.485	0.000	0.000	0.000	0.000	0.000	0.000
463	C	463	GLY	0	0.047	-0.007	47.519	0.000	0.000	0.000	0.000	0.000	0.000
464	C	464	HIS	0	0.043	0.045	43.906	-0.001	-0.001	0.000	0.000	0.000	0.000
465	C	465	ASP	-1	-0.798	-0.924	47.140	0.020	0.020	0.000	0.000	0.000	0.000
466	C	466	PRO	0	-0.040	-0.031	48.720	-0.001	-0.001	0.000	0.000	0.000	0.000
467	C	467	GLY	0	0.084	0.048	50.880	-0.001	-0.001	0.000	0.000	0.000	0.000
468	C	468	CYS	0	-0.078	-0.012	46.789	-0.001	-0.001	0.000	0.000	0.000	0.000
469	C	469	ARG	1	0.860	0.941	47.036	-0.020	-0.020	0.000	0.000	0.000	0.000
470	C	470	LYS	1	0.889	0.936	51.133	-0.007	-0.007	0.000	0.000	0.000	0.000
471	C	471	CYS	0	-0.074	-0.024	53.696	0.000	0.000	0.000	0.000	0.000	0.000
472	C	472	MET	0	0.037	0.055	53.158	0.000	0.000	0.000	0.000	0.000	0.000
473	C	473	GLU	-1	-0.935	-1.006	56.155	0.003	0.003	0.000	0.000	0.000	0.000
474	C	474	TRP	0	-0.055	-0.061	56.236	-0.001	-0.001	0.000	0.000	0.000	0.000
475	C	475	ASP	-1	-0.885	-0.933	60.409	0.001	0.001	0.000	0.000	0.000	0.000
476	C	476	GLU	-1	-0.977	-1.006	60.658	-0.001	-0.001	0.000	0.000	0.000	0.000
477	C	477	THR	0	-0.068	-0.013	60.604	-0.001	-0.001	0.000	0.000	0.000	0.000
478	C	478	LYS	1	0.926	0.989	54.955	-0.003	-0.003	0.000	0.000	0.000	0.000
479	C	479	HIS	0	0.011	-0.021	56.220	0.000	0.000	0.000	0.000	0.000	0.000
480	C	480	ASP	-1	-0.836	-0.900	51.990	-0.004	-0.004	0.000	0.000	0.000	0.000
481	C	481	LYS	1	0.982	0.989	52.456	0.005	0.005	0.000	0.000	0.000	0.000
482	C	482	ASP	-1	-0.934	-0.976	50.442	-0.010	-0.010	0.000	0.000	0.000	0.000
483	C	483	LEU	0	-0.054	0.002	46.575	-0.001	-0.001	0.000	0.000	0.000	0.000
484	C	484	PHE	0	0.026	0.012	48.357	0.000	0.000	0.000	0.000	0.000	0.000
485	C	485	ALA	0	-0.073	-0.048	49.497	0.000	0.000	0.000	0.000	0.000	0.000
486	C	486	PHE	0	0.020	0.054	41.444	-0.001	-0.001	0.000	0.000	0.000	0.000
487	C	487	TYR	0	0.048	0.029	44.134	-0.001	-0.001	0.000	0.000	0.000	0.000
488	C	488	GLN	0	0.056	0.011	45.601	-0.001	-0.001	0.000	0.000	0.000	0.000
489	C	489	THR	0	-0.028	-0.030	45.251	-0.001	-0.001	0.000	0.000	0.000	0.000
490	C	490	VAL	0	0.043	0.011	40.781	-0.001	-0.001	0.000	0.000	0.000	0.000
491	C	491	ILE	0	-0.055	0.004	42.034	-0.001	-0.001	0.000	0.000	0.000	0.000
492	C	492	ARG	1	0.938	0.951	43.260	0.008	0.008	0.000	0.000	0.000	0.000
493	C	493	LEU	0	-0.002	0.022	39.582	-0.001	-0.001	0.000	0.000	0.000	0.000
494	C	494	ARG	1	0.803	0.915	34.327	0.008	0.008	0.000	0.000	0.000	0.000
495	C	495	GLN	0	-0.067	-0.043	39.810	-0.001	-0.001	0.000	0.000	0.000	0.000
496	C	496	ALA	0	-0.091	-0.021	42.029	-0.001	-0.001	0.000	0.000	0.000	0.000
497	C	497	HIS	1	0.803	0.892	37.670	0.025	0.025	0.000	0.000	0.000	0.000
498	C	498	ALA	0	0.086	0.036	36.063	0.003	0.003	0.000	0.000	0.000	0.000
499	C	499	ALA	0	0.092	0.068	32.473	0.001	0.001	0.000	0.000	0.000	0.000
500	C	500	LEU	0	-0.001	-0.010	32.324	0.000	0.000	0.000	0.000	0.000	0.000
501	C	501	ARG	1	0.808	0.920	34.063	0.015	0.015	0.000	0.000	0.000	0.000
502	C	502	THR	0	-0.012	-0.038	31.544	0.004	0.004	0.000	0.000	0.000	0.000
503	C	503	GLY	0	0.069	0.043	30.456	0.000	0.000	0.000	0.000	0.000	0.000
504	C	504	THR	0	-0.068	-0.026	25.341	0.002	0.002	0.000	0.000	0.000	0.000
505	C	505	PHE	0	0.039	-0.018	24.518	0.005	0.005	0.000	0.000	0.000	0.000
506	C	506	LYS	1	0.909	0.982	21.566	0.110	0.110	0.000	0.000	0.000	0.000
507	C	507	PHE	0	0.052	-0.012	22.876	0.010	0.010	0.000	0.000	0.000	0.000
508	C	508	LEU	0	-0.089	-0.036	23.634	-0.014	-0.014	0.000	0.000	0.000	0.000
509	C	509	THR	0	-0.004	-0.004	25.642	-0.001	-0.001	0.000	0.000	0.000	0.000
510	C	510	ALA	0	0.018	-0.015	22.992	0.006	0.006	0.000	0.000	0.000	0.000
511	C	511	GLU	-1	-0.884	-0.928	23.358	-0.076	-0.076	0.000	0.000	0.000	0.000
512	C	512	LYS	1	0.909	0.934	18.875	0.049	0.049	0.000	0.000	0.000	0.000
513	C	513	ASN	0	-0.013	0.018	24.244	0.009	0.009	0.000	0.000	0.000	0.000
514	C	514	SER	0	-0.017	-0.003	27.551	0.000	0.000	0.000	0.000	0.000	0.000
515	C	515	ARG	1	0.914	0.940	29.553	0.017	0.017	0.000	0.000	0.000	0.000
516	C	516	GLN	0	-0.022	-0.023	30.965	-0.001	-0.001	0.000	0.000	0.000	0.000
517	C	517	ILE	0	-0.003	0.010	27.136	-0.005	-0.005	0.000	0.000	0.000	0.000
518	C	518	ALA	0	0.045	0.025	28.772	0.003	0.003	0.000	0.000	0.000	0.000
519	C	519	TYR	0	0.011	0.001	27.340	-0.006	-0.006	0.000	0.000	0.000	0.000
520	C	520	LEU	0	-0.087	-0.031	27.050	0.001	0.001	0.000	0.000	0.000	0.000
521	C	521	ARG	1	0.807	0.908	27.657	0.026	0.026	0.000	0.000	0.000	0.000
522	C	522	GLU	-1	-0.885	-0.924	28.169	-0.070	-0.070	0.000	0.000	0.000	0.000
523	C	523	ASP	-1	-0.804	-0.902	30.304	-0.029	-0.029	0.000	0.000	0.000	0.000
524	C	524	ASP	-1	-1.013	-1.000	32.553	-0.052	-0.052	0.000	0.000	0.000	0.000
525	C	525	GLN	0	0.000	0.007	33.712	0.000	0.000	0.000	0.000	0.000	0.000
526	C	526	ASP	-1	-0.850	-0.920	35.963	-0.033	-0.033	0.000	0.000	0.000	0.000
527	C	527	THR	0	0.041	-0.034	31.019	0.001	0.001	0.000	0.000	0.000	0.000
528	C	528	ILE	0	-0.090	-0.018	32.545	0.000	0.000	0.000	0.000	0.000	0.000
529	C	529	LEU	0	-0.048	-0.040	31.763	-0.004	-0.004	0.000	0.000	0.000	0.000
530	C	530	VAL	0	0.009	0.010	32.354	0.003	0.003	0.000	0.000	0.000	0.000
531	C	531	VAL	0	-0.004	-0.024	32.291	-0.005	-0.005	0.000	0.000	0.000	0.000
532	C	532	MET	0	-0.038	0.007	32.281	0.005	0.005	0.000	0.000	0.000	0.000
533	C	533	ASN	0	-0.065	-0.014	33.970	-0.003	-0.003	0.000	0.000	0.000	0.000
534	C	534	ASN	0	0.058	0.025	33.363	0.003	0.003	0.000	0.000	0.000	0.000
535	C	535	ASP	-1	-0.857	-0.888	35.892	-0.024	-0.024	0.000	0.000	0.000	0.000
536	C	536	LYS	1	0.879	0.938	37.697	0.007	0.007	0.000	0.000	0.000	0.000
537	C	537	ALA	0	0.015	-0.012	40.462	0.001	0.001	0.000	0.000	0.000	0.000
538	C	538	GLY	0	0.066	0.044	40.326	-0.001	-0.001	0.000	0.000	0.000	0.000
539	C	539	HIS	0	-0.031	-0.028	33.971	-0.003	-0.003	0.000	0.000	0.000	0.000
540	C	540	THR	0	-0.074	-0.032	37.460	0.000	0.000	0.000	0.000	0.000	0.000
541	C	541	LEU	0	0.008	0.011	32.567	-0.002	-0.002	0.000	0.000	0.000	0.000
542	C	542	THR	0	-0.011	-0.023	32.003	0.002	0.002	0.000	0.000	0.000	0.000
543	C	543	LEU	0	0.021	0.020	28.865	-0.006	-0.006	0.000	0.000	0.000	0.000
544	C	544	PRO	0	-0.013	0.002	26.264	0.005	0.005	0.000	0.000	0.000	0.000
545	C	545	VAL	0	0.037	0.016	28.691	0.001	0.001	0.000	0.000	0.000	0.000
546	C	546	ARG	1	0.916	0.947	22.981	0.103	0.103	0.000	0.000	0.000	0.000
547	C	547	HIS	0	0.005	-0.023	29.786	0.008	0.008	0.000	0.000	0.000	0.000
548	C	548	ALA	0	-0.046	-0.003	31.050	0.003	0.003	0.000	0.000	0.000	0.000
549	C	549	GLN	0	0.002	0.017	31.522	-0.001	-0.001	0.000	0.000	0.000	0.000
550	C	550	TRP	0	-0.006	0.022	35.310	0.000	0.000	0.000	0.000	0.000	0.000
551	C	551	THR	0	-0.111	-0.067	38.463	0.001	0.001	0.000	0.000	0.000	0.000
552	C	552	HIS	0	-0.023	-0.018	33.793	-0.006	-0.006	0.000	0.000	0.000	0.000
553	C	553	LEU	0	0.050	0.036	38.952	0.001	0.001	0.000	0.000	0.000	0.000
554	C	554	TRP	0	-0.045	-0.044	41.279	-0.001	-0.001	0.000	0.000	0.000	0.000
555	C	555	GLN	0	0.061	0.021	39.723	0.001	0.001	0.000	0.000	0.000	0.000
556	C	556	ASP	-1	-0.898	-0.930	42.858	-0.020	-0.020	0.000	0.000	0.000	0.000
557	C	557	ASP	-1	-0.946	-0.980	45.427	-0.021	-0.021	0.000	0.000	0.000	0.000
558	C	558	VAL	0	-0.081	-0.051	46.079	0.000	0.000	0.000	0.000	0.000	0.000
559	C	559	LEU	0	-0.014	0.018	44.609	-0.001	-0.001	0.000	0.000	0.000	0.000
560	C	560	THR	0	-0.064	-0.046	43.121	-0.001	-0.001	0.000	0.000	0.000	0.000
561	C	561	ALA	0	-0.044	-0.011	39.698	0.000	0.000	0.000	0.000	0.000	0.000
562	C	562	ALA	0	0.042	0.002	40.251	-0.001	-0.001	0.000	0.000	0.000	0.000
563	C	563	HIS	0	0.023	-0.010	34.445	0.001	0.001	0.000	0.000	0.000	0.000
564	C	564	GLY	0	-0.005	0.005	36.340	-0.002	-0.002	0.000	0.000	0.000	0.000
565	C	565	GLN	0	-0.036	-0.007	35.311	0.002	0.002	0.000	0.000	0.000	0.000
566	C	566	LEU	0	-0.004	0.008	30.609	0.000	0.000	0.000	0.000	0.000	0.000
567	C	567	THR	0	-0.082	-0.074	30.211	-0.006	-0.006	0.000	0.000	0.000	0.000
568	C	568	VAL	0	0.079	0.074	32.693	0.004	0.004	0.000	0.000	0.000	0.000
569	C	569	LYS	1	0.944	0.976	34.598	0.047	0.047	0.000	0.000	0.000	0.000
570	C	570	LEU	0	0.040	0.018	35.355	0.002	0.002	0.000	0.000	0.000	0.000
571	C	571	PRO	0	-0.003	-0.008	37.470	0.000	0.000	0.000	0.000	0.000	0.000
572	C	572	ALA	0	0.057	0.023	38.081	0.002	0.002	0.000	0.000	0.000	0.000
573	C	573	TYR	0	0.026	-0.011	40.196	0.001	0.001	0.000	0.000	0.000	0.000
574	C	574	GLY	0	-0.078	-0.053	41.320	0.001	0.001	0.000	0.000	0.000	0.000
575	C	575	PHE	0	0.054	-0.015	39.570	0.001	0.001	0.000	0.000	0.000	0.000
576	C	576	ALA	0	0.008	-0.005	38.152	0.001	0.001	0.000	0.000	0.000	0.000
577	C	577	VAL	0	0.020	0.041	38.439	-0.002	-0.002	0.000	0.000	0.000	0.000
578	C	578	LEU	0	-0.076	-0.038	39.551	0.000	0.000	0.000	0.000	0.000	0.000
579	C	579	LYN	0	0.042	0.059	36.853	-0.003	-0.003	0.000	0.000	0.000	0.000
580	C	580	ALA	0	0.002	-0.032	36.993	0.003	0.003	0.000	0.000	0.000	0.000
581	C	581	SER	0	0.004	0.014	36.368	-0.002	-0.002	0.000	0.000	0.000	0.000
582	C	582	SER	0	-0.044	-0.088	34.897	-0.003	-0.003	0.000	0.000	0.000	0.000
583	C	583	ASP	-2	-1.641	-1.807	36.914	-0.092	-0.092	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(C:1:MET )