FMO DATABASE

FMODB ID: 7M21K

Calculation Name: 5SUI-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 5SUI

Chain ID: A

ChEMBL ID:

UniProt ID: P53136

Base Structure: X-ray

Registration Date: 2023-09-26

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

DOI:

IFIE MAP

IFIE Diagram

Modeling method

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

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	384
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-6724559.743317
FMO2-HF: Nuclear repulsion	6573556.173372
FMO2-HF: Total energy	-151003.569946
FMO2-MP2: Total energy	-151446.79296

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:4:GLY)

Summations of interaction energy for fragment #1(A:4:GLY)

IFIE [kcal/mol]	PIEDA [kcal/mol]				Charge transfer value [e]
IFIE SUMIFIE SUM at MP2 level.	ESElectro static interaction energy.	EXExchange-repulsion energy.	CT+mixCharge transfer and mixing terms energy.	DI(MP2)Dispersion energy.	q(I=>J)Charge transfer value from I to J fragments.
-3.68	-4.456	3.586	0.457	-3.266	-0.034

Interaction energy analysis for fragmet #1(A:4:GLY)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.003 / q_NPA : 0.016

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	6	MET	0	0.022	0.015	2.837	3.209	-0.506	1.036	3.514	-0.835	-0.005
4	A	7	ARG	1	0.885	0.933	4.273	0.395	0.354	0.000	-0.010	0.052	0.000
5	A	8	LEU	0	-0.029	-0.013	7.516	0.295	0.295	0.000	0.000	0.000	0.000
6	A	9	LEU	0	0.004	0.006	10.646	-0.131	-0.131	0.000	0.000	0.000	0.000
7	A	10	VAL	0	0.003	-0.004	14.353	0.070	0.070	0.000	0.000	0.000	0.000
8	A	11	SER	0	-0.003	-0.006	17.051	-0.049	-0.049	0.000	0.000	0.000	0.000
9	A	12	CYS	0	-0.063	-0.028	19.799	0.018	0.018	0.000	0.000	0.000	0.000
10	A	13	VAL	0	0.081	0.021	22.580	-0.019	-0.019	0.000	0.000	0.000	0.000
11	A	14	ASP	-1	-0.749	-0.849	26.191	0.042	0.042	0.000	0.000	0.000	0.000
12	A	15	SER	0	-0.033	-0.032	24.597	-0.006	-0.006	0.000	0.000	0.000	0.000
13	A	16	GLY	0	-0.021	-0.014	27.157	-0.011	-0.011	0.000	0.000	0.000	0.000
14	A	17	SER	0	-0.029	0.000	23.121	-0.013	-0.013	0.000	0.000	0.000	0.000
15	A	18	ILE	0	0.066	0.040	17.685	0.023	0.023	0.000	0.000	0.000	0.000
16	A	19	LYS	1	0.877	0.937	17.400	0.007	0.007	0.000	0.000	0.000	0.000
17	A	20	GLU	-1	-0.713	-0.824	12.367	-0.443	-0.443	0.000	0.000	0.000	0.000
18	A	21	VAL	0	-0.039	-0.032	10.253	-0.013	-0.013	0.000	0.000	0.000	0.000
19	A	22	LEU	0	0.031	0.033	7.867	0.093	0.093	0.000	0.000	0.000	0.000
20	A	23	CYS	0	-0.028	-0.023	6.557	-0.102	-0.102	0.000	0.000	0.000	0.000
21	A	24	ASN	0	0.094	0.051	3.695	-0.494	-0.322	0.018	-0.144	-0.046	0.000
22	A	25	ILE	0	0.015	0.016	4.322	-0.504	-0.401	-0.001	-0.012	-0.089	0.000
23	A	26	GLY	0	-0.012	-0.011	6.382	-0.309	-0.309	0.000	0.000	0.000	0.000
24	A	27	THR	0	-0.063	-0.041	7.922	-0.317	-0.317	0.000	0.000	0.000	0.000
25	A	28	ASP	-1	-0.749	-0.870	10.435	0.383	0.383	0.000	0.000	0.000	0.000
26	A	29	THR	0	0.010	0.016	14.174	-0.046	-0.046	0.000	0.000	0.000	0.000
27	A	30	SER	0	-0.147	-0.089	16.460	-0.023	-0.023	0.000	0.000	0.000	0.000
28	A	31	VAL	0	0.019	0.018	17.272	-0.005	-0.005	0.000	0.000	0.000	0.000
29	A	32	GLN	0	-0.006	-0.015	17.616	0.010	0.010	0.000	0.000	0.000	0.000
30	A	33	SER	0	-0.013	0.002	18.340	-0.024	-0.024	0.000	0.000	0.000	0.000
31	A	34	ALA	0	-0.019	0.010	13.844	0.007	0.007	0.000	0.000	0.000	0.000
32	A	35	LEU	0	0.019	0.009	8.302	-0.091	-0.091	0.000	0.000	0.000	0.000
33	A	36	GLN	0	-0.004	-0.024	11.522	0.076	0.076	0.000	0.000	0.000	0.000
34	A	37	PRO	0	-0.026	-0.009	9.823	-0.086	-0.086	0.000	0.000	0.000	0.000
35	A	38	PHE	0	0.029	0.025	5.855	0.151	0.151	0.000	0.000	0.000	0.000
36	A	39	HIS	0	0.036	0.012	10.878	0.005	0.005	0.000	0.000	0.000	0.000
37	A	40	VAL	0	0.019	0.010	12.275	0.050	0.050	0.000	0.000	0.000	0.000
38	A	41	ALA	0	-0.006	0.009	15.098	-0.009	-0.009	0.000	0.000	0.000	0.000
39	A	42	PRO	0	-0.050	-0.015	17.683	0.023	0.023	0.000	0.000	0.000	0.000
40	A	43	HIS	1	0.847	0.908	16.101	0.237	0.237	0.000	0.000	0.000	0.000
41	A	44	LEU	0	0.035	0.018	21.259	0.025	0.025	0.000	0.000	0.000	0.000
42	A	45	ALA	0	0.006	0.003	24.320	0.018	0.018	0.000	0.000	0.000	0.000
43	A	46	GLH	0	-0.064	-0.054	26.172	-0.001	-0.001	0.000	0.000	0.000	0.000
44	A	47	GLY	0	0.007	0.008	28.882	0.004	0.004	0.000	0.000	0.000	0.000
45	A	48	LEU	0	0.019	-0.004	30.210	0.004	0.004	0.000	0.000	0.000	0.000
46	A	49	LYS	1	0.902	0.939	31.207	0.022	0.022	0.000	0.000	0.000	0.000
47	A	50	ALA	0	0.019	0.017	30.817	0.000	0.000	0.000	0.000	0.000	0.000
48	A	51	TYR	0	-0.059	-0.028	26.560	-0.008	-0.008	0.000	0.000	0.000	0.000
49	A	52	VAL	0	0.028	0.023	22.535	0.000	0.000	0.000	0.000	0.000	0.000
50	A	53	ASP	-1	-0.732	-0.838	24.830	0.080	0.080	0.000	0.000	0.000	0.000
51	A	54	ARG	1	0.844	0.918	23.388	-0.125	-0.125	0.000	0.000	0.000	0.000
52	A	55	MET	0	-0.022	-0.008	18.723	-0.024	-0.024	0.000	0.000	0.000	0.000
53	A	56	TRP	0	0.023	0.005	20.187	0.033	0.033	0.000	0.000	0.000	0.000
54	A	57	VAL	0	0.031	0.020	14.796	-0.029	-0.029	0.000	0.000	0.000	0.000
55	A	58	ILE	0	-0.048	-0.026	18.078	0.024	0.024	0.000	0.000	0.000	0.000
56	A	59	SER	0	-0.011	-0.012	16.806	-0.006	-0.006	0.000	0.000	0.000	0.000
57	A	60	GLU	-1	-0.704	-0.865	11.016	-0.433	-0.433	0.000	0.000	0.000	0.000
58	A	61	ASP	-1	-0.881	-0.942	14.487	-0.386	-0.386	0.000	0.000	0.000	0.000
59	A	62	GLU	-1	-0.859	-0.911	17.714	-0.061	-0.061	0.000	0.000	0.000	0.000
60	A	63	ALA	0	0.009	0.016	18.518	0.022	0.022	0.000	0.000	0.000	0.000
61	A	64	ILE	0	-0.007	0.006	20.546	-0.012	-0.012	0.000	0.000	0.000	0.000
62	A	65	LEU	0	-0.030	-0.009	20.822	0.018	0.018	0.000	0.000	0.000	0.000
63	A	66	ALA	0	0.036	0.011	24.356	-0.005	-0.005	0.000	0.000	0.000	0.000
64	A	67	ARG	1	0.744	0.858	25.538	0.030	0.030	0.000	0.000	0.000	0.000
65	A	68	ASN	0	-0.061	-0.047	29.044	-0.004	-0.004	0.000	0.000	0.000	0.000
66	A	69	SER	0	0.009	0.001	31.723	0.001	0.001	0.000	0.000	0.000	0.000
67	A	70	GLY	0	0.021	0.029	33.358	-0.004	-0.004	0.000	0.000	0.000	0.000
68	A	71	VAL	0	-0.056	-0.031	31.188	-0.003	-0.003	0.000	0.000	0.000	0.000
69	A	72	VAL	0	-0.006	-0.002	28.299	0.007	0.007	0.000	0.000	0.000	0.000
70	A	73	GLU	-1	-0.772	-0.869	26.451	-0.038	-0.038	0.000	0.000	0.000	0.000
71	A	74	LEU	0	-0.006	0.005	24.910	0.008	0.008	0.000	0.000	0.000	0.000
72	A	75	VAL	0	-0.029	-0.034	21.226	-0.009	-0.009	0.000	0.000	0.000	0.000
73	A	76	LYS	1	0.870	0.930	21.633	0.188	0.188	0.000	0.000	0.000	0.000
74	A	77	ILE	0	-0.026	-0.004	15.634	-0.003	-0.003	0.000	0.000	0.000	0.000
75	A	78	SER	0	-0.017	-0.019	18.061	0.007	0.007	0.000	0.000	0.000	0.000
76	A	79	LYS	1	0.842	0.916	12.272	0.478	0.478	0.000	0.000	0.000	0.000
77	A	80	HIS	0	-0.002	-0.007	15.683	0.035	0.035	0.000	0.000	0.000	0.000
78	A	81	LEU	0	0.055	0.041	14.713	-0.064	-0.064	0.000	0.000	0.000	0.000
79	A	82	LYS	1	0.850	0.917	14.265	0.684	0.684	0.000	0.000	0.000	0.000
80	A	83	GLU	-1	-0.852	-0.900	16.353	-0.546	-0.546	0.000	0.000	0.000	0.000
81	A	106	PRO	0	-0.029	-0.036	11.202	0.032	0.032	0.000	0.000	0.000	0.000
82	A	107	LYS	1	0.776	0.890	12.883	0.741	0.741	0.000	0.000	0.000	0.000
83	A	108	PHE	0	0.068	0.030	9.412	-0.152	-0.152	0.000	0.000	0.000	0.000
84	A	109	ASP	-1	-0.855	-0.915	11.035	-0.686	-0.686	0.000	0.000	0.000	0.000
85	A	110	ILE	0	-0.049	-0.020	11.041	-0.122	-0.122	0.000	0.000	0.000	0.000
86	A	111	SER	0	0.011	-0.034	12.998	0.009	0.009	0.000	0.000	0.000	0.000
87	A	112	GLU	-1	-0.885	-0.951	15.388	-0.205	-0.205	0.000	0.000	0.000	0.000
88	A	113	PHE	0	-0.056	-0.017	15.446	0.004	0.004	0.000	0.000	0.000	0.000
89	A	114	GLU	-1	-0.841	-0.899	21.120	-0.138	-0.138	0.000	0.000	0.000	0.000
90	A	115	ILE	0	-0.009	-0.008	24.651	0.005	0.005	0.000	0.000	0.000	0.000
91	A	116	THR	0	0.031	0.032	26.108	0.005	0.005	0.000	0.000	0.000	0.000
92	A	117	SER	0	0.007	-0.003	28.550	0.004	0.004	0.000	0.000	0.000	0.000
93	A	118	SER	0	-0.009	0.005	29.438	0.000	0.000	0.000	0.000	0.000	0.000
94	A	119	VAL	0	-0.008	-0.002	31.712	0.000	0.000	0.000	0.000	0.000	0.000
95	A	120	SER	0	0.017	0.008	33.572	0.003	0.003	0.000	0.000	0.000	0.000
96	A	121	ASP	-1	-0.897	-0.950	36.148	0.002	0.002	0.000	0.000	0.000	0.000
97	A	122	LEU	0	-0.048	-0.020	33.403	0.003	0.003	0.000	0.000	0.000	0.000
98	A	123	PHE	0	-0.030	-0.002	32.431	0.006	0.006	0.000	0.000	0.000	0.000
99	A	124	ASP	-1	-0.846	-0.939	38.235	0.027	0.027	0.000	0.000	0.000	0.000
100	A	125	ASP	-1	-0.866	-0.945	39.534	0.039	0.039	0.000	0.000	0.000	0.000
101	A	126	ALA	0	-0.031	-0.002	41.852	0.001	0.001	0.000	0.000	0.000	0.000
102	A	127	LYS	1	0.823	0.922	42.296	-0.044	-0.044	0.000	0.000	0.000	0.000
103	A	128	LEU	0	-0.067	-0.019	40.998	0.004	0.004	0.000	0.000	0.000	0.000
104	A	141	LEU	0	-0.012	-0.005	37.071	0.002	0.002	0.000	0.000	0.000	0.000
105	A	142	VAL	0	0.007	0.001	36.131	-0.004	-0.004	0.000	0.000	0.000	0.000
106	A	143	ASP	-1	-0.643	-0.809	36.716	0.058	0.058	0.000	0.000	0.000	0.000
107	A	144	GLY	0	-0.009	-0.013	32.618	0.001	0.001	0.000	0.000	0.000	0.000
108	A	145	PHE	0	-0.024	-0.008	29.134	0.003	0.003	0.000	0.000	0.000	0.000
109	A	146	VAL	0	-0.007	0.007	29.001	0.009	0.009	0.000	0.000	0.000	0.000
110	A	147	THR	0	-0.073	-0.061	27.888	0.016	0.016	0.000	0.000	0.000	0.000
111	A	148	LEU	0	0.002	0.000	24.019	-0.013	-0.013	0.000	0.000	0.000	0.000
112	A	149	CYS	0	-0.050	-0.007	24.802	0.016	0.016	0.000	0.000	0.000	0.000
113	A	150	PRO	0	0.023	0.021	23.895	-0.014	-0.014	0.000	0.000	0.000	0.000
114	A	151	ILE	0	-0.029	-0.001	26.844	0.012	0.012	0.000	0.000	0.000	0.000
115	A	152	LYS	1	0.870	0.931	28.982	-0.065	-0.065	0.000	0.000	0.000	0.000
116	A	153	LYS	1	0.981	0.986	21.903	-0.147	-0.147	0.000	0.000	0.000	0.000
117	A	154	ASP	-1	-0.766	-0.880	25.342	0.044	0.044	0.000	0.000	0.000	0.000
118	A	155	SER	0	-0.070	-0.048	24.834	0.005	0.005	0.000	0.000	0.000	0.000
119	A	156	SER	0	-0.052	-0.020	26.299	-0.016	-0.016	0.000	0.000	0.000	0.000
120	A	157	ASN	0	-0.020	0.010	28.071	-0.008	-0.008	0.000	0.000	0.000	0.000
121	A	158	ASN	0	-0.013	0.000	27.534	0.000	0.000	0.000	0.000	0.000	0.000
122	A	159	THR	0	-0.013	-0.013	29.246	-0.007	-0.007	0.000	0.000	0.000	0.000
123	A	160	PHE	0	-0.001	-0.003	24.076	0.010	0.010	0.000	0.000	0.000	0.000
124	A	161	VAL	0	0.004	-0.001	29.257	-0.006	-0.006	0.000	0.000	0.000	0.000
125	A	162	ALA	0	0.002	-0.007	29.312	0.005	0.005	0.000	0.000	0.000	0.000
126	A	163	ALA	0	-0.006	-0.005	31.240	-0.006	-0.006	0.000	0.000	0.000	0.000
127	A	164	THR	0	-0.025	-0.026	32.308	0.006	0.006	0.000	0.000	0.000	0.000
128	A	165	LYS	1	0.856	0.929	32.978	-0.068	-0.068	0.000	0.000	0.000	0.000
129	A	166	SER	0	-0.037	-0.033	36.405	0.001	0.001	0.000	0.000	0.000	0.000
130	A	167	GLY	0	0.017	0.006	38.243	-0.003	-0.003	0.000	0.000	0.000	0.000
131	A	168	LEU	0	-0.037	-0.017	38.076	-0.004	-0.004	0.000	0.000	0.000	0.000
132	A	169	LEU	0	-0.010	-0.013	34.617	0.006	0.006	0.000	0.000	0.000	0.000
133	A	170	HIS	0	0.031	0.038	34.460	-0.007	-0.007	0.000	0.000	0.000	0.000
134	A	171	ILE	0	-0.006	0.004	33.931	0.006	0.006	0.000	0.000	0.000	0.000
135	A	172	ILE	0	-0.015	-0.021	31.485	-0.007	-0.007	0.000	0.000	0.000	0.000
136	A	173	LYS	1	0.845	0.912	31.617	0.012	0.012	0.000	0.000	0.000	0.000
137	A	174	LYS	1	0.811	0.897	25.638	0.064	0.064	0.000	0.000	0.000	0.000
138	A	175	GLY	0	0.030	0.011	30.674	0.002	0.002	0.000	0.000	0.000	0.000
139	A	176	GLU	-1	-0.765	-0.872	32.477	-0.023	-0.023	0.000	0.000	0.000	0.000
140	A	177	ASP	-1	-0.875	-0.938	34.060	-0.045	-0.045	0.000	0.000	0.000	0.000
141	A	178	LYS	1	0.811	0.901	29.358	0.056	0.056	0.000	0.000	0.000	0.000
142	A	179	LYS	1	0.899	0.946	30.012	0.056	0.056	0.000	0.000	0.000	0.000
143	A	180	LEU	0	-0.007	-0.002	28.694	0.005	0.005	0.000	0.000	0.000	0.000
144	A	181	ILE	0	0.013	0.008	32.537	-0.001	-0.001	0.000	0.000	0.000	0.000
145	A	182	LYS	1	0.879	0.931	35.291	-0.010	-0.010	0.000	0.000	0.000	0.000
146	A	183	LEU	0	0.002	0.008	35.839	-0.001	-0.001	0.000	0.000	0.000	0.000
147	A	184	ALA	0	0.035	0.028	37.951	0.000	0.000	0.000	0.000	0.000	0.000
148	A	185	SER	0	-0.012	-0.036	38.185	-0.002	-0.002	0.000	0.000	0.000	0.000
149	A	186	LEU	0	0.003	0.028	39.638	-0.001	-0.001	0.000	0.000	0.000	0.000
150	A	187	GLY	0	0.018	0.009	40.503	0.001	0.001	0.000	0.000	0.000	0.000
151	A	188	LEU	0	-0.041	-0.022	38.293	0.002	0.002	0.000	0.000	0.000	0.000
152	A	189	LYS	1	0.839	0.924	42.409	-0.063	-0.063	0.000	0.000	0.000	0.000
153	A	190	ALA	0	0.077	0.064	41.488	0.005	0.005	0.000	0.000	0.000	0.000
154	A	191	PRO	0	0.027	0.003	39.857	-0.002	-0.002	0.000	0.000	0.000	0.000
155	A	192	VAL	0	-0.066	-0.030	35.292	0.003	0.003	0.000	0.000	0.000	0.000
156	A	193	GLU	-1	-0.771	-0.879	33.865	0.096	0.096	0.000	0.000	0.000	0.000
157	A	194	PHE	0	-0.033	-0.015	31.200	0.008	0.008	0.000	0.000	0.000	0.000
158	A	195	LEU	0	0.003	-0.001	31.378	-0.008	-0.008	0.000	0.000	0.000	0.000
159	A	196	GLN	0	-0.039	-0.013	26.798	0.000	0.000	0.000	0.000	0.000	0.000
160	A	197	LEU	0	0.047	0.004	29.843	-0.007	-0.007	0.000	0.000	0.000	0.000
161	A	198	TYR	0	-0.071	-0.069	30.263	0.015	0.015	0.000	0.000	0.000	0.000
162	A	199	ASP	-1	-0.812	-0.895	26.128	0.171	0.171	0.000	0.000	0.000	0.000
163	A	200	LEU	0	-0.010	-0.007	28.162	0.008	0.008	0.000	0.000	0.000	0.000
164	A	201	GLU	-1	-0.861	-0.888	30.627	0.119	0.119	0.000	0.000	0.000	0.000
165	A	202	ASP	-1	-0.784	-0.874	32.328	0.083	0.083	0.000	0.000	0.000	0.000
166	A	203	THR	0	-0.094	-0.047	28.935	0.004	0.004	0.000	0.000	0.000	0.000
167	A	204	ASP	-1	-0.890	-0.961	32.211	0.063	0.063	0.000	0.000	0.000	0.000
168	A	205	THR	0	-0.051	-0.045	35.720	-0.007	-0.007	0.000	0.000	0.000	0.000
169	A	206	ASP	-1	-0.874	-0.918	37.731	0.040	0.040	0.000	0.000	0.000	0.000
170	A	207	LYS	1	0.825	0.918	38.069	-0.061	-0.061	0.000	0.000	0.000	0.000
171	A	208	TYR	0	0.049	0.015	33.103	0.009	0.009	0.000	0.000	0.000	0.000
172	A	209	ILE	0	-0.022	-0.004	35.828	-0.004	-0.004	0.000	0.000	0.000	0.000
173	A	210	PHE	0	-0.001	-0.007	34.126	0.006	0.006	0.000	0.000	0.000	0.000
174	A	211	ALA	0	0.019	0.008	34.480	-0.005	-0.005	0.000	0.000	0.000	0.000
175	A	212	TYR	0	0.002	0.003	34.758	0.002	0.002	0.000	0.000	0.000	0.000
176	A	213	GLY	0	0.052	0.013	36.655	-0.002	-0.002	0.000	0.000	0.000	0.000
177	A	214	GLY	0	0.048	0.022	37.006	0.003	0.003	0.000	0.000	0.000	0.000
178	A	215	GLU	-1	-0.907	-0.956	38.781	0.071	0.071	0.000	0.000	0.000	0.000
179	A	216	GLU	-1	-0.735	-0.840	41.449	0.068	0.068	0.000	0.000	0.000	0.000
180	A	217	ASN	0	-0.076	-0.037	40.851	-0.006	-0.006	0.000	0.000	0.000	0.000
181	A	218	LEU	0	-0.007	-0.008	41.266	0.005	0.005	0.000	0.000	0.000	0.000
182	A	219	ILE	0	0.038	0.034	36.816	-0.003	-0.003	0.000	0.000	0.000	0.000
183	A	220	LYS	1	0.793	0.895	39.775	-0.073	-0.073	0.000	0.000	0.000	0.000
184	A	221	LEU	0	-0.003	0.014	37.801	0.003	0.003	0.000	0.000	0.000	0.000
185	A	222	VAL	0	-0.019	-0.026	39.100	-0.006	-0.006	0.000	0.000	0.000	0.000
186	A	223	GLU	-1	-0.759	-0.854	38.975	0.061	0.061	0.000	0.000	0.000	0.000
187	A	224	ILE	0	-0.063	-0.033	36.708	-0.004	-0.004	0.000	0.000	0.000	0.000
188	A	225	ASP	-1	-0.846	-0.899	40.024	0.035	0.035	0.000	0.000	0.000	0.000
189	A	226	SER	0	0.009	-0.019	38.979	-0.001	-0.001	0.000	0.000	0.000	0.000
190	A	227	SER	0	-0.053	-0.045	39.348	-0.003	-0.003	0.000	0.000	0.000	0.000
191	A	228	PHE	0	-0.014	-0.034	35.131	-0.003	-0.003	0.000	0.000	0.000	0.000
192	A	229	GLN	0	-0.051	-0.033	39.931	-0.001	-0.001	0.000	0.000	0.000	0.000
193	A	230	SER	0	-0.018	-0.009	42.968	0.000	0.000	0.000	0.000	0.000	0.000
194	A	231	LEU	0	0.005	0.007	40.778	0.003	0.003	0.000	0.000	0.000	0.000
195	A	232	LYS	1	0.879	0.937	43.389	-0.052	-0.052	0.000	0.000	0.000	0.000
196	A	233	GLN	0	0.026	0.014	43.583	0.003	0.003	0.000	0.000	0.000	0.000
197	A	234	ILE	0	-0.020	-0.010	41.027	-0.003	-0.003	0.000	0.000	0.000	0.000
198	A	235	TRP	0	-0.034	-0.025	40.983	0.001	0.001	0.000	0.000	0.000	0.000
199	A	236	GLU	-1	-0.845	-0.916	43.512	0.065	0.065	0.000	0.000	0.000	0.000
200	A	237	ALA	0	0.046	0.050	42.343	-0.001	-0.001	0.000	0.000	0.000	0.000
201	A	238	LYS	1	0.911	0.945	44.404	-0.067	-0.067	0.000	0.000	0.000	0.000
202	A	239	ASN	0	0.054	0.026	45.846	0.007	0.007	0.000	0.000	0.000	0.000
203	A	240	VAL	0	0.033	0.023	44.895	-0.002	-0.002	0.000	0.000	0.000	0.000
204	A	241	LYS	1	0.842	0.916	47.677	-0.075	-0.075	0.000	0.000	0.000	0.000
205	A	242	ASN	0	0.024	0.003	49.989	0.004	0.004	0.000	0.000	0.000	0.000
206	A	243	ASP	-1	-0.750	-0.868	49.210	0.077	0.077	0.000	0.000	0.000	0.000
207	A	244	ARG	1	0.818	0.882	49.035	-0.080	-0.080	0.000	0.000	0.000	0.000
208	A	245	LEU	0	-0.027	-0.008	52.916	-0.001	-0.001	0.000	0.000	0.000	0.000
209	A	246	ASP	-1	-0.869	-0.928	54.777	0.059	0.059	0.000	0.000	0.000	0.000
210	A	247	MET	0	-0.012	0.010	51.577	-0.002	-0.002	0.000	0.000	0.000	0.000
211	A	248	ARG	1	0.781	0.853	47.810	-0.065	-0.065	0.000	0.000	0.000	0.000
212	A	249	VAL	0	0.008	0.007	44.790	0.001	0.001	0.000	0.000	0.000	0.000
213	A	250	PRO	0	-0.006	0.012	44.221	-0.002	-0.002	0.000	0.000	0.000	0.000
214	A	251	VAL	0	-0.016	-0.022	42.564	0.006	0.006	0.000	0.000	0.000	0.000
215	A	252	TRP	0	0.005	-0.013	37.964	-0.002	-0.002	0.000	0.000	0.000	0.000
216	A	253	PRO	0	-0.030	-0.004	36.780	0.007	0.007	0.000	0.000	0.000	0.000
217	A	254	MET	0	-0.039	-0.018	32.603	-0.008	-0.008	0.000	0.000	0.000	0.000
218	A	255	ALA	0	-0.010	-0.008	29.353	0.004	0.004	0.000	0.000	0.000	0.000
219	A	256	LEU	0	-0.025	-0.004	30.690	-0.004	-0.004	0.000	0.000	0.000	0.000
220	A	257	ARG	1	0.815	0.906	24.509	-0.214	-0.214	0.000	0.000	0.000	0.000
221	A	258	PHE	0	-0.030	-0.026	29.920	-0.008	-0.008	0.000	0.000	0.000	0.000
222	A	259	LEU	0	-0.012	-0.001	30.118	0.016	0.016	0.000	0.000	0.000	0.000
223	A	260	GLU	-1	-0.778	-0.886	29.708	0.174	0.174	0.000	0.000	0.000	0.000
224	A	261	PRO	0	-0.011	-0.009	33.639	-0.002	-0.002	0.000	0.000	0.000	0.000
225	A	262	SER	0	-0.029	-0.007	37.520	0.005	0.005	0.000	0.000	0.000	0.000
226	A	263	PRO	0	0.062	0.043	38.661	-0.007	-0.007	0.000	0.000	0.000	0.000
227	A	264	GLY	0	0.008	0.005	40.753	-0.003	-0.003	0.000	0.000	0.000	0.000
228	A	265	LYS	1	0.884	0.929	44.253	-0.070	-0.070	0.000	0.000	0.000	0.000
229	A	266	THR	0	0.045	0.026	44.051	0.000	0.000	0.000	0.000	0.000	0.000
230	A	267	GLU	-1	-0.900	-0.934	47.322	0.066	0.066	0.000	0.000	0.000	0.000
231	A	268	LYS	1	0.963	0.964	48.926	-0.054	-0.054	0.000	0.000	0.000	0.000
232	A	269	GLY	0	0.010	0.005	50.383	-0.001	-0.001	0.000	0.000	0.000	0.000
233	A	270	LYS	1	0.786	0.893	47.159	-0.072	-0.072	0.000	0.000	0.000	0.000
234	A	271	LEU	0	0.032	0.018	42.508	0.000	0.000	0.000	0.000	0.000	0.000
235	A	272	ASN	0	-0.036	-0.012	41.354	0.003	0.003	0.000	0.000	0.000	0.000
236	A	273	TYR	0	0.105	0.062	37.120	0.000	0.000	0.000	0.000	0.000	0.000
237	A	274	GLN	0	-0.001	0.002	35.830	-0.011	-0.011	0.000	0.000	0.000	0.000
238	A	275	PHE	0	0.035	0.009	33.912	0.003	0.003	0.000	0.000	0.000	0.000
239	A	276	ALA	0	0.009	0.012	32.237	-0.006	-0.006	0.000	0.000	0.000	0.000
240	A	277	ALA	0	0.000	-0.008	33.010	0.001	0.001	0.000	0.000	0.000	0.000
241	A	278	ILE	0	0.059	0.029	30.488	0.002	0.002	0.000	0.000	0.000	0.000
242	A	279	THR	0	-0.012	-0.024	33.720	-0.007	-0.007	0.000	0.000	0.000	0.000
243	A	280	ARG	1	0.849	0.914	33.823	-0.100	-0.100	0.000	0.000	0.000	0.000
244	A	281	TRP	0	-0.039	-0.021	36.999	-0.004	-0.004	0.000	0.000	0.000	0.000
245	A	282	SER	0	0.015	-0.017	35.900	0.000	0.000	0.000	0.000	0.000	0.000
246	A	283	HIS	0	-0.041	-0.006	36.922	0.004	0.004	0.000	0.000	0.000	0.000
247	A	284	LEU	0	0.040	0.043	32.946	0.005	0.005	0.000	0.000	0.000	0.000
248	A	285	THR	0	-0.063	-0.062	35.896	-0.007	-0.007	0.000	0.000	0.000	0.000
249	A	286	LYS	1	0.869	0.942	35.920	-0.144	-0.144	0.000	0.000	0.000	0.000
250	A	287	TYR	0	0.027	-0.008	37.891	-0.012	-0.012	0.000	0.000	0.000	0.000
251	A	288	SER	0	0.083	0.018	38.551	0.004	0.004	0.000	0.000	0.000	0.000
252	A	289	THR	0	-0.044	-0.038	40.913	-0.004	-0.004	0.000	0.000	0.000	0.000
253	A	290	GLN	0	0.016	0.010	43.268	-0.007	-0.007	0.000	0.000	0.000	0.000
254	A	291	HIS	0	0.006	0.016	44.825	-0.004	-0.004	0.000	0.000	0.000	0.000
255	A	292	GLY	0	0.015	0.003	45.849	-0.005	-0.005	0.000	0.000	0.000	0.000
256	A	293	ARG	1	0.798	0.880	45.435	-0.064	-0.064	0.000	0.000	0.000	0.000
257	A	294	LYS	1	0.852	0.926	45.327	-0.073	-0.073	0.000	0.000	0.000	0.000
258	A	295	PRO	0	0.028	0.017	41.668	0.001	0.001	0.000	0.000	0.000	0.000
259	A	296	PHE	0	-0.051	-0.009	38.388	-0.006	-0.006	0.000	0.000	0.000	0.000
260	A	297	ALA	0	-0.008	-0.008	40.361	0.000	0.000	0.000	0.000	0.000	0.000
261	A	298	GLN	0	-0.013	0.000	40.327	0.003	0.003	0.000	0.000	0.000	0.000
262	A	299	ILE	0	-0.030	-0.003	37.900	-0.006	-0.006	0.000	0.000	0.000	0.000
263	A	300	ASP	-1	-0.831	-0.896	38.305	0.115	0.115	0.000	0.000	0.000	0.000
264	A	301	LEU	0	0.002	0.012	32.547	0.002	0.002	0.000	0.000	0.000	0.000
265	A	302	LEU	0	-0.029	-0.014	32.727	0.007	0.007	0.000	0.000	0.000	0.000
266	A	303	PRO	0	0.007	-0.006	37.067	-0.007	-0.007	0.000	0.000	0.000	0.000
267	A	304	ASN	0	-0.039	-0.030	39.626	0.001	0.001	0.000	0.000	0.000	0.000
268	A	305	ARG	1	0.862	0.928	40.333	-0.102	-0.102	0.000	0.000	0.000	0.000
269	A	306	GLU	-1	-0.817	-0.874	34.745	0.126	0.126	0.000	0.000	0.000	0.000
270	A	307	PRO	0	0.035	0.030	35.618	0.008	0.008	0.000	0.000	0.000	0.000
271	A	308	LEU	0	0.004	0.013	30.735	0.007	0.007	0.000	0.000	0.000	0.000
272	A	309	SER	0	-0.015	-0.014	30.071	-0.014	-0.014	0.000	0.000	0.000	0.000
273	A	310	GLN	0	0.041	0.025	24.070	0.023	0.023	0.000	0.000	0.000	0.000
274	A	311	MET	0	-0.020	0.006	26.259	-0.009	-0.009	0.000	0.000	0.000	0.000
275	A	312	GLU	-1	-0.781	-0.874	21.053	0.309	0.309	0.000	0.000	0.000	0.000
276	A	313	VAL	0	0.027	0.010	23.753	0.008	0.008	0.000	0.000	0.000	0.000
277	A	314	PHE	0	-0.036	-0.019	20.700	0.034	0.034	0.000	0.000	0.000	0.000
278	A	315	ASP	-1	-0.686	-0.839	21.056	0.421	0.421	0.000	0.000	0.000	0.000
279	A	316	ALA	0	-0.032	-0.018	20.893	0.052	0.052	0.000	0.000	0.000	0.000
280	A	317	LYS	1	0.798	0.875	20.296	-0.400	-0.400	0.000	0.000	0.000	0.000
281	A	318	GLY	0	-0.045	-0.017	16.869	0.095	0.095	0.000	0.000	0.000	0.000
282	A	319	GLU	-1	-0.823	-0.907	16.625	0.513	0.513	0.000	0.000	0.000	0.000
283	A	320	ASN	0	-0.013	-0.017	16.765	-0.036	-0.036	0.000	0.000	0.000	0.000
284	A	321	VAL	0	0.012	0.010	18.951	-0.039	-0.039	0.000	0.000	0.000	0.000
285	A	322	VAL	0	-0.030	-0.014	20.298	-0.034	-0.034	0.000	0.000	0.000	0.000
286	A	323	SER	0	0.028	-0.009	21.929	0.015	0.015	0.000	0.000	0.000	0.000
287	A	324	SER	0	-0.041	-0.023	21.546	0.015	0.015	0.000	0.000	0.000	0.000
288	A	325	LEU	0	-0.038	-0.020	22.202	-0.004	-0.004	0.000	0.000	0.000	0.000
289	A	326	GLY	0	0.021	0.022	22.662	-0.005	-0.005	0.000	0.000	0.000	0.000
290	A	327	ASN	0	-0.045	-0.022	23.544	0.004	0.004	0.000	0.000	0.000	0.000
291	A	328	PHE	0	0.012	0.000	25.748	0.016	0.016	0.000	0.000	0.000	0.000
292	A	329	GLN	0	-0.055	-0.029	24.920	-0.009	-0.009	0.000	0.000	0.000	0.000
293	A	330	SER	0	0.049	0.002	27.632	0.003	0.003	0.000	0.000	0.000	0.000
294	A	331	GLU	-1	-0.880	-0.900	30.721	0.157	0.157	0.000	0.000	0.000	0.000
295	A	332	THR	0	-0.038	-0.038	33.394	-0.014	-0.014	0.000	0.000	0.000	0.000
296	A	333	PHE	0	-0.006	-0.035	33.043	0.014	0.014	0.000	0.000	0.000	0.000
297	A	334	ASN	0	-0.068	-0.043	33.836	0.005	0.005	0.000	0.000	0.000	0.000
298	A	335	GLU	-1	-0.831	-0.890	29.665	0.225	0.225	0.000	0.000	0.000	0.000
299	A	336	LEU	0	-0.043	0.002	28.492	0.021	0.021	0.000	0.000	0.000	0.000
300	A	337	ASN	0	-0.045	-0.037	25.993	-0.006	-0.006	0.000	0.000	0.000	0.000
301	A	338	VAL	0	-0.005	-0.006	25.724	0.011	0.011	0.000	0.000	0.000	0.000
302	A	339	ILE	0	-0.009	-0.002	20.610	0.000	0.000	0.000	0.000	0.000	0.000
303	A	340	THR	0	-0.002	-0.007	24.783	-0.017	-0.017	0.000	0.000	0.000	0.000
304	A	341	THR	0	-0.020	-0.015	24.471	0.014	0.014	0.000	0.000	0.000	0.000
305	A	342	ASP	-1	-0.647	-0.809	27.409	0.162	0.162	0.000	0.000	0.000	0.000
306	A	343	TYR	0	-0.020	0.003	29.401	-0.001	-0.001	0.000	0.000	0.000	0.000
307	A	344	LYS	1	0.769	0.862	30.776	-0.133	-0.133	0.000	0.000	0.000	0.000
308	A	345	LYS	1	0.769	0.868	26.567	-0.215	-0.215	0.000	0.000	0.000	0.000
309	A	346	ASN	0	-0.088	-0.048	26.430	0.024	0.024	0.000	0.000	0.000	0.000
310	A	347	VAL	0	0.083	0.050	21.623	-0.010	-0.010	0.000	0.000	0.000	0.000
311	A	348	PHE	0	-0.032	-0.032	24.808	0.010	0.010	0.000	0.000	0.000	0.000
312	A	349	LYS	1	0.922	0.967	21.086	-0.454	-0.454	0.000	0.000	0.000	0.000
313	A	350	PHE	0	0.009	-0.003	26.180	-0.016	-0.016	0.000	0.000	0.000	0.000
314	A	351	ASP	-1	-0.719	-0.856	28.574	0.214	0.214	0.000	0.000	0.000	0.000
315	A	352	GLY	0	0.053	0.034	30.805	-0.009	-0.009	0.000	0.000	0.000	0.000
316	A	353	ASN	0	-0.101	-0.063	33.155	-0.022	-0.022	0.000	0.000	0.000	0.000
317	A	354	GLY	0	0.041	0.027	34.311	-0.011	-0.011	0.000	0.000	0.000	0.000
318	A	355	ARG	1	0.870	0.934	31.536	-0.211	-0.211	0.000	0.000	0.000	0.000
319	A	356	MET	0	-0.005	0.008	29.948	0.021	0.021	0.000	0.000	0.000	0.000
320	A	357	LEU	0	-0.027	-0.006	26.982	-0.006	-0.006	0.000	0.000	0.000	0.000
321	A	358	GLY	0	-0.003	-0.008	26.363	0.006	0.006	0.000	0.000	0.000	0.000
322	A	359	LYS	1	0.848	0.920	25.269	-0.213	-0.213	0.000	0.000	0.000	0.000
323	A	360	VAL	0	0.017	0.027	18.747	0.016	0.016	0.000	0.000	0.000	0.000
324	A	361	GLY	0	0.071	0.026	20.178	-0.026	-0.026	0.000	0.000	0.000	0.000
325	A	362	ARG	1	0.776	0.854	20.888	-0.271	-0.271	0.000	0.000	0.000	0.000
326	A	363	ASP	-1	-0.795	-0.861	23.783	0.220	0.220	0.000	0.000	0.000	0.000
327	A	364	ASP	-1	-0.768	-0.850	19.910	0.282	0.282	0.000	0.000	0.000	0.000
328	A	365	ILE	0	-0.016	0.006	20.512	-0.016	-0.016	0.000	0.000	0.000	0.000
329	A	366	THR	0	-0.032	-0.027	23.207	-0.019	-0.019	0.000	0.000	0.000	0.000
330	A	367	GLY	0	0.010	0.011	25.815	-0.019	-0.019	0.000	0.000	0.000	0.000
331	A	368	SER	0	-0.050	-0.033	26.092	0.016	0.016	0.000	0.000	0.000	0.000
332	A	369	SER	0	0.045	0.028	22.585	0.006	0.006	0.000	0.000	0.000	0.000
333	A	370	THR	0	-0.030	-0.038	24.357	0.011	0.011	0.000	0.000	0.000	0.000
334	A	371	TYR	0	0.004	0.010	17.557	-0.022	-0.022	0.000	0.000	0.000	0.000
335	A	372	ILE	0	-0.051	-0.031	19.642	0.026	0.026	0.000	0.000	0.000	0.000
336	A	373	HIS	0	0.026	0.022	15.761	-0.014	-0.014	0.000	0.000	0.000	0.000
337	A	374	VAL	0	-0.029	-0.012	16.856	0.079	0.079	0.000	0.000	0.000	0.000
338	A	375	HIS	0	0.001	0.002	11.619	-0.078	-0.078	0.000	0.000	0.000	0.000
339	A	376	ASP	-1	-0.862	-0.940	12.370	0.847	0.847	0.000	0.000	0.000	0.000
340	A	377	GLY	0	0.023	0.022	14.711	0.059	0.059	0.000	0.000	0.000	0.000
341	A	378	LYS	1	0.897	0.943	8.496	-2.639	-2.639	0.000	0.000	0.000	0.000
342	A	379	TYR	0	0.022	0.005	6.702	0.173	0.173	0.000	0.000	0.000	0.000
343	A	380	LEU	0	-0.022	-0.007	13.389	-0.139	-0.139	0.000	0.000	0.000	0.000
344	A	381	LEU	0	0.024	0.016	12.030	0.083	0.083	0.000	0.000	0.000	0.000
345	A	382	GLN	0	0.004	-0.024	15.043	-0.052	-0.052	0.000	0.000	0.000	0.000
346	A	383	GLY	0	0.075	0.033	17.003	0.004	0.004	0.000	0.000	0.000	0.000
347	A	384	GLY	0	0.017	0.005	19.712	-0.002	-0.002	0.000	0.000	0.000	0.000
348	A	385	LEU	0	-0.012	-0.017	23.411	-0.016	-0.016	0.000	0.000	0.000	0.000
349	A	386	ASP	-1	-0.774	-0.867	22.080	0.202	0.202	0.000	0.000	0.000	0.000
350	A	387	ARG	1	0.791	0.895	22.176	-0.068	-0.068	0.000	0.000	0.000	0.000
351	A	388	TYR	0	0.000	0.007	17.991	-0.020	-0.020	0.000	0.000	0.000	0.000
352	A	389	VAL	0	0.002	0.009	13.290	0.017	0.017	0.000	0.000	0.000	0.000
353	A	390	ARG	1	0.732	0.827	13.906	-0.299	-0.299	0.000	0.000	0.000	0.000
354	A	391	ILE	0	0.030	0.028	9.408	-0.008	-0.008	0.000	0.000	0.000	0.000
355	A	392	PHE	0	-0.002	-0.011	12.321	-0.008	-0.008	0.000	0.000	0.000	0.000
356	A	393	ASP	-1	-0.787	-0.864	12.237	1.178	1.178	0.000	0.000	0.000	0.000
357	A	394	ILE	0	-0.030	-0.012	13.726	-0.144	-0.144	0.000	0.000	0.000	0.000
358	A	395	LYS	1	0.824	0.924	15.059	-0.998	-0.998	0.000	0.000	0.000	0.000
359	A	396	THR	0	-0.056	-0.070	15.478	-0.071	-0.071	0.000	0.000	0.000	0.000
360	A	397	ASN	0	-0.027	-0.018	17.837	-0.062	-0.062	0.000	0.000	0.000	0.000
361	A	398	LYS	1	0.910	0.969	11.699	-1.107	-1.107	0.000	0.000	0.000	0.000
362	A	399	MET	0	0.007	0.017	13.844	0.105	0.105	0.000	0.000	0.000	0.000
363	A	400	LEU	0	-0.068	-0.041	8.696	0.033	0.033	0.000	0.000	0.000	0.000
364	A	401	VAL	0	0.048	0.019	7.749	0.095	0.095	0.000	0.000	0.000	0.000
365	A	402	LYS	1	0.807	0.888	10.617	-0.292	-0.292	0.000	0.000	0.000	0.000
366	A	403	VAL	0	0.045	0.010	11.635	-0.057	-0.057	0.000	0.000	0.000	0.000
367	A	404	TYR	0	0.005	0.009	14.705	-0.002	-0.002	0.000	0.000	0.000	0.000
368	A	405	VAL	0	0.013	0.000	16.950	-0.037	-0.037	0.000	0.000	0.000	0.000
369	A	406	GLY	0	0.002	-0.001	19.426	-0.020	-0.020	0.000	0.000	0.000	0.000
370	A	407	SER	0	-0.069	-0.033	22.474	-0.011	-0.011	0.000	0.000	0.000	0.000
371	A	408	ARG	1	0.857	0.906	22.924	-0.046	-0.046	0.000	0.000	0.000	0.000
372	A	409	ILE	0	0.004	0.020	18.653	-0.015	-0.015	0.000	0.000	0.000	0.000
373	A	410	ASN	0	-0.010	-0.017	22.414	0.004	0.004	0.000	0.000	0.000	0.000
374	A	411	PHE	0	0.066	0.024	19.342	0.004	0.004	0.000	0.000	0.000	0.000
375	A	412	ILE	0	-0.024	-0.005	14.109	-0.025	-0.025	0.000	0.000	0.000	0.000
376	A	413	VAL	0	0.023	0.019	14.363	0.019	0.019	0.000	0.000	0.000	0.000
377	A	414	MET	0	-0.033	-0.016	7.926	0.083	0.083	0.000	0.000	0.000	0.000
378	A	415	LEU	0	-0.051	-0.028	9.280	-0.034	-0.034	0.000	0.000	0.000	0.000
379	A	416	ASP	-1	-0.874	-0.936	7.562	0.136	0.136	0.000	0.000	0.000	0.000
380	A	417	ASP	-1	-0.956	-0.997	2.423	0.911	3.532	2.536	-2.826	-2.331	-0.029
381	A	418	VAL	0	-0.087	-0.045	3.877	0.174	0.285	-0.001	-0.026	-0.085	0.000
382	A	419	GLU	-1	-0.864	-0.929	5.007	-3.647	-3.748	-0.001	-0.010	0.112	0.000
383	A	420	ILE	0	-0.109	-0.066	4.800	0.219	0.293	-0.001	-0.029	-0.044	0.000
384	A	421	GLU	-1	-0.963	-0.974	8.816	-0.751	-0.751	0.000	0.000	0.000	0.000

Top

Graph

Manual

About

Interactive mode: IFIE and PIEDA for fragment #1(A:4:GLY)