FMO DATABASE

FMODB ID: LN8Q9

Calculation Name: 3WVF-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: 3WVF

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: Q1R4M9

Base Structure: X-ray

Registration Date: 2023-09-24

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	OptH
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	448
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-7720193.261089
FMO2-HF: Nuclear repulsion	7542867.50769
FMO2-HF: Total energy	-177325.753399
FMO2-MP2: Total energy	-177841.365241

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:56:GLY)

Summations of interaction energy for fragment #1(A:56: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.
-2.603	0.46	1.176	-2.074	-2.162	0.001

Interaction energy analysis for fragmet #1(A:56:GLY)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.064 / q_NPA : 0.033

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	58	GLY	0	0.035	0.009	3.794	0.320	2.420	-0.018	-1.174	-0.908	0.004
4	A	59	LYS	1	0.948	0.996	6.905	0.736	0.736	0.000	0.000	0.000	0.000
5	A	60	LEU	0	0.002	0.005	6.885	0.036	0.036	0.000	0.000	0.000	0.000
6	A	61	ILE	0	-0.001	0.009	9.694	0.138	0.138	0.000	0.000	0.000	0.000
7	A	62	SER	0	-0.016	-0.010	12.597	0.013	0.013	0.000	0.000	0.000	0.000
8	A	63	VAL	0	0.019	0.004	15.040	0.047	0.047	0.000	0.000	0.000	0.000
9	A	64	LYS	1	0.895	0.960	17.284	0.207	0.207	0.000	0.000	0.000	0.000
10	A	65	THR	0	0.025	0.000	20.516	0.010	0.010	0.000	0.000	0.000	0.000
11	A	66	ASP	-1	-0.838	-0.925	23.518	-0.063	-0.063	0.000	0.000	0.000	0.000
12	A	67	VAL	0	-0.027	-0.002	23.847	-0.005	-0.005	0.000	0.000	0.000	0.000
13	A	68	LEU	0	-0.028	-0.002	19.219	-0.001	-0.001	0.000	0.000	0.000	0.000
14	A	69	ASP	-1	-0.923	-0.955	18.216	-0.287	-0.287	0.000	0.000	0.000	0.000
15	A	70	LEU	0	0.048	0.026	14.184	-0.001	-0.001	0.000	0.000	0.000	0.000
16	A	71	THR	0	-0.021	-0.012	10.206	-0.047	-0.047	0.000	0.000	0.000	0.000
17	A	72	ILE	0	0.018	0.006	9.384	-0.013	-0.013	0.000	0.000	0.000	0.000
18	A	73	ASN	0	-0.003	0.006	3.815	0.663	0.877	0.011	-0.108	-0.116	0.000
19	A	74	THR	0	0.025	-0.005	6.502	0.355	0.355	0.000	0.000	0.000	0.000
20	A	75	ARG	1	0.815	0.904	2.490	0.351	0.530	1.184	-0.655	-0.708	-0.002
21	A	76	GLY	0	0.004	-0.009	3.874	0.427	0.787	0.002	-0.105	-0.255	-0.001
22	A	77	GLY	0	0.000	0.005	6.415	-0.073	-0.073	0.000	0.000	0.000	0.000
23	A	78	ASP	-1	-0.789	-0.890	4.607	3.128	3.289	-0.001	-0.009	-0.151	0.000
24	A	79	VAL	0	-0.004	-0.018	7.352	-0.425	-0.425	0.000	0.000	0.000	0.000
25	A	80	GLU	-1	-0.893	-0.956	4.657	-3.486	-3.504	-0.001	-0.006	0.025	0.000
26	A	81	GLN	0	0.021	0.009	8.805	0.156	0.156	0.000	0.000	0.000	0.000
27	A	82	ALA	0	0.011	-0.002	12.389	0.050	0.050	0.000	0.000	0.000	0.000
28	A	83	LEU	0	0.002	-0.003	15.795	0.018	0.018	0.000	0.000	0.000	0.000
29	A	84	LEU	0	-0.003	-0.006	19.162	0.023	0.023	0.000	0.000	0.000	0.000
30	A	85	PRO	0	-0.029	-0.025	22.142	0.003	0.003	0.000	0.000	0.000	0.000
31	A	86	ALA	0	-0.018	0.007	25.104	0.003	0.003	0.000	0.000	0.000	0.000
32	A	87	TYR	0	-0.037	-0.024	25.803	0.013	0.013	0.000	0.000	0.000	0.000
33	A	88	PRO	0	0.018	0.017	26.158	-0.013	-0.013	0.000	0.000	0.000	0.000
34	A	89	LYS	1	0.957	0.980	22.363	0.200	0.200	0.000	0.000	0.000	0.000
35	A	90	GLU	-1	-0.957	-0.983	26.002	-0.096	-0.096	0.000	0.000	0.000	0.000
36	A	91	LEU	0	0.019	0.000	29.226	-0.001	-0.001	0.000	0.000	0.000	0.000
37	A	92	ASN	0	-0.015	-0.011	32.912	0.002	0.002	0.000	0.000	0.000	0.000
38	A	93	SER	0	0.019	0.022	28.636	-0.011	-0.011	0.000	0.000	0.000	0.000
39	A	94	THR	0	-0.008	-0.013	28.730	0.009	0.009	0.000	0.000	0.000	0.000
40	A	95	GLN	0	-0.022	-0.014	22.781	0.005	0.005	0.000	0.000	0.000	0.000
41	A	96	PRO	0	0.032	0.040	22.254	0.015	0.015	0.000	0.000	0.000	0.000
42	A	97	PHE	0	0.002	0.001	21.482	-0.018	-0.018	0.000	0.000	0.000	0.000
43	A	98	GLN	0	-0.003	0.005	15.059	0.017	0.017	0.000	0.000	0.000	0.000
44	A	99	LEU	0	-0.043	-0.015	17.514	0.012	0.012	0.000	0.000	0.000	0.000
45	A	100	LEU	0	-0.040	-0.008	12.507	0.025	0.025	0.000	0.000	0.000	0.000
46	A	101	GLU	-1	-0.830	-0.932	12.993	-0.387	-0.387	0.000	0.000	0.000	0.000
47	A	102	THR	0	-0.018	-0.004	6.858	0.035	0.035	0.000	0.000	0.000	0.000
48	A	103	SER	0	-0.016	-0.004	10.063	-0.136	-0.136	0.000	0.000	0.000	0.000
49	A	104	PRO	0	-0.038	-0.024	11.465	0.016	0.016	0.000	0.000	0.000	0.000
50	A	105	GLN	0	-0.023	0.000	13.170	0.088	0.088	0.000	0.000	0.000	0.000
51	A	106	PHE	0	-0.021	-0.021	13.859	0.090	0.090	0.000	0.000	0.000	0.000
52	A	107	ILE	0	0.015	0.013	7.022	-0.083	-0.083	0.000	0.000	0.000	0.000
53	A	108	TYR	0	-0.033	-0.067	11.125	0.121	0.121	0.000	0.000	0.000	0.000
54	A	109	GLN	0	-0.014	-0.023	5.401	0.592	0.592	0.000	0.000	0.000	0.000
55	A	110	ALA	0	0.028	0.013	10.275	0.117	0.117	0.000	0.000	0.000	0.000
56	A	111	GLN	0	-0.023	-0.019	5.609	-0.539	-0.539	0.000	0.000	0.000	0.000
57	A	112	SER	0	0.006	0.012	9.218	-0.208	-0.208	0.000	0.000	0.000	0.000
58	A	113	GLY	0	0.022	0.017	9.510	0.199	0.199	0.000	0.000	0.000	0.000
59	A	114	LEU	0	-0.032	-0.015	11.615	-0.103	-0.103	0.000	0.000	0.000	0.000
60	A	115	THR	0	0.031	0.021	13.720	0.058	0.058	0.000	0.000	0.000	0.000
61	A	116	GLY	0	0.032	0.003	15.082	-0.098	-0.098	0.000	0.000	0.000	0.000
62	A	117	ARG	1	0.906	0.945	17.443	-0.268	-0.268	0.000	0.000	0.000	0.000
63	A	118	ASP	-1	-0.767	-0.867	18.799	0.354	0.354	0.000	0.000	0.000	0.000
64	A	119	GLY	0	-0.006	0.018	15.748	-0.022	-0.022	0.000	0.000	0.000	0.000
65	A	120	PRO	0	0.036	0.007	12.235	0.077	0.077	0.000	0.000	0.000	0.000
66	A	121	ASP	-1	-0.777	-0.902	9.397	1.466	1.466	0.000	0.000	0.000	0.000
67	A	122	ASN	0	-0.091	-0.045	10.254	0.308	0.308	0.000	0.000	0.000	0.000
68	A	123	PRO	0	0.026	0.004	10.284	-0.050	-0.050	0.000	0.000	0.000	0.000
69	A	124	ALA	0	-0.031	-0.010	11.506	-0.095	-0.095	0.000	0.000	0.000	0.000
70	A	125	ASN	0	-0.085	-0.043	13.751	-0.175	-0.175	0.000	0.000	0.000	0.000
71	A	126	GLY	0	0.003	0.018	11.959	-0.104	-0.104	0.000	0.000	0.000	0.000
72	A	127	PRO	0	-0.061	-0.042	7.156	0.223	0.223	0.000	0.000	0.000	0.000
73	A	128	ARG	1	0.824	0.907	4.490	-3.919	-3.852	-0.001	-0.017	-0.049	0.000
74	A	129	PRO	0	-0.004	0.021	6.552	-0.210	-0.210	0.000	0.000	0.000	0.000
75	A	130	LEU	0	-0.055	-0.037	7.045	0.047	0.047	0.000	0.000	0.000	0.000
76	A	131	TYR	0	-0.026	-0.007	8.687	-0.089	-0.089	0.000	0.000	0.000	0.000
77	A	132	ASN	0	-0.011	-0.005	11.005	-0.186	-0.186	0.000	0.000	0.000	0.000
78	A	133	VAL	0	-0.026	-0.030	12.682	0.030	0.030	0.000	0.000	0.000	0.000
79	A	134	GLU	-1	-0.906	-0.955	15.179	-0.137	-0.137	0.000	0.000	0.000	0.000
80	A	135	LYS	1	0.901	0.964	17.457	0.144	0.144	0.000	0.000	0.000	0.000
81	A	136	ASP	-1	-0.861	-0.935	15.269	-0.521	-0.521	0.000	0.000	0.000	0.000
82	A	137	ALA	0	-0.028	-0.011	16.012	-0.033	-0.033	0.000	0.000	0.000	0.000
83	A	138	TYR	0	-0.027	-0.018	16.052	0.040	0.040	0.000	0.000	0.000	0.000
84	A	139	VAL	0	0.014	0.001	19.972	-0.008	-0.008	0.000	0.000	0.000	0.000
85	A	140	LEU	0	-0.028	-0.003	23.034	0.012	0.012	0.000	0.000	0.000	0.000
86	A	141	ALA	0	0.016	0.013	25.390	-0.005	-0.005	0.000	0.000	0.000	0.000
87	A	142	GLU	-1	-0.925	-0.980	28.777	-0.056	-0.056	0.000	0.000	0.000	0.000
88	A	143	GLY	0	0.002	0.014	32.150	0.006	0.006	0.000	0.000	0.000	0.000
89	A	144	GLN	0	-0.004	-0.012	27.342	-0.002	-0.002	0.000	0.000	0.000	0.000
90	A	145	ASN	0	-0.021	-0.011	29.858	-0.006	-0.006	0.000	0.000	0.000	0.000
91	A	146	GLU	-1	-0.903	-0.961	25.114	0.036	0.036	0.000	0.000	0.000	0.000
92	A	147	LEU	0	0.022	0.009	20.638	-0.009	-0.009	0.000	0.000	0.000	0.000
93	A	148	GLN	0	-0.030	-0.009	21.037	0.011	0.011	0.000	0.000	0.000	0.000
94	A	149	VAL	0	-0.010	-0.015	15.507	-0.024	-0.024	0.000	0.000	0.000	0.000
95	A	150	PRO	0	-0.010	0.007	16.441	0.025	0.025	0.000	0.000	0.000	0.000
96	A	151	MET	0	-0.028	-0.005	10.088	-0.034	-0.034	0.000	0.000	0.000	0.000
97	A	152	THR	0	0.013	0.005	14.898	0.063	0.063	0.000	0.000	0.000	0.000
98	A	153	TYR	0	0.019	0.002	12.630	0.008	0.008	0.000	0.000	0.000	0.000
99	A	154	THR	0	0.016	0.015	14.867	0.008	0.008	0.000	0.000	0.000	0.000
100	A	155	ASP	-1	-0.819	-0.902	16.395	0.263	0.263	0.000	0.000	0.000	0.000
101	A	156	ALA	0	-0.007	-0.019	17.320	-0.035	-0.035	0.000	0.000	0.000	0.000
102	A	157	ALA	0	-0.047	-0.021	19.639	-0.023	-0.023	0.000	0.000	0.000	0.000
103	A	158	GLY	0	0.027	0.024	21.097	-0.016	-0.016	0.000	0.000	0.000	0.000
104	A	159	ASN	0	-0.015	0.007	20.133	-0.032	-0.032	0.000	0.000	0.000	0.000
105	A	160	THR	0	-0.023	-0.010	19.472	-0.001	-0.001	0.000	0.000	0.000	0.000
106	A	161	PHE	0	-0.009	-0.017	15.435	0.028	0.028	0.000	0.000	0.000	0.000
107	A	162	THR	0	0.003	0.004	16.056	-0.022	-0.022	0.000	0.000	0.000	0.000
108	A	163	LYS	1	0.847	0.948	10.425	-0.531	-0.531	0.000	0.000	0.000	0.000
109	A	164	THR	0	0.009	-0.002	15.236	-0.068	-0.068	0.000	0.000	0.000	0.000
110	A	165	PHE	0	-0.029	-0.003	11.224	0.023	0.023	0.000	0.000	0.000	0.000
111	A	166	VAL	0	0.002	0.004	16.987	-0.034	-0.034	0.000	0.000	0.000	0.000
112	A	167	LEU	0	-0.005	-0.006	17.705	0.013	0.013	0.000	0.000	0.000	0.000
113	A	168	LYS	1	0.969	0.979	21.844	-0.052	-0.052	0.000	0.000	0.000	0.000
114	A	169	ARG	1	0.884	0.940	25.224	0.043	0.043	0.000	0.000	0.000	0.000
115	A	170	GLY	0	-0.038	-0.030	27.362	0.008	0.008	0.000	0.000	0.000	0.000
116	A	171	ASP	-1	-0.924	-0.958	25.209	0.049	0.049	0.000	0.000	0.000	0.000
117	A	172	TYR	0	0.006	-0.016	22.912	-0.015	-0.015	0.000	0.000	0.000	0.000
118	A	173	ALA	0	-0.023	-0.016	21.657	0.014	0.014	0.000	0.000	0.000	0.000
119	A	174	VAL	0	-0.006	-0.004	17.113	-0.014	-0.014	0.000	0.000	0.000	0.000
120	A	175	ASN	0	-0.010	0.006	18.990	0.046	0.046	0.000	0.000	0.000	0.000
121	A	176	VAL	0	-0.020	-0.012	13.988	-0.019	-0.019	0.000	0.000	0.000	0.000
122	A	177	ASN	0	0.010	0.001	17.201	0.047	0.047	0.000	0.000	0.000	0.000
123	A	178	TYR	0	0.035	-0.001	13.234	0.028	0.028	0.000	0.000	0.000	0.000
124	A	179	ASN	0	-0.053	-0.033	18.479	-0.026	-0.026	0.000	0.000	0.000	0.000
125	A	180	VAL	0	0.031	0.013	18.740	0.013	0.013	0.000	0.000	0.000	0.000
126	A	181	GLN	0	0.036	0.026	21.105	-0.017	-0.017	0.000	0.000	0.000	0.000
127	A	182	ASN	0	-0.053	-0.035	23.120	0.010	0.010	0.000	0.000	0.000	0.000
128	A	183	ALA	0	-0.007	-0.011	24.418	-0.018	-0.018	0.000	0.000	0.000	0.000
129	A	184	GLY	0	0.014	0.019	25.723	-0.010	-0.010	0.000	0.000	0.000	0.000
130	A	185	GLU	-1	-0.930	-0.972	26.766	0.128	0.128	0.000	0.000	0.000	0.000
131	A	186	LYS	1	0.900	0.950	23.124	-0.275	-0.275	0.000	0.000	0.000	0.000
132	A	187	PRO	0	-0.023	-0.024	26.828	0.008	0.008	0.000	0.000	0.000	0.000
133	A	188	LEU	0	-0.049	-0.007	21.111	0.015	0.015	0.000	0.000	0.000	0.000
134	A	189	GLU	-1	-0.951	-0.982	22.732	0.314	0.314	0.000	0.000	0.000	0.000
135	A	190	ILE	0	-0.005	-0.006	17.859	0.047	0.047	0.000	0.000	0.000	0.000
136	A	191	SER	0	-0.014	-0.038	18.688	-0.033	-0.033	0.000	0.000	0.000	0.000
137	A	192	THR	0	0.030	0.018	16.437	0.093	0.093	0.000	0.000	0.000	0.000
138	A	193	PHE	0	-0.022	-0.016	9.647	-0.022	-0.022	0.000	0.000	0.000	0.000
139	A	194	GLY	0	0.003	-0.004	13.747	0.008	0.008	0.000	0.000	0.000	0.000
140	A	195	GLN	0	-0.021	0.001	10.223	-0.164	-0.164	0.000	0.000	0.000	0.000
141	A	196	LEU	0	-0.025	0.007	12.139	0.041	0.041	0.000	0.000	0.000	0.000
142	A	197	LYS	1	0.962	0.989	5.399	-1.674	-1.674	0.000	0.000	0.000	0.000
143	A	198	GLN	0	0.045	-0.007	12.075	-0.144	-0.144	0.000	0.000	0.000	0.000
144	A	199	SER	0	0.033	0.036	13.732	0.034	0.034	0.000	0.000	0.000	0.000
145	A	200	ILE	0	0.042	0.032	15.143	-0.023	-0.023	0.000	0.000	0.000	0.000
146	A	201	THR	0	-0.013	0.003	18.636	-0.007	-0.007	0.000	0.000	0.000	0.000
147	A	202	LEU	0	-0.026	-0.009	18.962	-0.013	-0.013	0.000	0.000	0.000	0.000
148	A	203	PRO	0	0.026	0.027	18.370	0.005	0.005	0.000	0.000	0.000	0.000
149	A	216	HIS	1	0.890	0.923	29.853	-0.040	-0.040	0.000	0.000	0.000	0.000
150	A	217	THR	0	0.062	0.038	28.925	0.005	0.005	0.000	0.000	0.000	0.000
151	A	218	PHE	0	-0.025	-0.005	25.015	-0.005	-0.005	0.000	0.000	0.000	0.000
152	A	219	ARG	1	0.804	0.884	18.138	-0.063	-0.063	0.000	0.000	0.000	0.000
153	A	220	GLY	0	-0.020	-0.015	21.661	0.001	0.001	0.000	0.000	0.000	0.000
154	A	221	ALA	0	0.004	0.012	19.910	0.003	0.003	0.000	0.000	0.000	0.000
155	A	222	ALA	0	-0.018	-0.017	21.751	-0.022	-0.022	0.000	0.000	0.000	0.000
156	A	223	TYR	0	-0.030	-0.012	22.983	0.032	0.032	0.000	0.000	0.000	0.000
157	A	224	SER	0	-0.028	-0.032	25.116	-0.020	-0.020	0.000	0.000	0.000	0.000
158	A	225	THR	0	0.015	-0.007	27.518	0.012	0.012	0.000	0.000	0.000	0.000
159	A	226	PRO	0	-0.019	-0.025	29.893	-0.011	-0.011	0.000	0.000	0.000	0.000
160	A	227	ASP	-1	-0.927	-0.943	33.137	0.134	0.134	0.000	0.000	0.000	0.000
161	A	228	GLU	-1	-0.870	-0.944	30.566	0.177	0.177	0.000	0.000	0.000	0.000
162	A	229	LYS	1	0.950	0.979	31.169	-0.092	-0.092	0.000	0.000	0.000	0.000
163	A	230	TYR	0	-0.016	-0.004	28.035	0.000	0.000	0.000	0.000	0.000	0.000
164	A	231	GLU	-1	-0.890	-0.920	28.869	0.130	0.130	0.000	0.000	0.000	0.000
165	A	232	LYS	1	0.882	0.952	26.951	-0.082	-0.082	0.000	0.000	0.000	0.000
166	A	233	TYR	0	0.039	-0.005	23.372	0.001	0.001	0.000	0.000	0.000	0.000
167	A	234	LYS	1	0.946	0.965	23.782	-0.101	-0.101	0.000	0.000	0.000	0.000
168	A	235	PHE	0	0.071	0.013	18.520	0.017	0.017	0.000	0.000	0.000	0.000
169	A	236	ASP	-1	-0.947	-0.976	22.040	0.134	0.134	0.000	0.000	0.000	0.000
170	A	237	THR	0	0.058	0.043	24.648	0.000	0.000	0.000	0.000	0.000	0.000
171	A	238	ILE	0	-0.037	-0.014	18.556	0.011	0.011	0.000	0.000	0.000	0.000
172	A	239	ALA	0	-0.050	-0.032	20.742	0.029	0.029	0.000	0.000	0.000	0.000
173	A	240	ASP	-1	-0.907	-0.932	21.754	0.154	0.154	0.000	0.000	0.000	0.000
174	A	241	ASN	0	-0.144	-0.084	20.895	0.037	0.037	0.000	0.000	0.000	0.000
175	A	242	GLU	-1	-0.917	-0.933	22.995	0.181	0.181	0.000	0.000	0.000	0.000
176	A	243	ASN	0	-0.031	-0.023	20.446	0.009	0.009	0.000	0.000	0.000	0.000
177	A	244	LEU	0	0.032	0.015	22.756	-0.015	-0.015	0.000	0.000	0.000	0.000
178	A	245	ASN	0	-0.019	-0.030	22.863	0.054	0.054	0.000	0.000	0.000	0.000
179	A	246	ILE	0	0.041	0.046	24.905	-0.018	-0.018	0.000	0.000	0.000	0.000
180	A	247	SER	0	0.007	-0.012	25.499	0.038	0.038	0.000	0.000	0.000	0.000
181	A	248	SER	0	-0.042	-0.007	27.115	-0.027	-0.027	0.000	0.000	0.000	0.000
182	A	249	LYS	1	0.970	0.973	27.338	-0.163	-0.163	0.000	0.000	0.000	0.000
183	A	250	GLY	0	0.028	0.036	27.179	-0.015	-0.015	0.000	0.000	0.000	0.000
184	A	251	GLY	0	0.059	0.021	26.336	0.018	0.018	0.000	0.000	0.000	0.000
185	A	252	TRP	0	-0.076	-0.043	23.201	0.013	0.013	0.000	0.000	0.000	0.000
186	A	253	VAL	0	0.014	0.016	18.829	-0.004	-0.004	0.000	0.000	0.000	0.000
187	A	254	ALA	0	0.001	-0.018	20.021	0.000	0.000	0.000	0.000	0.000	0.000
188	A	255	MET	0	-0.078	-0.006	15.470	0.003	0.003	0.000	0.000	0.000	0.000
189	A	256	LEU	0	-0.018	-0.006	19.888	-0.021	-0.021	0.000	0.000	0.000	0.000
190	A	257	GLN	0	0.024	-0.006	20.177	0.007	0.007	0.000	0.000	0.000	0.000
191	A	258	GLN	0	-0.018	-0.026	23.991	-0.001	-0.001	0.000	0.000	0.000	0.000
192	A	259	TYR	0	-0.008	-0.007	26.056	-0.012	-0.012	0.000	0.000	0.000	0.000
193	A	260	PHE	0	0.000	-0.005	22.566	-0.008	-0.008	0.000	0.000	0.000	0.000
194	A	261	ALA	0	0.048	0.028	21.674	0.010	0.010	0.000	0.000	0.000	0.000
195	A	262	THR	0	0.006	0.058	16.193	-0.008	-0.008	0.000	0.000	0.000	0.000
196	A	263	ALA	0	0.013	-0.020	19.165	0.018	0.018	0.000	0.000	0.000	0.000
197	A	264	TRP	0	0.015	0.019	12.897	-0.029	-0.029	0.000	0.000	0.000	0.000
198	A	265	ILE	0	-0.006	-0.019	19.084	-0.004	-0.004	0.000	0.000	0.000	0.000
199	A	266	PRO	0	-0.037	0.004	21.073	0.000	0.000	0.000	0.000	0.000	0.000
200	A	267	HIS	0	-0.014	-0.015	22.056	-0.023	-0.023	0.000	0.000	0.000	0.000
201	A	268	ASN	0	-0.055	-0.043	22.406	-0.012	-0.012	0.000	0.000	0.000	0.000
202	A	269	ASP	-1	-0.824	-0.918	25.817	0.157	0.157	0.000	0.000	0.000	0.000
203	A	270	GLY	0	-0.085	-0.027	26.853	-0.008	-0.008	0.000	0.000	0.000	0.000
204	A	271	THR	0	-0.065	-0.048	27.685	-0.016	-0.016	0.000	0.000	0.000	0.000
205	A	272	ASN	0	-0.009	0.005	23.122	0.042	0.042	0.000	0.000	0.000	0.000
206	A	273	ASN	0	-0.012	-0.008	21.885	0.016	0.016	0.000	0.000	0.000	0.000
207	A	274	PHE	0	-0.023	-0.018	21.334	0.053	0.053	0.000	0.000	0.000	0.000
208	A	275	TYR	0	-0.025	-0.030	14.179	-0.014	-0.014	0.000	0.000	0.000	0.000
209	A	276	THR	0	0.019	0.019	18.643	0.005	0.005	0.000	0.000	0.000	0.000
210	A	277	ALA	0	-0.016	-0.020	15.426	0.014	0.014	0.000	0.000	0.000	0.000
211	A	278	ASN	0	0.024	0.021	16.169	0.031	0.031	0.000	0.000	0.000	0.000
212	A	279	LEU	0	-0.067	-0.035	10.075	0.073	0.073	0.000	0.000	0.000	0.000
213	A	280	GLY	0	0.047	0.036	12.517	0.050	0.050	0.000	0.000	0.000	0.000
214	A	281	ASN	0	-0.027	-0.037	12.883	0.036	0.036	0.000	0.000	0.000	0.000
215	A	282	GLY	0	0.040	0.029	15.109	-0.043	-0.043	0.000	0.000	0.000	0.000
216	A	283	ILE	0	-0.035	-0.008	10.319	-0.042	-0.042	0.000	0.000	0.000	0.000
217	A	284	ALA	0	0.038	0.031	14.216	0.073	0.073	0.000	0.000	0.000	0.000
218	A	285	ALA	0	0.015	-0.011	13.029	0.032	0.032	0.000	0.000	0.000	0.000
219	A	286	ILE	0	0.019	0.013	15.007	-0.040	-0.040	0.000	0.000	0.000	0.000
220	A	287	GLY	0	0.005	0.005	15.828	0.055	0.055	0.000	0.000	0.000	0.000
221	A	288	TYR	0	-0.004	0.007	17.073	-0.062	-0.062	0.000	0.000	0.000	0.000
222	A	289	LYS	1	0.951	0.971	16.176	-0.637	-0.637	0.000	0.000	0.000	0.000
223	A	290	SER	0	0.000	0.020	19.182	-0.060	-0.060	0.000	0.000	0.000	0.000
224	A	291	GLN	0	0.050	0.053	21.590	0.022	0.022	0.000	0.000	0.000	0.000
225	A	292	PRO	0	-0.012	-0.013	22.336	-0.001	-0.001	0.000	0.000	0.000	0.000
226	A	293	VAL	0	0.011	0.014	22.822	-0.033	-0.033	0.000	0.000	0.000	0.000
227	A	294	LEU	0	-0.005	-0.015	24.285	0.016	0.016	0.000	0.000	0.000	0.000
228	A	295	VAL	0	-0.007	0.004	23.176	-0.017	-0.017	0.000	0.000	0.000	0.000
229	A	296	GLN	0	0.041	0.018	26.241	-0.003	-0.003	0.000	0.000	0.000	0.000
230	A	297	PRO	0	0.040	0.011	28.549	0.002	0.002	0.000	0.000	0.000	0.000
231	A	298	GLY	0	-0.002	0.013	28.609	-0.010	-0.010	0.000	0.000	0.000	0.000
232	A	299	GLN	0	-0.051	-0.021	29.134	-0.002	-0.002	0.000	0.000	0.000	0.000
233	A	300	THR	0	-0.004	-0.020	24.596	0.006	0.006	0.000	0.000	0.000	0.000
234	A	301	GLY	0	-0.014	0.001	24.354	-0.008	-0.008	0.000	0.000	0.000	0.000
235	A	302	ALA	0	-0.014	-0.006	22.507	0.005	0.005	0.000	0.000	0.000	0.000
236	A	303	MET	0	-0.027	-0.006	19.540	0.023	0.023	0.000	0.000	0.000	0.000
237	A	304	ASN	0	0.063	0.027	19.987	0.011	0.011	0.000	0.000	0.000	0.000
238	A	305	SER	0	-0.035	-0.013	17.543	0.050	0.050	0.000	0.000	0.000	0.000
239	A	306	THR	0	-0.009	-0.004	19.578	-0.015	-0.015	0.000	0.000	0.000	0.000
240	A	307	LEU	0	-0.001	0.007	14.326	0.024	0.024	0.000	0.000	0.000	0.000
241	A	308	TRP	0	-0.040	-0.009	18.326	-0.039	-0.039	0.000	0.000	0.000	0.000
242	A	309	VAL	0	0.029	-0.003	16.951	0.022	0.022	0.000	0.000	0.000	0.000
243	A	310	GLY	0	0.059	0.020	19.630	-0.028	-0.028	0.000	0.000	0.000	0.000
244	A	311	PRO	0	-0.021	-0.003	22.440	0.011	0.011	0.000	0.000	0.000	0.000
245	A	312	GLU	-1	-0.853	-0.939	25.879	0.065	0.065	0.000	0.000	0.000	0.000
246	A	313	ILE	0	-0.051	-0.026	27.692	-0.002	-0.002	0.000	0.000	0.000	0.000
247	A	314	GLN	0	0.062	0.009	30.216	0.001	0.001	0.000	0.000	0.000	0.000
248	A	315	ASP	-1	-0.897	-0.961	32.536	0.040	0.040	0.000	0.000	0.000	0.000
249	A	316	LYS	1	0.864	0.932	29.220	-0.025	-0.025	0.000	0.000	0.000	0.000
250	A	317	MET	0	0.031	0.041	26.745	0.007	0.007	0.000	0.000	0.000	0.000
251	A	318	ALA	0	0.014	0.009	29.017	0.011	0.011	0.000	0.000	0.000	0.000
252	A	319	ALA	0	-0.058	-0.024	30.660	0.003	0.003	0.000	0.000	0.000	0.000
253	A	320	VAL	0	-0.036	0.002	24.402	0.004	0.004	0.000	0.000	0.000	0.000
254	A	321	ALA	0	0.025	-0.002	26.492	0.013	0.013	0.000	0.000	0.000	0.000
255	A	322	PRO	0	0.024	0.025	28.465	-0.009	-0.009	0.000	0.000	0.000	0.000
256	A	323	HIS	0	0.050	0.004	29.997	0.013	0.013	0.000	0.000	0.000	0.000
257	A	324	LEU	0	0.019	0.027	24.743	0.003	0.003	0.000	0.000	0.000	0.000
258	A	325	ASP	-1	-0.926	-0.991	28.467	0.078	0.078	0.000	0.000	0.000	0.000
259	A	326	LEU	0	-0.052	-0.029	30.969	-0.009	-0.009	0.000	0.000	0.000	0.000
260	A	327	THR	0	-0.070	-0.022	25.527	-0.002	-0.002	0.000	0.000	0.000	0.000
261	A	328	VAL	0	0.031	0.043	28.198	-0.003	-0.003	0.000	0.000	0.000	0.000
262	A	329	ASP	-1	-0.893	-0.964	30.192	0.064	0.064	0.000	0.000	0.000	0.000
263	A	330	TYR	0	-0.076	-0.049	31.990	-0.008	-0.008	0.000	0.000	0.000	0.000
264	A	331	GLY	0	0.025	0.021	34.753	-0.003	-0.003	0.000	0.000	0.000	0.000
265	A	332	TRP	0	0.024	-0.012	36.398	0.000	0.000	0.000	0.000	0.000	0.000
266	A	333	LEU	0	-0.077	-0.018	39.087	0.000	0.000	0.000	0.000	0.000	0.000
267	A	334	TRP	0	0.130	0.063	34.525	-0.004	-0.004	0.000	0.000	0.000	0.000
268	A	335	PHE	0	-0.022	-0.027	39.240	-0.003	-0.003	0.000	0.000	0.000	0.000
269	A	336	ILE	0	-0.035	-0.016	42.222	-0.002	-0.002	0.000	0.000	0.000	0.000
270	A	337	SER	0	0.024	-0.015	39.246	-0.002	-0.002	0.000	0.000	0.000	0.000
271	A	338	GLN	0	0.028	0.026	37.857	-0.005	-0.005	0.000	0.000	0.000	0.000
272	A	339	PRO	0	-0.019	-0.012	39.830	-0.002	-0.002	0.000	0.000	0.000	0.000
273	A	340	LEU	0	0.046	0.029	42.978	-0.003	-0.003	0.000	0.000	0.000	0.000
274	A	341	PHE	0	0.089	0.056	36.023	-0.004	-0.004	0.000	0.000	0.000	0.000
275	A	342	LYS	1	0.962	0.985	39.289	-0.047	-0.047	0.000	0.000	0.000	0.000
276	A	343	LEU	0	-0.045	-0.013	41.769	-0.002	-0.002	0.000	0.000	0.000	0.000
277	A	344	LEU	0	-0.018	-0.019	40.826	-0.003	-0.003	0.000	0.000	0.000	0.000
278	A	345	LYS	1	0.906	0.942	36.736	-0.016	-0.016	0.000	0.000	0.000	0.000
279	A	346	TRP	0	-0.023	-0.013	41.870	-0.003	-0.003	0.000	0.000	0.000	0.000
280	A	347	ILE	0	-0.018	-0.005	44.974	-0.002	-0.002	0.000	0.000	0.000	0.000
281	A	348	HIS	1	0.938	0.962	40.116	0.005	0.005	0.000	0.000	0.000	0.000
282	A	349	SER	0	-0.094	-0.029	43.726	-0.003	-0.003	0.000	0.000	0.000	0.000
283	A	350	PHE	0	0.045	0.014	44.694	-0.002	-0.002	0.000	0.000	0.000	0.000
284	A	351	VAL	0	-0.056	-0.007	47.193	-0.002	-0.002	0.000	0.000	0.000	0.000
285	A	352	GLY	0	0.014	0.019	44.639	-0.002	-0.002	0.000	0.000	0.000	0.000
286	A	353	ASN	0	0.042	0.016	43.720	-0.002	-0.002	0.000	0.000	0.000	0.000
287	A	354	TRP	0	0.107	0.107	37.963	0.005	0.005	0.000	0.000	0.000	0.000
288	A	355	GLY	0	0.067	0.020	42.916	0.003	0.003	0.000	0.000	0.000	0.000
289	A	356	PHE	0	-0.013	-0.014	45.294	0.002	0.002	0.000	0.000	0.000	0.000
290	A	357	SER	0	-0.017	-0.081	44.646	0.002	0.002	0.000	0.000	0.000	0.000
291	A	358	ILE	0	0.025	0.020	42.373	0.003	0.003	0.000	0.000	0.000	0.000
292	A	359	ILE	0	0.032	0.078	46.566	0.002	0.002	0.000	0.000	0.000	0.000
293	A	360	ILE	0	0.003	0.009	49.793	0.001	0.001	0.000	0.000	0.000	0.000
294	A	361	ILE	0	0.026	0.007	45.459	0.002	0.002	0.000	0.000	0.000	0.000
295	A	362	THR	0	-0.077	-0.101	49.381	0.001	0.001	0.000	0.000	0.000	0.000
296	A	363	PHE	0	-0.021	-0.016	51.063	0.001	0.001	0.000	0.000	0.000	0.000
297	A	364	ILE	0	0.011	0.016	50.577	0.001	0.001	0.000	0.000	0.000	0.000
298	A	365	VAL	0	-0.016	-0.011	49.516	0.001	0.001	0.000	0.000	0.000	0.000
299	A	366	ARG	1	0.911	0.949	52.670	-0.006	-0.006	0.000	0.000	0.000	0.000
300	A	367	GLY	0	-0.018	-0.006	55.886	0.000	0.000	0.000	0.000	0.000	0.000
301	A	368	ILE	0	-0.022	-0.004	52.906	0.000	0.000	0.000	0.000	0.000	0.000
302	A	369	MET	0	-0.005	-0.003	53.142	0.001	0.001	0.000	0.000	0.000	0.000
303	A	370	TYR	0	0.049	0.031	57.497	0.000	0.000	0.000	0.000	0.000	0.000
304	A	371	PRO	0	0.022	-0.005	60.293	-0.001	-0.001	0.000	0.000	0.000	0.000
305	A	372	LEU	0	0.024	0.023	56.907	0.000	0.000	0.000	0.000	0.000	0.000
306	A	373	THR	0	-0.023	-0.008	59.838	-0.001	-0.001	0.000	0.000	0.000	0.000
307	A	374	LYS	1	0.957	0.962	61.397	-0.009	-0.009	0.000	0.000	0.000	0.000
308	A	375	ALA	0	0.024	0.033	63.960	-0.001	-0.001	0.000	0.000	0.000	0.000
309	A	376	GLN	0	0.086	0.033	59.442	0.001	0.001	0.000	0.000	0.000	0.000
310	A	377	TYR	0	0.044	0.044	63.615	0.000	0.000	0.000	0.000	0.000	0.000
311	A	378	THR	0	-0.031	-0.009	66.557	-0.001	-0.001	0.000	0.000	0.000	0.000
312	A	379	SER	0	-0.069	-0.075	66.518	0.000	0.000	0.000	0.000	0.000	0.000
313	A	380	MET	0	-0.004	-0.019	65.159	0.000	0.000	0.000	0.000	0.000	0.000
314	A	381	ALA	0	-0.001	0.001	68.539	-0.001	-0.001	0.000	0.000	0.000	0.000
315	A	382	LYS	1	0.899	0.969	71.433	-0.011	-0.011	0.000	0.000	0.000	0.000
316	A	383	MET	0	-0.006	-0.012	68.553	0.000	0.000	0.000	0.000	0.000	0.000
317	A	384	ARG	1	0.974	0.987	71.617	-0.004	-0.004	0.000	0.000	0.000	0.000
318	A	385	MET	0	-0.009	0.005	73.933	-0.001	-0.001	0.000	0.000	0.000	0.000
319	A	386	LEU	0	-0.028	-0.028	74.997	0.000	0.000	0.000	0.000	0.000	0.000
320	A	387	GLN	0	-0.023	-0.006	72.120	0.000	0.000	0.000	0.000	0.000	0.000
321	A	388	PRO	0	0.006	0.017	76.098	0.000	0.000	0.000	0.000	0.000	0.000
322	A	389	LYS	1	1.000	0.983	79.331	-0.008	-0.008	0.000	0.000	0.000	0.000
323	A	390	ILE	0	0.010	0.010	73.604	0.000	0.000	0.000	0.000	0.000	0.000
324	A	391	GLN	0	0.024	0.011	76.021	0.001	0.001	0.000	0.000	0.000	0.000
325	A	392	ALA	0	0.075	0.036	79.059	0.000	0.000	0.000	0.000	0.000	0.000
326	A	393	MET	0	-0.065	-0.016	77.977	0.000	0.000	0.000	0.000	0.000	0.000
327	A	394	ARG	1	0.848	0.908	77.611	-0.005	-0.005	0.000	0.000	0.000	0.000
328	A	395	GLU	-1	-0.867	-0.902	79.621	0.005	0.005	0.000	0.000	0.000	0.000
329	A	396	ARG	1	0.895	0.964	83.205	-0.009	-0.009	0.000	0.000	0.000	0.000
330	A	397	LEU	0	-0.115	-0.080	80.581	0.000	0.000	0.000	0.000	0.000	0.000
331	A	398	GLY	0	0.048	0.050	81.859	0.000	0.000	0.000	0.000	0.000	0.000
332	A	399	ASP	-1	-0.900	-0.953	77.615	0.007	0.007	0.000	0.000	0.000	0.000
333	A	400	ASP	-1	-0.845	-0.942	76.820	0.010	0.010	0.000	0.000	0.000	0.000
334	A	401	LYS	1	0.952	0.968	66.726	-0.013	-0.013	0.000	0.000	0.000	0.000
335	A	402	GLN	0	0.013	-0.001	71.819	0.000	0.000	0.000	0.000	0.000	0.000
336	A	403	ARG	1	0.973	0.979	74.148	-0.010	-0.010	0.000	0.000	0.000	0.000
337	A	404	ILE	0	0.053	0.050	74.392	0.000	0.000	0.000	0.000	0.000	0.000
338	A	405	SER	0	-0.039	-0.027	70.553	0.000	0.000	0.000	0.000	0.000	0.000
339	A	406	GLN	0	0.003	0.012	70.236	0.001	0.001	0.000	0.000	0.000	0.000
340	A	407	GLU	-1	-0.799	-0.919	73.262	0.014	0.014	0.000	0.000	0.000	0.000
341	A	408	MET	0	-0.041	-0.012	70.056	0.000	0.000	0.000	0.000	0.000	0.000
342	A	409	MET	0	-0.037	-0.009	68.957	0.000	0.000	0.000	0.000	0.000	0.000
343	A	410	ALA	0	0.009	0.004	71.881	0.000	0.000	0.000	0.000	0.000	0.000
344	A	411	LEU	0	0.004	0.003	74.454	0.000	0.000	0.000	0.000	0.000	0.000
345	A	412	TYR	0	-0.029	-0.021	69.496	0.000	0.000	0.000	0.000	0.000	0.000
346	A	413	LYS	1	0.923	0.958	66.804	-0.017	-0.017	0.000	0.000	0.000	0.000
347	A	414	ALA	0	-0.022	-0.003	71.928	0.000	0.000	0.000	0.000	0.000	0.000
348	A	415	GLU	-1	-0.943	-1.005	75.338	0.011	0.011	0.000	0.000	0.000	0.000
349	A	416	LYS	1	0.844	0.935	70.981	-0.015	-0.015	0.000	0.000	0.000	0.000
350	A	417	VAL	0	0.038	0.042	70.075	0.000	0.000	0.000	0.000	0.000	0.000
351	A	418	ASN	0	-0.024	-0.024	68.179	0.000	0.000	0.000	0.000	0.000	0.000
352	A	419	PRO	0	0.000	0.001	63.274	0.001	0.001	0.000	0.000	0.000	0.000
353	A	420	LEU	0	-0.010	-0.009	64.070	0.001	0.001	0.000	0.000	0.000	0.000
354	A	421	GLY	0	0.052	0.020	62.170	0.000	0.000	0.000	0.000	0.000	0.000
355	A	422	GLY	0	0.024	0.018	62.893	0.000	0.000	0.000	0.000	0.000	0.000
356	A	423	CYS	0	-0.018	-0.014	57.653	0.000	0.000	0.000	0.000	0.000	0.000
357	A	424	PHE	0	0.044	0.022	57.269	0.001	0.001	0.000	0.000	0.000	0.000
358	A	425	PRO	0	0.003	-0.019	56.975	0.001	0.001	0.000	0.000	0.000	0.000
359	A	426	LEU	0	-0.003	0.002	54.063	0.000	0.000	0.000	0.000	0.000	0.000
360	A	427	LEU	0	0.052	0.017	52.282	0.001	0.001	0.000	0.000	0.000	0.000
361	A	428	ILE	0	-0.028	0.004	52.398	0.002	0.002	0.000	0.000	0.000	0.000
362	A	429	GLN	0	-0.014	-0.018	51.115	0.000	0.000	0.000	0.000	0.000	0.000
363	A	430	MET	0	0.027	0.027	46.953	-0.001	-0.001	0.000	0.000	0.000	0.000
364	A	431	PRO	0	0.005	-0.013	46.402	0.001	0.001	0.000	0.000	0.000	0.000
365	A	432	ILE	0	-0.006	0.012	45.591	0.001	0.001	0.000	0.000	0.000	0.000
366	A	433	PHE	0	0.045	0.025	43.452	0.000	0.000	0.000	0.000	0.000	0.000
367	A	434	LEU	0	0.023	0.005	41.378	-0.001	-0.001	0.000	0.000	0.000	0.000
368	A	435	ALA	0	0.028	0.020	41.208	0.001	0.001	0.000	0.000	0.000	0.000
369	A	436	LEU	0	0.019	0.014	40.935	0.001	0.001	0.000	0.000	0.000	0.000
370	A	437	TYR	0	-0.007	0.011	37.361	-0.001	-0.001	0.000	0.000	0.000	0.000
371	A	438	TYR	0	0.020	0.006	35.421	-0.002	-0.002	0.000	0.000	0.000	0.000
372	A	439	MET	0	-0.009	0.013	36.127	0.001	0.001	0.000	0.000	0.000	0.000
373	A	440	LEU	0	-0.088	-0.049	36.651	-0.002	-0.002	0.000	0.000	0.000	0.000
374	A	441	MET	0	-0.023	0.001	33.497	-0.005	-0.005	0.000	0.000	0.000	0.000
375	A	442	GLY	0	0.031	0.041	32.254	0.000	0.000	0.000	0.000	0.000	0.000
376	A	443	SER	0	-0.062	-0.044	31.944	0.004	0.004	0.000	0.000	0.000	0.000
377	A	444	VAL	0	0.017	0.016	28.526	-0.006	-0.006	0.000	0.000	0.000	0.000
378	A	445	GLU	-1	-0.898	-0.965	31.625	0.006	0.006	0.000	0.000	0.000	0.000
379	A	446	LEU	0	-0.042	-0.031	34.614	-0.004	-0.004	0.000	0.000	0.000	0.000
380	A	447	ARG	1	0.939	0.985	27.518	0.050	0.050	0.000	0.000	0.000	0.000
381	A	448	GLN	0	-0.046	-0.017	31.071	-0.007	-0.007	0.000	0.000	0.000	0.000
382	A	449	ALA	0	-0.039	0.000	34.888	-0.002	-0.002	0.000	0.000	0.000	0.000
383	A	450	PRO	0	0.031	0.017	37.803	0.000	0.000	0.000	0.000	0.000	0.000
384	A	451	PHE	0	-0.028	-0.021	40.821	0.005	0.005	0.000	0.000	0.000	0.000
385	A	452	ALA	0	0.010	0.009	44.326	-0.003	-0.003	0.000	0.000	0.000	0.000
386	A	453	LEU	0	-0.017	-0.022	46.841	0.000	0.000	0.000	0.000	0.000	0.000
387	A	454	TRP	0	-0.002	-0.004	45.439	-0.002	-0.002	0.000	0.000	0.000	0.000
388	A	455	ILE	0	-0.032	0.000	42.237	-0.001	-0.001	0.000	0.000	0.000	0.000
389	A	456	HIS	0	0.045	0.007	38.909	0.001	0.001	0.000	0.000	0.000	0.000
390	A	457	ASP	-1	-0.754	-0.848	34.759	-0.034	-0.034	0.000	0.000	0.000	0.000
391	A	458	LEU	0	-0.045	-0.026	38.107	0.003	0.003	0.000	0.000	0.000	0.000
392	A	459	SER	0	-0.056	-0.055	34.798	0.003	0.003	0.000	0.000	0.000	0.000
393	A	460	ALA	0	0.019	0.011	35.673	0.003	0.003	0.000	0.000	0.000	0.000
394	A	461	GLN	0	0.009	-0.004	37.008	0.001	0.001	0.000	0.000	0.000	0.000
395	A	462	ASP	-1	-0.782	-0.901	40.497	-0.029	-0.029	0.000	0.000	0.000	0.000
396	A	463	PRO	0	0.020	0.026	40.680	0.001	0.001	0.000	0.000	0.000	0.000
397	A	464	TYR	0	-0.013	-0.008	42.314	-0.001	-0.001	0.000	0.000	0.000	0.000
398	A	465	TYR	0	-0.022	-0.017	41.583	0.002	0.002	0.000	0.000	0.000	0.000
399	A	466	ILE	0	0.042	0.026	46.723	0.003	0.003	0.000	0.000	0.000	0.000
400	A	467	LEU	0	-0.002	-0.011	46.396	0.002	0.002	0.000	0.000	0.000	0.000
401	A	468	PRO	0	0.018	0.014	46.690	0.002	0.002	0.000	0.000	0.000	0.000
402	A	469	ILE	0	0.032	0.023	49.510	0.002	0.002	0.000	0.000	0.000	0.000
403	A	470	LEU	0	-0.023	-0.019	52.066	0.001	0.001	0.000	0.000	0.000	0.000
404	A	471	MET	0	0.006	0.008	51.293	0.002	0.002	0.000	0.000	0.000	0.000
405	A	472	GLY	0	0.018	0.030	53.251	0.002	0.002	0.000	0.000	0.000	0.000
406	A	473	VAL	0	-0.001	-0.007	55.161	0.001	0.001	0.000	0.000	0.000	0.000
407	A	474	THR	0	-0.080	-0.054	55.887	0.001	0.001	0.000	0.000	0.000	0.000
408	A	475	MET	0	-0.005	0.005	56.044	0.001	0.001	0.000	0.000	0.000	0.000
409	A	476	PHE	0	-0.060	-0.032	58.227	0.001	0.001	0.000	0.000	0.000	0.000
410	A	477	PHE	0	-0.010	-0.010	61.027	0.000	0.000	0.000	0.000	0.000	0.000
411	A	478	ILE	0	-0.071	-0.008	59.031	0.001	0.001	0.000	0.000	0.000	0.000
412	A	479	GLN	0	-0.060	-0.024	63.297	0.000	0.000	0.000	0.000	0.000	0.000
413	A	493	LYS	1	0.974	0.994	63.426	0.002	0.002	0.000	0.000	0.000	0.000
414	A	494	ILE	0	0.067	0.034	59.859	-0.001	-0.001	0.000	0.000	0.000	0.000
415	A	495	MET	0	0.038	0.015	60.140	0.000	0.000	0.000	0.000	0.000	0.000
416	A	496	THR	0	-0.087	-0.060	61.830	-0.001	-0.001	0.000	0.000	0.000	0.000
417	A	497	PHE	0	0.063	0.005	58.272	-0.001	-0.001	0.000	0.000	0.000	0.000
418	A	498	MET	0	-0.022	-0.016	55.671	0.000	0.000	0.000	0.000	0.000	0.000
419	A	499	PRO	0	0.054	0.033	55.600	0.000	0.000	0.000	0.000	0.000	0.000
420	A	500	VAL	0	0.057	0.038	54.819	-0.001	-0.001	0.000	0.000	0.000	0.000
421	A	501	ILE	0	-0.036	-0.014	51.998	-0.001	-0.001	0.000	0.000	0.000	0.000
422	A	502	PHE	0	0.044	0.005	50.972	0.000	0.000	0.000	0.000	0.000	0.000
423	A	503	THR	0	0.005	0.016	49.864	0.000	0.000	0.000	0.000	0.000	0.000
424	A	504	VAL	0	0.018	-0.005	48.243	-0.001	-0.001	0.000	0.000	0.000	0.000
425	A	505	PHE	0	-0.051	-0.017	46.061	0.000	0.000	0.000	0.000	0.000	0.000
426	A	506	PHE	0	0.000	-0.023	45.495	0.001	0.001	0.000	0.000	0.000	0.000
427	A	507	LEU	0	-0.033	-0.005	44.776	-0.001	-0.001	0.000	0.000	0.000	0.000
428	A	508	TRP	0	-0.038	-0.004	37.991	-0.003	-0.003	0.000	0.000	0.000	0.000
429	A	509	PHE	0	-0.022	-0.016	40.411	0.003	0.003	0.000	0.000	0.000	0.000
430	A	510	PRO	0	0.015	0.009	38.083	-0.002	-0.002	0.000	0.000	0.000	0.000
431	A	511	SER	0	0.025	0.014	40.494	0.003	0.003	0.000	0.000	0.000	0.000
432	A	512	GLY	0	0.050	0.027	41.773	0.001	0.001	0.000	0.000	0.000	0.000
433	A	513	LEU	0	-0.012	0.001	42.402	0.002	0.002	0.000	0.000	0.000	0.000
434	A	514	VAL	0	0.014	0.006	44.478	0.001	0.001	0.000	0.000	0.000	0.000
435	A	515	LEU	0	-0.011	-0.006	46.002	0.001	0.001	0.000	0.000	0.000	0.000
436	A	516	TYR	0	0.002	-0.001	46.877	0.001	0.001	0.000	0.000	0.000	0.000
437	A	517	TYR	0	0.022	-0.007	47.270	0.001	0.001	0.000	0.000	0.000	0.000
438	A	518	ILE	0	0.009	0.024	50.222	0.001	0.001	0.000	0.000	0.000	0.000
439	A	519	VAL	0	0.025	0.019	51.249	0.000	0.000	0.000	0.000	0.000	0.000
440	A	520	SER	0	-0.033	-0.029	52.807	0.001	0.001	0.000	0.000	0.000	0.000
441	A	521	ASN	0	-0.018	-0.030	54.534	0.000	0.000	0.000	0.000	0.000	0.000
442	A	522	LEU	0	0.048	0.025	55.608	0.000	0.000	0.000	0.000	0.000	0.000
443	A	523	VAL	0	-0.035	0.000	56.455	0.000	0.000	0.000	0.000	0.000	0.000
444	A	524	THR	0	-0.059	-0.036	59.284	0.001	0.001	0.000	0.000	0.000	0.000
445	A	525	ILE	0	0.047	0.029	60.357	0.000	0.000	0.000	0.000	0.000	0.000
446	A	526	ILE	0	-0.066	-0.037	60.778	0.000	0.000	0.000	0.000	0.000	0.000
447	A	527	GLN	0	-0.115	-0.044	63.291	0.000	0.000	0.000	0.000	0.000	0.000
448	A	528	GLN	0	-0.007	0.008	64.512	0.000	0.000	0.000	0.000	0.000	0.000

Top

Graph

Overview

Highlights

Manual

Support

Interactive mode: IFIE and PIEDA for fragment #1(A:56:GLY)