FMO DATABASE

FMODB ID: 8J1NY

Calculation Name: 3O4X-E-Xray313

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 3O4X

Chain ID: E

ChEMBL ID:

UniProt ID: O08808

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	437
LigandCharge
Software	ABINIT-MP - Open Ver.1 Rev. 15 / 20190524

Total energy (hartree)

FMO2-HF: Electronic energy	-5976275.339922
FMO2-HF: Nuclear repulsion	5797830.145957
FMO2-HF: Total energy	-178445.193965
FMO2-MP2: Total energy	-178958.275774

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(E:744:ACE )

Summations of interaction energy for fragment #1(E:744:ACE )

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.
2.7	3.488	-0.005	-0.368	-0.414	0

Interaction energy analysis for fragmet #1(E:744:ACE )

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.032 / q_NPA : 0.008

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].
3	E	746	LEU	0	-0.011	0.000	3.866	0.958	1.746	-0.005	-0.368	-0.414
4	E	747	PRO	0	0.015	0.018	6.093	0.221	0.221	0.000	0.000	0.000
5	E	748	PHE	0	0.057	0.023	7.751	-0.027	-0.027	0.000	0.000	0.000
6	E	749	GLY	0	-0.009	0.012	10.917	0.023	0.023	0.000	0.000	0.000
7	E	750	LEU	0	-0.031	-0.018	11.782	0.015	0.015	0.000	0.000	0.000
8	E	751	THR	0	0.020	0.001	11.603	-0.063	-0.063	0.000	0.000	0.000
9	E	752	PRO	0	-0.005	-0.010	9.118	0.069	0.069	0.000	0.000	0.000
10	E	753	LYS	1	0.917	0.969	11.638	0.124	0.124	0.000	0.000	0.000
11	E	754	LYS	1	0.910	0.964	14.438	0.133	0.133	0.000	0.000	0.000
12	E	755	VAL	0	0.029	0.023	13.956	0.020	0.020	0.000	0.000	0.000
13	E	756	TYR	0	0.002	-0.004	16.811	0.004	0.004	0.000	0.000	0.000
14	E	757	LYS	1	0.947	0.955	19.266	0.160	0.160	0.000	0.000	0.000
15	E	758	PRO	0	-0.004	0.010	22.194	0.002	0.002	0.000	0.000	0.000
16	E	759	GLU	-1	-0.900	-0.933	25.461	-0.063	-0.063	0.000	0.000	0.000
17	E	760	VAL	0	-0.007	-0.003	28.715	0.003	0.003	0.000	0.000	0.000
18	E	761	GLN	0	0.018	0.006	23.544	-0.008	-0.008	0.000	0.000	0.000
19	E	762	LEU	0	-0.002	-0.005	25.703	0.004	0.004	0.000	0.000	0.000
20	E	763	ARG	1	0.918	0.970	26.623	0.005	0.005	0.000	0.000	0.000
21	E	764	ARG	1	0.967	0.977	21.327	-0.012	-0.012	0.000	0.000	0.000
22	E	765	PRO	0	0.023	0.020	23.230	0.006	0.006	0.000	0.000	0.000
23	E	766	ASN	0	-0.032	-0.022	21.901	-0.003	-0.003	0.000	0.000	0.000
24	E	767	TRP	0	0.020	0.016	18.570	0.006	0.006	0.000	0.000	0.000
25	E	768	SER	0	0.007	-0.004	18.157	0.008	0.008	0.000	0.000	0.000
26	E	769	LYS	1	0.916	0.960	11.163	-0.047	-0.047	0.000	0.000	0.000
27	E	770	PHE	0	0.048	0.026	13.454	0.018	0.018	0.000	0.000	0.000
28	E	771	VAL	0	-0.093	-0.049	7.429	-0.113	-0.113	0.000	0.000	0.000
29	E	772	ALA	0	-0.013	-0.033	6.667	-0.002	-0.002	0.000	0.000	0.000
30	E	773	GLU	-1	-0.972	-0.987	5.814	0.908	0.908	0.000	0.000	0.000
31	E	774	ASP	-1	-0.774	-0.861	8.874	0.370	0.370	0.000	0.000	0.000
32	E	775	LEU	0	-0.090	-0.044	11.945	-0.034	-0.034	0.000	0.000	0.000
33	E	776	SER	0	0.020	0.007	13.227	0.014	0.014	0.000	0.000	0.000
34	E	777	GLN	0	0.000	-0.027	15.954	-0.024	-0.024	0.000	0.000	0.000
35	E	778	ASP	-1	-0.896	-0.927	17.812	0.009	0.009	0.000	0.000	0.000
36	E	779	CYS	0	-0.074	-0.004	17.449	0.002	0.002	0.000	0.000	0.000
37	E	780	PHE	0	0.027	-0.008	20.203	-0.013	-0.013	0.000	0.000	0.000
38	E	781	TRP	0	0.034	-0.021	17.138	-0.016	-0.016	0.000	0.000	0.000
39	E	782	THR	0	0.023	0.008	15.754	-0.015	-0.015	0.000	0.000	0.000
40	E	783	LYS	1	0.952	0.984	17.511	0.002	0.002	0.000	0.000	0.000
41	E	784	VAL	0	0.042	0.044	18.733	-0.008	-0.008	0.000	0.000	0.000
42	E	785	LYS	1	0.799	0.923	16.131	0.137	0.137	0.000	0.000	0.000
43	E	786	GLU	-1	-0.835	-0.931	18.538	-0.059	-0.059	0.000	0.000	0.000
44	E	787	ASP	-1	-0.923	-0.980	19.522	-0.104	-0.104	0.000	0.000	0.000
45	E	788	ARG	1	0.891	0.935	21.954	0.103	0.103	0.000	0.000	0.000
46	E	789	PHE	0	-0.037	-0.012	25.077	0.003	0.003	0.000	0.000	0.000
47	E	790	GLU	-1	-0.843	-0.917	26.676	-0.028	-0.028	0.000	0.000	0.000
48	E	791	ASN	0	-0.089	-0.038	25.129	-0.007	-0.007	0.000	0.000	0.000
49	E	792	ASN	0	-0.005	-0.009	28.332	0.002	0.002	0.000	0.000	0.000
50	E	793	GLU	-1	-0.863	-0.927	30.245	-0.065	-0.065	0.000	0.000	0.000
51	E	794	LEU	0	-0.053	-0.038	28.854	0.004	0.004	0.000	0.000	0.000
52	E	795	PHE	0	0.081	0.039	25.180	0.003	0.003	0.000	0.000	0.000
53	E	796	ALA	0	0.067	0.084	29.953	0.003	0.003	0.000	0.000	0.000
54	E	797	LYS	1	0.967	0.970	33.274	0.035	0.035	0.000	0.000	0.000
55	E	798	LEU	0	-0.011	0.000	27.315	0.003	0.003	0.000	0.000	0.000
56	E	799	THR	0	-0.011	-0.069	30.316	0.002	0.002	0.000	0.000	0.000
57	E	800	LEU	0	-0.043	-0.026	31.715	0.003	0.003	0.000	0.000	0.000
58	E	801	ALA	0	-0.014	0.010	34.479	0.002	0.002	0.000	0.000	0.000
59	E	802	PHE	0	-0.038	-0.016	30.781	0.004	0.004	0.000	0.000	0.000
60	E	803	SER	0	0.005	0.010	31.166	0.000	0.000	0.000	0.000	0.000
61	E	804	ALA	0	-0.061	-0.031	30.796	0.003	0.003	0.000	0.000	0.000
62	E	805	GLN	0	0.001	-0.006	32.718	-0.003	-0.003	0.000	0.000	0.000
63	E	806	THR	0	0.001	-0.001	34.832	0.002	0.002	0.000	0.000	0.000
64	E	807	NME	0	0.027	0.028	37.756	0.002	0.002	0.000	0.000	0.000
65	E	827	ACE	0	0.014	-0.004	56.536	0.000	0.000	0.000	0.000	0.000
66	E	828	LYS	1	0.889	0.980	51.608	-0.002	-0.002	0.000	0.000	0.000
67	E	829	VAL	0	-0.029	-0.036	51.423	0.000	0.000	0.000	0.000	0.000
68	E	830	LYS	1	0.984	0.980	54.838	0.001	0.001	0.000	0.000	0.000
69	E	831	GLU	-1	-0.933	-0.960	55.115	0.003	0.003	0.000	0.000	0.000
70	E	832	LEU	0	-0.031	-0.020	53.202	0.000	0.000	0.000	0.000	0.000
71	E	833	LYS	1	0.952	0.975	56.967	-0.003	-0.003	0.000	0.000	0.000
72	E	834	VAL	0	-0.039	-0.009	60.046	0.000	0.000	0.000	0.000	0.000
73	E	835	LEU	0	-0.061	-0.031	57.114	0.001	0.001	0.000	0.000	0.000
74	E	836	ASP	-1	-0.790	-0.878	53.407	0.010	0.010	0.000	0.000	0.000
75	E	837	SER	0	-0.017	-0.036	48.809	0.000	0.000	0.000	0.000	0.000
76	E	838	LYS	1	0.933	0.969	49.255	-0.014	-0.014	0.000	0.000	0.000
77	E	839	THR	0	0.052	-0.001	51.394	0.000	0.000	0.000	0.000	0.000
78	E	840	ALA	0	0.009	0.006	53.651	-0.001	-0.001	0.000	0.000	0.000
79	E	841	GLN	0	-0.035	-0.004	46.333	-0.001	-0.001	0.000	0.000	0.000
80	E	842	ASN	0	-0.021	-0.020	50.756	-0.001	-0.001	0.000	0.000	0.000
81	E	843	LEU	0	0.063	0.030	52.430	-0.001	-0.001	0.000	0.000	0.000
82	E	844	SER	0	-0.005	0.009	51.994	-0.001	-0.001	0.000	0.000	0.000
83	E	845	ILE	0	-0.042	-0.007	48.369	-0.001	-0.001	0.000	0.000	0.000
84	E	846	PHE	0	-0.019	-0.012	52.327	-0.001	-0.001	0.000	0.000	0.000
85	E	847	LEU	0	-0.006	-0.016	55.498	0.000	0.000	0.000	0.000	0.000
86	E	848	GLY	0	0.003	0.011	54.109	-0.001	-0.001	0.000	0.000	0.000
87	E	849	SER	0	-0.066	-0.038	53.886	-0.001	-0.001	0.000	0.000	0.000
88	E	850	PHE	0	-0.022	-0.004	56.087	0.000	0.000	0.000	0.000	0.000
89	E	851	ARG	1	0.901	0.954	57.376	0.001	0.001	0.000	0.000	0.000
90	E	852	MET	0	0.034	0.035	60.845	0.000	0.000	0.000	0.000	0.000
91	E	853	PRO	0	0.037	0.015	64.285	0.000	0.000	0.000	0.000	0.000
92	E	854	TYR	0	0.113	0.039	60.097	0.000	0.000	0.000	0.000	0.000
93	E	855	GLN	0	-0.016	-0.024	66.699	0.000	0.000	0.000	0.000	0.000
94	E	856	GLU	-1	-0.963	-0.967	69.197	0.000	0.000	0.000	0.000	0.000
95	E	857	ILE	0	0.043	0.010	64.344	0.000	0.000	0.000	0.000	0.000
96	E	858	LYS	1	0.947	0.978	68.761	-0.002	-0.002	0.000	0.000	0.000
97	E	859	ASN	0	0.020	-0.005	71.098	0.000	0.000	0.000	0.000	0.000
98	E	860	VAL	0	0.041	0.026	70.666	0.000	0.000	0.000	0.000	0.000
99	E	861	ILE	0	-0.041	-0.021	68.420	0.000	0.000	0.000	0.000	0.000
100	E	862	LEU	0	-0.055	-0.038	72.395	0.000	0.000	0.000	0.000	0.000
101	E	863	GLU	-1	-0.892	-0.943	75.916	0.001	0.001	0.000	0.000	0.000
102	E	864	VAL	0	-0.063	-0.029	74.600	0.000	0.000	0.000	0.000	0.000
103	E	865	ASN	0	-0.012	-0.013	73.979	0.000	0.000	0.000	0.000	0.000
104	E	866	GLU	-1	-0.850	-0.954	73.578	0.003	0.003	0.000	0.000	0.000
105	E	867	ALA	0	-0.024	0.002	73.428	0.000	0.000	0.000	0.000	0.000
106	E	868	VAL	0	-0.026	-0.004	69.116	0.000	0.000	0.000	0.000	0.000
107	E	869	LEU	0	-0.043	-0.012	68.859	0.000	0.000	0.000	0.000	0.000
108	E	870	THR	0	0.042	0.009	65.802	0.000	0.000	0.000	0.000	0.000
109	E	871	GLU	-1	-0.865	-0.943	64.838	0.005	0.005	0.000	0.000	0.000
110	E	872	SER	0	0.001	0.006	60.705	0.000	0.000	0.000	0.000	0.000
111	E	873	MET	0	-0.025	-0.003	62.061	0.000	0.000	0.000	0.000	0.000
112	E	874	ILE	0	0.033	0.008	63.263	0.000	0.000	0.000	0.000	0.000
113	E	875	GLN	0	0.036	0.009	61.333	0.000	0.000	0.000	0.000	0.000
114	E	876	ASN	0	-0.052	-0.013	58.198	0.001	0.001	0.000	0.000	0.000
115	E	877	LEU	0	0.004	0.009	60.044	0.000	0.000	0.000	0.000	0.000
116	E	878	ILE	0	-0.011	-0.003	62.141	0.000	0.000	0.000	0.000	0.000
117	E	879	LYS	1	0.909	0.957	53.283	-0.009	-0.009	0.000	0.000	0.000
118	E	880	GLN	0	-0.026	-0.028	54.461	0.000	0.000	0.000	0.000	0.000
119	E	881	MET	0	-0.055	-0.002	58.590	0.000	0.000	0.000	0.000	0.000
120	E	882	PRO	0	0.014	0.015	59.774	0.001	0.001	0.000	0.000	0.000
121	E	883	GLU	-1	-0.907	-0.951	60.109	0.010	0.010	0.000	0.000	0.000
122	E	884	PRO	0	-0.035	-0.045	63.163	0.000	0.000	0.000	0.000	0.000
123	E	885	GLU	-1	-0.930	-0.952	63.476	0.009	0.009	0.000	0.000	0.000
124	E	886	GLN	0	0.042	-0.009	58.347	0.000	0.000	0.000	0.000	0.000
125	E	887	LEU	0	-0.013	0.007	63.869	0.000	0.000	0.000	0.000	0.000
126	E	888	LYS	1	0.938	0.975	66.318	-0.006	-0.006	0.000	0.000	0.000
127	E	889	MET	0	-0.020	-0.009	63.159	0.000	0.000	0.000	0.000	0.000
128	E	890	LEU	0	0.038	0.027	62.272	0.000	0.000	0.000	0.000	0.000
129	E	891	SER	0	-0.080	-0.029	66.469	0.000	0.000	0.000	0.000	0.000
130	E	892	GLU	-1	-0.948	-0.990	69.453	0.005	0.005	0.000	0.000	0.000
131	E	893	LEU	0	-0.024	-0.006	64.860	0.000	0.000	0.000	0.000	0.000
132	E	894	LYS	1	0.902	0.947	68.374	-0.003	-0.003	0.000	0.000	0.000
133	E	895	GLU	-1	-0.961	-0.966	70.770	0.001	0.001	0.000	0.000	0.000
134	E	896	GLU	-1	-0.901	-0.936	66.891	0.002	0.002	0.000	0.000	0.000
135	E	897	TYR	0	-0.045	-0.038	66.567	0.000	0.000	0.000	0.000	0.000
136	E	898	ASP	-1	-0.921	-0.970	65.529	0.000	0.000	0.000	0.000	0.000
137	E	899	ASP	-1	-0.973	-0.981	63.132	0.000	0.000	0.000	0.000	0.000
138	E	900	LEU	0	-0.051	-0.013	61.307	0.000	0.000	0.000	0.000	0.000
139	E	901	ALA	0	-0.002	-0.014	56.703	-0.001	-0.001	0.000	0.000	0.000
140	E	902	GLU	-1	-0.891	-0.956	56.838	0.000	0.000	0.000	0.000	0.000
141	E	903	SER	0	0.001	-0.003	56.323	0.000	0.000	0.000	0.000	0.000
142	E	904	GLU	-1	-0.757	-0.895	58.445	0.005	0.005	0.000	0.000	0.000
143	E	905	GLN	0	-0.013	0.004	61.088	0.000	0.000	0.000	0.000	0.000
144	E	906	PHE	0	0.004	0.006	61.654	0.000	0.000	0.000	0.000	0.000
145	E	907	GLY	0	0.024	0.001	62.880	0.000	0.000	0.000	0.000	0.000
146	E	908	VAL	0	0.033	0.019	64.417	0.000	0.000	0.000	0.000	0.000
147	E	909	VAL	0	-0.060	-0.013	66.983	0.000	0.000	0.000	0.000	0.000
148	E	910	MET	0	-0.027	-0.028	65.426	0.000	0.000	0.000	0.000	0.000
149	E	911	GLY	0	0.017	0.016	68.418	0.000	0.000	0.000	0.000	0.000
150	E	912	THR	0	-0.078	-0.044	69.730	0.000	0.000	0.000	0.000	0.000
151	E	913	VAL	0	-0.030	0.002	71.121	0.000	0.000	0.000	0.000	0.000
152	E	914	PRO	0	0.032	0.017	72.911	0.000	0.000	0.000	0.000	0.000
153	E	915	ARG	1	0.941	0.970	73.451	-0.005	-0.005	0.000	0.000	0.000
154	E	916	LEU	0	0.098	0.049	67.463	0.000	0.000	0.000	0.000	0.000
155	E	917	ARG	1	0.995	0.986	61.843	-0.008	-0.008	0.000	0.000	0.000
156	E	918	PRO	0	-0.016	-0.007	69.221	0.000	0.000	0.000	0.000	0.000
157	E	919	ARG	1	0.859	0.938	72.464	-0.004	-0.004	0.000	0.000	0.000
158	E	920	LEU	0	0.008	-0.013	66.322	0.000	0.000	0.000	0.000	0.000
159	E	921	ASN	0	-0.011	-0.003	68.109	0.000	0.000	0.000	0.000	0.000
160	E	922	ALA	0	0.023	0.010	70.247	0.000	0.000	0.000	0.000	0.000
161	E	923	ILE	0	0.001	0.001	70.790	0.000	0.000	0.000	0.000	0.000
162	E	924	LEU	0	-0.009	0.007	65.945	0.000	0.000	0.000	0.000	0.000
163	E	925	PHE	0	0.012	-0.002	69.790	0.000	0.000	0.000	0.000	0.000
164	E	926	LYS	1	0.934	0.975	72.040	-0.004	-0.004	0.000	0.000	0.000
165	E	927	LEU	0	-0.047	-0.030	69.540	0.000	0.000	0.000	0.000	0.000
166	E	928	GLN	0	0.039	0.022	66.200	0.000	0.000	0.000	0.000	0.000
167	E	929	PHE	0	-0.044	-0.018	70.715	0.000	0.000	0.000	0.000	0.000
168	E	930	SER	0	0.037	-0.009	74.182	0.000	0.000	0.000	0.000	0.000
169	E	931	GLU	-1	-0.901	-0.942	67.135	0.006	0.006	0.000	0.000	0.000
170	E	932	GLN	0	-0.032	-0.011	70.772	0.000	0.000	0.000	0.000	0.000
171	E	933	VAL	0	-0.004	-0.007	72.061	0.000	0.000	0.000	0.000	0.000
172	E	934	GLU	-1	-1.004	-1.003	73.095	0.004	0.004	0.000	0.000	0.000
173	E	935	ASN	0	0.026	0.016	68.274	0.000	0.000	0.000	0.000	0.000
174	E	936	ILE	0	-0.028	-0.004	72.004	0.000	0.000	0.000	0.000	0.000
175	E	937	LYS	1	0.974	0.978	74.920	-0.004	-0.004	0.000	0.000	0.000
176	E	938	PRO	0	0.010	0.007	74.243	0.000	0.000	0.000	0.000	0.000
177	E	939	GLU	-1	-0.855	-0.941	70.930	0.007	0.007	0.000	0.000	0.000
178	E	940	ILE	0	0.032	0.023	75.607	0.000	0.000	0.000	0.000	0.000
179	E	941	VAL	0	-0.041	0.006	78.916	0.000	0.000	0.000	0.000	0.000
180	E	942	SER	0	-0.044	-0.026	76.584	0.000	0.000	0.000	0.000	0.000
181	E	943	VAL	0	0.036	0.010	77.074	0.000	0.000	0.000	0.000	0.000
182	E	944	THR	0	-0.041	-0.049	79.573	0.000	0.000	0.000	0.000	0.000
183	E	945	ALA	0	-0.016	-0.006	81.603	0.000	0.000	0.000	0.000	0.000
184	E	946	ALA	0	0.015	0.014	79.871	0.000	0.000	0.000	0.000	0.000
185	E	947	CYS	0	-0.013	-0.007	81.993	0.000	0.000	0.000	0.000	0.000
186	E	948	GLU	-1	-0.954	-0.976	84.339	0.005	0.005	0.000	0.000	0.000
187	E	949	GLU	-1	-0.839	-0.920	82.509	0.005	0.005	0.000	0.000	0.000
188	E	950	LEU	0	-0.012	-0.008	83.121	0.000	0.000	0.000	0.000	0.000
189	E	951	ARG	1	0.911	0.970	85.784	-0.005	-0.005	0.000	0.000	0.000
190	E	952	LYS	1	0.896	0.940	89.113	-0.005	-0.005	0.000	0.000	0.000
191	E	953	SER	0	-0.028	-0.040	87.435	0.000	0.000	0.000	0.000	0.000
192	E	954	GLU	-1	-0.850	-0.949	89.463	0.005	0.005	0.000	0.000	0.000
193	E	955	ASN	0	-0.001	0.003	88.873	0.000	0.000	0.000	0.000	0.000
194	E	956	PHE	0	-0.023	-0.016	83.359	0.000	0.000	0.000	0.000	0.000
195	E	957	SER	0	-0.022	-0.002	87.786	0.000	0.000	0.000	0.000	0.000
196	E	958	SER	0	0.028	0.006	90.836	0.000	0.000	0.000	0.000	0.000
197	E	959	LEU	0	0.000	0.014	84.194	0.000	0.000	0.000	0.000	0.000
198	E	960	LEU	0	-0.014	0.019	86.014	0.000	0.000	0.000	0.000	0.000
199	E	961	GLU	-1	-0.920	-0.950	89.170	0.005	0.005	0.000	0.000	0.000
200	E	962	LEU	0	-0.002	-0.006	89.319	0.000	0.000	0.000	0.000	0.000
201	E	963	THR	0	-0.060	-0.070	85.739	0.000	0.000	0.000	0.000	0.000
202	E	964	LEU	0	-0.045	-0.009	88.827	0.000	0.000	0.000	0.000	0.000
203	E	965	LEU	0	-0.009	0.018	91.129	0.000	0.000	0.000	0.000	0.000
204	E	966	VAL	0	0.027	0.003	88.436	0.000	0.000	0.000	0.000	0.000
205	E	967	GLY	0	0.029	0.004	88.825	0.000	0.000	0.000	0.000	0.000
206	E	968	ASN	0	-0.073	-0.062	89.594	0.000	0.000	0.000	0.000	0.000
207	E	969	TYR	0	-0.042	-0.005	92.930	0.000	0.000	0.000	0.000	0.000
208	E	970	MET	0	-0.013	-0.006	85.792	0.000	0.000	0.000	0.000	0.000
209	E	971	ASN	0	-0.094	-0.039	88.391	0.000	0.000	0.000	0.000	0.000
210	E	972	ALA	0	0.019	0.004	90.868	0.000	0.000	0.000	0.000	0.000
211	E	973	GLY	0	0.036	0.023	93.482	0.000	0.000	0.000	0.000	0.000
212	E	974	SER	0	-0.082	-0.045	90.718	0.000	0.000	0.000	0.000	0.000
213	E	975	ARG	1	0.958	0.977	84.273	-0.009	-0.009	0.000	0.000	0.000
214	E	976	ASN	0	-0.049	-0.013	87.009	0.000	0.000	0.000	0.000	0.000
215	E	977	ALA	0	0.092	0.024	90.935	0.000	0.000	0.000	0.000	0.000
216	E	978	GLY	0	-0.029	0.005	93.850	0.000	0.000	0.000	0.000	0.000
217	E	979	ALA	0	-0.021	0.000	91.963	0.000	0.000	0.000	0.000	0.000
218	E	980	PHE	0	0.047	0.004	93.929	0.000	0.000	0.000	0.000	0.000
219	E	981	GLY	0	0.030	0.023	91.432	0.000	0.000	0.000	0.000	0.000
220	E	982	PHE	0	-0.066	-0.030	84.845	0.000	0.000	0.000	0.000	0.000
221	E	983	ASN	0	0.032	0.009	82.775	0.000	0.000	0.000	0.000	0.000
222	E	984	ILE	0	0.104	0.048	81.769	0.000	0.000	0.000	0.000	0.000
223	E	985	SER	0	0.067	0.036	78.598	0.000	0.000	0.000	0.000	0.000
224	E	986	PHE	0	-0.047	-0.042	78.781	0.000	0.000	0.000	0.000	0.000
225	E	987	LEU	0	0.036	0.028	80.041	0.000	0.000	0.000	0.000	0.000
226	E	988	CYS	0	0.047	-0.022	74.808	0.000	0.000	0.000	0.000	0.000
227	E	989	LYS	1	0.894	0.966	75.667	-0.010	-0.010	0.000	0.000	0.000
228	E	990	LEU	0	0.009	0.020	77.497	0.000	0.000	0.000	0.000	0.000
229	E	991	ARG	1	0.947	0.973	70.823	-0.009	-0.009	0.000	0.000	0.000
230	E	992	ASP	-1	-0.904	-0.959	74.021	0.010	0.010	0.000	0.000	0.000
231	E	993	THR	0	-0.066	-0.013	76.550	0.000	0.000	0.000	0.000	0.000
232	E	994	LYS	1	0.917	0.953	73.936	-0.010	-0.010	0.000	0.000	0.000
233	E	995	SER	0	0.010	0.021	79.741	0.000	0.000	0.000	0.000	0.000
234	E	996	ALA	0	0.038	0.015	79.940	0.000	0.000	0.000	0.000	0.000
235	E	997	ASP	-1	-0.897	-0.969	79.764	0.008	0.008	0.000	0.000	0.000
236	E	998	GLN	0	-0.048	-0.034	75.464	0.000	0.000	0.000	0.000	0.000
237	E	999	LYS	1	0.898	0.966	76.174	-0.007	-0.007	0.000	0.000	0.000
238	E	1000	MET	0	-0.046	-0.017	77.821	0.000	0.000	0.000	0.000	0.000
239	E	1001	THR	0	-0.002	-0.012	76.381	0.000	0.000	0.000	0.000	0.000
240	E	1002	LEU	0	0.057	0.014	79.650	0.000	0.000	0.000	0.000	0.000
241	E	1003	LEU	0	0.022	0.012	77.434	0.000	0.000	0.000	0.000	0.000
242	E	1004	HIS	0	-0.017	0.008	76.042	0.000	0.000	0.000	0.000	0.000
243	E	1005	PHE	0	0.047	0.037	81.340	0.000	0.000	0.000	0.000	0.000
244	E	1006	LEU	0	0.042	0.018	84.507	0.000	0.000	0.000	0.000	0.000
245	E	1007	ALA	0	0.013	0.010	82.404	0.000	0.000	0.000	0.000	0.000
246	E	1008	GLU	-1	-0.954	-0.982	84.431	0.005	0.005	0.000	0.000	0.000
247	E	1009	LEU	0	-0.035	-0.011	86.177	0.000	0.000	0.000	0.000	0.000
248	E	1010	CYS	0	-0.062	-0.033	87.158	0.000	0.000	0.000	0.000	0.000
249	E	1011	GLU	-1	-0.873	-0.966	84.281	0.005	0.005	0.000	0.000	0.000
250	E	1012	ASN	0	-0.092	-0.033	88.197	0.000	0.000	0.000	0.000	0.000
251	E	1013	ASP	-1	-0.926	-0.963	91.407	0.004	0.004	0.000	0.000	0.000
252	E	1014	HIS	0	-0.031	-0.006	92.094	0.000	0.000	0.000	0.000	0.000
253	E	1015	PRO	0	0.029	0.006	90.174	0.000	0.000	0.000	0.000	0.000
254	E	1016	GLU	-1	-0.907	-0.956	89.813	0.004	0.004	0.000	0.000	0.000
255	E	1017	VAL	0	0.051	0.017	87.303	0.000	0.000	0.000	0.000	0.000
256	E	1018	LEU	0	-0.043	-0.034	83.943	0.000	0.000	0.000	0.000	0.000
257	E	1019	LYS	1	0.947	0.974	84.854	-0.004	-0.004	0.000	0.000	0.000
258	E	1020	PHE	0	0.012	0.010	81.819	0.000	0.000	0.000	0.000	0.000
259	E	1021	PRO	0	-0.057	-0.038	80.040	0.000	0.000	0.000	0.000	0.000
260	E	1022	ASP	-1	-0.921	-0.964	81.057	0.005	0.005	0.000	0.000	0.000
261	E	1023	GLU	-1	-0.846	-0.870	83.165	0.005	0.005	0.000	0.000	0.000
262	E	1024	LEU	0	-0.040	-0.007	81.370	0.000	0.000	0.000	0.000	0.000
263	E	1025	ALA	0	0.012	0.009	80.242	0.000	0.000	0.000	0.000	0.000
264	E	1026	HIS	0	-0.095	-0.079	78.523	0.000	0.000	0.000	0.000	0.000
265	E	1027	VAL	0	0.004	0.007	76.987	0.000	0.000	0.000	0.000	0.000
266	E	1028	GLU	-1	-0.915	-0.952	71.154	0.007	0.007	0.000	0.000	0.000
267	E	1029	LYS	1	0.910	0.955	73.111	-0.005	-0.005	0.000	0.000	0.000
268	E	1030	ALA	0	0.038	0.025	73.499	0.000	0.000	0.000	0.000	0.000
269	E	1031	SER	0	-0.059	-0.031	71.849	0.000	0.000	0.000	0.000	0.000
270	E	1032	ARG	1	0.914	0.937	67.142	-0.007	-0.007	0.000	0.000	0.000
271	E	1033	VAL	0	-0.021	0.024	69.481	0.000	0.000	0.000	0.000	0.000
272	E	1034	SER	0	0.004	0.008	68.788	0.000	0.000	0.000	0.000	0.000
273	E	1035	ALA	0	0.007	-0.036	70.919	0.000	0.000	0.000	0.000	0.000
274	E	1036	GLU	-1	-0.951	-0.983	69.373	0.011	0.011	0.000	0.000	0.000
275	E	1037	ASN	0	0.023	-0.014	66.414	0.000	0.000	0.000	0.000	0.000
276	E	1038	LEU	0	0.031	0.039	70.695	0.000	0.000	0.000	0.000	0.000
277	E	1039	GLN	0	-0.017	0.005	73.987	0.000	0.000	0.000	0.000	0.000
278	E	1040	LYS	1	0.957	0.970	67.704	-0.011	-0.011	0.000	0.000	0.000
279	E	1041	SER	0	0.004	-0.002	71.345	0.000	0.000	0.000	0.000	0.000
280	E	1042	LEU	0	-0.005	0.000	72.778	0.000	0.000	0.000	0.000	0.000
281	E	1043	ASP	-1	-0.907	-0.955	74.736	0.008	0.008	0.000	0.000	0.000
282	E	1044	GLN	0	-0.063	-0.028	67.725	0.000	0.000	0.000	0.000	0.000
283	E	1045	MET	0	0.037	0.030	73.484	0.000	0.000	0.000	0.000	0.000
284	E	1046	LYS	1	0.956	0.975	75.584	-0.007	-0.007	0.000	0.000	0.000
285	E	1047	LYS	1	0.802	0.902	71.955	-0.008	-0.008	0.000	0.000	0.000
286	E	1048	GLN	0	0.017	-0.009	70.221	0.000	0.000	0.000	0.000	0.000
287	E	1049	ILE	0	-0.010	0.005	75.020	0.000	0.000	0.000	0.000	0.000
288	E	1050	ALA	0	0.034	0.015	78.616	0.000	0.000	0.000	0.000	0.000
289	E	1051	ASP	-1	-0.889	-0.923	73.678	0.007	0.007	0.000	0.000	0.000
290	E	1052	VAL	0	0.017	0.001	75.743	0.000	0.000	0.000	0.000	0.000
291	E	1053	GLU	-1	-0.929	-0.971	78.026	0.005	0.005	0.000	0.000	0.000
292	E	1054	ARG	1	0.944	0.970	77.084	-0.007	-0.007	0.000	0.000	0.000
293	E	1055	ASP	-1	-0.954	-0.985	75.738	0.006	0.006	0.000	0.000	0.000
294	E	1056	VAL	0	-0.036	-0.024	78.904	0.000	0.000	0.000	0.000	0.000
295	E	1057	GLN	0	-0.028	-0.011	81.895	0.000	0.000	0.000	0.000	0.000
296	E	1058	ASN	0	-0.077	-0.025	79.956	0.000	0.000	0.000	0.000	0.000
297	E	1059	PHE	0	-0.032	-0.018	76.440	0.000	0.000	0.000	0.000	0.000
298	E	1060	PRO	0	-0.033	-0.014	79.527	0.000	0.000	0.000	0.000	0.000
299	E	1061	ALA	0	0.012	0.005	82.647	0.000	0.000	0.000	0.000	0.000
300	E	1062	ALA	0	0.033	0.010	82.543	0.000	0.000	0.000	0.000	0.000
301	E	1063	THR	0	-0.060	-0.024	82.241	0.000	0.000	0.000	0.000	0.000
302	E	1064	ASP	-1	-0.896	-0.949	79.611	0.002	0.002	0.000	0.000	0.000
303	E	1065	GLU	-1	-0.919	-0.976	82.938	0.002	0.002	0.000	0.000	0.000
304	E	1066	LYS	1	0.873	0.946	77.398	-0.001	-0.001	0.000	0.000	0.000
305	E	1067	ASP	-1	-0.864	-0.917	79.029	0.003	0.003	0.000	0.000	0.000
306	E	1068	LYS	1	0.989	0.998	79.716	-0.002	-0.002	0.000	0.000	0.000
307	E	1069	PHE	0	0.002	0.000	75.672	0.000	0.000	0.000	0.000	0.000
308	E	1070	VAL	0	0.063	0.015	79.856	0.000	0.000	0.000	0.000	0.000
309	E	1071	GLU	-1	-0.951	-0.942	83.006	0.002	0.002	0.000	0.000	0.000
310	E	1072	LYS	1	0.910	0.945	78.601	-0.002	-0.002	0.000	0.000	0.000
311	E	1073	MET	0	-0.016	0.009	76.790	0.000	0.000	0.000	0.000	0.000
312	E	1074	THR	0	-0.012	-0.028	80.929	0.000	0.000	0.000	0.000	0.000
313	E	1075	SER	0	-0.060	-0.040	83.857	0.000	0.000	0.000	0.000	0.000
314	E	1076	PHE	0	0.010	0.021	76.472	0.000	0.000	0.000	0.000	0.000
315	E	1077	VAL	0	0.048	0.032	81.238	0.000	0.000	0.000	0.000	0.000
316	E	1078	LYS	1	0.901	0.946	82.824	-0.003	-0.003	0.000	0.000	0.000
317	E	1079	ASP	-1	-0.851	-0.931	81.912	0.004	0.004	0.000	0.000	0.000
318	E	1080	ALA	0	0.011	0.006	79.551	0.000	0.000	0.000	0.000	0.000
319	E	1081	GLN	0	-0.010	-0.010	81.365	0.000	0.000	0.000	0.000	0.000
320	E	1082	GLU	-1	-0.974	-0.982	83.832	0.004	0.004	0.000	0.000	0.000
321	E	1083	GLN	0	-0.036	-0.035	80.220	0.000	0.000	0.000	0.000	0.000
322	E	1084	TYR	0	0.046	0.030	79.393	0.000	0.000	0.000	0.000	0.000
323	E	1085	ASN	0	-0.012	-0.007	82.038	0.000	0.000	0.000	0.000	0.000
324	E	1086	LYS	1	0.919	0.969	84.680	-0.004	-0.004	0.000	0.000	0.000
325	E	1087	LEU	0	0.045	0.017	78.158	0.000	0.000	0.000	0.000	0.000
326	E	1088	ARG	1	0.962	0.981	82.174	-0.006	-0.006	0.000	0.000	0.000
327	E	1089	MET	0	-0.013	-0.007	83.266	0.000	0.000	0.000	0.000	0.000
328	E	1090	MET	0	-0.029	-0.008	82.887	0.000	0.000	0.000	0.000	0.000
329	E	1091	HIS	0	0.085	0.055	77.985	0.000	0.000	0.000	0.000	0.000
330	E	1092	SER	0	-0.025	-0.014	82.236	0.000	0.000	0.000	0.000	0.000
331	E	1093	ASN	0	-0.005	0.007	85.083	0.000	0.000	0.000	0.000	0.000
332	E	1094	MET	0	-0.034	-0.008	79.355	0.000	0.000	0.000	0.000	0.000
333	E	1095	GLU	-1	-0.935	-0.992	80.713	0.008	0.008	0.000	0.000	0.000
334	E	1096	THR	0	-0.062	-0.033	83.664	0.000	0.000	0.000	0.000	0.000
335	E	1097	LEU	0	0.033	0.013	85.806	0.000	0.000	0.000	0.000	0.000
336	E	1098	TYR	0	-0.041	-0.043	79.317	0.000	0.000	0.000	0.000	0.000
337	E	1099	LYS	1	0.812	0.874	84.468	-0.007	-0.007	0.000	0.000	0.000
338	E	1100	GLU	-1	-0.949	-0.987	86.651	0.006	0.006	0.000	0.000	0.000
339	E	1101	LEU	0	-0.020	-0.015	84.295	0.000	0.000	0.000	0.000	0.000
340	E	1102	GLY	0	-0.022	0.005	86.143	0.000	0.000	0.000	0.000	0.000
341	E	1103	ASP	-1	-0.827	-0.894	86.866	0.007	0.007	0.000	0.000	0.000
342	E	1104	TYR	0	-0.085	-0.030	90.005	0.000	0.000	0.000	0.000	0.000
343	E	1105	PHE	0	-0.010	-0.030	86.921	0.000	0.000	0.000	0.000	0.000
344	E	1106	VAL	0	-0.043	-0.006	88.031	0.000	0.000	0.000	0.000	0.000
345	E	1107	PHE	0	-0.060	-0.025	82.293	0.000	0.000	0.000	0.000	0.000
346	E	1108	ASP	-1	-0.862	-0.947	82.599	0.009	0.009	0.000	0.000	0.000
347	E	1109	PRO	0	0.038	0.015	81.885	0.000	0.000	0.000	0.000	0.000
348	E	1110	LYS	1	0.910	0.952	80.750	-0.008	-0.008	0.000	0.000	0.000
349	E	1111	LYS	1	0.871	0.947	76.569	-0.010	-0.010	0.000	0.000	0.000
350	E	1112	LEU	0	0.048	0.039	75.234	0.000	0.000	0.000	0.000	0.000
351	E	1113	SER	0	0.014	0.023	73.030	0.000	0.000	0.000	0.000	0.000
352	E	1114	VAL	0	0.040	0.005	75.984	0.000	0.000	0.000	0.000	0.000
353	E	1115	GLU	-1	-0.754	-0.833	71.455	0.010	0.010	0.000	0.000	0.000
354	E	1116	GLU	-1	-0.933	-0.974	70.964	0.011	0.011	0.000	0.000	0.000
355	E	1117	PHE	0	-0.016	0.009	73.659	0.000	0.000	0.000	0.000	0.000
356	E	1118	PHE	0	0.011	-0.029	76.306	0.000	0.000	0.000	0.000	0.000
357	E	1119	MET	0	-0.008	0.012	68.769	0.000	0.000	0.000	0.000	0.000
358	E	1120	ASP	-1	-0.920	-0.948	73.511	0.009	0.009	0.000	0.000	0.000
359	E	1121	LEU	0	-0.019	-0.014	75.293	0.000	0.000	0.000	0.000	0.000
360	E	1122	HIS	0	0.052	0.031	71.010	0.000	0.000	0.000	0.000	0.000
361	E	1123	ASN	0	-0.018	-0.030	70.390	0.000	0.000	0.000	0.000	0.000
362	E	1124	PHE	0	0.036	-0.002	73.628	0.000	0.000	0.000	0.000	0.000
363	E	1125	ARG	1	0.885	0.965	75.376	-0.007	-0.007	0.000	0.000	0.000
364	E	1126	ASN	0	0.006	-0.013	71.331	0.000	0.000	0.000	0.000	0.000
365	E	1127	MET	0	-0.118	0.002	73.670	0.000	0.000	0.000	0.000	0.000
366	E	1128	PHE	0	0.037	0.024	75.431	0.000	0.000	0.000	0.000	0.000
367	E	1129	LEU	0	0.033	0.004	76.544	0.000	0.000	0.000	0.000	0.000
368	E	1130	GLN	0	-0.049	-0.011	71.361	0.000	0.000	0.000	0.000	0.000
369	E	1131	ALA	0	-0.016	-0.024	75.363	0.000	0.000	0.000	0.000	0.000
370	E	1132	VAL	0	0.067	0.031	77.952	0.000	0.000	0.000	0.000	0.000
371	E	1133	LYS	1	0.964	0.981	74.663	-0.005	-0.005	0.000	0.000	0.000
372	E	1134	GLU	-1	-0.931	-0.958	73.988	0.008	0.008	0.000	0.000	0.000
373	E	1135	ASN	0	-0.026	-0.016	77.016	0.000	0.000	0.000	0.000	0.000
374	E	1136	GLN	0	-0.017	0.005	80.025	0.000	0.000	0.000	0.000	0.000
375	E	1137	LYS	1	1.005	1.014	71.961	-0.006	-0.006	0.000	0.000	0.000
376	E	1138	ARG	1	0.885	0.946	78.005	-0.006	-0.006	0.000	0.000	0.000
377	E	1139	ARG	1	0.949	0.979	79.110	-0.005	-0.005	0.000	0.000	0.000
378	E	1140	GLU	-1	-0.968	-0.998	79.370	0.004	0.004	0.000	0.000	0.000
379	E	1141	THR	0	-0.125	-0.070	77.486	0.000	0.000	0.000	0.000	0.000
380	E	1142	GLU	-1	-0.917	-0.955	79.890	0.006	0.006	0.000	0.000	0.000
381	E	1143	GLU	-1	-0.902	-0.945	83.273	0.004	0.004	0.000	0.000	0.000
382	E	1144	LYS	1	0.922	0.954	78.201	-0.004	-0.004	0.000	0.000	0.000
383	E	1145	MET	0	0.017	0.017	80.566	0.000	0.000	0.000	0.000	0.000
384	E	1146	ARG	1	0.956	0.974	82.930	-0.004	-0.004	0.000	0.000	0.000
385	E	1147	ARG	1	0.972	0.979	85.879	-0.003	-0.003	0.000	0.000	0.000
386	E	1148	ALA	0	-0.010	0.000	83.089	0.000	0.000	0.000	0.000	0.000
387	E	1149	LYS	1	0.952	0.970	85.061	-0.005	-0.005	0.000	0.000	0.000
388	E	1150	LEU	0	0.036	0.028	86.679	0.000	0.000	0.000	0.000	0.000
389	E	1151	ALA	0	-0.002	-0.004	87.443	0.000	0.000	0.000	0.000	0.000
390	E	1152	LYS	1	0.967	0.982	84.236	-0.004	-0.004	0.000	0.000	0.000
391	E	1153	GLU	-1	-0.948	-0.971	87.992	0.004	0.004	0.000	0.000	0.000
392	E	1154	LYS	1	0.916	0.956	91.069	-0.002	-0.002	0.000	0.000	0.000
393	E	1155	ALA	0	0.028	0.019	89.229	0.000	0.000	0.000	0.000	0.000
394	E	1156	GLU	-1	-0.852	-0.923	89.719	0.003	0.003	0.000	0.000	0.000
395	E	1157	LYS	1	0.961	0.981	91.540	-0.003	-0.003	0.000	0.000	0.000
396	E	1158	GLU	-1	-0.957	-0.985	94.241	0.002	0.002	0.000	0.000	0.000
397	E	1159	ARG	1	0.865	0.938	90.625	-0.003	-0.003	0.000	0.000	0.000
398	E	1160	LEU	0	0.010	-0.001	93.966	0.000	0.000	0.000	0.000	0.000
399	E	1161	GLU	-1	-0.917	-0.958	95.864	0.002	0.002	0.000	0.000	0.000
400	E	1162	LYS	1	0.882	0.942	95.409	-0.002	-0.002	0.000	0.000	0.000
401	E	1163	GLN	0	0.008	-0.007	94.259	0.000	0.000	0.000	0.000	0.000
402	E	1164	GLN	0	0.072	0.032	97.244	0.000	0.000	0.000	0.000	0.000
403	E	1165	LYS	1	0.873	0.937	100.562	-0.002	-0.002	0.000	0.000	0.000
404	E	1166	ARG	1	0.880	0.948	94.714	-0.002	-0.002	0.000	0.000	0.000
405	E	1167	GLU	-1	-0.902	-0.964	97.646	0.002	0.002	0.000	0.000	0.000
406	E	1168	GLN	0	-0.065	-0.015	101.648	0.000	0.000	0.000	0.000	0.000
407	E	1169	LEU	0	-0.074	-0.023	102.845	0.000	0.000	0.000	0.000	0.000
408	E	1170	ILE	0	0.003	-0.015	102.192	0.000	0.000	0.000	0.000	0.000
409	E	1171	ASP	-1	-0.820	-0.886	103.169	0.002	0.002	0.000	0.000	0.000
410	E	1172	MET	0	-0.142	-0.066	99.725	0.000	0.000	0.000	0.000	0.000
411	E	1173	ASN	0	-0.068	-0.040	101.007	0.000	0.000	0.000	0.000	0.000
412	E	1174	ALA	0	-0.038	-0.029	102.238	0.000	0.000	0.000	0.000	0.000
413	E	1175	GLU	-1	-0.866	-0.933	104.928	0.002	0.002	0.000	0.000	0.000
414	E	1176	GLY	0	-0.036	-0.012	108.466	0.000	0.000	0.000	0.000	0.000
415	E	1177	ASP	-1	-0.905	-0.945	107.773	0.002	0.002	0.000	0.000	0.000
416	E	1178	GLU	-1	-0.963	-0.984	110.502	0.001	0.001	0.000	0.000	0.000
417	E	1179	THR	0	-0.043	-0.039	110.948	0.000	0.000	0.000	0.000	0.000
418	E	1180	GLY	0	0.012	0.025	112.353	0.000	0.000	0.000	0.000	0.000
419	E	1181	VAL	0	0.044	-0.003	105.793	0.000	0.000	0.000	0.000	0.000
420	E	1182	MET	0	0.043	0.030	103.125	0.000	0.000	0.000	0.000	0.000
421	E	1183	ASP	-1	-0.870	-0.933	107.563	0.001	0.001	0.000	0.000	0.000
422	E	1184	SER	0	-0.059	-0.037	109.352	0.000	0.000	0.000	0.000	0.000
423	E	1185	LEU	0	-0.029	-0.013	103.034	0.000	0.000	0.000	0.000	0.000
424	E	1186	LEU	0	-0.017	-0.025	105.197	0.000	0.000	0.000	0.000	0.000
425	E	1187	GLU	-1	-0.890	-0.937	107.537	0.001	0.001	0.000	0.000	0.000
426	E	1188	ALA	0	0.013	0.009	106.613	0.000	0.000	0.000	0.000	0.000
427	E	1189	LEU	0	-0.051	-0.036	101.759	0.000	0.000	0.000	0.000	0.000
428	E	1190	GLN	0	-0.055	-0.010	105.526	0.000	0.000	0.000	0.000	0.000
429	E	1191	SER	0	-0.003	0.000	108.480	0.000	0.000	0.000	0.000	0.000
430	E	1192	GLY	0	0.014	0.008	105.599	0.000	0.000	0.000	0.000	0.000
431	E	1193	ALA	0	-0.089	-0.043	105.370	0.000	0.000	0.000	0.000	0.000
432	E	1194	ALA	0	0.054	0.021	102.248	0.000	0.000	0.000	0.000	0.000
433	E	1195	PHE	0	-0.067	-0.016	99.130	0.000	0.000	0.000	0.000	0.000
434	E	1196	ARG	1	0.952	0.989	101.646	-0.001	-0.001	0.000	0.000	0.000
435	E	1197	ARG	1	0.978	0.969	100.324	-0.001	-0.001	0.000	0.000	0.000
436	E	1198	LYS	1	0.876	0.929	98.739	-0.002	-0.002	0.000	0.000	0.000
437	E	1199	NME	0	0.084	0.065	95.543	0.000	0.000	0.000	0.000	0.000

Top

Graph

Manual

About

Interactive mode: IFIE and PIEDA for fragment #1(E:744:ACE )