FMO DATABASE

FMODB ID: RM7J8

Calculation Name: 6K1M-C-Xray547

Preferred Name:

Target Type:

Ligand Name: pyridoxal-5'-phosphate | pyruvic acid

Ligand 3-letter code: PLP | PYR

Ligand of Interest (LOI):

Structure Source: PDB

PDB ID: 6K1M

Chain ID: C

ChEMBL ID:

UniProt ID: B4SII9

Base Structure: X-ray

Registration Date: 2025-10-04

Reference: Sci Data 11, 1164 (2024).

DOI: https://doi.org/10.1038/s41597-024-03999-2

Apendix: None

IFIE MAP

IFIE Diagram

Modeling method

Optimization	MOE:Amber10:EHT
Restraint	OptAll
Protonation	MOE:Protonate 3D
Complement	MOE:Homology Modeling
Water	No
Procedure	Manual calculation
Remarks	ac.sh, 23 2024 Oct; Missing atoms/residues were imported from a 100% homology model, which was constructed by MOE.

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	382
LigandResidueName
LigandFragmentNumber	0
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23 (BINDS Ver. 1) / 20230922

Total energy (hartree)

FMO2-HF: Electronic energy	-6033710.726827
FMO2-HF: Nuclear repulsion	5890059.440458
FMO2-HF: Total energy	-143651.286369
FMO2-MP2: Total energy	-144067.986027

3D Structure Molmil

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:9:ARG)

Summations of interaction energy for fragment #1(A:9:ARG)

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.
-95.675	-93.992	-0.007	-0.585	-1.092	-0.001

Interaction energy analysis for fragmet #1(A:9:ARG)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 2 / q_Mulliken : 1.827 / q_NPA : 1.899

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	11	LEU	0	0.013	0.005	3.559	1.169	2.852	-0.007	-0.585	-1.092	-0.001
4	A	12	ALA	0	0.077	0.042	5.985	3.907	3.907	0.000	0.000	0.000	0.000
5	A	13	LEU	0	0.074	0.033	9.780	-1.147	-1.147	0.000	0.000	0.000	0.000
6	A	14	ALA	0	0.019	0.000	12.403	0.995	0.995	0.000	0.000	0.000	0.000
7	A	15	THR	0	-0.020	-0.005	7.419	0.612	0.612	0.000	0.000	0.000	0.000
8	A	16	LEU	0	-0.007	-0.005	7.440	-0.203	-0.203	0.000	0.000	0.000	0.000
9	A	17	ALA	0	0.045	0.028	10.622	1.283	1.283	0.000	0.000	0.000	0.000
10	A	18	ILE	0	-0.042	-0.023	12.599	2.203	2.203	0.000	0.000	0.000	0.000
11	A	19	HIS	0	0.023	-0.010	8.594	0.195	0.195	0.000	0.000	0.000	0.000
12	A	20	GLY	0	0.012	0.019	9.631	-3.345	-3.345	0.000	0.000	0.000	0.000
13	A	21	GLY	0	0.000	0.018	9.702	3.624	3.624	0.000	0.000	0.000	0.000
14	A	22	GLN	0	-0.078	-0.060	10.776	5.211	5.211	0.000	0.000	0.000	0.000
15	A	23	SER	0	0.005	-0.003	10.455	-4.150	-4.150	0.000	0.000	0.000	0.000
16	A	24	PRO	0	-0.025	-0.011	12.444	1.761	1.761	0.000	0.000	0.000	0.000
17	A	25	ASP	-1	-0.792	-0.890	15.526	-27.631	-27.631	0.000	0.000	0.000	0.000
18	A	26	PRO	0	-0.033	-0.017	16.298	0.075	0.075	0.000	0.000	0.000	0.000
19	A	27	SER	0	-0.079	-0.042	17.809	0.744	0.744	0.000	0.000	0.000	0.000
20	A	28	THR	0	-0.003	-0.012	21.119	0.770	0.770	0.000	0.000	0.000	0.000
21	A	29	GLY	0	0.023	0.023	18.205	0.208	0.208	0.000	0.000	0.000	0.000
22	A	30	ALA	0	-0.025	-0.007	18.629	-0.621	-0.621	0.000	0.000	0.000	0.000
23	A	31	VAL	0	0.021	-0.008	16.243	-0.952	-0.952	0.000	0.000	0.000	0.000
24	A	32	MET	0	-0.032	-0.006	16.506	-1.734	-1.734	0.000	0.000	0.000	0.000
25	A	33	PRO	0	0.010	0.016	17.814	0.668	0.668	0.000	0.000	0.000	0.000
26	A	34	PRO	0	0.048	0.016	19.997	0.910	0.910	0.000	0.000	0.000	0.000
27	A	35	ILE	0	0.002	0.013	23.676	-0.455	-0.455	0.000	0.000	0.000	0.000
28	A	36	TYR	0	0.018	0.008	22.493	1.072	1.072	0.000	0.000	0.000	0.000
29	A	37	ALA	0	-0.030	-0.011	27.195	0.179	0.179	0.000	0.000	0.000	0.000
30	A	38	THR	0	0.022	0.010	29.198	0.886	0.886	0.000	0.000	0.000	0.000
31	A	39	SER	0	0.008	0.012	31.401	-0.434	-0.434	0.000	0.000	0.000	0.000
32	A	40	THR	0	-0.014	-0.006	32.373	-0.295	-0.295	0.000	0.000	0.000	0.000
33	A	41	TYR	0	0.023	0.007	26.486	-0.599	-0.599	0.000	0.000	0.000	0.000
34	A	42	ALA	0	-0.004	0.008	30.800	0.410	0.410	0.000	0.000	0.000	0.000
35	A	43	GLN	0	0.000	-0.005	30.248	-0.427	-0.427	0.000	0.000	0.000	0.000
36	A	44	SER	0	-0.073	-0.036	30.442	0.464	0.464	0.000	0.000	0.000	0.000
37	A	45	SER	0	-0.014	-0.018	32.512	0.744	0.744	0.000	0.000	0.000	0.000
38	A	46	PRO	0	-0.026	-0.028	33.596	-0.385	-0.385	0.000	0.000	0.000	0.000
39	A	47	GLY	0	0.048	0.036	32.498	0.088	0.088	0.000	0.000	0.000	0.000
40	A	48	GLU	-1	-0.920	-0.932	29.616	-19.005	-19.005	0.000	0.000	0.000	0.000
41	A	49	HIS	0	0.051	0.022	26.514	-0.305	-0.305	0.000	0.000	0.000	0.000
42	A	50	GLN	0	-0.023	-0.023	23.151	0.090	0.090	0.000	0.000	0.000	0.000
43	A	51	GLY	0	0.002	0.006	22.521	-1.172	-1.172	0.000	0.000	0.000	0.000
44	A	52	PHE	0	-0.075	-0.042	20.604	-0.443	-0.443	0.000	0.000	0.000	0.000
45	A	53	GLU	-1	-0.883	-0.932	26.028	-19.266	-19.266	0.000	0.000	0.000	0.000
46	A	54	TYR	0	0.017	-0.016	29.626	0.614	0.614	0.000	0.000	0.000	0.000
47	A	55	SER	0	-0.010	-0.027	28.927	-0.735	-0.735	0.000	0.000	0.000	0.000
48	A	56	ARG	1	0.850	0.939	29.091	17.108	17.108	0.000	0.000	0.000	0.000
49	A	57	THR	0	0.010	0.009	27.970	-0.393	-0.393	0.000	0.000	0.000	0.000
50	A	58	HIS	0	0.049	0.020	24.405	-0.455	-0.455	0.000	0.000	0.000	0.000
51	A	59	ASN	0	-0.019	-0.024	24.493	0.021	0.021	0.000	0.000	0.000	0.000
52	A	60	PRO	0	0.018	0.026	20.962	-0.809	-0.809	0.000	0.000	0.000	0.000
53	A	61	THR	0	-0.003	-0.009	20.591	-1.014	-1.014	0.000	0.000	0.000	0.000
54	A	62	ARG	1	0.816	0.919	21.802	22.234	22.234	0.000	0.000	0.000	0.000
55	A	63	PHE	0	0.038	0.012	19.095	-0.916	-0.916	0.000	0.000	0.000	0.000
56	A	64	ALA	0	-0.038	-0.008	17.089	-1.705	-1.705	0.000	0.000	0.000	0.000
57	A	65	TYR	0	0.047	0.020	17.157	-1.780	-1.780	0.000	0.000	0.000	0.000
58	A	66	GLU	-1	-0.743	-0.869	19.153	-26.419	-26.419	0.000	0.000	0.000	0.000
59	A	67	ARG	1	0.885	0.932	13.653	35.792	35.792	0.000	0.000	0.000	0.000
60	A	68	CYS	0	-0.049	0.014	14.315	-1.637	-1.637	0.000	0.000	0.000	0.000
61	A	69	VAL	0	0.054	0.018	15.112	-1.337	-1.337	0.000	0.000	0.000	0.000
62	A	70	ALA	0	0.022	0.016	16.126	-0.243	-0.243	0.000	0.000	0.000	0.000
63	A	71	SER	0	-0.046	-0.031	10.995	-1.770	-1.770	0.000	0.000	0.000	0.000
64	A	72	LEU	0	-0.025	-0.021	12.547	-1.889	-1.889	0.000	0.000	0.000	0.000
65	A	73	GLU	-1	-0.701	-0.874	14.664	-29.325	-29.325	0.000	0.000	0.000	0.000
66	A	74	GLY	0	-0.049	-0.002	13.590	0.168	0.168	0.000	0.000	0.000	0.000
67	A	75	GLY	0	0.014	0.003	14.651	0.432	0.432	0.000	0.000	0.000	0.000
68	A	76	THR	0	-0.096	-0.057	15.133	-1.962	-1.962	0.000	0.000	0.000	0.000
69	A	77	ARG	1	0.926	0.963	16.394	27.130	27.130	0.000	0.000	0.000	0.000
70	A	78	GLY	0	0.027	0.026	19.011	0.503	0.503	0.000	0.000	0.000	0.000
71	A	79	PHE	0	-0.046	-0.023	20.699	0.136	0.136	0.000	0.000	0.000	0.000
72	A	80	ALA	0	0.013	-0.007	24.191	0.424	0.424	0.000	0.000	0.000	0.000
73	A	81	PHE	0	0.003	-0.020	25.922	0.542	0.542	0.000	0.000	0.000	0.000
74	A	82	ALA	0	0.035	0.011	29.665	-0.202	-0.202	0.000	0.000	0.000	0.000
75	A	83	SER	0	0.026	0.007	32.181	0.376	0.376	0.000	0.000	0.000	0.000
76	A	84	GLY	0	0.069	0.031	30.754	-0.292	-0.292	0.000	0.000	0.000	0.000
77	A	85	MET	0	-0.022	0.013	31.706	-0.002	-0.002	0.000	0.000	0.000	0.000
78	A	86	ALA	0	0.015	0.031	33.232	0.250	0.250	0.000	0.000	0.000	0.000
79	A	87	ALA	0	0.010	0.029	29.328	-0.031	-0.031	0.000	0.000	0.000	0.000
80	A	88	SER	0	0.003	-0.023	31.119	-0.072	-0.072	0.000	0.000	0.000	0.000
81	A	89	SER	0	-0.053	-0.057	33.371	0.198	0.198	0.000	0.000	0.000	0.000
82	A	90	THR	0	0.033	0.005	31.413	0.335	0.335	0.000	0.000	0.000	0.000
83	A	91	VAL	0	0.013	0.004	29.665	0.010	0.010	0.000	0.000	0.000	0.000
84	A	92	ILE	0	-0.024	-0.021	32.433	0.173	0.173	0.000	0.000	0.000	0.000
85	A	93	GLU	-1	-0.910	-0.937	35.471	-15.943	-15.943	0.000	0.000	0.000	0.000
86	A	94	LEU	0	-0.020	-0.006	30.071	-0.095	-0.095	0.000	0.000	0.000	0.000
87	A	95	LEU	0	-0.070	-0.028	34.562	0.037	0.037	0.000	0.000	0.000	0.000
88	A	96	ASP	-1	-0.860	-0.911	37.950	-15.657	-15.657	0.000	0.000	0.000	0.000
89	A	97	ALA	0	0.007	-0.006	41.081	0.073	0.073	0.000	0.000	0.000	0.000
90	A	98	GLY	0	-0.033	-0.008	44.304	0.156	0.156	0.000	0.000	0.000	0.000
91	A	99	SER	0	-0.065	-0.039	40.784	0.033	0.033	0.000	0.000	0.000	0.000
92	A	100	HIS	0	-0.010	0.008	42.203	-0.120	-0.120	0.000	0.000	0.000	0.000
93	A	101	VAL	0	-0.007	0.003	37.493	-0.487	-0.487	0.000	0.000	0.000	0.000
94	A	102	VAL	0	0.020	0.017	38.004	0.387	0.387	0.000	0.000	0.000	0.000
95	A	103	ALA	0	-0.016	-0.016	37.352	-0.587	-0.587	0.000	0.000	0.000	0.000
96	A	104	MET	0	0.008	0.032	35.835	0.343	0.343	0.000	0.000	0.000	0.000
97	A	105	ASP	-1	-0.776	-0.882	37.944	-15.048	-15.048	0.000	0.000	0.000	0.000
98	A	106	ASP	-1	-0.790	-0.875	38.836	-15.579	-15.579	0.000	0.000	0.000	0.000
99	A	107	ILE	0	-0.013	0.005	36.440	-0.488	-0.488	0.000	0.000	0.000	0.000
100	A	108	TYR	0	-0.012	-0.028	36.037	0.482	0.482	0.000	0.000	0.000	0.000
101	A	109	GLY	0	0.022	0.004	38.021	0.122	0.122	0.000	0.000	0.000	0.000
102	A	110	GLY	0	-0.042	-0.029	39.222	0.319	0.319	0.000	0.000	0.000	0.000
103	A	111	SER	0	0.058	0.016	35.511	0.151	0.151	0.000	0.000	0.000	0.000
104	A	112	PHE	0	0.061	0.041	38.423	0.246	0.246	0.000	0.000	0.000	0.000
105	A	113	ARG	1	0.918	0.956	41.022	15.010	15.010	0.000	0.000	0.000	0.000
106	A	114	LEU	0	-0.005	-0.001	37.482	0.286	0.286	0.000	0.000	0.000	0.000
107	A	115	PHE	0	0.024	0.014	36.351	0.150	0.150	0.000	0.000	0.000	0.000
108	A	116	GLU	-1	-0.781	-0.871	42.266	-13.309	-13.309	0.000	0.000	0.000	0.000
109	A	117	ARG	1	0.892	0.939	45.648	13.352	13.352	0.000	0.000	0.000	0.000
110	A	118	VAL	0	-0.059	-0.017	43.556	0.208	0.208	0.000	0.000	0.000	0.000
111	A	119	ARG	1	0.832	0.889	38.079	16.201	16.201	0.000	0.000	0.000	0.000
112	A	120	ARG	1	0.832	0.904	43.991	13.464	13.464	0.000	0.000	0.000	0.000
113	A	121	ARG	1	0.913	0.960	46.750	13.051	13.051	0.000	0.000	0.000	0.000
114	A	122	THR	0	-0.078	-0.054	44.552	0.215	0.215	0.000	0.000	0.000	0.000
115	A	123	ALA	0	0.018	0.012	43.274	-0.048	-0.048	0.000	0.000	0.000	0.000
116	A	124	GLY	0	0.016	0.012	45.310	-0.091	-0.091	0.000	0.000	0.000	0.000
117	A	125	LEU	0	-0.039	-0.001	40.728	0.050	0.050	0.000	0.000	0.000	0.000
118	A	126	ASP	-1	-0.824	-0.914	44.676	-13.241	-13.241	0.000	0.000	0.000	0.000
119	A	127	PHE	0	-0.008	-0.012	39.673	-0.441	-0.441	0.000	0.000	0.000	0.000
120	A	128	SER	0	-0.008	0.002	42.658	0.459	0.459	0.000	0.000	0.000	0.000
121	A	129	PHE	0	-0.024	-0.010	40.999	-0.409	-0.409	0.000	0.000	0.000	0.000
122	A	130	VAL	0	0.008	-0.005	40.459	0.418	0.418	0.000	0.000	0.000	0.000
123	A	131	ASP	-1	-0.738	-0.837	39.569	-15.949	-15.949	0.000	0.000	0.000	0.000
124	A	132	LEU	0	-0.006	-0.023	34.798	-0.018	-0.018	0.000	0.000	0.000	0.000
125	A	133	THR	0	-0.096	-0.070	35.576	-0.387	-0.387	0.000	0.000	0.000	0.000
126	A	134	ASP	-1	-0.848	-0.912	37.071	-14.764	-14.764	0.000	0.000	0.000	0.000
127	A	135	LEU	0	0.024	-0.010	33.842	-0.028	-0.028	0.000	0.000	0.000	0.000
128	A	136	ALA	0	-0.013	0.001	37.836	-0.033	-0.033	0.000	0.000	0.000	0.000
129	A	137	ALA	0	0.002	-0.001	41.300	0.185	0.185	0.000	0.000	0.000	0.000
130	A	138	PHE	0	-0.010	-0.006	34.558	0.020	0.020	0.000	0.000	0.000	0.000
131	A	139	GLU	-1	-0.785	-0.862	38.583	-16.184	-16.184	0.000	0.000	0.000	0.000
132	A	140	ALA	0	-0.031	-0.016	40.059	0.169	0.169	0.000	0.000	0.000	0.000
133	A	141	SER	0	-0.074	-0.044	40.943	0.235	0.235	0.000	0.000	0.000	0.000
134	A	142	ILE	0	-0.054	-0.019	37.529	-0.065	-0.065	0.000	0.000	0.000	0.000
135	A	143	THR	0	0.005	-0.006	41.619	0.381	0.381	0.000	0.000	0.000	0.000
136	A	144	PRO	0	-0.013	-0.033	42.554	-0.284	-0.284	0.000	0.000	0.000	0.000
137	A	145	LYS	1	0.964	0.988	43.475	13.185	13.185	0.000	0.000	0.000	0.000
138	A	146	THR	0	-0.026	-0.008	38.495	-0.061	-0.061	0.000	0.000	0.000	0.000
139	A	147	LYS	1	0.940	0.966	35.456	17.137	17.137	0.000	0.000	0.000	0.000
140	A	148	MET	0	-0.044	-0.001	32.729	-0.509	-0.509	0.000	0.000	0.000	0.000
141	A	149	VAL	0	0.009	0.012	32.273	0.558	0.558	0.000	0.000	0.000	0.000
142	A	150	TRP	0	0.015	0.005	32.760	-0.670	-0.670	0.000	0.000	0.000	0.000
143	A	151	ILE	0	0.005	-0.008	29.747	0.570	0.570	0.000	0.000	0.000	0.000
144	A	152	GLU	-1	-0.806	-0.904	31.317	-18.149	-18.149	0.000	0.000	0.000	0.000
145	A	153	THR	0	0.023	0.018	28.511	0.612	0.612	0.000	0.000	0.000	0.000
146	A	154	PRO	0	0.008	-0.002	28.890	-0.791	-0.791	0.000	0.000	0.000	0.000
147	A	155	THR	0	-0.067	-0.033	32.016	-0.215	-0.215	0.000	0.000	0.000	0.000
148	A	156	ASN	0	-0.005	0.018	34.967	0.501	0.501	0.000	0.000	0.000	0.000
149	A	157	PRO	0	-0.022	-0.024	36.745	0.256	0.256	0.000	0.000	0.000	0.000
150	A	158	MET	0	-0.015	-0.007	38.907	0.083	0.083	0.000	0.000	0.000	0.000
151	A	159	LEU	0	-0.050	-0.017	33.723	-0.057	-0.057	0.000	0.000	0.000	0.000
152	A	160	LYS	1	0.813	0.888	35.252	15.289	15.289	0.000	0.000	0.000	0.000
153	A	161	ILE	0	-0.017	-0.024	30.160	-0.456	-0.456	0.000	0.000	0.000	0.000
154	A	162	VAL	0	0.031	0.004	31.678	0.401	0.401	0.000	0.000	0.000	0.000
155	A	163	ASP	-1	-0.846	-0.916	28.797	-21.419	-21.419	0.000	0.000	0.000	0.000
156	A	164	ILE	0	0.005	-0.014	25.493	0.296	0.296	0.000	0.000	0.000	0.000
157	A	165	ALA	0	0.047	0.037	25.050	0.037	0.037	0.000	0.000	0.000	0.000
158	A	166	ALA	0	-0.030	-0.017	26.849	0.304	0.304	0.000	0.000	0.000	0.000
159	A	167	VAL	0	0.014	0.003	30.496	0.450	0.450	0.000	0.000	0.000	0.000
160	A	168	ALA	0	0.014	0.005	27.293	0.400	0.400	0.000	0.000	0.000	0.000
161	A	169	ALA	0	-0.019	-0.010	28.816	0.177	0.177	0.000	0.000	0.000	0.000
162	A	170	ILE	0	-0.053	-0.017	30.015	0.387	0.387	0.000	0.000	0.000	0.000
163	A	171	ALA	0	0.017	-0.003	31.451	0.366	0.366	0.000	0.000	0.000	0.000
164	A	172	LYS	1	0.834	0.891	25.841	23.409	23.409	0.000	0.000	0.000	0.000
165	A	173	ARG	1	0.852	0.926	31.206	17.578	17.578	0.000	0.000	0.000	0.000
166	A	174	HIS	1	0.798	0.887	34.036	16.648	16.648	0.000	0.000	0.000	0.000
167	A	175	GLY	0	0.020	0.025	33.182	0.280	0.280	0.000	0.000	0.000	0.000
168	A	176	LEU	0	-0.089	-0.038	33.604	0.182	0.182	0.000	0.000	0.000	0.000
169	A	177	ILE	0	0.017	0.010	29.681	-0.636	-0.636	0.000	0.000	0.000	0.000
170	A	178	VAL	0	-0.013	-0.007	27.927	0.580	0.580	0.000	0.000	0.000	0.000
171	A	179	VAL	0	0.011	0.002	28.066	-0.948	-0.948	0.000	0.000	0.000	0.000
172	A	180	VAL	0	0.018	0.003	26.452	0.592	0.592	0.000	0.000	0.000	0.000
173	A	181	ASP	-1	-0.848	-0.890	27.130	-21.167	-21.167	0.000	0.000	0.000	0.000
174	A	182	ASN	0	0.021	-0.020	22.341	1.048	1.048	0.000	0.000	0.000	0.000
175	A	183	THR	0	-0.047	-0.053	25.838	-0.469	-0.469	0.000	0.000	0.000	0.000
176	A	184	PHE	0	-0.027	-0.028	27.613	0.099	0.099	0.000	0.000	0.000	0.000
177	A	185	ALA	0	0.011	0.032	25.072	0.194	0.194	0.000	0.000	0.000	0.000
178	A	186	SER	0	-0.012	-0.018	22.020	-1.194	-1.194	0.000	0.000	0.000	0.000
179	A	187	PRO	0	0.056	0.019	17.285	0.065	0.065	0.000	0.000	0.000	0.000
180	A	188	MET	0	-0.097	-0.034	16.294	-2.138	-2.138	0.000	0.000	0.000	0.000
181	A	189	LEU	0	-0.072	-0.012	19.034	-0.045	-0.045	0.000	0.000	0.000	0.000
182	A	190	GLN	0	0.048	0.008	20.949	0.333	0.333	0.000	0.000	0.000	0.000
183	A	191	ARG	1	0.849	0.920	12.235	41.174	41.174	0.000	0.000	0.000	0.000
184	A	192	PRO	0	0.015	0.001	19.989	-0.102	-0.102	0.000	0.000	0.000	0.000
185	A	193	LEU	0	-0.015	0.003	18.414	0.585	0.585	0.000	0.000	0.000	0.000
186	A	194	GLU	-1	-0.867	-0.919	14.679	-37.825	-37.825	0.000	0.000	0.000	0.000
187	A	195	LEU	0	-0.050	-0.016	18.852	0.555	0.555	0.000	0.000	0.000	0.000
188	A	196	GLY	0	0.039	0.021	21.865	1.253	1.253	0.000	0.000	0.000	0.000
189	A	197	ALA	0	-0.028	-0.016	23.581	0.999	0.999	0.000	0.000	0.000	0.000
190	A	198	ASP	-1	-0.828	-0.893	23.462	-23.865	-23.865	0.000	0.000	0.000	0.000
191	A	199	LEU	0	-0.024	-0.026	24.652	-0.669	-0.669	0.000	0.000	0.000	0.000
192	A	200	VAL	0	-0.005	0.007	22.188	0.515	0.515	0.000	0.000	0.000	0.000
193	A	201	LEU	0	-0.028	-0.006	24.667	-0.319	-0.319	0.000	0.000	0.000	0.000
194	A	202	HIS	0	0.008	-0.014	22.164	0.739	0.739	0.000	0.000	0.000	0.000
195	A	203	SER	0	0.010	-0.009	26.788	0.506	0.506	0.000	0.000	0.000	0.000
196	A	204	ALA	0	0.027	-0.003	25.596	0.036	0.036	0.000	0.000	0.000	0.000
197	A	205	THR	0	-0.018	-0.010	26.992	-0.314	-0.314	0.000	0.000	0.000	0.000
198	A	206	LYS	1	0.898	0.973	28.960	19.203	19.203	0.000	0.000	0.000	0.000
199	A	207	TYR	0	0.082	0.050	25.046	-0.274	-0.274	0.000	0.000	0.000	0.000
200	A	208	LEU	0	-0.028	-0.003	21.272	-0.655	-0.655	0.000	0.000	0.000	0.000
201	A	209	ASN	0	-0.008	-0.018	23.014	-1.329	-1.329	0.000	0.000	0.000	0.000
202	A	210	GLY	0	0.009	0.008	25.471	-0.326	-0.326	0.000	0.000	0.000	0.000
203	A	211	HIS	0	-0.085	-0.052	25.113	0.299	0.299	0.000	0.000	0.000	0.000
204	A	212	SER	0	-0.068	-0.067	29.755	0.302	0.302	0.000	0.000	0.000	0.000
205	A	213	ASP	-1	-0.825	-0.898	30.197	-19.689	-19.689	0.000	0.000	0.000	0.000
206	A	214	MET	0	-0.076	-0.012	27.817	0.085	0.085	0.000	0.000	0.000	0.000
207	A	215	VAL	0	-0.028	-0.023	31.911	-0.009	-0.009	0.000	0.000	0.000	0.000
208	A	216	GLY	0	0.095	0.037	29.176	-0.196	-0.196	0.000	0.000	0.000	0.000
209	A	217	GLY	0	-0.117	-0.051	28.400	0.365	0.365	0.000	0.000	0.000	0.000
210	A	218	MET	0	-0.056	-0.003	21.667	-0.470	-0.470	0.000	0.000	0.000	0.000
211	A	219	VAL	0	0.015	0.013	24.902	0.502	0.502	0.000	0.000	0.000	0.000
212	A	220	VAL	0	-0.035	-0.016	18.680	-0.892	-0.892	0.000	0.000	0.000	0.000
213	A	221	VAL	0	0.039	0.023	21.256	0.949	0.949	0.000	0.000	0.000	0.000
214	A	222	GLY	0	0.084	0.035	19.120	-1.724	-1.724	0.000	0.000	0.000	0.000
215	A	223	GLU	-1	-0.929	-0.967	15.988	-36.343	-36.343	0.000	0.000	0.000	0.000
216	A	224	ASN	0	-0.022	0.001	19.377	0.597	0.597	0.000	0.000	0.000	0.000
217	A	225	ALA	0	0.059	0.015	21.953	0.245	0.245	0.000	0.000	0.000	0.000
218	A	226	GLU	-1	-0.854	-0.913	23.247	-20.179	-20.179	0.000	0.000	0.000	0.000
219	A	227	LEU	0	0.029	0.014	25.633	0.446	0.446	0.000	0.000	0.000	0.000
220	A	228	ALA	0	-0.021	-0.016	22.357	0.223	0.223	0.000	0.000	0.000	0.000
221	A	229	GLU	-1	-0.970	-0.976	24.371	-21.635	-21.635	0.000	0.000	0.000	0.000
222	A	230	GLN	0	-0.016	-0.018	26.503	0.452	0.452	0.000	0.000	0.000	0.000
223	A	231	MET	0	0.016	0.005	26.140	0.816	0.816	0.000	0.000	0.000	0.000
224	A	232	ALA	0	-0.026	-0.010	25.141	0.252	0.252	0.000	0.000	0.000	0.000
225	A	233	PHE	0	0.002	0.004	27.084	0.526	0.526	0.000	0.000	0.000	0.000
226	A	234	LEU	0	0.030	0.020	30.593	0.599	0.599	0.000	0.000	0.000	0.000
227	A	235	GLN	0	-0.063	-0.039	25.589	0.176	0.176	0.000	0.000	0.000	0.000
228	A	236	ASN	0	0.000	-0.011	29.791	0.513	0.513	0.000	0.000	0.000	0.000
229	A	237	SER	0	-0.048	-0.030	31.403	0.613	0.613	0.000	0.000	0.000	0.000
230	A	238	VAL	0	0.011	0.011	34.462	0.533	0.533	0.000	0.000	0.000	0.000
231	A	239	GLY	0	-0.024	-0.005	33.589	0.347	0.347	0.000	0.000	0.000	0.000
232	A	240	GLY	0	-0.001	0.015	34.181	0.010	0.010	0.000	0.000	0.000	0.000
233	A	241	VAL	0	-0.011	-0.017	29.187	-0.408	-0.408	0.000	0.000	0.000	0.000
234	A	242	GLN	0	-0.066	-0.033	26.807	0.095	0.095	0.000	0.000	0.000	0.000
235	A	243	GLY	0	0.078	0.037	28.784	-0.207	-0.207	0.000	0.000	0.000	0.000
236	A	244	PRO	0	0.017	0.001	26.853	-0.637	-0.637	0.000	0.000	0.000	0.000
237	A	245	PHE	0	0.042	0.009	26.611	-0.765	-0.765	0.000	0.000	0.000	0.000
238	A	246	ASP	-1	-0.838	-0.922	27.805	-19.878	-19.878	0.000	0.000	0.000	0.000
239	A	247	SER	0	-0.018	-0.029	23.807	-0.755	-0.755	0.000	0.000	0.000	0.000
240	A	248	PHE	0	-0.025	-0.010	22.845	-1.096	-1.096	0.000	0.000	0.000	0.000
241	A	249	LEU	0	-0.017	0.002	23.634	-0.815	-0.815	0.000	0.000	0.000	0.000
242	A	250	ALA	0	0.073	0.037	24.052	-0.606	-0.606	0.000	0.000	0.000	0.000
243	A	251	LEU	0	-0.037	-0.020	16.951	-1.018	-1.018	0.000	0.000	0.000	0.000
244	A	252	ARG	1	0.936	0.969	19.538	21.243	21.243	0.000	0.000	0.000	0.000
245	A	253	GLY	0	0.045	0.027	21.778	-0.342	-0.342	0.000	0.000	0.000	0.000
246	A	254	LEU	0	0.014	0.004	18.063	-0.441	-0.441	0.000	0.000	0.000	0.000
247	A	255	LYS	1	0.840	0.932	16.066	32.248	32.248	0.000	0.000	0.000	0.000
248	A	256	THR	0	0.024	0.020	18.335	-0.159	-0.159	0.000	0.000	0.000	0.000
249	A	257	LEU	0	0.016	0.026	18.770	0.594	0.594	0.000	0.000	0.000	0.000
250	A	258	PRO	0	-0.018	-0.023	16.055	0.524	0.524	0.000	0.000	0.000	0.000
251	A	259	LEU	0	-0.051	-0.021	18.760	0.426	0.426	0.000	0.000	0.000	0.000
252	A	260	ARG	1	0.844	0.908	21.487	25.251	25.251	0.000	0.000	0.000	0.000
253	A	261	MET	0	0.011	0.016	21.853	1.060	1.060	0.000	0.000	0.000	0.000
254	A	262	LYS	1	0.955	0.982	20.789	26.637	26.637	0.000	0.000	0.000	0.000
255	A	263	ALA	0	0.009	0.013	23.743	0.566	0.566	0.000	0.000	0.000	0.000
256	A	264	HIS	0	-0.012	-0.031	26.154	0.048	0.048	0.000	0.000	0.000	0.000
257	A	265	CYS	0	-0.055	-0.017	25.803	0.604	0.604	0.000	0.000	0.000	0.000
258	A	266	ALA	0	-0.022	0.000	28.000	0.525	0.525	0.000	0.000	0.000	0.000
259	A	267	ASN	0	0.013	-0.011	29.703	0.627	0.627	0.000	0.000	0.000	0.000
260	A	268	ALA	0	-0.008	0.003	31.700	0.649	0.649	0.000	0.000	0.000	0.000
261	A	269	LEU	0	0.001	0.003	30.551	0.546	0.546	0.000	0.000	0.000	0.000
262	A	270	ALA	0	-0.002	0.001	33.440	0.560	0.560	0.000	0.000	0.000	0.000
263	A	271	LEU	0	0.024	0.010	35.557	0.579	0.579	0.000	0.000	0.000	0.000
264	A	272	ALA	0	-0.002	0.004	36.387	0.538	0.538	0.000	0.000	0.000	0.000
265	A	273	GLN	0	-0.018	-0.026	34.601	0.577	0.577	0.000	0.000	0.000	0.000
266	A	274	TRP	0	-0.035	-0.011	39.108	0.382	0.382	0.000	0.000	0.000	0.000
267	A	275	LEU	0	0.013	-0.006	40.244	0.427	0.427	0.000	0.000	0.000	0.000
268	A	276	ASP	-1	-0.908	-0.964	41.706	-14.238	-14.238	0.000	0.000	0.000	0.000
269	A	277	LYS	1	0.871	0.948	41.321	14.969	14.969	0.000	0.000	0.000	0.000
270	A	278	HIS	0	0.046	0.035	46.200	0.366	0.366	0.000	0.000	0.000	0.000
271	A	279	PRO	0	0.003	0.000	47.958	0.070	0.070	0.000	0.000	0.000	0.000
272	A	280	ALA	0	0.029	0.015	50.318	0.201	0.201	0.000	0.000	0.000	0.000
273	A	281	VAL	0	-0.012	-0.002	45.227	0.058	0.058	0.000	0.000	0.000	0.000
274	A	282	GLU	-1	-1.002	-1.002	48.650	-12.059	-12.059	0.000	0.000	0.000	0.000
275	A	283	LYS	1	0.945	0.971	43.102	14.059	14.059	0.000	0.000	0.000	0.000
276	A	284	VAL	0	0.035	0.030	39.677	-0.072	-0.072	0.000	0.000	0.000	0.000
277	A	285	ILE	0	-0.052	-0.024	38.450	0.016	0.016	0.000	0.000	0.000	0.000
278	A	286	TYR	0	0.057	-0.006	30.924	-0.160	-0.160	0.000	0.000	0.000	0.000
279	A	287	PRO	0	0.024	0.020	31.645	0.198	0.198	0.000	0.000	0.000	0.000
280	A	288	GLY	0	0.025	0.006	31.922	-0.286	-0.286	0.000	0.000	0.000	0.000
281	A	289	LEU	0	-0.042	-0.018	32.743	0.057	0.057	0.000	0.000	0.000	0.000
282	A	290	PRO	0	0.018	0.002	36.306	-0.056	-0.056	0.000	0.000	0.000	0.000
283	A	291	SER	0	-0.013	-0.002	37.310	0.089	0.089	0.000	0.000	0.000	0.000
284	A	292	HIS	0	-0.042	-0.008	35.550	0.311	0.311	0.000	0.000	0.000	0.000
285	A	293	PRO	0	0.006	-0.005	37.205	-0.205	-0.205	0.000	0.000	0.000	0.000
286	A	294	GLN	0	0.030	0.011	33.516	-0.206	-0.206	0.000	0.000	0.000	0.000
287	A	295	HIS	0	-0.025	-0.008	32.468	-0.593	-0.593	0.000	0.000	0.000	0.000
288	A	296	GLU	-1	-0.891	-0.962	31.098	-18.316	-18.316	0.000	0.000	0.000	0.000
289	A	297	LEU	0	-0.060	-0.020	28.740	-0.597	-0.597	0.000	0.000	0.000	0.000
290	A	298	ALA	0	0.026	0.001	28.025	-0.813	-0.813	0.000	0.000	0.000	0.000
291	A	299	GLY	0	-0.009	-0.005	26.606	-0.808	-0.808	0.000	0.000	0.000	0.000
292	A	300	ARG	1	0.885	0.951	24.972	19.242	19.242	0.000	0.000	0.000	0.000
293	A	301	GLN	0	-0.030	-0.002	23.662	-0.757	-0.757	0.000	0.000	0.000	0.000
294	A	302	MET	0	-0.053	-0.028	23.095	-0.498	-0.498	0.000	0.000	0.000	0.000
295	A	303	ALA	0	-0.028	-0.006	19.807	0.302	0.302	0.000	0.000	0.000	0.000
296	A	304	GLY	0	-0.003	-0.016	21.884	0.002	0.002	0.000	0.000	0.000	0.000
297	A	305	TYR	0	0.010	0.011	25.225	-0.096	-0.096	0.000	0.000	0.000	0.000
298	A	306	GLY	0	0.069	0.031	27.594	0.508	0.508	0.000	0.000	0.000	0.000
299	A	307	GLY	0	0.031	0.013	28.635	0.343	0.343	0.000	0.000	0.000	0.000
300	A	308	ILE	0	-0.093	-0.027	30.718	0.529	0.529	0.000	0.000	0.000	0.000
301	A	309	VAL	0	0.039	0.019	33.789	-0.135	-0.135	0.000	0.000	0.000	0.000
302	A	310	SER	0	-0.035	-0.022	36.949	0.238	0.238	0.000	0.000	0.000	0.000
303	A	311	ILE	0	0.015	0.009	40.098	-0.005	-0.005	0.000	0.000	0.000	0.000
304	A	312	VAL	0	0.002	0.002	43.487	0.105	0.105	0.000	0.000	0.000	0.000
305	A	313	LEU	0	0.019	0.015	47.201	0.021	0.021	0.000	0.000	0.000	0.000
306	A	314	LYS	1	0.922	0.943	50.014	12.252	12.252	0.000	0.000	0.000	0.000
307	A	315	GLY	0	-0.028	-0.007	53.417	0.218	0.218	0.000	0.000	0.000	0.000
308	A	316	GLY	0	0.016	0.005	54.089	0.142	0.142	0.000	0.000	0.000	0.000
309	A	317	PHE	0	-0.031	-0.021	52.158	-0.222	-0.222	0.000	0.000	0.000	0.000
310	A	318	GLU	-1	-0.814	-0.914	53.218	-11.144	-11.144	0.000	0.000	0.000	0.000
311	A	319	ALA	0	-0.003	0.015	53.261	-0.047	-0.047	0.000	0.000	0.000	0.000
312	A	320	ALA	0	0.016	0.007	49.059	-0.195	-0.195	0.000	0.000	0.000	0.000
313	A	321	LYS	1	0.807	0.912	49.366	10.973	10.973	0.000	0.000	0.000	0.000
314	A	322	ARG	1	0.940	0.962	51.134	11.182	11.182	0.000	0.000	0.000	0.000
315	A	323	PHE	0	0.001	-0.003	43.825	-0.093	-0.093	0.000	0.000	0.000	0.000
316	A	324	CYS	0	-0.050	-0.030	46.690	-0.284	-0.284	0.000	0.000	0.000	0.000
317	A	325	GLU	-1	-0.923	-0.967	47.694	-11.770	-11.770	0.000	0.000	0.000	0.000
318	A	326	LYS	1	0.785	0.884	49.423	12.123	12.123	0.000	0.000	0.000	0.000
319	A	327	THR	0	-0.057	-0.014	43.929	0.047	0.047	0.000	0.000	0.000	0.000
320	A	328	GLU	-1	-0.988	-0.988	45.050	-12.847	-12.847	0.000	0.000	0.000	0.000
321	A	329	LEU	0	-0.063	-0.031	39.773	-0.264	-0.264	0.000	0.000	0.000	0.000
322	A	330	PHE	0	-0.047	-0.040	37.401	-0.509	-0.509	0.000	0.000	0.000	0.000
323	A	331	THR	0	0.027	0.022	39.863	0.467	0.467	0.000	0.000	0.000	0.000
324	A	332	LEU	0	-0.006	-0.006	40.993	-0.289	-0.289	0.000	0.000	0.000	0.000
325	A	333	ALA	0	0.001	0.001	39.816	0.141	0.141	0.000	0.000	0.000	0.000
326	A	334	GLU	-1	-0.909	-0.976	40.127	-14.738	-14.738	0.000	0.000	0.000	0.000
327	A	335	SER	0	-0.033	-0.028	34.130	-0.385	-0.385	0.000	0.000	0.000	0.000
328	A	336	LEU	0	-0.017	-0.022	31.547	0.368	0.368	0.000	0.000	0.000	0.000
329	A	337	GLY	0	-0.001	-0.015	29.995	-0.301	-0.301	0.000	0.000	0.000	0.000
330	A	338	GLY	0	0.029	0.031	29.006	-0.791	-0.791	0.000	0.000	0.000	0.000
331	A	339	VAL	0	-0.025	-0.026	28.015	-0.216	-0.216	0.000	0.000	0.000	0.000
332	A	340	GLU	-1	-0.784	-0.860	30.400	-18.207	-18.207	0.000	0.000	0.000	0.000
333	A	341	SER	0	-0.001	-0.026	34.215	-0.232	-0.232	0.000	0.000	0.000	0.000
334	A	342	LEU	0	-0.052	0.002	35.337	0.436	0.436	0.000	0.000	0.000	0.000
335	A	343	VAL	0	0.001	-0.002	37.926	-0.152	-0.152	0.000	0.000	0.000	0.000
336	A	344	ASN	0	0.057	0.034	40.267	0.242	0.242	0.000	0.000	0.000	0.000
337	A	345	HIS	1	0.977	0.977	42.158	12.867	12.867	0.000	0.000	0.000	0.000
338	A	346	PRO	0	-0.033	-0.027	42.097	0.167	0.167	0.000	0.000	0.000	0.000
339	A	347	ALA	0	-0.071	-0.037	44.492	0.056	0.056	0.000	0.000	0.000	0.000
340	A	348	VAL	0	0.029	0.020	47.415	0.187	0.187	0.000	0.000	0.000	0.000
341	A	349	MET	0	0.041	0.072	43.267	0.110	0.110	0.000	0.000	0.000	0.000
342	A	350	THR	0	-0.006	-0.010	39.388	-0.070	-0.070	0.000	0.000	0.000	0.000
343	A	351	HIS	1	0.799	0.898	39.067	15.053	15.053	0.000	0.000	0.000	0.000
344	A	352	ALA	0	0.067	0.062	44.149	0.234	0.234	0.000	0.000	0.000	0.000
345	A	353	SER	0	-0.081	-0.047	45.589	0.151	0.151	0.000	0.000	0.000	0.000
346	A	354	ILE	0	0.021	0.003	47.705	0.228	0.228	0.000	0.000	0.000	0.000
347	A	355	PRO	0	0.039	0.013	49.928	-0.160	-0.160	0.000	0.000	0.000	0.000
348	A	356	VAL	0	0.059	0.021	51.793	-0.072	-0.072	0.000	0.000	0.000	0.000
349	A	357	ALA	0	0.030	0.011	47.594	-0.064	-0.064	0.000	0.000	0.000	0.000
350	A	358	ARG	1	0.788	0.882	46.677	13.020	13.020	0.000	0.000	0.000	0.000
351	A	359	ARG	1	0.813	0.887	47.913	11.282	11.282	0.000	0.000	0.000	0.000
352	A	360	GLU	-1	-0.797	-0.876	50.688	-11.583	-11.583	0.000	0.000	0.000	0.000
353	A	361	GLN	0	-0.072	-0.026	44.485	0.100	0.100	0.000	0.000	0.000	0.000
354	A	362	LEU	0	-0.033	-0.002	42.739	-0.276	-0.276	0.000	0.000	0.000	0.000
355	A	363	GLY	0	0.051	0.025	44.944	0.251	0.251	0.000	0.000	0.000	0.000
356	A	364	ILE	0	-0.036	-0.024	43.328	-0.048	-0.048	0.000	0.000	0.000	0.000
357	A	365	SER	0	0.025	0.012	46.352	0.168	0.168	0.000	0.000	0.000	0.000
358	A	366	ASP	-1	-0.885	-0.958	48.633	-12.220	-12.220	0.000	0.000	0.000	0.000
359	A	367	ALA	0	-0.015	-0.011	50.460	0.024	0.024	0.000	0.000	0.000	0.000
360	A	368	LEU	0	-0.028	0.004	43.004	-0.151	-0.151	0.000	0.000	0.000	0.000
361	A	369	VAL	0	-0.036	-0.031	43.301	0.084	0.084	0.000	0.000	0.000	0.000
362	A	370	ARG	1	0.852	0.931	36.803	16.069	16.069	0.000	0.000	0.000	0.000
363	A	371	LEU	0	0.041	0.024	38.263	0.090	0.090	0.000	0.000	0.000	0.000
364	A	372	SER	0	-0.015	-0.022	33.936	-0.607	-0.607	0.000	0.000	0.000	0.000
365	A	373	VAL	0	-0.005	0.006	33.302	0.183	0.183	0.000	0.000	0.000	0.000
366	A	374	GLY	0	0.061	0.049	31.845	-0.730	-0.730	0.000	0.000	0.000	0.000
367	A	375	VAL	0	-0.100	-0.066	27.455	-0.341	-0.341	0.000	0.000	0.000	0.000
368	A	376	GLU	-1	-0.734	-0.848	30.753	-17.720	-17.720	0.000	0.000	0.000	0.000
369	A	377	ASP	-1	-0.838	-0.919	33.553	-17.096	-17.096	0.000	0.000	0.000	0.000
370	A	378	LEU	0	-0.010	-0.005	34.329	0.331	0.331	0.000	0.000	0.000	0.000
371	A	379	GLY	0	-0.016	-0.012	36.323	0.349	0.349	0.000	0.000	0.000	0.000
372	A	380	ASP	-1	-0.874	-0.939	38.912	-14.957	-14.957	0.000	0.000	0.000	0.000
373	A	381	LEU	0	-0.028	-0.016	35.232	0.384	0.384	0.000	0.000	0.000	0.000
374	A	382	GLN	0	-0.039	-0.023	39.646	0.526	0.526	0.000	0.000	0.000	0.000
375	A	383	VAL	0	-0.005	0.003	41.699	0.399	0.399	0.000	0.000	0.000	0.000
376	A	384	ASP	-1	-0.744	-0.861	42.352	-13.969	-13.969	0.000	0.000	0.000	0.000
377	A	385	LEU	0	0.014	-0.002	40.374	0.308	0.308	0.000	0.000	0.000	0.000
378	A	386	GLY	0	-0.029	-0.014	44.617	0.299	0.299	0.000	0.000	0.000	0.000
379	A	387	GLU	-1	-0.844	-0.909	47.276	-11.949	-11.949	0.000	0.000	0.000	0.000
380	A	388	ALA	0	0.030	0.019	46.793	0.318	0.318	0.000	0.000	0.000	0.000
381	A	389	LEU	0	-0.082	-0.051	45.858	0.183	0.183	0.000	0.000	0.000	0.000
382	A	390	LYS	0	-0.100	-0.037	49.845	0.851	0.851	0.000	0.000	0.000	0.000

Top

Graph

Overview

Highlights

Data Search

Manual

Support

Interactive mode: IFIE and PIEDA for fragment #1(A:9:ARG)