FMO DATABASE

FMODB ID: ZNYQN

Calculation Name: 4B8J-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 4B8J

Chain ID: A

ChEMBL ID:

UniProt ID: Q71VM4

Base Structure: X-ray

Registration Date: 2023-09-26

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

DOI:

Apendix: None

IFIE MAP

IFIE Diagram

Modeling method

Optimization	MOE:Amber10:EHT
Restraint	OptAll
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	431
LigandResidueName
LigandFragmentNumber	0
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-7067751.204829
FMO2-HF: Nuclear repulsion	6901427.777377
FMO2-HF: Total energy	-166323.427451
FMO2-MP2: Total energy	-166808.146596

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:25:GLY)

Summations of interaction energy for fragment #1(A:25:GLY)

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.
-3.148	0.236	1.141	-1.948	-2.576	-0.012

Interaction energy analysis for fragmet #1(A:25:GLY)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.057 / q_NPA : 0.021

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	27	ARG	1	0.783	0.877	3.873	2.644	3.372	-0.004	-0.321	-0.403	0.001
4	A	28	ARG	1	0.897	0.944	6.291	-0.626	-0.626	0.000	0.000	0.000	0.000
5	A	29	ARG	1	0.769	0.864	9.489	0.330	0.330	0.000	0.000	0.000	0.000
6	A	47	LYS	1	0.796	0.892	35.064	-0.014	-0.014	0.000	0.000	0.000	0.000
7	A	48	LYS	1	0.890	0.938	36.857	-0.002	-0.002	0.000	0.000	0.000	0.000
8	A	49	ARG	1	0.736	0.822	32.900	0.020	0.020	0.000	0.000	0.000	0.000
9	A	50	ARG	1	0.911	0.954	36.576	0.004	0.004	0.000	0.000	0.000	0.000
10	A	73	SER	0	0.067	0.014	62.907	0.000	0.000	0.000	0.000	0.000	0.000
11	A	74	LEU	0	0.046	0.019	58.469	0.000	0.000	0.000	0.000	0.000	0.000
12	A	75	PRO	0	0.014	-0.007	62.076	0.000	0.000	0.000	0.000	0.000	0.000
13	A	76	ALA	0	0.018	0.020	64.997	0.000	0.000	0.000	0.000	0.000	0.000
14	A	77	MET	0	-0.030	0.010	58.014	0.000	0.000	0.000	0.000	0.000	0.000
15	A	78	ILE	0	0.030	0.008	60.400	0.000	0.000	0.000	0.000	0.000	0.000
16	A	79	GLY	0	0.015	0.011	62.375	0.001	0.001	0.000	0.000	0.000	0.000
17	A	80	GLY	0	0.011	0.001	64.708	0.000	0.000	0.000	0.000	0.000	0.000
18	A	81	VAL	0	-0.016	0.001	58.658	0.000	0.000	0.000	0.000	0.000	0.000
19	A	82	TYR	0	-0.031	-0.038	58.798	0.001	0.001	0.000	0.000	0.000	0.000
20	A	83	SER	0	-0.060	-0.009	63.925	0.000	0.000	0.000	0.000	0.000	0.000
21	A	84	ASP	-1	-0.814	-0.911	65.227	0.009	0.009	0.000	0.000	0.000	0.000
22	A	85	ASP	-1	-0.825	-0.894	67.233	0.004	0.004	0.000	0.000	0.000	0.000
23	A	86	ASN	0	0.053	0.026	64.789	0.000	0.000	0.000	0.000	0.000	0.000
24	A	87	ASN	0	-0.027	-0.020	64.141	0.000	0.000	0.000	0.000	0.000	0.000
25	A	88	LEU	0	0.022	0.007	64.789	0.000	0.000	0.000	0.000	0.000	0.000
26	A	89	GLN	0	-0.020	-0.011	61.681	0.000	0.000	0.000	0.000	0.000	0.000
27	A	90	LEU	0	0.009	0.022	58.911	0.000	0.000	0.000	0.000	0.000	0.000
28	A	91	GLU	-1	-0.931	-0.950	60.072	0.001	0.001	0.000	0.000	0.000	0.000
29	A	92	ALA	0	0.026	0.020	61.062	0.000	0.000	0.000	0.000	0.000	0.000
30	A	93	THR	0	-0.011	-0.028	55.544	0.000	0.000	0.000	0.000	0.000	0.000
31	A	94	THR	0	-0.048	-0.032	56.306	0.000	0.000	0.000	0.000	0.000	0.000
32	A	95	GLN	0	-0.077	-0.044	56.888	0.000	0.000	0.000	0.000	0.000	0.000
33	A	96	PHE	0	0.051	0.010	54.986	0.000	0.000	0.000	0.000	0.000	0.000
34	A	97	ARG	1	0.809	0.874	51.506	0.000	0.000	0.000	0.000	0.000	0.000
35	A	98	LYS	1	0.906	0.967	52.185	0.001	0.001	0.000	0.000	0.000	0.000
36	A	99	LEU	0	0.026	0.022	53.333	-0.001	-0.001	0.000	0.000	0.000	0.000
37	A	100	LEU	0	-0.030	-0.020	49.606	0.000	0.000	0.000	0.000	0.000	0.000
38	A	101	SER	0	-0.074	-0.064	48.698	0.000	0.000	0.000	0.000	0.000	0.000
39	A	102	ILE	0	-0.042	-0.001	49.248	-0.001	-0.001	0.000	0.000	0.000	0.000
40	A	103	GLU	-1	-0.927	-0.965	47.407	-0.011	-0.011	0.000	0.000	0.000	0.000
41	A	104	ARG	1	0.913	0.943	43.645	0.011	0.011	0.000	0.000	0.000	0.000
42	A	105	SER	0	-0.008	-0.007	46.596	0.000	0.000	0.000	0.000	0.000	0.000
43	A	106	PRO	0	0.052	0.037	46.732	0.000	0.000	0.000	0.000	0.000	0.000
44	A	107	PRO	0	0.053	0.051	49.155	0.001	0.001	0.000	0.000	0.000	0.000
45	A	108	ILE	0	-0.020	-0.023	45.722	0.001	0.001	0.000	0.000	0.000	0.000
46	A	109	GLU	-1	-0.810	-0.903	47.214	0.010	0.010	0.000	0.000	0.000	0.000
47	A	110	GLU	-1	-0.960	-0.961	50.974	0.004	0.004	0.000	0.000	0.000	0.000
48	A	111	VAL	0	-0.019	-0.010	52.358	0.000	0.000	0.000	0.000	0.000	0.000
49	A	112	ILE	0	-0.024	0.001	47.990	0.001	0.001	0.000	0.000	0.000	0.000
50	A	113	GLN	0	-0.044	-0.039	52.617	0.001	0.001	0.000	0.000	0.000	0.000
51	A	114	SER	0	-0.076	-0.041	55.528	0.000	0.000	0.000	0.000	0.000	0.000
52	A	115	GLY	0	0.045	0.026	56.250	0.000	0.000	0.000	0.000	0.000	0.000
53	A	116	VAL	0	-0.011	0.001	54.939	0.001	0.001	0.000	0.000	0.000	0.000
54	A	117	VAL	0	0.002	0.016	50.178	0.000	0.000	0.000	0.000	0.000	0.000
55	A	118	PRO	0	0.052	0.015	53.155	0.000	0.000	0.000	0.000	0.000	0.000
56	A	119	ARG	1	0.786	0.888	54.675	-0.009	-0.009	0.000	0.000	0.000	0.000
57	A	120	PHE	0	0.039	0.000	52.312	0.000	0.000	0.000	0.000	0.000	0.000
58	A	121	VAL	0	0.022	0.008	50.420	0.000	0.000	0.000	0.000	0.000	0.000
59	A	122	GLN	0	0.012	0.007	53.021	-0.001	-0.001	0.000	0.000	0.000	0.000
60	A	123	PHE	0	-0.001	0.006	55.772	0.000	0.000	0.000	0.000	0.000	0.000
61	A	124	LEU	0	-0.001	0.010	49.312	-0.001	-0.001	0.000	0.000	0.000	0.000
62	A	125	THR	0	-0.068	-0.043	53.342	0.000	0.000	0.000	0.000	0.000	0.000
63	A	126	ARG	1	0.791	0.869	55.500	-0.008	-0.008	0.000	0.000	0.000	0.000
64	A	127	GLU	-1	-0.820	-0.906	53.740	0.013	0.013	0.000	0.000	0.000	0.000
65	A	128	ASP	-1	-0.839	-0.875	57.370	0.008	0.008	0.000	0.000	0.000	0.000
66	A	129	PHE	0	-0.026	-0.016	59.484	-0.001	-0.001	0.000	0.000	0.000	0.000
67	A	130	PRO	0	0.072	0.023	55.615	0.000	0.000	0.000	0.000	0.000	0.000
68	A	131	GLN	0	-0.027	-0.014	55.278	0.000	0.000	0.000	0.000	0.000	0.000
69	A	132	LEU	0	0.028	0.019	56.147	0.000	0.000	0.000	0.000	0.000	0.000
70	A	133	GLN	0	-0.017	-0.006	52.969	0.000	0.000	0.000	0.000	0.000	0.000
71	A	134	PHE	0	0.006	-0.003	50.229	0.000	0.000	0.000	0.000	0.000	0.000
72	A	135	GLU	-1	-0.762	-0.850	51.500	0.001	0.001	0.000	0.000	0.000	0.000
73	A	136	ALA	0	0.019	0.010	52.653	0.000	0.000	0.000	0.000	0.000	0.000
74	A	137	ALA	0	0.031	0.015	48.187	0.001	0.001	0.000	0.000	0.000	0.000
75	A	138	TRP	0	-0.016	0.010	47.645	0.000	0.000	0.000	0.000	0.000	0.000
76	A	139	ALA	0	-0.027	-0.010	48.358	0.000	0.000	0.000	0.000	0.000	0.000
77	A	140	LEU	0	0.044	0.006	47.763	0.000	0.000	0.000	0.000	0.000	0.000
78	A	141	THR	0	-0.016	-0.018	42.922	0.001	0.001	0.000	0.000	0.000	0.000
79	A	142	ASN	0	-0.021	0.000	44.066	-0.001	-0.001	0.000	0.000	0.000	0.000
80	A	143	ILE	0	-0.003	0.025	45.305	0.000	0.000	0.000	0.000	0.000	0.000
81	A	144	ALA	0	0.022	0.002	41.886	0.001	0.001	0.000	0.000	0.000	0.000
82	A	145	SER	0	-0.093	-0.064	40.712	0.000	0.000	0.000	0.000	0.000	0.000
83	A	146	GLY	0	0.026	0.027	40.903	-0.002	-0.002	0.000	0.000	0.000	0.000
84	A	147	THR	0	0.027	-0.003	40.100	0.002	0.002	0.000	0.000	0.000	0.000
85	A	148	SER	0	0.037	0.003	37.157	0.000	0.000	0.000	0.000	0.000	0.000
86	A	149	GLU	-1	-0.844	-0.896	39.624	0.027	0.027	0.000	0.000	0.000	0.000
87	A	150	ASN	0	-0.007	-0.014	43.122	0.000	0.000	0.000	0.000	0.000	0.000
88	A	151	THR	0	0.002	-0.014	39.149	0.000	0.000	0.000	0.000	0.000	0.000
89	A	152	LYS	1	0.796	0.882	39.958	-0.028	-0.028	0.000	0.000	0.000	0.000
90	A	153	VAL	0	0.074	0.046	43.281	0.000	0.000	0.000	0.000	0.000	0.000
91	A	154	VAL	0	-0.016	0.001	44.644	0.000	0.000	0.000	0.000	0.000	0.000
92	A	155	ILE	0	-0.050	-0.033	40.004	0.001	0.001	0.000	0.000	0.000	0.000
93	A	156	ASP	-1	-0.902	-0.956	44.508	0.028	0.028	0.000	0.000	0.000	0.000
94	A	157	HIS	0	-0.090	-0.055	47.086	0.000	0.000	0.000	0.000	0.000	0.000
95	A	158	GLY	0	0.030	0.010	47.668	-0.001	-0.001	0.000	0.000	0.000	0.000
96	A	159	ALA	0	0.010	0.006	46.369	0.000	0.000	0.000	0.000	0.000	0.000
97	A	160	VAL	0	-0.002	0.006	41.009	-0.001	-0.001	0.000	0.000	0.000	0.000
98	A	161	PRO	0	0.054	0.021	44.128	-0.001	-0.001	0.000	0.000	0.000	0.000
99	A	162	ILE	0	-0.012	0.003	45.593	-0.001	-0.001	0.000	0.000	0.000	0.000
100	A	163	PHE	0	0.036	-0.003	44.421	-0.002	-0.002	0.000	0.000	0.000	0.000
101	A	164	VAL	0	-0.013	-0.009	41.769	-0.001	-0.001	0.000	0.000	0.000	0.000
102	A	165	LYS	1	0.812	0.896	44.427	-0.016	-0.016	0.000	0.000	0.000	0.000
103	A	166	LEU	0	-0.004	-0.002	47.718	-0.001	-0.001	0.000	0.000	0.000	0.000
104	A	167	LEU	0	-0.042	-0.016	41.433	-0.002	-0.002	0.000	0.000	0.000	0.000
105	A	168	GLY	0	0.011	0.004	45.578	0.000	0.000	0.000	0.000	0.000	0.000
106	A	169	SER	0	-0.020	-0.005	48.462	-0.001	-0.001	0.000	0.000	0.000	0.000
107	A	170	SER	0	0.024	0.002	50.599	-0.001	-0.001	0.000	0.000	0.000	0.000
108	A	171	SER	0	0.010	0.013	52.936	-0.001	-0.001	0.000	0.000	0.000	0.000
109	A	172	ASP	-1	-0.763	-0.895	49.037	0.002	0.002	0.000	0.000	0.000	0.000
110	A	173	ASP	-1	-0.883	-0.941	48.118	-0.001	-0.001	0.000	0.000	0.000	0.000
111	A	174	VAL	0	-0.054	-0.029	48.800	0.000	0.000	0.000	0.000	0.000	0.000
112	A	175	ARG	1	0.813	0.908	45.810	-0.005	-0.005	0.000	0.000	0.000	0.000
113	A	176	GLU	-1	-0.813	-0.900	43.789	-0.003	-0.003	0.000	0.000	0.000	0.000
114	A	177	GLN	0	0.000	0.010	43.983	0.000	0.000	0.000	0.000	0.000	0.000
115	A	178	ALA	0	0.009	0.015	44.666	0.001	0.001	0.000	0.000	0.000	0.000
116	A	179	VAL	0	0.007	-0.001	39.325	0.002	0.002	0.000	0.000	0.000	0.000
117	A	180	TRP	0	-0.031	0.002	39.845	0.002	0.002	0.000	0.000	0.000	0.000
118	A	181	ALA	0	0.006	0.015	40.520	0.000	0.000	0.000	0.000	0.000	0.000
119	A	182	LEU	0	0.003	-0.008	39.135	0.002	0.002	0.000	0.000	0.000	0.000
120	A	183	GLY	0	0.026	0.020	36.346	0.003	0.003	0.000	0.000	0.000	0.000
121	A	184	ASN	0	-0.039	-0.042	36.147	-0.001	-0.001	0.000	0.000	0.000	0.000
122	A	185	VAL	0	-0.003	0.004	37.646	0.001	0.001	0.000	0.000	0.000	0.000
123	A	186	ALA	0	-0.018	-0.018	33.684	0.003	0.003	0.000	0.000	0.000	0.000
124	A	187	GLY	0	0.001	-0.007	32.799	0.003	0.003	0.000	0.000	0.000	0.000
125	A	188	ASP	-1	-0.799	-0.872	33.214	0.023	0.023	0.000	0.000	0.000	0.000
126	A	189	SER	0	-0.013	-0.027	31.721	0.002	0.002	0.000	0.000	0.000	0.000
127	A	190	PRO	0	0.027	0.011	28.002	0.000	0.000	0.000	0.000	0.000	0.000
128	A	191	LYS	1	0.984	1.002	30.392	-0.044	-0.044	0.000	0.000	0.000	0.000
129	A	192	CYS	0	-0.044	-0.024	33.622	0.001	0.001	0.000	0.000	0.000	0.000
130	A	193	ARG	1	0.781	0.858	26.715	-0.067	-0.067	0.000	0.000	0.000	0.000
131	A	194	ASP	-1	-0.788	-0.876	30.159	0.071	0.071	0.000	0.000	0.000	0.000
132	A	195	LEU	0	-0.033	-0.005	33.266	0.001	0.001	0.000	0.000	0.000	0.000
133	A	196	VAL	0	0.002	0.007	36.260	-0.001	-0.001	0.000	0.000	0.000	0.000
134	A	197	LEU	0	-0.031	-0.016	31.091	-0.001	-0.001	0.000	0.000	0.000	0.000
135	A	198	ALA	0	-0.038	-0.015	35.511	0.001	0.001	0.000	0.000	0.000	0.000
136	A	199	ASN	0	-0.078	-0.052	37.480	-0.003	-0.003	0.000	0.000	0.000	0.000
137	A	200	GLY	0	0.036	0.018	38.565	-0.003	-0.003	0.000	0.000	0.000	0.000
138	A	201	ALA	0	0.008	-0.003	37.812	-0.002	-0.002	0.000	0.000	0.000	0.000
139	A	202	LEU	0	-0.010	0.000	32.196	-0.003	-0.003	0.000	0.000	0.000	0.000
140	A	203	LEU	0	0.026	0.013	35.908	-0.003	-0.003	0.000	0.000	0.000	0.000
141	A	204	PRO	0	0.009	0.005	38.485	-0.003	-0.003	0.000	0.000	0.000	0.000
142	A	205	LEU	0	-0.009	0.005	36.010	-0.003	-0.003	0.000	0.000	0.000	0.000
143	A	206	LEU	0	0.003	-0.014	33.940	-0.003	-0.003	0.000	0.000	0.000	0.000
144	A	207	ALA	0	-0.024	-0.009	38.306	-0.002	-0.002	0.000	0.000	0.000	0.000
145	A	208	GLN	0	-0.039	-0.019	41.322	-0.003	-0.003	0.000	0.000	0.000	0.000
146	A	209	LEU	0	-0.062	-0.017	37.644	-0.002	-0.002	0.000	0.000	0.000	0.000
147	A	210	ASN	0	-0.014	-0.012	40.663	0.000	0.000	0.000	0.000	0.000	0.000
148	A	211	GLU	-1	-0.842	-0.931	41.675	-0.002	-0.002	0.000	0.000	0.000	0.000
149	A	212	HIS	0	-0.056	-0.023	42.567	-0.003	-0.003	0.000	0.000	0.000	0.000
150	A	213	THR	0	-0.047	-0.014	42.178	0.000	0.000	0.000	0.000	0.000	0.000
151	A	214	LYS	1	0.907	0.976	43.544	0.001	0.001	0.000	0.000	0.000	0.000
152	A	215	LEU	0	0.063	0.012	39.400	0.001	0.001	0.000	0.000	0.000	0.000
153	A	216	SER	0	-0.033	-0.038	41.167	-0.001	-0.001	0.000	0.000	0.000	0.000
154	A	217	MET	0	0.061	0.074	41.585	0.001	0.001	0.000	0.000	0.000	0.000
155	A	218	LEU	0	0.011	0.014	38.360	0.001	0.001	0.000	0.000	0.000	0.000
156	A	219	ARG	1	0.766	0.871	37.127	0.023	0.023	0.000	0.000	0.000	0.000
157	A	220	ASN	0	-0.001	-0.017	36.850	0.001	0.001	0.000	0.000	0.000	0.000
158	A	221	ALA	0	0.042	0.019	37.499	0.002	0.002	0.000	0.000	0.000	0.000
159	A	222	THR	0	-0.018	-0.026	32.075	0.003	0.003	0.000	0.000	0.000	0.000
160	A	223	TRP	0	-0.011	0.009	32.607	0.003	0.003	0.000	0.000	0.000	0.000
161	A	224	THR	0	-0.035	-0.033	33.208	0.002	0.002	0.000	0.000	0.000	0.000
162	A	225	LEU	0	0.003	0.002	31.374	0.005	0.005	0.000	0.000	0.000	0.000
163	A	226	SER	0	0.002	-0.016	28.742	0.006	0.006	0.000	0.000	0.000	0.000
164	A	227	ASN	0	-0.058	-0.039	28.938	0.004	0.004	0.000	0.000	0.000	0.000
165	A	228	PHE	0	-0.013	-0.018	30.736	0.005	0.005	0.000	0.000	0.000	0.000
166	A	229	CYS	0	-0.030	-0.011	26.031	0.008	0.008	0.000	0.000	0.000	0.000
167	A	230	ARG	1	0.859	0.961	25.657	-0.002	-0.002	0.000	0.000	0.000	0.000
168	A	231	GLY	0	0.011	0.005	24.638	0.004	0.004	0.000	0.000	0.000	0.000
169	A	232	LYS	1	0.794	0.888	17.604	-0.100	-0.100	0.000	0.000	0.000	0.000
170	A	233	PRO	0	0.054	0.017	23.238	-0.005	-0.005	0.000	0.000	0.000	0.000
171	A	234	GLN	0	0.062	0.035	19.170	-0.014	-0.014	0.000	0.000	0.000	0.000
172	A	235	PRO	0	0.023	0.033	24.122	0.005	0.005	0.000	0.000	0.000	0.000
173	A	236	SER	0	-0.009	-0.008	25.656	0.013	0.013	0.000	0.000	0.000	0.000
174	A	237	PHE	0	0.076	0.038	22.368	-0.009	-0.009	0.000	0.000	0.000	0.000
175	A	238	GLU	-1	-0.799	-0.895	25.801	0.102	0.102	0.000	0.000	0.000	0.000
176	A	239	GLN	0	-0.061	-0.023	28.814	-0.009	-0.009	0.000	0.000	0.000	0.000
177	A	240	THR	0	-0.006	-0.028	27.217	-0.006	-0.006	0.000	0.000	0.000	0.000
178	A	241	ARG	1	0.887	0.937	24.492	-0.117	-0.117	0.000	0.000	0.000	0.000
179	A	242	PRO	0	0.002	-0.003	28.161	-0.006	-0.006	0.000	0.000	0.000	0.000
180	A	243	ALA	0	0.035	0.020	29.282	-0.006	-0.006	0.000	0.000	0.000	0.000
181	A	244	LEU	0	-0.009	0.016	24.120	-0.008	-0.008	0.000	0.000	0.000	0.000
182	A	245	PRO	0	0.042	0.009	27.976	-0.008	-0.008	0.000	0.000	0.000	0.000
183	A	246	ALA	0	-0.037	-0.006	30.599	-0.006	-0.006	0.000	0.000	0.000	0.000
184	A	247	LEU	0	0.011	-0.008	27.200	-0.006	-0.006	0.000	0.000	0.000	0.000
185	A	248	ALA	0	0.057	0.033	27.755	-0.008	-0.008	0.000	0.000	0.000	0.000
186	A	249	ARG	1	0.928	0.973	28.942	-0.012	-0.012	0.000	0.000	0.000	0.000
187	A	250	LEU	0	-0.007	-0.005	31.732	-0.004	-0.004	0.000	0.000	0.000	0.000
188	A	251	ILE	0	0.004	0.002	26.150	-0.004	-0.004	0.000	0.000	0.000	0.000
189	A	252	HIS	0	-0.026	-0.012	29.112	-0.011	-0.011	0.000	0.000	0.000	0.000
190	A	253	SER	0	-0.015	0.004	32.452	-0.001	-0.001	0.000	0.000	0.000	0.000
191	A	254	ASN	0	0.038	-0.003	33.556	-0.008	-0.008	0.000	0.000	0.000	0.000
192	A	255	ASP	-1	-0.775	-0.857	35.665	-0.029	-0.029	0.000	0.000	0.000	0.000
193	A	256	GLU	-1	-0.763	-0.873	33.298	-0.055	-0.055	0.000	0.000	0.000	0.000
194	A	257	GLU	-1	-0.847	-0.879	32.684	-0.025	-0.025	0.000	0.000	0.000	0.000
195	A	258	VAL	0	-0.002	-0.005	33.146	0.001	0.001	0.000	0.000	0.000	0.000
196	A	259	LEU	0	-0.007	0.009	29.864	0.001	0.001	0.000	0.000	0.000	0.000
197	A	260	THR	0	0.001	-0.009	28.737	-0.004	-0.004	0.000	0.000	0.000	0.000
198	A	261	ASP	-1	-0.795	-0.871	28.169	-0.018	-0.018	0.000	0.000	0.000	0.000
199	A	262	ALA	0	0.042	0.024	28.881	0.006	0.006	0.000	0.000	0.000	0.000
200	A	263	CYS	0	-0.002	0.000	24.651	0.003	0.003	0.000	0.000	0.000	0.000
201	A	264	TRP	0	-0.022	-0.006	22.276	-0.002	-0.002	0.000	0.000	0.000	0.000
202	A	265	ALA	0	0.017	0.022	24.279	0.007	0.007	0.000	0.000	0.000	0.000
203	A	266	LEU	0	0.024	0.008	22.887	0.012	0.012	0.000	0.000	0.000	0.000
204	A	267	SER	0	-0.044	-0.007	20.163	0.008	0.008	0.000	0.000	0.000	0.000
205	A	268	TYR	0	0.036	-0.005	19.744	0.012	0.012	0.000	0.000	0.000	0.000
206	A	269	LEU	0	-0.015	-0.009	21.276	0.024	0.024	0.000	0.000	0.000	0.000
207	A	270	SER	0	0.023	-0.004	17.262	0.011	0.011	0.000	0.000	0.000	0.000
208	A	271	ASP	-1	-0.876	-0.913	16.030	0.115	0.115	0.000	0.000	0.000	0.000
209	A	272	GLY	0	-0.001	-0.005	15.377	0.004	0.004	0.000	0.000	0.000	0.000
210	A	273	THR	0	-0.030	-0.037	13.702	0.027	0.027	0.000	0.000	0.000	0.000
211	A	274	ASN	0	0.056	0.009	10.664	0.018	0.018	0.000	0.000	0.000	0.000
212	A	275	ASP	-1	-0.821	-0.870	14.469	0.231	0.231	0.000	0.000	0.000	0.000
213	A	276	LYS	1	0.802	0.886	17.925	-0.162	-0.162	0.000	0.000	0.000	0.000
214	A	277	ILE	0	-0.014	0.000	13.101	-0.031	-0.031	0.000	0.000	0.000	0.000
215	A	278	GLN	0	-0.032	-0.013	17.096	-0.019	-0.019	0.000	0.000	0.000	0.000
216	A	279	ALA	0	0.013	0.006	18.789	-0.024	-0.024	0.000	0.000	0.000	0.000
217	A	280	VAL	0	-0.030	-0.017	19.544	-0.018	-0.018	0.000	0.000	0.000	0.000
218	A	281	ILE	0	-0.003	-0.008	16.102	-0.019	-0.019	0.000	0.000	0.000	0.000
219	A	282	GLU	-1	-0.903	-0.940	20.728	0.082	0.082	0.000	0.000	0.000	0.000
220	A	283	ALA	0	-0.071	-0.024	23.793	-0.005	-0.005	0.000	0.000	0.000	0.000
221	A	284	GLY	0	0.002	-0.005	24.401	-0.007	-0.007	0.000	0.000	0.000	0.000
222	A	285	VAL	0	-0.037	-0.027	21.980	-0.011	-0.011	0.000	0.000	0.000	0.000
223	A	286	CYS	0	-0.016	0.001	19.242	-0.007	-0.007	0.000	0.000	0.000	0.000
224	A	287	PRO	0	0.063	0.037	21.807	-0.016	-0.016	0.000	0.000	0.000	0.000
225	A	288	ARG	1	0.851	0.911	24.369	0.042	0.042	0.000	0.000	0.000	0.000
226	A	289	LEU	0	-0.027	-0.029	20.386	-0.004	-0.004	0.000	0.000	0.000	0.000
227	A	290	VAL	0	-0.003	0.000	20.050	-0.015	-0.015	0.000	0.000	0.000	0.000
228	A	291	GLU	-1	-0.854	-0.918	22.665	-0.069	-0.069	0.000	0.000	0.000	0.000
229	A	292	LEU	0	-0.046	-0.022	25.323	-0.001	-0.001	0.000	0.000	0.000	0.000
230	A	293	LEU	0	-0.043	-0.017	19.284	-0.006	-0.006	0.000	0.000	0.000	0.000
231	A	294	LEU	0	-0.026	-0.016	23.432	-0.010	-0.010	0.000	0.000	0.000	0.000
232	A	295	HIS	0	0.006	0.017	26.708	0.005	0.005	0.000	0.000	0.000	0.000
233	A	296	PRO	0	-0.001	-0.006	28.185	-0.006	-0.006	0.000	0.000	0.000	0.000
234	A	297	SER	0	-0.033	-0.034	30.527	-0.001	-0.001	0.000	0.000	0.000	0.000
235	A	298	PRO	0	-0.018	-0.032	27.048	-0.003	-0.003	0.000	0.000	0.000	0.000
236	A	299	SER	0	-0.018	-0.007	26.713	-0.004	-0.004	0.000	0.000	0.000	0.000
237	A	300	VAL	0	0.023	0.018	27.524	0.004	0.004	0.000	0.000	0.000	0.000
238	A	301	LEU	0	0.032	0.027	23.118	-0.003	-0.003	0.000	0.000	0.000	0.000
239	A	302	ILE	0	-0.037	-0.018	21.944	-0.014	-0.014	0.000	0.000	0.000	0.000
240	A	303	PRO	0	0.006	0.007	21.289	-0.012	-0.012	0.000	0.000	0.000	0.000
241	A	304	ALA	0	0.045	0.037	21.556	0.004	0.004	0.000	0.000	0.000	0.000
242	A	305	LEU	0	0.010	-0.002	17.022	-0.005	-0.005	0.000	0.000	0.000	0.000
243	A	306	ARG	1	0.823	0.909	16.292	0.103	0.103	0.000	0.000	0.000	0.000
244	A	307	THR	0	-0.027	-0.027	16.727	0.010	0.010	0.000	0.000	0.000	0.000
245	A	308	VAL	0	0.005	0.000	15.777	0.012	0.012	0.000	0.000	0.000	0.000
246	A	309	GLY	0	0.028	0.010	13.315	-0.019	-0.019	0.000	0.000	0.000	0.000
247	A	310	ASN	0	-0.002	-0.011	12.130	-0.048	-0.048	0.000	0.000	0.000	0.000
248	A	311	ILE	0	-0.002	0.025	12.825	0.057	0.057	0.000	0.000	0.000	0.000
249	A	312	VAL	0	0.007	0.004	10.209	0.062	0.062	0.000	0.000	0.000	0.000
250	A	313	THR	0	-0.089	-0.059	8.268	-0.043	-0.043	0.000	0.000	0.000	0.000
251	A	314	GLY	0	0.006	0.012	8.530	0.350	0.350	0.000	0.000	0.000	0.000
252	A	315	ASP	-1	-0.818	-0.901	8.175	0.408	0.408	0.000	0.000	0.000	0.000
253	A	316	ASP	-1	-0.695	-0.834	7.930	-0.337	-0.337	0.000	0.000	0.000	0.000
254	A	317	ALA	0	0.010	0.020	10.348	-0.078	-0.078	0.000	0.000	0.000	0.000
255	A	318	GLN	0	-0.029	-0.050	12.512	-0.002	-0.002	0.000	0.000	0.000	0.000
256	A	319	THR	0	-0.003	-0.010	9.559	-0.079	-0.079	0.000	0.000	0.000	0.000
257	A	320	GLN	0	-0.003	-0.013	12.127	-0.073	-0.073	0.000	0.000	0.000	0.000
258	A	321	CYS	0	-0.016	-0.003	14.762	-0.003	-0.003	0.000	0.000	0.000	0.000
259	A	322	ILE	0	-0.027	-0.003	14.848	0.005	0.005	0.000	0.000	0.000	0.000
260	A	323	ILE	0	-0.033	-0.021	12.331	-0.012	-0.012	0.000	0.000	0.000	0.000
261	A	324	ASP	-1	-0.849	-0.915	16.769	-0.109	-0.109	0.000	0.000	0.000	0.000
262	A	325	HIS	0	-0.063	-0.029	19.869	0.023	0.023	0.000	0.000	0.000	0.000
263	A	326	GLN	0	-0.018	-0.018	20.768	0.007	0.007	0.000	0.000	0.000	0.000
264	A	327	ALA	0	0.068	0.036	17.340	-0.006	-0.006	0.000	0.000	0.000	0.000
265	A	328	LEU	0	-0.005	0.008	13.834	-0.009	-0.009	0.000	0.000	0.000	0.000
266	A	329	PRO	0	0.058	0.014	17.919	-0.008	-0.008	0.000	0.000	0.000	0.000
267	A	330	CYS	0	-0.022	0.008	21.187	0.011	0.011	0.000	0.000	0.000	0.000
268	A	331	LEU	0	0.011	0.009	15.015	0.005	0.005	0.000	0.000	0.000	0.000
269	A	332	LEU	0	0.030	0.020	18.921	-0.003	-0.003	0.000	0.000	0.000	0.000
270	A	333	SER	0	-0.032	-0.018	20.134	0.018	0.018	0.000	0.000	0.000	0.000
271	A	334	LEU	0	0.009	0.002	19.649	0.010	0.010	0.000	0.000	0.000	0.000
272	A	335	LEU	0	-0.011	-0.013	16.242	0.010	0.010	0.000	0.000	0.000	0.000
273	A	336	THR	0	-0.039	-0.018	20.705	0.015	0.015	0.000	0.000	0.000	0.000
274	A	337	GLN	0	0.043	0.030	24.166	0.015	0.015	0.000	0.000	0.000	0.000
275	A	338	ASN	0	-0.026	-0.012	25.686	-0.016	-0.016	0.000	0.000	0.000	0.000
276	A	339	LEU	0	0.011	0.015	23.672	0.010	0.010	0.000	0.000	0.000	0.000
277	A	340	LYS	1	0.954	0.966	24.903	0.094	0.094	0.000	0.000	0.000	0.000
278	A	341	LYN	0	0.101	0.048	22.151	-0.014	-0.014	0.000	0.000	0.000	0.000
279	A	342	SER	0	0.042	0.006	20.324	-0.016	-0.016	0.000	0.000	0.000	0.000
280	A	343	ILE	0	-0.006	0.001	19.380	-0.014	-0.014	0.000	0.000	0.000	0.000
281	A	344	LYS	1	0.845	0.921	18.840	0.163	0.163	0.000	0.000	0.000	0.000
282	A	345	LYS	1	0.859	0.949	15.073	0.226	0.226	0.000	0.000	0.000	0.000
283	A	346	GLU	-1	-0.758	-0.862	14.552	-0.305	-0.305	0.000	0.000	0.000	0.000
284	A	347	ALA	0	0.034	0.031	14.448	-0.047	-0.047	0.000	0.000	0.000	0.000
285	A	348	CYS	0	-0.009	-0.002	12.861	-0.045	-0.045	0.000	0.000	0.000	0.000
286	A	349	TRP	0	-0.068	-0.027	9.178	-0.109	-0.109	0.000	0.000	0.000	0.000
287	A	350	THR	0	0.008	0.007	9.564	-0.180	-0.180	0.000	0.000	0.000	0.000
288	A	351	ILE	0	0.026	0.002	10.525	-0.086	-0.086	0.000	0.000	0.000	0.000
289	A	352	SER	0	-0.028	-0.018	6.729	-0.162	-0.162	0.000	0.000	0.000	0.000
290	A	353	ASN	0	0.037	0.026	5.604	-1.319	-1.319	0.000	0.000	0.000	0.000
291	A	354	ILE	0	0.011	0.007	6.688	0.124	0.124	0.000	0.000	0.000	0.000
292	A	355	THR	0	-0.051	-0.057	7.382	-0.059	-0.059	0.000	0.000	0.000	0.000
293	A	356	ALA	0	-0.039	-0.004	2.454	-0.632	-0.212	0.339	-0.173	-0.586	0.000
294	A	357	GLY	0	0.010	0.011	3.752	-0.366	0.038	0.002	-0.204	-0.202	-0.001
295	A	358	ASN	0	-0.050	-0.040	6.588	-0.135	-0.135	0.000	0.000	0.000	0.000
296	A	359	LYS	1	0.897	0.927	9.393	0.342	0.342	0.000	0.000	0.000	0.000
297	A	360	ASP	-1	-0.867	-0.916	11.962	-0.227	-0.227	0.000	0.000	0.000	0.000
298	A	361	GLN	0	-0.063	-0.059	9.790	-0.056	-0.056	0.000	0.000	0.000	0.000
299	A	362	ILE	0	-0.008	0.006	7.836	-0.002	-0.002	0.000	0.000	0.000	0.000
300	A	363	GLN	0	0.002	0.002	11.686	0.021	0.021	0.000	0.000	0.000	0.000
301	A	364	ALA	0	-0.011	0.002	14.737	0.034	0.034	0.000	0.000	0.000	0.000
302	A	365	VAL	0	-0.030	-0.024	11.564	0.028	0.028	0.000	0.000	0.000	0.000
303	A	366	ILE	0	-0.017	-0.007	14.823	0.030	0.030	0.000	0.000	0.000	0.000
304	A	367	ASN	0	0.007	0.002	16.980	0.023	0.023	0.000	0.000	0.000	0.000
305	A	368	ALA	0	-0.050	-0.014	17.977	0.027	0.027	0.000	0.000	0.000	0.000
306	A	369	GLY	0	0.020	0.012	19.821	0.014	0.014	0.000	0.000	0.000	0.000
307	A	370	ILE	0	-0.051	-0.032	14.756	0.005	0.005	0.000	0.000	0.000	0.000
308	A	371	ILE	0	0.002	0.015	14.103	-0.014	-0.014	0.000	0.000	0.000	0.000
309	A	372	GLY	0	0.124	0.079	16.929	-0.007	-0.007	0.000	0.000	0.000	0.000
310	A	373	PRO	0	-0.050	-0.036	19.544	0.007	0.007	0.000	0.000	0.000	0.000
311	A	374	LEU	0	-0.005	0.000	12.048	0.004	0.004	0.000	0.000	0.000	0.000
312	A	375	VAL	0	0.030	0.017	16.175	-0.016	-0.016	0.000	0.000	0.000	0.000
313	A	376	ASN	0	0.022	0.012	17.546	0.030	0.030	0.000	0.000	0.000	0.000
314	A	377	LEU	0	-0.073	-0.025	17.506	0.019	0.019	0.000	0.000	0.000	0.000
315	A	378	LEU	0	0.016	0.003	13.631	0.015	0.015	0.000	0.000	0.000	0.000
316	A	379	GLN	0	0.008	0.006	17.083	0.012	0.012	0.000	0.000	0.000	0.000
317	A	380	THR	0	-0.069	-0.065	20.613	0.021	0.021	0.000	0.000	0.000	0.000
318	A	381	ALA	0	-0.056	-0.014	19.438	0.016	0.016	0.000	0.000	0.000	0.000
319	A	382	GLU	-1	-0.831	-0.927	20.705	-0.172	-0.172	0.000	0.000	0.000	0.000
320	A	383	PHE	0	0.055	0.020	17.113	-0.025	-0.025	0.000	0.000	0.000	0.000
321	A	384	ASP	-1	-0.829	-0.948	16.907	-0.232	-0.232	0.000	0.000	0.000	0.000
322	A	385	ILE	0	-0.047	-0.031	15.511	-0.043	-0.043	0.000	0.000	0.000	0.000
323	A	386	LYS	1	0.808	0.924	14.685	0.139	0.139	0.000	0.000	0.000	0.000
324	A	387	LYS	1	0.890	0.965	12.903	0.151	0.151	0.000	0.000	0.000	0.000
325	A	388	GLU	-1	-0.749	-0.845	10.475	-0.626	-0.626	0.000	0.000	0.000	0.000
326	A	389	ALA	0	0.012	0.000	9.877	-0.180	-0.180	0.000	0.000	0.000	0.000
327	A	390	ALA	0	0.043	0.024	10.833	-0.065	-0.065	0.000	0.000	0.000	0.000
328	A	391	TRP	0	-0.025	-0.014	3.795	-0.260	-0.123	0.002	-0.034	-0.104	0.000
329	A	392	ALA	0	-0.030	-0.009	6.179	-0.342	-0.342	0.000	0.000	0.000	0.000
330	A	393	ILE	0	0.030	0.026	8.296	-0.078	-0.078	0.000	0.000	0.000	0.000
331	A	394	SER	0	-0.003	-0.010	7.018	-0.024	-0.024	0.000	0.000	0.000	0.000
332	A	395	ASN	0	-0.021	-0.023	2.726	-1.387	0.273	0.803	-1.214	-1.249	-0.012
333	A	396	ALA	0	0.025	0.020	4.977	0.055	0.090	-0.001	-0.002	-0.032	0.000
334	A	397	THR	0	-0.060	-0.048	8.434	0.183	0.183	0.000	0.000	0.000	0.000
335	A	398	SER	0	-0.031	-0.002	5.295	0.136	0.136	0.000	0.000	0.000	0.000
336	A	399	GLY	0	0.042	0.026	6.950	0.091	0.091	0.000	0.000	0.000	0.000
337	A	400	GLY	0	0.040	0.032	7.532	0.212	0.212	0.000	0.000	0.000	0.000
338	A	401	SER	0	-0.072	-0.051	11.141	0.051	0.051	0.000	0.000	0.000	0.000
339	A	402	HIS	0	0.034	-0.002	14.637	-0.040	-0.040	0.000	0.000	0.000	0.000
340	A	403	ASP	-1	-0.819	-0.920	17.311	-0.184	-0.184	0.000	0.000	0.000	0.000
341	A	404	GLN	0	-0.051	-0.031	13.615	-0.035	-0.035	0.000	0.000	0.000	0.000
342	A	405	ILE	0	0.009	0.013	12.283	-0.017	-0.017	0.000	0.000	0.000	0.000
343	A	406	LYS	1	0.798	0.888	15.287	0.169	0.169	0.000	0.000	0.000	0.000
344	A	407	TYR	0	-0.068	-0.036	17.351	0.003	0.003	0.000	0.000	0.000	0.000
345	A	408	LEU	0	0.038	0.008	12.034	0.003	0.003	0.000	0.000	0.000	0.000
346	A	409	VAL	0	0.012	0.005	16.460	0.005	0.005	0.000	0.000	0.000	0.000
347	A	410	SER	0	-0.094	-0.043	18.822	0.021	0.021	0.000	0.000	0.000	0.000
348	A	411	GLU	-1	-0.847	-0.922	18.517	-0.232	-0.232	0.000	0.000	0.000	0.000
349	A	412	GLY	0	0.008	0.005	20.458	-0.002	-0.002	0.000	0.000	0.000	0.000
350	A	413	CYS	0	-0.108	-0.061	15.160	0.002	0.002	0.000	0.000	0.000	0.000
351	A	414	ILE	0	0.071	0.037	16.914	-0.012	-0.012	0.000	0.000	0.000	0.000
352	A	415	LYS	1	0.825	0.901	18.638	0.137	0.137	0.000	0.000	0.000	0.000
353	A	416	PRO	0	-0.004	0.002	17.545	0.004	0.004	0.000	0.000	0.000	0.000
354	A	417	LEU	0	-0.035	-0.020	12.238	-0.016	-0.016	0.000	0.000	0.000	0.000
355	A	418	CYS	0	-0.007	-0.004	15.994	0.016	0.016	0.000	0.000	0.000	0.000
356	A	419	ASP	-1	-0.782	-0.871	19.149	-0.141	-0.141	0.000	0.000	0.000	0.000
357	A	420	LEU	0	-0.026	-0.031	14.650	0.010	0.010	0.000	0.000	0.000	0.000
358	A	421	LEU	0	-0.015	0.009	16.187	0.005	0.005	0.000	0.000	0.000	0.000
359	A	422	ILE	0	0.025	0.020	18.351	0.019	0.019	0.000	0.000	0.000	0.000
360	A	423	CYS	0	-0.115	-0.037	16.989	0.003	0.003	0.000	0.000	0.000	0.000
361	A	424	PRO	0	0.022	-0.005	19.198	0.007	0.007	0.000	0.000	0.000	0.000
362	A	425	ASP	-1	-0.901	-0.958	13.918	-0.139	-0.139	0.000	0.000	0.000	0.000
363	A	426	ILE	0	0.102	0.039	13.956	-0.025	-0.025	0.000	0.000	0.000	0.000
364	A	427	ARG	1	0.945	0.981	8.462	-0.014	-0.014	0.000	0.000	0.000	0.000
365	A	428	ILE	0	-0.005	-0.001	10.357	-0.044	-0.044	0.000	0.000	0.000	0.000
366	A	429	VAL	0	0.043	0.042	12.175	-0.037	-0.037	0.000	0.000	0.000	0.000
367	A	430	THR	0	0.016	-0.004	10.446	-0.004	-0.004	0.000	0.000	0.000	0.000
368	A	431	VAL	0	-0.016	-0.008	6.948	-0.020	-0.020	0.000	0.000	0.000	0.000
369	A	432	CYS	0	-0.046	-0.018	9.427	-0.091	-0.091	0.000	0.000	0.000	0.000
370	A	433	LEU	0	0.033	0.022	12.253	-0.011	-0.011	0.000	0.000	0.000	0.000
371	A	434	GLU	-1	-0.881	-0.937	7.810	-0.043	-0.043	0.000	0.000	0.000	0.000
372	A	435	GLY	0	0.015	0.016	10.629	-0.027	-0.027	0.000	0.000	0.000	0.000
373	A	436	LEU	0	0.007	-0.008	11.243	0.015	0.015	0.000	0.000	0.000	0.000
374	A	437	GLU	-1	-0.768	-0.855	13.054	-0.073	-0.073	0.000	0.000	0.000	0.000
375	A	438	ASN	0	-0.024	-0.018	9.083	0.101	0.101	0.000	0.000	0.000	0.000
376	A	439	ILE	0	0.006	0.002	13.367	0.018	0.018	0.000	0.000	0.000	0.000
377	A	440	LEU	0	0.008	0.021	16.000	0.021	0.021	0.000	0.000	0.000	0.000
378	A	441	LYS	1	0.832	0.913	12.456	0.207	0.207	0.000	0.000	0.000	0.000
379	A	442	VAL	0	0.006	0.019	15.922	0.017	0.017	0.000	0.000	0.000	0.000
380	A	443	GLY	0	0.033	0.013	18.576	0.015	0.015	0.000	0.000	0.000	0.000
381	A	444	GLU	-1	-0.776	-0.881	21.218	-0.071	-0.071	0.000	0.000	0.000	0.000
382	A	445	THR	0	-0.061	-0.020	20.083	0.016	0.016	0.000	0.000	0.000	0.000
383	A	446	ASP	-1	-0.781	-0.889	22.567	-0.135	-0.135	0.000	0.000	0.000	0.000
384	A	447	LYS	1	0.825	0.923	24.618	0.080	0.080	0.000	0.000	0.000	0.000
385	A	448	THR	0	-0.050	-0.039	25.303	0.011	0.011	0.000	0.000	0.000	0.000
386	A	449	LEU	0	-0.065	-0.037	23.997	0.008	0.008	0.000	0.000	0.000	0.000
387	A	450	ALA	0	-0.047	-0.016	27.945	0.005	0.005	0.000	0.000	0.000	0.000
388	A	451	ALA	0	-0.066	-0.030	30.435	0.004	0.004	0.000	0.000	0.000	0.000
389	A	452	GLY	0	-0.015	0.003	30.641	0.004	0.004	0.000	0.000	0.000	0.000
390	A	453	ASP	-1	-0.898	-0.959	31.136	-0.063	-0.063	0.000	0.000	0.000	0.000
391	A	454	VAL	0	-0.028	-0.013	28.789	0.001	0.001	0.000	0.000	0.000	0.000
392	A	455	ASN	0	-0.017	-0.004	21.796	-0.013	-0.013	0.000	0.000	0.000	0.000
393	A	456	VAL	0	0.066	0.033	25.352	-0.003	-0.003	0.000	0.000	0.000	0.000
394	A	457	PHE	0	0.008	-0.018	19.345	-0.006	-0.006	0.000	0.000	0.000	0.000
395	A	458	SER	0	-0.022	-0.024	22.146	-0.003	-0.003	0.000	0.000	0.000	0.000
396	A	459	GLN	0	0.027	0.011	23.593	0.002	0.002	0.000	0.000	0.000	0.000
397	A	460	MET	0	0.011	0.014	22.910	-0.006	-0.006	0.000	0.000	0.000	0.000
398	A	461	ILE	0	-0.009	-0.013	18.577	-0.007	-0.007	0.000	0.000	0.000	0.000
399	A	462	ASP	-1	-0.930	-0.963	22.519	-0.082	-0.082	0.000	0.000	0.000	0.000
400	A	463	GLU	-1	-0.922	-0.971	26.032	-0.105	-0.105	0.000	0.000	0.000	0.000
401	A	464	ALA	0	-0.074	-0.030	22.793	0.001	0.001	0.000	0.000	0.000	0.000
402	A	465	GLU	-1	-0.838	-0.901	24.567	-0.112	-0.112	0.000	0.000	0.000	0.000
403	A	466	GLY	0	0.025	-0.008	21.942	0.000	0.000	0.000	0.000	0.000	0.000
404	A	467	LEU	0	-0.011	0.013	22.538	0.002	0.002	0.000	0.000	0.000	0.000
405	A	468	GLU	-1	-0.788	-0.879	24.513	-0.078	-0.078	0.000	0.000	0.000	0.000
406	A	469	LYS	1	0.741	0.865	21.980	0.112	0.112	0.000	0.000	0.000	0.000
407	A	470	ILE	0	-0.006	-0.016	19.342	0.003	0.003	0.000	0.000	0.000	0.000
408	A	471	GLU	-1	-0.908	-0.963	21.824	-0.047	-0.047	0.000	0.000	0.000	0.000
409	A	472	ASN	0	-0.055	-0.046	25.305	0.014	0.014	0.000	0.000	0.000	0.000
410	A	473	LEU	0	-0.041	-0.009	18.259	0.007	0.007	0.000	0.000	0.000	0.000
411	A	474	GLN	0	-0.042	-0.030	22.073	0.013	0.013	0.000	0.000	0.000	0.000
412	A	475	SER	0	-0.046	-0.031	24.385	0.009	0.009	0.000	0.000	0.000	0.000
413	A	476	HIS	0	-0.007	0.004	19.670	0.008	0.008	0.000	0.000	0.000	0.000
414	A	477	ASP	-1	-0.920	-0.960	22.714	0.002	0.002	0.000	0.000	0.000	0.000
415	A	478	ASN	0	-0.101	-0.059	16.446	0.002	0.002	0.000	0.000	0.000	0.000
416	A	479	ASN	0	0.000	-0.014	19.386	-0.012	-0.012	0.000	0.000	0.000	0.000
417	A	480	GLU	-1	-0.869	-0.922	13.646	0.114	0.114	0.000	0.000	0.000	0.000
418	A	481	ILE	0	-0.052	-0.029	15.399	-0.020	-0.020	0.000	0.000	0.000	0.000
419	A	482	TYR	0	-0.001	0.020	16.872	-0.011	-0.011	0.000	0.000	0.000	0.000
420	A	483	GLU	-1	-0.881	-0.942	18.306	0.063	0.063	0.000	0.000	0.000	0.000
421	A	484	LYS	1	0.759	0.868	11.582	0.053	0.053	0.000	0.000	0.000	0.000
422	A	485	ALA	0	0.008	-0.002	17.146	-0.016	-0.016	0.000	0.000	0.000	0.000
423	A	486	VAL	0	0.019	0.014	19.848	-0.007	-0.007	0.000	0.000	0.000	0.000
424	A	487	LYS	1	0.889	0.946	15.473	0.038	0.038	0.000	0.000	0.000	0.000
425	A	488	ILE	0	-0.047	-0.027	15.792	-0.009	-0.009	0.000	0.000	0.000	0.000
426	A	489	LEU	0	0.013	0.010	20.133	-0.006	-0.006	0.000	0.000	0.000	0.000
427	A	490	GLU	-1	-0.945	-0.989	23.665	-0.007	-0.007	0.000	0.000	0.000	0.000
428	A	491	ALA	0	-0.070	-0.030	21.150	0.002	0.002	0.000	0.000	0.000	0.000
429	A	492	TYR	0	-0.058	-0.044	18.688	-0.009	-0.009	0.000	0.000	0.000	0.000
430	A	493	TRP	0	-0.008	-0.007	21.224	-0.008	-0.008	0.000	0.000	0.000	0.000
431	A	494	MET	0	-0.049	0.007	26.918	0.005	0.005	0.000	0.000	0.000	0.000

Top

Graph

Overview

Highlights

Data Search

Manual

Support

Interactive mode: IFIE and PIEDA for fragment #1(A:25:GLY)