FMO DATABASE

FMODB ID: ZYQ3N

Calculation Name: 5HIU-A-Xray372

Preferred Name:
Warning: Undefined array key "pref_name" in /home/FMODBwui_src/fmodbwui/detail.php on line 446

Target Type:
Warning: Undefined array key "target_type" in /home/FMODBwui_src/fmodbwui/detail.php on line 447

Ligand Name:
Warning: Undefined variable $Ligand in /home/FMODBwui_src/fmodbwui/detail.php on line 448

Warning: Trying to access array offset on value of type null in /home/FMODBwui_src/fmodbwui/detail.php on line 448

Warning: Trying to access array offset on value of type null in /home/FMODBwui_src/fmodbwui/detail.php on line 448

ligand 3-letter code:
Warning: Undefined variable $Ligand in /home/FMODBwui_src/fmodbwui/detail.php on line 449

Warning: Trying to access array offset on value of type null in /home/FMODBwui_src/fmodbwui/detail.php on line 449

Warning: Trying to access array offset on value of type null in /home/FMODBwui_src/fmodbwui/detail.php on line 449

PDB ID: 5HIU

Chain ID: A

ChEMBL ID:
Warning: Undefined array key "chembl_id" in /home/FMODBwui_src/fmodbwui/detail.php on line 452

Warning: Undefined array key "chembl_id" in /home/FMODBwui_src/fmodbwui/detail.php on line 452

UniProt ID: G0SFF5

Base Structure: X-ray

Registration Date: 2023-06-20

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

DOI:

IFIE MAP

IFIE Diagram

Modeling method

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

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	416
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-6800140.603459
FMO2-HF: Nuclear repulsion	6635743.39951
FMO2-HF: Total energy	-164397.203949
FMO2-MP2: Total energy	-164878.875739

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:88:SER)

Summations of interaction energy for fragment #1(A:88:SER)

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.
-17.309	-12.365	11.476	-6.564	-9.855	-0.028

Interaction energy analysis for fragmet #1(A:88:SER)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.030 / q_NPA : 0.011

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	90	GLU	-1	-0.903	-0.946	2.763	-3.655	-1.281	0.136	-0.981	-1.529	-0.001
4	A	91	GLN	0	0.009	-0.025	2.076	-8.262	-9.387	10.125	-3.516	-5.485	0.001
5	A	92	ALA	0	-0.030	-0.008	3.705	0.319	0.706	0.005	-0.116	-0.276	0.000
6	A	93	ASP	-1	-0.801	-0.886	5.962	-0.361	-0.235	-0.001	-0.004	-0.120	0.000
7	A	94	LEU	0	-0.013	-0.007	6.235	0.189	0.189	0.000	0.000	0.000	0.000
8	A	95	VAL	0	0.058	0.024	7.452	-0.024	-0.024	0.000	0.000	0.000	0.000
9	A	96	ALA	0	0.010	0.013	9.620	-0.047	-0.047	0.000	0.000	0.000	0.000
10	A	97	LYS	1	0.830	0.900	11.560	0.284	0.284	0.000	0.000	0.000	0.000
11	A	98	LEU	0	-0.013	-0.003	11.637	-0.004	-0.004	0.000	0.000	0.000	0.000
12	A	99	LYS	1	0.886	0.963	12.198	-0.432	-0.432	0.000	0.000	0.000	0.000
13	A	100	ASN	0	-0.034	-0.033	15.447	0.010	0.010	0.000	0.000	0.000	0.000
14	A	101	GLY	0	-0.001	0.021	16.493	-0.020	-0.020	0.000	0.000	0.000	0.000
15	A	102	HIS	0	0.034	-0.001	17.898	0.025	0.025	0.000	0.000	0.000	0.000
16	A	103	LEU	0	0.045	0.027	19.880	-0.008	-0.008	0.000	0.000	0.000	0.000
17	A	104	SER	0	0.012	-0.007	20.068	0.004	0.004	0.000	0.000	0.000	0.000
18	A	105	GLU	-1	-0.911	-0.958	16.822	-0.101	-0.101	0.000	0.000	0.000	0.000
19	A	106	ARG	1	0.783	0.848	15.729	-0.119	-0.119	0.000	0.000	0.000	0.000
20	A	107	VAL	0	0.015	0.017	15.635	0.008	0.008	0.000	0.000	0.000	0.000
21	A	108	LEU	0	-0.005	0.004	14.665	-0.015	-0.015	0.000	0.000	0.000	0.000
22	A	109	ALA	0	-0.002	-0.002	11.713	-0.052	-0.052	0.000	0.000	0.000	0.000
23	A	110	ALA	0	0.034	0.015	11.356	-0.004	-0.004	0.000	0.000	0.000	0.000
24	A	111	ASN	0	-0.050	-0.035	12.859	-0.002	-0.002	0.000	0.000	0.000	0.000
25	A	112	LYS	1	0.947	0.984	9.650	0.347	0.347	0.000	0.000	0.000	0.000
26	A	113	LEU	0	0.037	0.014	6.441	-0.121	-0.121	0.000	0.000	0.000	0.000
27	A	114	ARG	1	0.892	0.970	8.882	0.081	0.081	0.000	0.000	0.000	0.000
28	A	115	PHE	0	-0.019	-0.017	10.323	0.041	0.041	0.000	0.000	0.000	0.000
29	A	116	ALA	0	0.013	0.001	4.892	-0.058	-0.058	0.000	0.000	0.000	0.000
30	A	117	VAL	0	0.017	-0.012	6.216	-0.179	-0.179	0.000	0.000	0.000	0.000
31	A	118	VAL	0	-0.050	-0.016	8.234	0.016	0.016	0.000	0.000	0.000	0.000
32	A	119	ASP	-1	-0.909	-0.947	6.550	-0.853	-0.853	0.000	0.000	0.000	0.000
33	A	120	PHE	0	-0.100	-0.051	2.703	-5.483	-3.048	1.180	-1.690	-1.924	-0.026
34	A	121	PRO	0	0.057	0.030	6.230	0.542	0.542	0.000	0.000	0.000	0.000
35	A	122	LEU	0	-0.029	-0.025	8.881	0.126	0.126	0.000	0.000	0.000	0.000
36	A	123	ASN	0	-0.045	-0.015	3.213	0.801	1.548	0.031	-0.257	-0.521	-0.002
37	A	124	PRO	0	0.018	0.018	5.551	-0.246	-0.246	0.000	0.000	0.000	0.000
38	A	125	VAL	0	0.073	0.027	8.128	0.317	0.317	0.000	0.000	0.000	0.000
39	A	126	HIS	0	-0.015	0.017	10.554	-0.112	-0.112	0.000	0.000	0.000	0.000
40	A	127	ALA	0	0.002	-0.015	9.752	-0.106	-0.106	0.000	0.000	0.000	0.000
41	A	128	ILE	0	0.037	0.014	7.350	-0.143	-0.143	0.000	0.000	0.000	0.000
42	A	129	TRP	0	0.009	0.012	11.491	-0.144	-0.144	0.000	0.000	0.000	0.000
43	A	130	HIS	0	-0.021	-0.018	14.864	-0.084	-0.084	0.000	0.000	0.000	0.000
44	A	131	ALA	0	-0.067	-0.037	13.335	-0.054	-0.054	0.000	0.000	0.000	0.000
45	A	132	ALA	0	0.053	0.029	14.814	-0.054	-0.054	0.000	0.000	0.000	0.000
46	A	133	LYS	1	0.837	0.913	16.618	-0.267	-0.267	0.000	0.000	0.000	0.000
47	A	134	ASP	-1	-0.780	-0.850	19.671	0.097	0.097	0.000	0.000	0.000	0.000
48	A	135	MET	0	-0.047	-0.018	17.803	-0.013	-0.013	0.000	0.000	0.000	0.000
49	A	136	ILE	0	-0.016	0.004	20.184	-0.018	-0.018	0.000	0.000	0.000	0.000
50	A	137	HIS	0	-0.076	-0.042	23.339	-0.007	-0.007	0.000	0.000	0.000	0.000
51	A	138	PRO	0	-0.006	-0.030	26.444	-0.008	-0.008	0.000	0.000	0.000	0.000
52	A	139	GLU	-1	-0.887	-0.921	28.246	0.037	0.037	0.000	0.000	0.000	0.000
53	A	140	ASN	0	-0.049	-0.003	24.709	-0.010	-0.010	0.000	0.000	0.000	0.000
54	A	141	PRO	0	0.036	0.016	25.694	-0.001	-0.001	0.000	0.000	0.000	0.000
55	A	142	ASP	-1	-0.756	-0.876	25.707	-0.001	-0.001	0.000	0.000	0.000	0.000
56	A	143	ASN	0	0.002	-0.008	23.135	0.011	0.011	0.000	0.000	0.000	0.000
57	A	144	ALA	0	0.011	-0.001	21.222	-0.006	-0.006	0.000	0.000	0.000	0.000
58	A	145	ARG	1	0.758	0.868	21.043	-0.008	-0.008	0.000	0.000	0.000	0.000
59	A	146	GLN	0	-0.047	-0.038	21.762	0.010	0.010	0.000	0.000	0.000	0.000
60	A	147	ALA	0	0.017	0.007	17.702	0.004	0.004	0.000	0.000	0.000	0.000
61	A	148	SER	0	0.021	0.012	17.072	0.014	0.014	0.000	0.000	0.000	0.000
62	A	149	TRP	0	0.013	-0.021	17.741	0.032	0.032	0.000	0.000	0.000	0.000
63	A	150	GLU	-1	-0.887	-0.935	17.915	-0.028	-0.028	0.000	0.000	0.000	0.000
64	A	151	LEU	0	-0.018	0.002	11.207	-0.005	-0.005	0.000	0.000	0.000	0.000
65	A	152	LEU	0	0.000	-0.001	14.421	0.052	0.052	0.000	0.000	0.000	0.000
66	A	153	ILE	0	-0.036	-0.019	16.865	0.022	0.022	0.000	0.000	0.000	0.000
67	A	154	GLU	-1	-0.807	-0.894	13.240	0.007	0.007	0.000	0.000	0.000	0.000
68	A	155	CYS	0	-0.062	-0.026	12.827	0.070	0.070	0.000	0.000	0.000	0.000
69	A	156	VAL	0	-0.047	-0.032	14.268	0.032	0.032	0.000	0.000	0.000	0.000
70	A	157	LYS	1	0.779	0.889	15.406	-0.033	-0.033	0.000	0.000	0.000	0.000
71	A	158	TYR	0	-0.037	-0.003	10.703	0.032	0.032	0.000	0.000	0.000	0.000
72	A	159	PRO	0	0.013	0.010	13.473	-0.019	-0.019	0.000	0.000	0.000	0.000
73	A	160	ASN	0	-0.049	-0.024	12.579	-0.033	-0.033	0.000	0.000	0.000	0.000
74	A	161	SER	0	0.000	0.009	15.520	0.050	0.050	0.000	0.000	0.000	0.000
75	A	162	THR	0	-0.042	-0.055	16.849	-0.052	-0.052	0.000	0.000	0.000	0.000
76	A	163	GLU	-1	-0.809	-0.922	19.509	0.133	0.133	0.000	0.000	0.000	0.000
77	A	164	LEU	0	0.021	0.004	21.817	-0.009	-0.009	0.000	0.000	0.000	0.000
78	A	165	GLU	-1	-0.788	-0.869	15.287	0.424	0.424	0.000	0.000	0.000	0.000
79	A	166	ARG	1	0.862	0.920	19.689	-0.173	-0.173	0.000	0.000	0.000	0.000
80	A	167	SER	0	-0.021	-0.016	21.489	-0.017	-0.017	0.000	0.000	0.000	0.000
81	A	168	GLU	-1	-0.874	-0.925	20.581	0.219	0.219	0.000	0.000	0.000	0.000
82	A	169	TYR	0	0.021	0.016	15.549	0.001	0.001	0.000	0.000	0.000	0.000
83	A	170	PHE	0	0.060	0.026	21.436	-0.020	-0.020	0.000	0.000	0.000	0.000
84	A	171	HIS	1	0.801	0.896	24.988	-0.133	-0.133	0.000	0.000	0.000	0.000
85	A	172	THR	0	-0.022	-0.001	21.047	-0.008	-0.008	0.000	0.000	0.000	0.000
86	A	173	LEU	0	-0.039	-0.015	22.753	-0.013	-0.013	0.000	0.000	0.000	0.000
87	A	174	THR	0	-0.055	-0.051	24.631	-0.016	-0.016	0.000	0.000	0.000	0.000
88	A	175	GLY	0	-0.005	0.015	28.070	-0.009	-0.009	0.000	0.000	0.000	0.000
89	A	176	PRO	0	-0.036	-0.035	29.822	-0.004	-0.004	0.000	0.000	0.000	0.000
90	A	177	ALA	0	0.078	0.041	28.208	0.004	0.004	0.000	0.000	0.000	0.000
91	A	178	HIS	0	0.018	0.019	29.118	-0.005	-0.005	0.000	0.000	0.000	0.000
92	A	179	SER	0	0.013	0.007	30.810	0.000	0.000	0.000	0.000	0.000	0.000
93	A	180	LYS	1	0.821	0.894	30.866	0.002	0.002	0.000	0.000	0.000	0.000
94	A	181	ASP	-1	-0.738	-0.833	26.722	0.024	0.024	0.000	0.000	0.000	0.000
95	A	182	PHE	0	-0.016	0.000	27.792	0.004	0.004	0.000	0.000	0.000	0.000
96	A	183	CYS	0	0.008	0.008	26.979	0.003	0.003	0.000	0.000	0.000	0.000
97	A	184	TYR	0	-0.011	-0.031	22.460	0.004	0.004	0.000	0.000	0.000	0.000
98	A	185	GLN	0	-0.005	0.005	24.522	0.003	0.003	0.000	0.000	0.000	0.000
99	A	186	LEU	0	0.022	0.004	26.367	0.009	0.009	0.000	0.000	0.000	0.000
100	A	187	VAL	0	0.027	0.022	22.601	0.005	0.005	0.000	0.000	0.000	0.000
101	A	188	ALA	0	0.017	0.015	22.185	0.009	0.009	0.000	0.000	0.000	0.000
102	A	189	LEU	0	0.024	0.006	23.142	0.013	0.013	0.000	0.000	0.000	0.000
103	A	190	GLU	-1	-0.846	-0.904	25.382	0.042	0.042	0.000	0.000	0.000	0.000
104	A	191	GLN	0	-0.049	-0.040	20.449	0.005	0.005	0.000	0.000	0.000	0.000
105	A	192	LEU	0	0.003	0.022	20.661	0.012	0.012	0.000	0.000	0.000	0.000
106	A	193	THR	0	-0.044	-0.038	22.432	0.006	0.006	0.000	0.000	0.000	0.000
107	A	194	ASN	0	-0.035	-0.004	23.195	-0.011	-0.011	0.000	0.000	0.000	0.000
108	A	195	HIS	0	-0.004	-0.018	24.501	-0.006	-0.006	0.000	0.000	0.000	0.000
109	A	196	GLY	0	0.031	0.002	27.819	-0.005	-0.005	0.000	0.000	0.000	0.000
110	A	197	ARG	1	0.899	0.957	27.015	-0.059	-0.059	0.000	0.000	0.000	0.000
111	A	198	ASN	0	0.001	-0.004	23.578	-0.002	-0.002	0.000	0.000	0.000	0.000
112	A	199	ILE	0	0.037	0.014	26.366	0.003	0.003	0.000	0.000	0.000	0.000
113	A	200	ALA	0	0.025	0.018	25.316	-0.002	-0.002	0.000	0.000	0.000	0.000
114	A	201	GLY	0	0.008	0.013	25.238	0.013	0.013	0.000	0.000	0.000	0.000
115	A	202	PHE	0	0.002	-0.006	24.453	-0.002	-0.002	0.000	0.000	0.000	0.000
116	A	203	TYR	0	-0.053	-0.032	28.282	-0.011	-0.011	0.000	0.000	0.000	0.000
117	A	204	TYR	0	0.022	-0.004	31.784	-0.005	-0.005	0.000	0.000	0.000	0.000
118	A	205	GLU	-1	-0.845	-0.918	30.625	0.094	0.094	0.000	0.000	0.000	0.000
119	A	206	MET	0	-0.006	0.021	29.808	-0.002	-0.002	0.000	0.000	0.000	0.000
120	A	207	PHE	0	0.056	0.018	32.752	-0.005	-0.005	0.000	0.000	0.000	0.000
121	A	208	PRO	0	0.020	0.005	35.932	-0.005	-0.005	0.000	0.000	0.000	0.000
122	A	209	LEU	0	0.025	0.038	30.556	-0.004	-0.004	0.000	0.000	0.000	0.000
123	A	210	LEU	0	0.001	-0.001	32.753	-0.005	-0.005	0.000	0.000	0.000	0.000
124	A	211	THR	0	-0.026	-0.027	35.684	-0.005	-0.005	0.000	0.000	0.000	0.000
125	A	212	LEU	0	-0.023	0.002	35.858	-0.004	-0.004	0.000	0.000	0.000	0.000
126	A	213	TRP	0	0.063	0.002	28.359	-0.005	-0.005	0.000	0.000	0.000	0.000
127	A	214	LEU	0	0.038	0.036	36.218	-0.004	-0.004	0.000	0.000	0.000	0.000
128	A	215	ASN	0	0.014	0.017	39.029	-0.006	-0.006	0.000	0.000	0.000	0.000
129	A	216	GLN	0	-0.053	-0.021	34.322	-0.001	-0.001	0.000	0.000	0.000	0.000
130	A	217	ALA	0	0.025	0.007	36.303	-0.003	-0.003	0.000	0.000	0.000	0.000
131	A	218	TYR	0	-0.002	-0.032	38.019	-0.003	-0.003	0.000	0.000	0.000	0.000
132	A	219	ARG	1	0.843	0.913	41.564	-0.023	-0.023	0.000	0.000	0.000	0.000
133	A	220	ALA	0	0.047	0.013	38.545	-0.002	-0.002	0.000	0.000	0.000	0.000
134	A	221	ALA	0	0.041	0.020	40.233	-0.002	-0.002	0.000	0.000	0.000	0.000
135	A	222	ARG	1	0.797	0.896	41.496	-0.015	-0.015	0.000	0.000	0.000	0.000
136	A	223	ASP	-1	-0.749	-0.870	43.570	0.009	0.009	0.000	0.000	0.000	0.000
137	A	224	ALA	0	0.036	0.032	41.064	-0.001	-0.001	0.000	0.000	0.000	0.000
138	A	225	ARG	1	0.766	0.832	42.264	-0.009	-0.009	0.000	0.000	0.000	0.000
139	A	226	LYS	1	0.819	0.916	45.905	-0.009	-0.009	0.000	0.000	0.000	0.000
140	A	227	LEU	0	-0.027	-0.024	44.444	-0.001	-0.001	0.000	0.000	0.000	0.000
141	A	228	ALA	0	-0.017	0.002	45.374	-0.001	-0.001	0.000	0.000	0.000	0.000
142	A	229	LEU	0	-0.033	-0.021	47.239	-0.001	-0.001	0.000	0.000	0.000	0.000
143	A	230	ALA	0	-0.069	-0.015	50.301	0.000	0.000	0.000	0.000	0.000	0.000
144	A	231	ARG	1	0.963	0.990	44.058	0.005	0.005	0.000	0.000	0.000	0.000
145	A	243	PRO	0	0.017	-0.013	40.424	0.000	0.000	0.000	0.000	0.000	0.000
146	A	244	ALA	0	-0.009	0.020	38.584	0.001	0.001	0.000	0.000	0.000	0.000
147	A	245	SER	0	-0.001	-0.036	38.423	-0.002	-0.002	0.000	0.000	0.000	0.000
148	A	246	PRO	0	0.031	0.001	33.680	0.001	0.001	0.000	0.000	0.000	0.000
149	A	247	GLU	-1	-0.833	-0.890	35.011	0.004	0.004	0.000	0.000	0.000	0.000
150	A	248	ASP	-1	-0.737	-0.847	37.265	0.006	0.006	0.000	0.000	0.000	0.000
151	A	249	LYS	1	0.845	0.922	33.689	0.012	0.012	0.000	0.000	0.000	0.000
152	A	250	ASN	0	0.043	0.009	31.912	0.003	0.003	0.000	0.000	0.000	0.000
153	A	251	LEU	0	-0.017	0.003	34.096	0.004	0.004	0.000	0.000	0.000	0.000
154	A	252	SER	0	-0.043	-0.024	35.849	0.002	0.002	0.000	0.000	0.000	0.000
155	A	253	GLN	0	-0.026	-0.016	27.714	-0.001	-0.001	0.000	0.000	0.000	0.000
156	A	254	LEU	0	0.015	0.021	32.806	0.004	0.004	0.000	0.000	0.000	0.000
157	A	255	PHE	0	0.012	-0.015	34.240	0.003	0.003	0.000	0.000	0.000	0.000
158	A	256	ALA	0	-0.041	-0.018	33.441	0.002	0.002	0.000	0.000	0.000	0.000
159	A	257	LEU	0	0.044	0.024	29.509	0.002	0.002	0.000	0.000	0.000	0.000
160	A	258	VAL	0	0.001	-0.008	32.894	0.004	0.004	0.000	0.000	0.000	0.000
161	A	259	LYS	1	0.825	0.896	35.263	-0.029	-0.029	0.000	0.000	0.000	0.000
162	A	260	ASP	-1	-0.837	-0.914	32.422	0.037	0.037	0.000	0.000	0.000	0.000
163	A	261	VAL	0	0.005	0.017	31.605	0.004	0.004	0.000	0.000	0.000	0.000
164	A	262	ILE	0	-0.055	-0.019	34.020	0.002	0.002	0.000	0.000	0.000	0.000
165	A	263	LYS	1	0.897	0.962	35.524	-0.036	-0.036	0.000	0.000	0.000	0.000
166	A	264	PHE	0	-0.056	-0.038	31.878	-0.001	-0.001	0.000	0.000	0.000	0.000
167	A	265	ASN	0	-0.033	-0.025	30.699	0.006	0.006	0.000	0.000	0.000	0.000
168	A	266	PHE	0	0.089	0.055	34.825	0.001	0.001	0.000	0.000	0.000	0.000
169	A	267	LYS	1	0.927	0.977	35.559	-0.070	-0.070	0.000	0.000	0.000	0.000
170	A	268	PHE	0	-0.022	-0.012	33.060	0.000	0.000	0.000	0.000	0.000	0.000
171	A	269	ALA	0	-0.043	-0.003	37.066	0.001	0.001	0.000	0.000	0.000	0.000
172	A	270	THR	0	0.020	0.006	39.491	-0.002	-0.002	0.000	0.000	0.000	0.000
173	A	271	ASP	-1	-0.853	-0.947	42.267	0.038	0.038	0.000	0.000	0.000	0.000
174	A	272	ASP	-1	-0.931	-0.974	45.310	0.034	0.034	0.000	0.000	0.000	0.000
175	A	273	VAL	0	0.003	0.007	39.421	-0.001	-0.001	0.000	0.000	0.000	0.000
176	A	274	ILE	0	0.008	0.019	41.238	-0.002	-0.002	0.000	0.000	0.000	0.000
177	A	275	ALA	0	-0.017	-0.007	44.131	-0.002	-0.002	0.000	0.000	0.000	0.000
178	A	276	GLY	0	0.048	0.019	44.771	-0.002	-0.002	0.000	0.000	0.000	0.000
179	A	277	LEU	0	-0.035	-0.023	40.145	-0.002	-0.002	0.000	0.000	0.000	0.000
180	A	278	ILE	0	0.003	-0.021	43.559	-0.002	-0.002	0.000	0.000	0.000	0.000
181	A	279	ASP	-1	-0.809	-0.886	46.765	0.024	0.024	0.000	0.000	0.000	0.000
182	A	280	MET	0	-0.050	-0.009	42.588	-0.002	-0.002	0.000	0.000	0.000	0.000
183	A	281	LEU	0	0.024	0.001	42.053	-0.002	-0.002	0.000	0.000	0.000	0.000
184	A	282	LEU	0	0.016	0.010	45.810	-0.002	-0.002	0.000	0.000	0.000	0.000
185	A	283	LYS	1	0.946	0.973	47.655	-0.023	-0.023	0.000	0.000	0.000	0.000
186	A	284	ILE	0	-0.001	-0.001	43.068	-0.001	-0.001	0.000	0.000	0.000	0.000
187	A	285	CYS	0	-0.064	-0.036	47.432	-0.001	-0.001	0.000	0.000	0.000	0.000
188	A	286	MET	0	-0.048	-0.015	49.566	-0.001	-0.001	0.000	0.000	0.000	0.000
189	A	287	LEU	0	-0.048	-0.019	49.328	-0.001	-0.001	0.000	0.000	0.000	0.000
190	A	288	THR	0	0.001	-0.008	45.999	0.000	0.000	0.000	0.000	0.000	0.000
191	A	289	SER	0	-0.019	0.003	48.457	0.000	0.000	0.000	0.000	0.000	0.000
192	A	290	VAL	0	0.010	0.013	43.792	-0.001	-0.001	0.000	0.000	0.000	0.000
193	A	291	GLU	-1	-0.741	-0.845	46.566	0.006	0.006	0.000	0.000	0.000	0.000
194	A	292	ASP	-1	-0.819	-0.915	42.122	0.006	0.006	0.000	0.000	0.000	0.000
195	A	293	ASP	-1	-0.723	-0.821	42.918	0.013	0.013	0.000	0.000	0.000	0.000
196	A	294	LEU	0	-0.007	0.010	43.990	0.002	0.002	0.000	0.000	0.000	0.000
197	A	295	ARG	1	0.791	0.878	43.570	-0.006	-0.006	0.000	0.000	0.000	0.000
198	A	296	ALA	0	-0.037	-0.018	40.588	0.002	0.002	0.000	0.000	0.000	0.000
199	A	297	CYS	0	0.003	-0.012	42.365	0.003	0.003	0.000	0.000	0.000	0.000
200	A	298	ILE	0	-0.020	-0.005	44.395	0.001	0.001	0.000	0.000	0.000	0.000
201	A	299	HIS	1	0.847	0.913	41.551	-0.016	-0.016	0.000	0.000	0.000	0.000
202	A	300	VAL	0	0.019	0.031	39.811	0.002	0.002	0.000	0.000	0.000	0.000
203	A	301	ILE	0	0.023	0.004	42.184	0.002	0.002	0.000	0.000	0.000	0.000
204	A	302	GLU	-1	-0.823	-0.900	44.224	0.021	0.021	0.000	0.000	0.000	0.000
205	A	303	SER	0	-0.007	-0.005	40.274	0.001	0.001	0.000	0.000	0.000	0.000
206	A	304	LEU	0	-0.016	-0.002	42.318	0.002	0.002	0.000	0.000	0.000	0.000
207	A	305	VAL	0	-0.070	-0.040	44.037	0.001	0.001	0.000	0.000	0.000	0.000
208	A	306	THR	0	-0.063	-0.038	43.316	-0.001	-0.001	0.000	0.000	0.000	0.000
209	A	307	PHE	0	-0.041	-0.042	40.288	0.000	0.000	0.000	0.000	0.000	0.000
210	A	308	GLY	0	0.029	0.014	42.043	0.003	0.003	0.000	0.000	0.000	0.000
211	A	309	SER	0	-0.060	-0.030	43.812	-0.003	-0.003	0.000	0.000	0.000	0.000
212	A	310	ILE	0	0.016	0.016	46.741	0.001	0.001	0.000	0.000	0.000	0.000
213	A	311	PRO	0	0.079	0.041	48.081	-0.001	-0.001	0.000	0.000	0.000	0.000
214	A	312	THR	0	0.052	0.005	51.082	-0.001	-0.001	0.000	0.000	0.000	0.000
215	A	313	ASN	0	-0.019	-0.015	53.034	-0.001	-0.001	0.000	0.000	0.000	0.000
216	A	314	LYS	1	0.852	0.927	49.759	-0.027	-0.027	0.000	0.000	0.000	0.000
217	A	315	LEU	0	-0.019	0.016	53.322	-0.001	-0.001	0.000	0.000	0.000	0.000
218	A	316	LYS	1	0.897	0.943	55.051	-0.016	-0.016	0.000	0.000	0.000	0.000
219	A	317	TYR	0	0.055	0.040	53.880	-0.001	-0.001	0.000	0.000	0.000	0.000
220	A	318	CYS	0	0.023	0.016	51.228	0.000	0.000	0.000	0.000	0.000	0.000
221	A	319	ILE	0	0.015	0.012	53.117	-0.001	-0.001	0.000	0.000	0.000	0.000
222	A	320	GLN	0	-0.024	-0.016	56.241	0.000	0.000	0.000	0.000	0.000	0.000
223	A	321	VAL	0	0.009	0.008	51.375	-0.001	-0.001	0.000	0.000	0.000	0.000
224	A	322	LEU	0	0.011	-0.009	49.941	-0.001	-0.001	0.000	0.000	0.000	0.000
225	A	323	SER	0	-0.019	-0.042	53.899	-0.001	-0.001	0.000	0.000	0.000	0.000
226	A	324	SER	0	-0.029	-0.021	56.480	-0.001	-0.001	0.000	0.000	0.000	0.000
227	A	325	ILE	0	-0.009	0.000	50.614	-0.001	-0.001	0.000	0.000	0.000	0.000
228	A	326	HIS	0	-0.026	0.009	54.782	-0.001	-0.001	0.000	0.000	0.000	0.000
229	A	327	CYS	0	-0.056	-0.011	56.314	-0.001	-0.001	0.000	0.000	0.000	0.000
230	A	328	LEU	0	-0.046	-0.045	57.602	-0.001	-0.001	0.000	0.000	0.000	0.000
231	A	329	VAL	0	0.010	0.015	52.162	-0.001	-0.001	0.000	0.000	0.000	0.000
232	A	330	PRO	0	0.046	0.026	54.400	0.000	0.000	0.000	0.000	0.000	0.000
233	A	331	SER	0	-0.028	-0.034	51.522	0.000	0.000	0.000	0.000	0.000	0.000
234	A	332	LEU	0	-0.015	-0.004	47.586	0.000	0.000	0.000	0.000	0.000	0.000
235	A	333	GLN	0	-0.066	-0.022	51.540	0.001	0.001	0.000	0.000	0.000	0.000
236	A	334	LYS	1	0.949	0.969	49.199	-0.005	-0.005	0.000	0.000	0.000	0.000
237	A	335	GLU	-1	-0.810	-0.920	46.751	0.010	0.010	0.000	0.000	0.000	0.000
238	A	336	ALA	0	0.060	0.033	49.740	0.001	0.001	0.000	0.000	0.000	0.000
239	A	337	TRP	0	0.005	-0.001	51.856	0.001	0.001	0.000	0.000	0.000	0.000
240	A	338	HIS	0	-0.032	-0.011	46.410	0.000	0.000	0.000	0.000	0.000	0.000
241	A	339	THR	0	0.065	0.033	48.500	0.001	0.001	0.000	0.000	0.000	0.000
242	A	340	ILE	0	-0.004	-0.007	50.257	0.001	0.001	0.000	0.000	0.000	0.000
243	A	341	SER	0	-0.058	-0.032	52.519	0.000	0.000	0.000	0.000	0.000	0.000
244	A	342	ILE	0	0.011	0.008	47.618	0.000	0.000	0.000	0.000	0.000	0.000
245	A	343	ILE	0	0.010	0.014	51.094	0.001	0.001	0.000	0.000	0.000	0.000
246	A	344	CYS	0	-0.070	-0.031	53.339	0.000	0.000	0.000	0.000	0.000	0.000
247	A	345	ARG	1	0.838	0.926	51.358	-0.019	-0.019	0.000	0.000	0.000	0.000
248	A	346	SER	0	0.030	0.015	52.723	0.001	0.001	0.000	0.000	0.000	0.000
249	A	347	HIS	0	0.062	0.030	50.978	-0.001	-0.001	0.000	0.000	0.000	0.000
250	A	348	HIS	0	-0.005	-0.013	51.974	-0.002	-0.002	0.000	0.000	0.000	0.000
251	A	349	GLY	0	0.026	0.030	56.617	-0.001	-0.001	0.000	0.000	0.000	0.000
252	A	350	GLN	0	0.026	-0.008	59.026	-0.001	-0.001	0.000	0.000	0.000	0.000
253	A	351	SER	0	0.015	-0.003	58.945	-0.001	-0.001	0.000	0.000	0.000	0.000
254	A	352	THR	0	0.019	-0.006	57.800	0.000	0.000	0.000	0.000	0.000	0.000
255	A	353	VAL	0	0.002	0.012	60.034	-0.001	-0.001	0.000	0.000	0.000	0.000
256	A	354	ARG	1	0.956	0.976	62.086	-0.018	-0.018	0.000	0.000	0.000	0.000
257	A	355	ILE	0	-0.010	-0.001	58.961	0.000	0.000	0.000	0.000	0.000	0.000
258	A	356	LEU	0	0.010	-0.010	60.352	-0.001	-0.001	0.000	0.000	0.000	0.000
259	A	357	LEU	0	0.006	0.011	63.620	-0.001	-0.001	0.000	0.000	0.000	0.000
260	A	358	ASP	-1	-0.861	-0.893	65.225	0.014	0.014	0.000	0.000	0.000	0.000
261	A	359	PHE	0	-0.027	-0.010	60.261	0.000	0.000	0.000	0.000	0.000	0.000
262	A	360	LEU	0	-0.016	-0.003	66.276	-0.001	-0.001	0.000	0.000	0.000	0.000
263	A	361	ARG	1	0.825	0.880	69.644	-0.011	-0.011	0.000	0.000	0.000	0.000
264	A	362	SER	0	-0.032	-0.037	67.898	0.000	0.000	0.000	0.000	0.000	0.000
265	A	363	TYR	0	-0.039	-0.001	69.873	0.000	0.000	0.000	0.000	0.000	0.000
266	A	364	SER	0	0.031	-0.002	71.120	0.000	0.000	0.000	0.000	0.000	0.000
267	A	365	PRO	0	-0.057	-0.022	73.040	0.000	0.000	0.000	0.000	0.000	0.000
268	A	366	ASN	0	0.013	0.014	71.421	0.000	0.000	0.000	0.000	0.000	0.000
269	A	367	PRO	0	0.039	0.012	73.725	0.000	0.000	0.000	0.000	0.000	0.000
270	A	368	ASP	-1	-0.800	-0.883	69.214	0.008	0.008	0.000	0.000	0.000	0.000
271	A	369	LYS	1	0.918	0.927	70.089	-0.006	-0.006	0.000	0.000	0.000	0.000
272	A	370	ASN	0	-0.041	-0.035	65.508	0.000	0.000	0.000	0.000	0.000	0.000
273	A	371	ARG	1	0.943	0.989	65.209	-0.011	-0.011	0.000	0.000	0.000	0.000
274	A	372	GLU	-1	-0.850	-0.903	67.424	0.007	0.007	0.000	0.000	0.000	0.000
275	A	373	LYS	1	0.968	0.967	65.731	-0.006	-0.006	0.000	0.000	0.000	0.000
276	A	374	ASP	-1	-0.830	-0.883	62.046	0.011	0.011	0.000	0.000	0.000	0.000
277	A	375	THR	0	-0.032	-0.028	63.685	0.000	0.000	0.000	0.000	0.000	0.000
278	A	376	VAL	0	0.013	0.004	66.177	0.000	0.000	0.000	0.000	0.000	0.000
279	A	377	ARG	1	0.759	0.874	59.064	-0.011	-0.011	0.000	0.000	0.000	0.000
280	A	378	ASP	-1	-0.826	-0.902	61.357	0.012	0.012	0.000	0.000	0.000	0.000
281	A	379	VAL	0	-0.018	0.000	63.108	0.000	0.000	0.000	0.000	0.000	0.000
282	A	380	ARG	1	0.948	0.961	63.348	-0.007	-0.007	0.000	0.000	0.000	0.000
283	A	381	GLY	0	0.023	0.016	61.245	0.000	0.000	0.000	0.000	0.000	0.000
284	A	382	ALA	0	0.013	0.005	62.017	0.000	0.000	0.000	0.000	0.000	0.000
285	A	383	LEU	0	0.028	0.014	63.594	0.000	0.000	0.000	0.000	0.000	0.000
286	A	384	SER	0	-0.008	0.002	60.509	0.000	0.000	0.000	0.000	0.000	0.000
287	A	385	VAL	0	-0.020	-0.023	58.669	0.000	0.000	0.000	0.000	0.000	0.000
288	A	386	LEU	0	0.016	0.007	61.222	0.000	0.000	0.000	0.000	0.000	0.000
289	A	387	GLN	0	0.041	0.042	64.473	0.000	0.000	0.000	0.000	0.000	0.000
290	A	388	LYS	1	0.899	0.959	58.276	-0.009	-0.009	0.000	0.000	0.000	0.000
291	A	389	LEU	0	-0.005	-0.021	60.407	0.000	0.000	0.000	0.000	0.000	0.000
292	A	390	LEU	0	0.037	0.011	62.485	0.000	0.000	0.000	0.000	0.000	0.000
293	A	391	ARG	1	0.904	0.975	63.645	-0.008	-0.008	0.000	0.000	0.000	0.000
294	A	392	LYS	1	0.735	0.877	57.965	-0.013	-0.013	0.000	0.000	0.000	0.000
295	A	393	THR	0	0.017	-0.026	62.959	0.000	0.000	0.000	0.000	0.000	0.000
296	A	394	ALA	0	0.053	0.025	62.713	0.000	0.000	0.000	0.000	0.000	0.000
297	A	395	GLU	-1	-0.814	-0.882	62.209	0.014	0.014	0.000	0.000	0.000	0.000
298	A	396	LYS	1	0.819	0.926	59.509	-0.011	-0.011	0.000	0.000	0.000	0.000
299	A	397	GLY	0	0.044	0.027	58.048	0.001	0.001	0.000	0.000	0.000	0.000
300	A	398	TYR	0	-0.032	-0.026	56.032	0.000	0.000	0.000	0.000	0.000	0.000
301	A	399	PRO	0	-0.006	0.016	59.942	0.000	0.000	0.000	0.000	0.000	0.000
302	A	400	GLN	0	0.036	0.001	62.905	-0.001	-0.001	0.000	0.000	0.000	0.000
303	A	401	VAL	0	0.003	-0.004	65.970	0.000	0.000	0.000	0.000	0.000	0.000
304	A	402	PRO	0	0.018	0.009	68.308	0.000	0.000	0.000	0.000	0.000	0.000
305	A	403	LEU	0	0.105	0.060	71.793	0.000	0.000	0.000	0.000	0.000	0.000
306	A	404	SER	0	0.054	0.028	74.331	0.000	0.000	0.000	0.000	0.000	0.000
307	A	405	LEU	0	0.032	0.004	71.668	0.000	0.000	0.000	0.000	0.000	0.000
308	A	406	LEU	0	-0.003	0.015	69.388	0.000	0.000	0.000	0.000	0.000	0.000
309	A	407	VAL	0	0.058	0.023	72.283	0.000	0.000	0.000	0.000	0.000	0.000
310	A	408	GLY	0	0.026	0.012	75.712	0.000	0.000	0.000	0.000	0.000	0.000
311	A	409	GLY	0	-0.066	-0.053	72.059	0.000	0.000	0.000	0.000	0.000	0.000
312	A	410	LEU	0	0.003	-0.020	71.151	0.000	0.000	0.000	0.000	0.000	0.000
313	A	411	ALA	0	0.019	0.021	73.961	0.000	0.000	0.000	0.000	0.000	0.000
314	A	412	ASN	0	-0.055	-0.024	73.397	-0.001	-0.001	0.000	0.000	0.000	0.000
315	A	413	VAL	0	0.013	0.007	70.826	0.000	0.000	0.000	0.000	0.000	0.000
316	A	414	SER	0	0.019	0.004	73.953	0.000	0.000	0.000	0.000	0.000	0.000
317	A	415	LYS	1	0.969	1.015	76.458	-0.008	-0.008	0.000	0.000	0.000	0.000
318	A	416	SER	0	-0.025	-0.005	73.914	0.000	0.000	0.000	0.000	0.000	0.000
319	A	417	SER	0	-0.048	-0.031	72.472	0.000	0.000	0.000	0.000	0.000	0.000
320	A	418	SER	0	0.065	0.019	73.486	0.000	0.000	0.000	0.000	0.000	0.000
321	A	419	THR	0	0.122	0.059	73.385	0.000	0.000	0.000	0.000	0.000	0.000
322	A	420	ARG	1	0.990	1.017	66.522	-0.003	-0.003	0.000	0.000	0.000	0.000
323	A	421	VAL	0	-0.006	-0.005	69.115	0.000	0.000	0.000	0.000	0.000	0.000
324	A	422	ALA	0	0.059	0.046	71.088	0.000	0.000	0.000	0.000	0.000	0.000
325	A	423	THR	0	0.014	-0.028	71.145	0.000	0.000	0.000	0.000	0.000	0.000
326	A	424	GLU	-1	-0.887	-0.915	66.947	0.006	0.006	0.000	0.000	0.000	0.000
327	A	425	ILE	0	-0.013	-0.010	70.026	0.000	0.000	0.000	0.000	0.000	0.000
328	A	426	LEU	0	0.041	0.022	72.382	0.000	0.000	0.000	0.000	0.000	0.000
329	A	427	ARG	1	0.867	0.923	67.455	-0.005	-0.005	0.000	0.000	0.000	0.000
330	A	428	LEU	0	-0.071	-0.031	67.782	0.000	0.000	0.000	0.000	0.000	0.000
331	A	429	ILE	0	0.058	0.042	70.198	0.000	0.000	0.000	0.000	0.000	0.000
332	A	430	ASN	0	-0.014	-0.042	72.971	0.000	0.000	0.000	0.000	0.000	0.000
333	A	431	SER	0	-0.154	-0.084	68.598	0.000	0.000	0.000	0.000	0.000	0.000
334	A	432	LEU	0	-0.043	-0.019	70.459	0.000	0.000	0.000	0.000	0.000	0.000
335	A	433	PHE	0	0.086	0.036	72.588	0.000	0.000	0.000	0.000	0.000	0.000
336	A	434	HIS	0	-0.007	0.007	73.000	0.000	0.000	0.000	0.000	0.000	0.000
337	A	435	GLY	0	0.069	0.044	69.639	0.000	0.000	0.000	0.000	0.000	0.000
338	A	436	ARG	1	0.762	0.863	68.002	-0.009	-0.009	0.000	0.000	0.000	0.000
339	A	437	GLU	-1	-0.864	-0.920	68.541	0.006	0.006	0.000	0.000	0.000	0.000
340	A	438	GLY	0	0.046	0.021	70.208	0.000	0.000	0.000	0.000	0.000	0.000
341	A	439	ASN	0	-0.068	-0.015	72.548	0.000	0.000	0.000	0.000	0.000	0.000
342	A	440	ILE	0	0.096	0.054	72.917	0.000	0.000	0.000	0.000	0.000	0.000
343	A	441	ASN	0	-0.022	-0.019	68.976	0.001	0.001	0.000	0.000	0.000	0.000
344	A	442	PRO	0	0.036	-0.001	70.243	0.000	0.000	0.000	0.000	0.000	0.000
345	A	443	ILE	0	-0.063	-0.021	70.409	0.000	0.000	0.000	0.000	0.000	0.000
346	A	444	LEU	0	0.026	0.004	73.212	0.000	0.000	0.000	0.000	0.000	0.000
347	A	445	VAL	0	-0.004	0.013	76.119	0.000	0.000	0.000	0.000	0.000	0.000
348	A	446	GLU	-1	-0.914	-0.938	78.406	0.009	0.009	0.000	0.000	0.000	0.000
349	A	447	GLU	-1	-0.976	-0.985	77.683	0.010	0.010	0.000	0.000	0.000	0.000
350	A	448	HIS	0	0.038	0.022	81.088	0.000	0.000	0.000	0.000	0.000	0.000
351	A	449	TRP	0	-0.003	-0.037	79.951	0.000	0.000	0.000	0.000	0.000	0.000
352	A	450	GLU	-1	-0.858	-0.895	82.575	0.006	0.006	0.000	0.000	0.000	0.000
353	A	451	PRO	0	-0.004	-0.003	80.841	0.000	0.000	0.000	0.000	0.000	0.000
354	A	452	ILE	0	-0.006	-0.013	76.999	0.000	0.000	0.000	0.000	0.000	0.000
355	A	453	PHE	0	0.021	-0.003	79.731	0.000	0.000	0.000	0.000	0.000	0.000
356	A	454	ASP	-1	-0.900	-0.941	82.329	0.006	0.006	0.000	0.000	0.000	0.000
357	A	455	VAL	0	-0.049	-0.031	76.560	0.000	0.000	0.000	0.000	0.000	0.000
358	A	456	ALA	0	-0.028	-0.018	78.707	0.000	0.000	0.000	0.000	0.000	0.000
359	A	457	ALA	0	0.067	0.032	79.721	0.000	0.000	0.000	0.000	0.000	0.000
360	A	458	GLN	0	0.019	0.017	80.299	0.000	0.000	0.000	0.000	0.000	0.000
361	A	459	CYS	0	-0.081	-0.015	76.847	0.000	0.000	0.000	0.000	0.000	0.000
362	A	460	ALA	0	0.048	0.013	79.034	0.000	0.000	0.000	0.000	0.000	0.000
363	A	461	THR	0	-0.071	-0.047	81.629	0.000	0.000	0.000	0.000	0.000	0.000
364	A	462	LYS	1	0.745	0.885	77.764	-0.006	-0.006	0.000	0.000	0.000	0.000
365	A	463	ALA	0	0.016	-0.009	78.875	0.000	0.000	0.000	0.000	0.000	0.000
366	A	477	PRO	0	0.048	-0.005	98.820	0.000	0.000	0.000	0.000	0.000	0.000
367	A	478	THR	0	-0.046	-0.030	97.186	0.000	0.000	0.000	0.000	0.000	0.000
368	A	479	VAL	0	0.027	0.015	95.550	0.000	0.000	0.000	0.000	0.000	0.000
369	A	480	ALA	0	0.001	0.003	94.130	0.000	0.000	0.000	0.000	0.000	0.000
370	A	481	LYS	1	0.900	0.965	92.361	-0.001	-0.001	0.000	0.000	0.000	0.000
371	A	482	GLU	-1	-0.894	-0.941	87.673	0.000	0.000	0.000	0.000	0.000	0.000
372	A	483	GLU	-1	-0.908	-0.968	82.088	0.001	0.001	0.000	0.000	0.000	0.000
373	A	484	PRO	0	0.037	0.037	84.162	0.000	0.000	0.000	0.000	0.000	0.000
374	A	485	VAL	0	-0.096	-0.063	84.448	0.000	0.000	0.000	0.000	0.000	0.000
375	A	486	VAL	0	0.003	0.017	79.529	0.000	0.000	0.000	0.000	0.000	0.000
376	A	487	GLU	-1	-0.820	-0.915	78.037	0.002	0.002	0.000	0.000	0.000	0.000
377	A	488	ASP	-1	-0.785	-0.881	76.353	0.003	0.003	0.000	0.000	0.000	0.000
378	A	489	ASN	0	-0.086	-0.068	71.096	0.000	0.000	0.000	0.000	0.000	0.000
379	A	490	VAL	0	0.010	0.042	74.582	0.000	0.000	0.000	0.000	0.000	0.000
380	A	491	SER	0	0.030	0.018	76.467	0.000	0.000	0.000	0.000	0.000	0.000
381	A	492	LEU	0	-0.008	-0.008	73.286	0.000	0.000	0.000	0.000	0.000	0.000
382	A	493	GLN	0	-0.022	0.002	71.545	0.000	0.000	0.000	0.000	0.000	0.000
383	A	494	LEU	0	0.051	0.034	75.925	0.000	0.000	0.000	0.000	0.000	0.000
384	A	495	LYS	1	0.864	0.919	79.212	-0.002	-0.002	0.000	0.000	0.000	0.000
385	A	496	HIS	0	-0.073	-0.040	74.121	0.000	0.000	0.000	0.000	0.000	0.000
386	A	497	LEU	0	0.005	0.009	77.426	0.000	0.000	0.000	0.000	0.000	0.000
387	A	498	ILE	0	-0.004	0.000	78.967	0.000	0.000	0.000	0.000	0.000	0.000
388	A	499	LEU	0	0.068	0.050	79.003	0.000	0.000	0.000	0.000	0.000	0.000
389	A	500	ARG	1	0.813	0.890	76.134	-0.006	-0.006	0.000	0.000	0.000	0.000
390	A	501	VAL	0	0.005	-0.022	79.943	0.000	0.000	0.000	0.000	0.000	0.000
391	A	502	GLU	-1	-0.941	-0.968	82.511	0.004	0.004	0.000	0.000	0.000	0.000
392	A	503	ASN	0	-0.040	-0.042	81.426	0.000	0.000	0.000	0.000	0.000	0.000
393	A	504	LEU	0	-0.036	-0.002	79.186	0.000	0.000	0.000	0.000	0.000	0.000
394	A	505	ILE	0	-0.017	-0.009	83.125	0.000	0.000	0.000	0.000	0.000	0.000
395	A	506	VAL	0	-0.056	-0.022	86.340	0.000	0.000	0.000	0.000	0.000	0.000
396	A	507	HIS	0	-0.043	-0.037	82.239	0.000	0.000	0.000	0.000	0.000	0.000
397	A	508	GLN	0	-0.047	-0.019	82.495	0.000	0.000	0.000	0.000	0.000	0.000
398	A	509	GLY	0	0.024	0.009	86.080	0.000	0.000	0.000	0.000	0.000	0.000
399	A	510	PRO	0	-0.094	-0.081	88.918	0.000	0.000	0.000	0.000	0.000	0.000
400	A	511	GLU	-1	-0.876	-0.911	84.544	0.006	0.006	0.000	0.000	0.000	0.000
401	A	512	LEU	0	-0.048	-0.008	83.125	0.000	0.000	0.000	0.000	0.000	0.000
402	A	513	LEU	0	0.039	0.010	83.747	0.000	0.000	0.000	0.000	0.000	0.000
403	A	514	GLN	0	0.003	-0.009	81.905	0.000	0.000	0.000	0.000	0.000	0.000
404	A	515	ARG	1	0.996	1.012	86.231	-0.005	-0.005	0.000	0.000	0.000	0.000
405	A	516	ASP	-1	-0.825	-0.918	88.299	0.006	0.006	0.000	0.000	0.000	0.000
406	A	517	ASP	-1	-0.765	-0.880	85.981	0.006	0.006	0.000	0.000	0.000	0.000
407	A	518	CYS	0	-0.110	-0.051	85.076	0.000	0.000	0.000	0.000	0.000	0.000
408	A	519	MET	0	-0.004	-0.011	86.571	0.000	0.000	0.000	0.000	0.000	0.000
409	A	520	LYS	1	0.833	0.908	89.551	-0.006	-0.006	0.000	0.000	0.000	0.000
410	A	521	PHE	0	-0.029	-0.019	81.933	0.000	0.000	0.000	0.000	0.000	0.000
411	A	522	LEU	0	0.042	0.010	85.545	0.000	0.000	0.000	0.000	0.000	0.000
412	A	523	ILE	0	-0.021	0.001	88.129	0.000	0.000	0.000	0.000	0.000	0.000
413	A	524	ARG	1	0.781	0.872	87.120	-0.006	-0.006	0.000	0.000	0.000	0.000
414	A	525	VAL	0	-0.052	-0.021	84.020	0.000	0.000	0.000	0.000	0.000	0.000
415	A	526	GLN	0	-0.048	-0.008	87.340	0.000	0.000	0.000	0.000	0.000	0.000
416	A	527	HIS	0	-0.018	0.009	89.551	0.000	0.000	0.000	0.000	0.000	0.000

Top

Graph

Overview

Manual

Support

Interactive mode: IFIE and PIEDA for fragment #1(A:88:SER)