FMO DATABASE

FMODB ID: ZV97N

Calculation Name: 4I5S-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 4I5S

Chain ID: A

ChEMBL ID:

UniProt ID: Q8DT64

Base Structure: X-ray

Registration Date: 2023-09-23

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	389
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-5525972.205212
FMO2-HF: Nuclear repulsion	5370600.345583
FMO2-HF: Total energy	-155371.859628
FMO2-MP2: Total energy	-155827.966442

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:37:ASN)

Summations of interaction energy for fragment #1(A:37:ASN)

IFIE [kcal/mol]	PIEDA [kcal/mol]				Charge transfer value [e]
IFIE SUMIFIE SUM at MP2 level.	ESElectro static interaction energy.	EXExchange-repulsion energy.	CT+mixCharge transfer and mixing terms energy.	DI(MP2)Dispersion energy.	q(I=>J)Charge transfer value from I to J fragments.
-23.952	-17.451	5.802	-4.964	-7.34	0.005

Interaction energy analysis for fragmet #1(A:37:ASN)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.038 / q_NPA : 0.010

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	39	ASN	0	-0.052	-0.020	2.799	-7.783	-4.277	0.646	-1.771	-2.382	0.017
4	A	40	GLN	0	0.110	0.044	1.946	-11.382	-9.275	5.127	-3.066	-4.169	-0.011
5	A	41	VAL	0	0.075	0.045	3.429	0.099	0.490	0.024	-0.053	-0.361	-0.001
6	A	42	LYS	1	0.963	0.990	6.038	-0.856	-0.856	0.000	0.000	0.000	0.000
7	A	43	GLN	0	-0.008	-0.007	6.491	-0.429	-0.429	0.000	0.000	0.000	0.000
8	A	44	LEU	0	0.049	0.034	7.433	0.156	0.156	0.000	0.000	0.000	0.000
9	A	45	ASN	0	-0.026	-0.023	9.378	0.299	0.299	0.000	0.000	0.000	0.000
10	A	46	ALA	0	-0.024	-0.006	10.993	0.124	0.124	0.000	0.000	0.000	0.000
11	A	47	LYS	1	0.862	0.949	12.036	0.969	0.969	0.000	0.000	0.000	0.000
12	A	48	VAL	0	0.041	0.008	13.360	0.085	0.085	0.000	0.000	0.000	0.000
13	A	49	ARG	1	0.922	0.968	15.248	0.383	0.383	0.000	0.000	0.000	0.000
14	A	50	SER	0	-0.034	-0.021	16.364	0.084	0.084	0.000	0.000	0.000	0.000
15	A	51	LEU	0	0.013	-0.007	17.545	0.032	0.032	0.000	0.000	0.000	0.000
16	A	52	ILE	0	-0.053	-0.007	18.755	0.043	0.043	0.000	0.000	0.000	0.000
17	A	53	THR	0	-0.083	-0.038	21.546	0.027	0.027	0.000	0.000	0.000	0.000
18	A	54	GLY	0	0.015	0.010	23.299	0.032	0.032	0.000	0.000	0.000	0.000
19	A	55	HIS	0	-0.040	-0.004	19.860	0.016	0.016	0.000	0.000	0.000	0.000
20	A	56	TYR	0	0.026	-0.003	20.540	-0.030	-0.030	0.000	0.000	0.000	0.000
21	A	57	THR	0	0.002	-0.016	16.019	0.046	0.046	0.000	0.000	0.000	0.000
22	A	58	ASP	-1	-0.876	-0.914	17.040	-0.538	-0.538	0.000	0.000	0.000	0.000
23	A	59	LYS	1	0.739	0.845	14.940	0.833	0.833	0.000	0.000	0.000	0.000
24	A	60	LEU	0	-0.023	-0.009	9.050	0.074	0.074	0.000	0.000	0.000	0.000
25	A	61	LYS	1	0.860	0.916	9.459	1.384	1.384	0.000	0.000	0.000	0.000
26	A	62	VAL	0	0.002	0.000	8.516	-0.514	-0.514	0.000	0.000	0.000	0.000
27	A	63	GLU	-1	-0.883	-0.931	4.796	-1.822	-1.785	-0.001	-0.001	-0.034	0.000
28	A	64	ASP	-1	-0.838	-0.907	4.690	-1.668	-1.614	-0.001	-0.002	-0.051	0.000
29	A	65	ASN	0	-0.064	-0.038	6.500	-0.073	-0.073	0.000	0.000	0.000	0.000
30	A	66	SER	0	-0.039	-0.049	4.478	-0.690	-0.588	-0.001	-0.010	-0.091	0.000
31	A	67	ASP	-1	-0.878	-0.930	6.582	-1.784	-1.784	0.000	0.000	0.000	0.000
32	A	68	LEU	0	0.030	0.010	3.617	-0.133	0.171	0.008	-0.061	-0.252	0.000
33	A	69	SER	0	-0.039	-0.015	6.047	-0.799	-0.799	0.000	0.000	0.000	0.000
34	A	70	GLU	-1	-0.830	-0.898	7.287	-0.943	-0.943	0.000	0.000	0.000	0.000
35	A	71	LEU	0	0.026	0.012	9.288	0.327	0.327	0.000	0.000	0.000	0.000
36	A	72	VAL	0	-0.060	-0.049	6.888	0.320	0.320	0.000	0.000	0.000	0.000
37	A	73	ASN	0	-0.030	-0.015	10.055	0.375	0.375	0.000	0.000	0.000	0.000
38	A	74	ASN	0	-0.017	-0.009	12.795	0.333	0.333	0.000	0.000	0.000	0.000
39	A	75	VAL	0	-0.009	-0.003	12.695	0.207	0.207	0.000	0.000	0.000	0.000
40	A	76	ASN	0	-0.040	-0.019	12.417	0.262	0.262	0.000	0.000	0.000	0.000
41	A	77	ASP	-1	-0.775	-0.895	15.712	-0.872	-0.872	0.000	0.000	0.000	0.000
42	A	78	LEU	0	-0.020	0.011	17.747	0.114	0.114	0.000	0.000	0.000	0.000
43	A	79	SER	0	-0.040	-0.044	18.098	0.109	0.109	0.000	0.000	0.000	0.000
44	A	80	GLU	-1	-0.783	-0.896	18.676	-0.703	-0.703	0.000	0.000	0.000	0.000
45	A	81	VAL	0	-0.009	0.007	21.921	0.070	0.070	0.000	0.000	0.000	0.000
46	A	82	PHE	0	0.012	-0.002	23.174	0.053	0.053	0.000	0.000	0.000	0.000
47	A	83	ARG	1	0.847	0.912	23.804	0.407	0.407	0.000	0.000	0.000	0.000
48	A	84	LEU	0	-0.004	0.005	25.575	0.042	0.042	0.000	0.000	0.000	0.000
49	A	85	THR	0	-0.021	-0.023	27.852	0.025	0.025	0.000	0.000	0.000	0.000
50	A	86	HIS	0	-0.019	0.004	28.151	0.028	0.028	0.000	0.000	0.000	0.000
51	A	87	GLU	-1	-0.805	-0.892	28.991	-0.263	-0.263	0.000	0.000	0.000	0.000
52	A	88	ASN	0	-0.057	-0.034	31.536	0.038	0.038	0.000	0.000	0.000	0.000
53	A	89	LEU	0	0.015	0.026	33.243	0.020	0.020	0.000	0.000	0.000	0.000
54	A	90	ALA	0	0.002	-0.010	34.092	0.019	0.019	0.000	0.000	0.000	0.000
55	A	91	GLN	0	0.019	0.022	35.518	0.028	0.028	0.000	0.000	0.000	0.000
56	A	92	GLU	-1	-0.928	-0.973	37.399	-0.200	-0.200	0.000	0.000	0.000	0.000
57	A	93	LYS	1	0.977	0.994	38.523	0.187	0.187	0.000	0.000	0.000	0.000
58	A	94	ASN	0	-0.022	-0.034	37.805	0.015	0.015	0.000	0.000	0.000	0.000
59	A	95	ARG	1	0.928	0.967	40.047	0.201	0.201	0.000	0.000	0.000	0.000
60	A	96	LEU	0	0.005	0.012	43.466	0.009	0.009	0.000	0.000	0.000	0.000
61	A	97	THR	0	-0.012	-0.016	43.052	0.008	0.008	0.000	0.000	0.000	0.000
62	A	98	SER	0	-0.058	-0.006	45.030	0.007	0.007	0.000	0.000	0.000	0.000
63	A	99	ILE	0	0.018	0.002	46.788	0.006	0.006	0.000	0.000	0.000	0.000
64	A	100	LEU	0	-0.012	-0.017	48.153	0.005	0.005	0.000	0.000	0.000	0.000
65	A	101	SER	0	-0.063	-0.026	48.785	0.006	0.006	0.000	0.000	0.000	0.000
66	A	102	TYR	0	-0.057	-0.042	48.201	0.003	0.003	0.000	0.000	0.000	0.000
67	A	103	MET	0	-0.062	-0.005	52.674	0.002	0.002	0.000	0.000	0.000	0.000
68	A	104	THR	0	-0.002	-0.016	54.972	0.001	0.001	0.000	0.000	0.000	0.000
69	A	105	ASP	-1	-0.842	-0.890	58.679	-0.077	-0.077	0.000	0.000	0.000	0.000
70	A	106	GLY	0	0.046	0.026	57.878	-0.003	-0.003	0.000	0.000	0.000	0.000
71	A	107	VAL	0	-0.059	-0.041	54.344	0.000	0.000	0.000	0.000	0.000	0.000
72	A	108	LEU	0	0.016	0.007	54.696	-0.002	-0.002	0.000	0.000	0.000	0.000
73	A	109	ALA	0	0.008	0.000	52.363	0.000	0.000	0.000	0.000	0.000	0.000
74	A	110	THR	0	0.036	0.049	53.549	0.000	0.000	0.000	0.000	0.000	0.000
75	A	111	ASP	-1	-0.776	-0.885	51.994	-0.094	-0.094	0.000	0.000	0.000	0.000
76	A	112	ARG	1	0.925	0.943	51.933	0.100	0.100	0.000	0.000	0.000	0.000
77	A	113	SER	0	-0.109	-0.031	55.331	0.004	0.004	0.000	0.000	0.000	0.000
78	A	114	GLY	0	0.040	-0.001	56.273	0.003	0.003	0.000	0.000	0.000	0.000
79	A	115	LYS	1	0.809	0.902	51.775	0.084	0.084	0.000	0.000	0.000	0.000
80	A	116	ILE	0	-0.006	-0.007	53.871	-0.005	-0.005	0.000	0.000	0.000	0.000
81	A	117	THR	0	-0.083	-0.049	49.578	-0.003	-0.003	0.000	0.000	0.000	0.000
82	A	118	VAL	0	-0.088	-0.061	48.541	-0.004	-0.004	0.000	0.000	0.000	0.000
83	A	119	ILE	0	0.074	0.023	51.035	0.002	0.002	0.000	0.000	0.000	0.000
84	A	120	ASN	0	0.024	0.018	51.899	0.002	0.002	0.000	0.000	0.000	0.000
85	A	121	ASP	-1	-0.825	-0.918	51.186	-0.092	-0.092	0.000	0.000	0.000	0.000
86	A	122	MET	0	-0.063	-0.009	54.072	0.005	0.005	0.000	0.000	0.000	0.000
87	A	123	ALA	0	0.077	0.026	56.615	0.003	0.003	0.000	0.000	0.000	0.000
88	A	124	GLN	0	-0.061	-0.030	52.134	0.004	0.004	0.000	0.000	0.000	0.000
89	A	125	LYS	1	0.932	0.963	55.376	0.081	0.081	0.000	0.000	0.000	0.000
90	A	126	GLN	0	0.021	0.002	59.863	0.001	0.001	0.000	0.000	0.000	0.000
91	A	127	LEU	0	-0.031	-0.028	59.650	0.002	0.002	0.000	0.000	0.000	0.000
92	A	128	ASN	0	-0.037	0.007	61.606	0.001	0.001	0.000	0.000	0.000	0.000
93	A	129	VAL	0	-0.031	-0.007	57.260	0.001	0.001	0.000	0.000	0.000	0.000
94	A	130	THR	0	0.037	-0.001	53.586	-0.002	-0.002	0.000	0.000	0.000	0.000
95	A	131	ARG	1	0.927	0.952	48.034	0.102	0.102	0.000	0.000	0.000	0.000
96	A	132	GLU	-1	-0.939	-0.957	50.385	-0.071	-0.071	0.000	0.000	0.000	0.000
97	A	133	GLN	0	0.002	-0.005	52.304	-0.001	-0.001	0.000	0.000	0.000	0.000
98	A	134	ALA	0	0.036	0.029	54.504	0.001	0.001	0.000	0.000	0.000	0.000
99	A	135	LEU	0	-0.066	-0.035	48.824	-0.002	-0.002	0.000	0.000	0.000	0.000
100	A	136	GLU	-1	-0.882	-0.913	52.186	-0.079	-0.079	0.000	0.000	0.000	0.000
101	A	137	CYS	0	-0.012	-0.007	55.081	0.003	0.003	0.000	0.000	0.000	0.000
102	A	138	ASN	0	-0.052	-0.042	57.292	-0.004	-0.004	0.000	0.000	0.000	0.000
103	A	139	ILE	0	0.001	0.019	59.390	0.002	0.002	0.000	0.000	0.000	0.000
104	A	140	LEU	0	0.003	-0.012	61.489	0.002	0.002	0.000	0.000	0.000	0.000
105	A	141	ASP	-1	-0.789	-0.880	61.602	-0.061	-0.061	0.000	0.000	0.000	0.000
106	A	142	ILE	0	-0.110	-0.062	62.149	0.001	0.001	0.000	0.000	0.000	0.000
107	A	143	LEU	0	-0.087	-0.044	66.002	0.001	0.001	0.000	0.000	0.000	0.000
108	A	144	ASP	-1	-0.903	-0.938	68.188	-0.050	-0.050	0.000	0.000	0.000	0.000
109	A	145	ASP	-1	-0.895	-0.954	69.890	-0.050	-0.050	0.000	0.000	0.000	0.000
110	A	146	ASP	-1	-1.005	-0.987	71.190	-0.048	-0.048	0.000	0.000	0.000	0.000
111	A	147	SER	0	-0.015	0.001	68.485	0.000	0.000	0.000	0.000	0.000	0.000
112	A	148	TYR	0	-0.010	-0.018	65.108	-0.001	-0.001	0.000	0.000	0.000	0.000
113	A	149	THR	0	0.094	0.049	60.831	0.000	0.000	0.000	0.000	0.000	0.000
114	A	150	TYR	0	-0.037	-0.026	62.403	-0.003	-0.003	0.000	0.000	0.000	0.000
115	A	151	ASN	0	0.032	0.012	65.258	0.000	0.000	0.000	0.000	0.000	0.000
116	A	152	ASP	-1	-0.821	-0.900	63.918	-0.068	-0.068	0.000	0.000	0.000	0.000
117	A	153	LEU	0	-0.081	-0.049	59.045	-0.002	-0.002	0.000	0.000	0.000	0.000
118	A	154	ILE	0	-0.078	-0.026	63.067	-0.002	-0.002	0.000	0.000	0.000	0.000
119	A	155	THR	0	-0.054	-0.047	66.091	-0.001	-0.001	0.000	0.000	0.000	0.000
120	A	156	LYS	1	0.838	0.930	63.537	0.073	0.073	0.000	0.000	0.000	0.000
121	A	157	THR	0	0.032	0.024	65.163	0.000	0.000	0.000	0.000	0.000	0.000
122	A	158	PRO	0	-0.060	-0.046	66.404	-0.002	-0.002	0.000	0.000	0.000	0.000
123	A	159	GLU	-1	-0.885	-0.951	67.577	-0.061	-0.061	0.000	0.000	0.000	0.000
124	A	160	ILE	0	0.002	-0.020	68.902	-0.002	-0.002	0.000	0.000	0.000	0.000
125	A	161	VAL	0	0.083	0.073	67.578	0.002	0.002	0.000	0.000	0.000	0.000
126	A	162	LEU	0	0.000	-0.013	70.463	0.000	0.000	0.000	0.000	0.000	0.000
127	A	163	THR	0	-0.036	-0.035	68.831	0.000	0.000	0.000	0.000	0.000	0.000
128	A	164	ARG	1	0.927	0.961	70.781	0.042	0.042	0.000	0.000	0.000	0.000
129	A	165	ARG	1	0.851	0.952	63.685	0.059	0.059	0.000	0.000	0.000	0.000
130	A	166	ASP	-1	-0.838	-0.930	65.872	-0.056	-0.056	0.000	0.000	0.000	0.000
131	A	167	GLU	-1	-0.953	-0.985	65.757	-0.047	-0.047	0.000	0.000	0.000	0.000
132	A	168	TYR	0	-0.058	-0.021	68.800	0.002	0.002	0.000	0.000	0.000	0.000
133	A	169	ASP	-1	-0.851	-0.934	72.413	-0.039	-0.039	0.000	0.000	0.000	0.000
134	A	170	GLU	-1	-1.002	-0.981	70.364	-0.048	-0.048	0.000	0.000	0.000	0.000
135	A	171	PHE	0	-0.031	-0.020	71.664	0.000	0.000	0.000	0.000	0.000	0.000
136	A	172	ILE	0	0.038	0.022	65.937	-0.001	-0.001	0.000	0.000	0.000	0.000
137	A	173	THR	0	-0.043	-0.022	70.244	0.001	0.001	0.000	0.000	0.000	0.000
138	A	174	LEU	0	0.029	0.022	64.592	-0.002	-0.002	0.000	0.000	0.000	0.000
139	A	175	ARG	1	0.902	0.957	67.513	0.062	0.062	0.000	0.000	0.000	0.000
140	A	176	ILE	0	0.045	0.020	63.010	-0.003	-0.003	0.000	0.000	0.000	0.000
141	A	177	ARG	1	0.897	0.962	63.455	0.074	0.074	0.000	0.000	0.000	0.000
142	A	178	PHE	0	0.027	0.022	61.041	-0.004	-0.004	0.000	0.000	0.000	0.000
143	A	179	ALA	0	-0.027	-0.015	58.779	0.000	0.000	0.000	0.000	0.000	0.000
144	A	180	LEU	0	-0.020	-0.009	57.908	-0.001	-0.001	0.000	0.000	0.000	0.000
145	A	181	ASN	0	0.000	0.000	51.309	-0.006	-0.006	0.000	0.000	0.000	0.000
146	A	182	ARG	1	0.905	0.953	52.764	0.090	0.090	0.000	0.000	0.000	0.000
147	A	183	ARG	1	0.881	0.919	45.615	0.142	0.142	0.000	0.000	0.000	0.000
148	A	184	GLU	-1	-0.777	-0.856	47.979	-0.139	-0.139	0.000	0.000	0.000	0.000
149	A	185	SER	0	-0.027	-0.015	50.978	0.004	0.004	0.000	0.000	0.000	0.000
150	A	186	GLY	0	-0.024	-0.013	52.783	0.004	0.004	0.000	0.000	0.000	0.000
151	A	187	PHE	0	-0.030	-0.023	50.419	0.005	0.005	0.000	0.000	0.000	0.000
152	A	188	ILE	0	0.030	0.018	53.559	-0.003	-0.003	0.000	0.000	0.000	0.000
153	A	189	SER	0	-0.019	-0.020	50.322	0.000	0.000	0.000	0.000	0.000	0.000
154	A	190	GLY	0	0.009	-0.012	52.283	0.000	0.000	0.000	0.000	0.000	0.000
155	A	191	LEU	0	-0.011	0.004	54.845	-0.001	-0.001	0.000	0.000	0.000	0.000
156	A	192	ILE	0	-0.038	-0.022	53.492	-0.003	-0.003	0.000	0.000	0.000	0.000
157	A	193	ALA	0	0.031	0.027	57.009	0.002	0.002	0.000	0.000	0.000	0.000
158	A	194	VAL	0	-0.015	-0.013	58.379	-0.003	-0.003	0.000	0.000	0.000	0.000
159	A	195	LEU	0	0.022	0.006	59.742	0.002	0.002	0.000	0.000	0.000	0.000
160	A	196	HIS	0	-0.063	-0.047	62.507	-0.001	-0.001	0.000	0.000	0.000	0.000
161	A	197	ASP	-1	-0.774	-0.903	64.884	-0.058	-0.058	0.000	0.000	0.000	0.000
162	A	198	ALA	0	-0.042	-0.021	66.872	0.000	0.000	0.000	0.000	0.000	0.000
163	A	199	THR	0	0.029	0.006	69.871	0.003	0.003	0.000	0.000	0.000	0.000
164	A	200	GLU	-1	-0.923	-0.932	71.853	-0.052	-0.052	0.000	0.000	0.000	0.000
165	A	201	GLN	0	-0.056	-0.052	72.385	0.000	0.000	0.000	0.000	0.000	0.000
166	A	202	GLU	-1	-0.939	-0.966	74.681	-0.046	-0.046	0.000	0.000	0.000	0.000
167	A	203	LYS	1	0.895	0.948	73.617	0.050	0.050	0.000	0.000	0.000	0.000
168	A	204	GLU	-1	-0.859	-0.934	76.924	-0.049	-0.049	0.000	0.000	0.000	0.000
169	A	205	GLU	-1	-0.871	-0.914	79.444	-0.043	-0.043	0.000	0.000	0.000	0.000
170	A	206	ARG	1	0.854	0.903	79.322	0.042	0.042	0.000	0.000	0.000	0.000
171	A	207	GLU	-1	-0.826	-0.898	82.360	-0.037	-0.037	0.000	0.000	0.000	0.000
172	A	208	ARG	1	0.902	0.953	79.954	0.047	0.047	0.000	0.000	0.000	0.000
173	A	209	ARG	1	0.865	0.920	81.447	0.044	0.044	0.000	0.000	0.000	0.000
174	A	210	LEU	0	0.010	-0.006	86.611	0.001	0.001	0.000	0.000	0.000	0.000
175	A	211	PHE	0	-0.023	-0.006	88.459	0.001	0.001	0.000	0.000	0.000	0.000
176	A	212	VAL	0	0.021	0.007	90.079	0.001	0.001	0.000	0.000	0.000	0.000
177	A	213	SER	0	0.015	0.008	91.194	0.001	0.001	0.000	0.000	0.000	0.000
178	A	214	ASN	0	0.046	0.026	91.622	0.002	0.002	0.000	0.000	0.000	0.000
179	A	215	VAL	0	0.029	0.023	94.498	0.001	0.001	0.000	0.000	0.000	0.000
180	A	216	SER	0	-0.072	-0.035	95.706	0.001	0.001	0.000	0.000	0.000	0.000
181	A	217	HIS	0	-0.081	-0.062	95.212	0.001	0.001	0.000	0.000	0.000	0.000
182	A	218	GLU	-1	-0.807	-0.878	97.412	-0.027	-0.027	0.000	0.000	0.000	0.000
183	A	219	LEU	0	0.041	0.021	100.125	0.001	0.001	0.000	0.000	0.000	0.000
184	A	220	ARG	1	0.928	0.973	101.694	0.028	0.028	0.000	0.000	0.000	0.000
185	A	221	THR	0	0.055	0.007	104.189	0.000	0.000	0.000	0.000	0.000	0.000
186	A	222	PRO	0	0.060	0.049	105.046	0.000	0.000	0.000	0.000	0.000	0.000
187	A	223	LEU	0	-0.001	-0.002	105.112	0.000	0.000	0.000	0.000	0.000	0.000
188	A	224	THR	0	-0.072	-0.056	107.992	0.000	0.000	0.000	0.000	0.000	0.000
189	A	225	SER	0	0.036	0.026	110.294	0.001	0.001	0.000	0.000	0.000	0.000
190	A	226	VAL	0	-0.011	-0.011	110.544	0.000	0.000	0.000	0.000	0.000	0.000
191	A	227	LYS	1	0.796	0.886	111.720	0.024	0.024	0.000	0.000	0.000	0.000
192	A	228	SER	0	0.066	0.023	113.715	0.000	0.000	0.000	0.000	0.000	0.000
193	A	229	TYR	0	0.017	0.008	115.371	0.000	0.000	0.000	0.000	0.000	0.000
194	A	230	LEU	0	-0.029	-0.029	114.619	0.000	0.000	0.000	0.000	0.000	0.000
195	A	231	GLU	-1	-0.855	-0.892	116.322	-0.023	-0.023	0.000	0.000	0.000	0.000
196	A	232	ALA	0	0.018	0.013	119.052	0.000	0.000	0.000	0.000	0.000	0.000
197	A	233	LEU	0	-0.050	-0.018	121.228	0.000	0.000	0.000	0.000	0.000	0.000
198	A	234	ASP	-1	-0.974	-0.984	121.046	-0.021	-0.021	0.000	0.000	0.000	0.000
199	A	235	ASP	-1	-1.038	-1.013	123.022	-0.019	-0.019	0.000	0.000	0.000	0.000
200	A	236	GLY	0	0.012	0.006	126.378	0.000	0.000	0.000	0.000	0.000	0.000
201	A	237	ALA	0	-0.012	-0.010	125.442	0.000	0.000	0.000	0.000	0.000	0.000
202	A	238	LEU	0	-0.078	-0.031	126.598	0.000	0.000	0.000	0.000	0.000	0.000
203	A	239	THR	0	0.079	0.012	129.255	0.000	0.000	0.000	0.000	0.000	0.000
204	A	240	GLU	-1	-0.863	-0.909	129.056	-0.017	-0.017	0.000	0.000	0.000	0.000
205	A	241	SER	0	-0.076	-0.053	129.404	0.000	0.000	0.000	0.000	0.000	0.000
206	A	242	VAL	0	0.012	0.001	124.734	0.000	0.000	0.000	0.000	0.000	0.000
207	A	243	ALA	0	0.060	0.044	124.603	0.000	0.000	0.000	0.000	0.000	0.000
208	A	244	PRO	0	-0.032	-0.012	123.479	0.000	0.000	0.000	0.000	0.000	0.000
209	A	245	SER	0	-0.078	-0.043	121.765	0.000	0.000	0.000	0.000	0.000	0.000
210	A	246	PHE	0	0.093	0.051	120.001	0.000	0.000	0.000	0.000	0.000	0.000
211	A	247	ILE	0	0.038	0.022	118.555	0.000	0.000	0.000	0.000	0.000	0.000
212	A	248	LYS	1	0.909	0.950	117.285	0.020	0.020	0.000	0.000	0.000	0.000
213	A	249	VAL	0	0.056	0.038	114.870	0.000	0.000	0.000	0.000	0.000	0.000
214	A	250	SER	0	0.009	-0.002	113.932	0.000	0.000	0.000	0.000	0.000	0.000
215	A	251	LEU	0	-0.048	-0.023	112.444	-0.001	-0.001	0.000	0.000	0.000	0.000
216	A	252	ASP	-1	-0.884	-0.949	111.414	-0.023	-0.023	0.000	0.000	0.000	0.000
217	A	253	GLU	-1	-0.694	-0.822	108.976	-0.024	-0.024	0.000	0.000	0.000	0.000
218	A	254	THR	0	-0.061	-0.039	107.999	-0.001	-0.001	0.000	0.000	0.000	0.000
219	A	255	ASN	0	-0.034	-0.028	106.731	-0.001	-0.001	0.000	0.000	0.000	0.000
220	A	256	ARG	1	0.798	0.898	104.866	0.024	0.024	0.000	0.000	0.000	0.000
221	A	257	MET	0	-0.030	-0.011	103.704	-0.001	-0.001	0.000	0.000	0.000	0.000
222	A	258	MET	0	-0.035	-0.005	102.095	-0.001	-0.001	0.000	0.000	0.000	0.000
223	A	259	ARG	1	0.837	0.885	100.687	0.024	0.024	0.000	0.000	0.000	0.000
224	A	260	MET	0	0.008	0.025	99.418	-0.001	-0.001	0.000	0.000	0.000	0.000
225	A	261	ILE	0	-0.014	-0.006	96.808	-0.001	-0.001	0.000	0.000	0.000	0.000
226	A	262	THR	0	-0.015	-0.011	95.819	-0.001	-0.001	0.000	0.000	0.000	0.000
227	A	263	ASP	-1	-0.790	-0.873	94.524	-0.030	-0.030	0.000	0.000	0.000	0.000
228	A	264	LEU	0	0.019	0.002	93.438	-0.001	-0.001	0.000	0.000	0.000	0.000
229	A	265	LEU	0	-0.014	0.006	91.082	-0.001	-0.001	0.000	0.000	0.000	0.000
230	A	266	SER	0	-0.132	-0.090	89.766	-0.001	-0.001	0.000	0.000	0.000	0.000
231	A	267	LEU	0	-0.007	-0.009	88.895	0.000	0.000	0.000	0.000	0.000	0.000
232	A	268	SER	0	0.038	-0.005	86.135	0.000	0.000	0.000	0.000	0.000	0.000
233	A	269	ARG	1	0.760	0.893	85.041	0.035	0.035	0.000	0.000	0.000	0.000
234	A	270	ILE	0	0.027	-0.004	80.474	-0.001	-0.001	0.000	0.000	0.000	0.000
235	A	271	ASP	-1	-0.779	-0.867	82.322	-0.036	-0.036	0.000	0.000	0.000	0.000
236	A	272	ASN	0	-0.024	0.000	81.815	0.000	0.000	0.000	0.000	0.000	0.000
237	A	273	GLN	0	-0.022	-0.004	84.197	0.000	0.000	0.000	0.000	0.000	0.000
238	A	274	THR	0	-0.022	0.006	87.082	0.000	0.000	0.000	0.000	0.000	0.000
239	A	275	SER	0	-0.004	0.014	89.651	0.001	0.001	0.000	0.000	0.000	0.000
240	A	276	HIS	1	0.843	0.891	93.153	0.030	0.030	0.000	0.000	0.000	0.000
241	A	277	LEU	0	-0.049	0.002	96.091	0.000	0.000	0.000	0.000	0.000	0.000
242	A	278	ASP	-1	-0.914	-0.947	99.070	-0.024	-0.024	0.000	0.000	0.000	0.000
243	A	279	VAL	0	-0.049	-0.026	102.594	0.000	0.000	0.000	0.000	0.000	0.000
244	A	280	GLU	-1	-0.856	-0.906	105.452	-0.021	-0.021	0.000	0.000	0.000	0.000
245	A	281	LEU	0	-0.021	-0.008	109.210	0.000	0.000	0.000	0.000	0.000	0.000
246	A	282	THR	0	0.012	-0.002	110.922	0.000	0.000	0.000	0.000	0.000	0.000
247	A	283	ASN	0	0.005	-0.018	113.678	0.000	0.000	0.000	0.000	0.000	0.000
248	A	284	PHE	0	0.085	0.011	108.836	0.000	0.000	0.000	0.000	0.000	0.000
249	A	285	THR	0	-0.011	-0.011	114.212	0.000	0.000	0.000	0.000	0.000	0.000
250	A	286	ALA	0	0.028	0.015	117.042	0.000	0.000	0.000	0.000	0.000	0.000
251	A	287	PHE	0	-0.030	-0.008	108.378	0.000	0.000	0.000	0.000	0.000	0.000
252	A	288	MET	0	0.048	0.020	110.347	0.000	0.000	0.000	0.000	0.000	0.000
253	A	289	ASN	0	-0.019	-0.023	114.315	0.000	0.000	0.000	0.000	0.000	0.000
254	A	290	TYR	0	-0.023	0.004	113.030	0.000	0.000	0.000	0.000	0.000	0.000
255	A	291	ILE	0	-0.025	-0.030	109.565	0.000	0.000	0.000	0.000	0.000	0.000
256	A	292	LEU	0	0.004	-0.016	113.127	0.000	0.000	0.000	0.000	0.000	0.000
257	A	293	ASP	-1	-0.886	-0.931	115.132	-0.019	-0.019	0.000	0.000	0.000	0.000
258	A	294	ARG	1	0.675	0.816	108.850	0.023	0.023	0.000	0.000	0.000	0.000
259	A	295	PHE	0	-0.041	-0.028	108.335	0.000	0.000	0.000	0.000	0.000	0.000
260	A	296	ASP	-1	-0.874	-0.932	114.371	-0.019	-0.019	0.000	0.000	0.000	0.000
261	A	297	GLN	0	-0.066	-0.028	117.787	0.000	0.000	0.000	0.000	0.000	0.000
262	A	298	ILE	0	-0.058	-0.023	111.615	0.000	0.000	0.000	0.000	0.000	0.000
263	A	299	GLN	0	-0.087	-0.068	115.542	0.000	0.000	0.000	0.000	0.000	0.000
264	A	300	SER	0	-0.110	-0.046	117.075	0.000	0.000	0.000	0.000	0.000	0.000
265	A	301	GLN	0	-0.029	-0.019	117.619	0.000	0.000	0.000	0.000	0.000	0.000
266	A	302	GLN	0	0.104	0.025	116.899	-0.001	-0.001	0.000	0.000	0.000	0.000
267	A	303	SER	0	-0.100	-0.045	113.820	0.000	0.000	0.000	0.000	0.000	0.000
268	A	304	THR	0	0.000	-0.051	114.597	0.001	0.001	0.000	0.000	0.000	0.000
269	A	305	ASN	0	0.024	0.053	113.624	0.000	0.000	0.000	0.000	0.000	0.000
270	A	306	LYS	1	0.886	0.933	116.692	0.020	0.020	0.000	0.000	0.000	0.000
271	A	307	VAL	0	-0.028	-0.003	119.789	0.000	0.000	0.000	0.000	0.000	0.000
272	A	308	TYR	0	-0.026	0.005	118.613	0.000	0.000	0.000	0.000	0.000	0.000
273	A	309	GLU	-1	-0.816	-0.910	113.131	-0.021	-0.021	0.000	0.000	0.000	0.000
274	A	310	ILE	0	0.005	0.020	116.322	0.000	0.000	0.000	0.000	0.000	0.000
275	A	311	ILE	0	0.044	0.049	113.979	0.000	0.000	0.000	0.000	0.000	0.000
276	A	312	ARG	1	0.822	0.911	116.926	0.018	0.018	0.000	0.000	0.000	0.000
277	A	313	ASP	-1	-0.799	-0.915	117.382	-0.018	-0.018	0.000	0.000	0.000	0.000
278	A	314	TYR	0	-0.068	-0.040	116.698	0.000	0.000	0.000	0.000	0.000	0.000
279	A	315	PRO	0	-0.037	0.014	116.629	0.000	0.000	0.000	0.000	0.000	0.000
280	A	316	ASP	-1	-0.833	-0.920	118.290	-0.015	-0.015	0.000	0.000	0.000	0.000
281	A	317	LYS	1	0.797	0.861	121.246	0.016	0.016	0.000	0.000	0.000	0.000
282	A	318	SER	0	-0.014	0.016	119.888	0.000	0.000	0.000	0.000	0.000	0.000
283	A	319	VAL	0	0.037	0.025	114.037	0.000	0.000	0.000	0.000	0.000	0.000
284	A	320	TRP	0	-0.025	-0.009	115.165	0.000	0.000	0.000	0.000	0.000	0.000
285	A	321	ILE	0	0.008	0.001	107.865	0.000	0.000	0.000	0.000	0.000	0.000
286	A	322	GLU	-1	-0.938	-0.965	107.567	-0.020	-0.020	0.000	0.000	0.000	0.000
287	A	323	ILE	0	-0.046	-0.032	105.684	0.000	0.000	0.000	0.000	0.000	0.000
288	A	324	ASP	-1	-0.728	-0.866	102.333	-0.025	-0.025	0.000	0.000	0.000	0.000
289	A	325	THR	0	0.030	-0.006	105.354	0.000	0.000	0.000	0.000	0.000	0.000
290	A	326	ASP	-1	-0.747	-0.828	104.050	-0.025	-0.025	0.000	0.000	0.000	0.000
291	A	327	LYS	1	0.795	0.864	97.662	0.027	0.027	0.000	0.000	0.000	0.000
292	A	328	MET	0	-0.001	0.014	102.833	0.000	0.000	0.000	0.000	0.000	0.000
293	A	329	THR	0	0.023	-0.012	105.118	0.000	0.000	0.000	0.000	0.000	0.000
294	A	330	GLN	0	-0.097	-0.055	98.699	0.000	0.000	0.000	0.000	0.000	0.000
295	A	331	VAL	0	-0.039	-0.020	101.008	0.000	0.000	0.000	0.000	0.000	0.000
296	A	332	ILE	0	-0.004	-0.004	103.012	0.000	0.000	0.000	0.000	0.000	0.000
297	A	333	ASP	-1	-0.687	-0.816	105.278	-0.023	-0.023	0.000	0.000	0.000	0.000
298	A	334	ASN	0	-0.069	-0.054	100.311	0.000	0.000	0.000	0.000	0.000	0.000
299	A	335	ILE	0	-0.037	-0.016	102.441	0.000	0.000	0.000	0.000	0.000	0.000
300	A	336	LEU	0	0.053	0.026	104.327	0.000	0.000	0.000	0.000	0.000	0.000
301	A	337	ASN	0	0.009	0.031	103.203	0.000	0.000	0.000	0.000	0.000	0.000
302	A	338	ASN	0	-0.047	-0.042	101.787	0.000	0.000	0.000	0.000	0.000	0.000
303	A	339	ALA	0	0.000	0.025	104.049	0.000	0.000	0.000	0.000	0.000	0.000
304	A	340	ILE	0	0.004	0.003	106.981	0.000	0.000	0.000	0.000	0.000	0.000
305	A	341	LYS	1	0.833	0.932	99.609	0.027	0.027	0.000	0.000	0.000	0.000
306	A	342	TYR	0	-0.035	-0.038	99.034	-0.001	-0.001	0.000	0.000	0.000	0.000
307	A	343	SER	0	0.020	0.029	105.951	0.000	0.000	0.000	0.000	0.000	0.000
308	A	344	PRO	0	-0.039	-0.013	109.190	0.000	0.000	0.000	0.000	0.000	0.000
309	A	345	ASP	-1	-0.933	-0.977	111.360	-0.019	-0.019	0.000	0.000	0.000	0.000
310	A	346	GLY	0	0.013	0.011	115.035	0.000	0.000	0.000	0.000	0.000	0.000
311	A	347	GLY	0	0.025	-0.018	114.296	0.000	0.000	0.000	0.000	0.000	0.000
312	A	348	LYS	1	0.838	0.932	114.061	0.019	0.019	0.000	0.000	0.000	0.000
313	A	349	VAL	0	0.060	0.038	110.859	0.000	0.000	0.000	0.000	0.000	0.000
314	A	350	THR	0	-0.039	-0.031	112.713	0.000	0.000	0.000	0.000	0.000	0.000
315	A	351	ILE	0	0.052	0.027	111.833	0.000	0.000	0.000	0.000	0.000	0.000
316	A	352	THR	0	-0.021	-0.009	112.735	0.001	0.001	0.000	0.000	0.000	0.000
317	A	353	MET	0	-0.049	0.012	112.305	0.000	0.000	0.000	0.000	0.000	0.000
318	A	354	GLN	0	0.006	0.013	112.682	0.000	0.000	0.000	0.000	0.000	0.000
319	A	355	THR	0	0.016	-0.006	112.654	-0.001	-0.001	0.000	0.000	0.000	0.000
320	A	356	THR	0	-0.032	-0.019	111.080	0.000	0.000	0.000	0.000	0.000	0.000
321	A	357	ASP	-1	-0.881	-0.939	111.383	-0.015	-0.015	0.000	0.000	0.000	0.000
322	A	358	THR	0	-0.090	-0.044	106.505	0.000	0.000	0.000	0.000	0.000	0.000
323	A	359	GLN	0	0.010	0.026	107.598	-0.001	-0.001	0.000	0.000	0.000	0.000
324	A	360	LEU	0	0.027	0.023	109.042	0.000	0.000	0.000	0.000	0.000	0.000
325	A	361	ILE	0	-0.008	0.002	107.631	0.000	0.000	0.000	0.000	0.000	0.000
326	A	362	LEU	0	-0.007	-0.005	107.767	0.000	0.000	0.000	0.000	0.000	0.000
327	A	363	SER	0	0.016	0.000	107.732	0.000	0.000	0.000	0.000	0.000	0.000
328	A	364	ILE	0	0.016	0.003	107.430	0.000	0.000	0.000	0.000	0.000	0.000
329	A	365	SER	0	0.006	-0.003	107.795	0.000	0.000	0.000	0.000	0.000	0.000
330	A	366	ASP	-1	-0.798	-0.896	106.632	-0.021	-0.021	0.000	0.000	0.000	0.000
331	A	367	GLN	0	-0.003	-0.020	109.779	0.001	0.001	0.000	0.000	0.000	0.000
332	A	368	GLY	0	0.011	0.016	107.159	0.000	0.000	0.000	0.000	0.000	0.000
333	A	369	LEU	0	-0.050	-0.042	102.331	0.000	0.000	0.000	0.000	0.000	0.000
334	A	370	GLY	0	0.058	0.025	101.164	0.000	0.000	0.000	0.000	0.000	0.000
335	A	371	ILE	0	-0.092	0.009	97.930	-0.001	-0.001	0.000	0.000	0.000	0.000
336	A	372	PRO	0	0.043	0.011	94.041	0.000	0.000	0.000	0.000	0.000	0.000
337	A	373	LYS	1	0.783	0.868	93.274	0.021	0.021	0.000	0.000	0.000	0.000
338	A	374	LYS	1	0.864	0.921	88.481	0.029	0.029	0.000	0.000	0.000	0.000
339	A	375	ASP	-1	-0.805	-0.922	90.787	-0.029	-0.029	0.000	0.000	0.000	0.000
340	A	376	LEU	0	0.003	0.022	93.219	0.000	0.000	0.000	0.000	0.000	0.000
341	A	377	PRO	0	-0.012	-0.018	90.120	0.000	0.000	0.000	0.000	0.000	0.000
342	A	378	LEU	0	0.042	0.023	87.046	0.000	0.000	0.000	0.000	0.000	0.000
343	A	379	ILE	0	-0.054	-0.012	90.540	-0.001	-0.001	0.000	0.000	0.000	0.000
344	A	380	PHE	0	0.005	-0.009	92.667	0.000	0.000	0.000	0.000	0.000	0.000
345	A	381	ASP	-1	-0.900	-0.948	87.490	-0.030	-0.030	0.000	0.000	0.000	0.000
346	A	382	ARG	1	0.823	0.878	85.365	0.035	0.035	0.000	0.000	0.000	0.000
347	A	383	PHE	0	0.029	0.002	83.191	0.000	0.000	0.000	0.000	0.000	0.000
348	A	384	TYR	0	0.035	0.033	87.275	0.000	0.000	0.000	0.000	0.000	0.000
349	A	385	ARG	1	0.791	0.848	89.459	0.030	0.030	0.000	0.000	0.000	0.000
350	A	386	VAL	0	-0.078	-0.005	86.024	0.000	0.000	0.000	0.000	0.000	0.000
351	A	387	ASP	-1	-0.829	-0.903	83.322	-0.039	-0.039	0.000	0.000	0.000	0.000
352	A	388	LYS	1	0.807	0.913	86.127	0.030	0.030	0.000	0.000	0.000	0.000
353	A	389	ALA	0	0.085	0.053	87.764	-0.001	-0.001	0.000	0.000	0.000	0.000
354	A	390	ARG	1	0.913	0.951	89.426	0.033	0.033	0.000	0.000	0.000	0.000
355	A	398	GLY	0	0.099	0.066	95.246	0.000	0.000	0.000	0.000	0.000	0.000
356	A	399	LEU	0	-0.077	-0.056	96.592	0.000	0.000	0.000	0.000	0.000	0.000
357	A	400	GLY	0	0.039	-0.010	95.465	-0.001	-0.001	0.000	0.000	0.000	0.000
358	A	401	LEU	0	0.006	0.027	96.075	0.000	0.000	0.000	0.000	0.000	0.000
359	A	402	ALA	0	0.071	0.049	92.284	0.000	0.000	0.000	0.000	0.000	0.000
360	A	403	ILE	0	0.002	-0.011	93.916	0.000	0.000	0.000	0.000	0.000	0.000
361	A	404	ALA	0	0.011	0.023	95.648	0.000	0.000	0.000	0.000	0.000	0.000
362	A	405	LYS	1	1.007	0.999	91.713	0.027	0.027	0.000	0.000	0.000	0.000
363	A	406	GLU	-1	-0.899	-0.950	92.087	-0.028	-0.028	0.000	0.000	0.000	0.000
364	A	407	ILE	0	0.011	0.019	95.245	0.000	0.000	0.000	0.000	0.000	0.000
365	A	408	VAL	0	0.011	0.014	98.418	0.001	0.001	0.000	0.000	0.000	0.000
366	A	409	LYS	1	0.862	0.933	94.121	0.024	0.024	0.000	0.000	0.000	0.000
367	A	410	GLN	0	-0.083	-0.055	93.648	0.001	0.001	0.000	0.000	0.000	0.000
368	A	411	HIS	0	0.028	0.021	97.059	0.001	0.001	0.000	0.000	0.000	0.000
369	A	412	LYS	1	0.805	0.907	95.205	0.025	0.025	0.000	0.000	0.000	0.000
370	A	413	GLY	0	0.114	0.072	99.084	0.001	0.001	0.000	0.000	0.000	0.000
371	A	414	PHE	0	-0.096	-0.066	96.001	-0.001	-0.001	0.000	0.000	0.000	0.000
372	A	415	ILE	0	0.023	0.013	97.947	0.000	0.000	0.000	0.000	0.000	0.000
373	A	416	TRP	0	-0.018	0.014	98.358	-0.001	-0.001	0.000	0.000	0.000	0.000
374	A	417	ALA	0	0.044	0.007	99.659	0.000	0.000	0.000	0.000	0.000	0.000
375	A	418	ASN	0	-0.081	-0.031	100.102	0.000	0.000	0.000	0.000	0.000	0.000
376	A	419	SER	0	-0.031	-0.041	101.443	0.000	0.000	0.000	0.000	0.000	0.000
377	A	420	GLU	-1	-0.777	-0.884	101.570	-0.021	-0.021	0.000	0.000	0.000	0.000
378	A	421	GLU	-1	-0.803	-0.928	101.415	-0.022	-0.022	0.000	0.000	0.000	0.000
379	A	422	GLY	0	-0.065	-0.031	104.733	0.000	0.000	0.000	0.000	0.000	0.000
380	A	423	GLU	-1	-0.999	-0.987	107.490	-0.018	-0.018	0.000	0.000	0.000	0.000
381	A	424	GLY	0	0.041	0.032	107.016	0.000	0.000	0.000	0.000	0.000	0.000
382	A	425	SER	0	-0.053	-0.010	103.523	0.000	0.000	0.000	0.000	0.000	0.000
383	A	426	THR	0	-0.003	0.009	105.006	0.000	0.000	0.000	0.000	0.000	0.000
384	A	427	PHE	0	-0.006	-0.005	100.205	0.000	0.000	0.000	0.000	0.000	0.000
385	A	428	THR	0	-0.002	-0.017	103.340	0.001	0.001	0.000	0.000	0.000	0.000
386	A	429	ILE	0	0.005	-0.001	102.888	-0.001	-0.001	0.000	0.000	0.000	0.000
387	A	430	VAL	0	-0.056	-0.025	103.108	0.000	0.000	0.000	0.000	0.000	0.000
388	A	431	LEU	0	0.005	-0.007	103.367	-0.001	-0.001	0.000	0.000	0.000	0.000
389	A	432	PRO	0	0.015	-0.010	102.984	0.001	0.001	0.000	0.000	0.000	0.000

Top

Graph

Manual

About

Interactive mode: IFIE and PIEDA for fragment #1(A:37:ASN)