FMO DATABASE

FMODB ID: 2N78R

Calculation Name: 2JJF-A-Xray372

Preferred Name: Probable L-lysine-epsilon aminotransferase

Target Type: SINGLE PROTEIN

Ligand Name:

ligand 3-letter code:

PDB ID: 2JJF

Chain ID: A

ChEMBL ID: CHEMBL2259247

UniProt ID: P9WQ77

Base Structure: X-ray

Registration Date: 2023-09-20

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

DOI:

IFIE MAP

IFIE Diagram

Modeling method

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

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	435
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-7656398.285415
FMO2-HF: Nuclear repulsion	7488969.179675
FMO2-HF: Total energy	-167429.10574
FMO2-MP2: Total energy	-167916.535074

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:15:THR)

Summations of interaction energy for fragment #1(A:15:THR)

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.
-9.13	-2.973	0.49	-2.562	-4.086	0.009

Interaction energy analysis for fragmet #1(A:15:THR)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : -0.020 / q_NPA : -0.011

Distance from base fragment(s) [Å]

Dist

Interaction energy by IFIE and PIEDA
[kcal/mol]

| Total | > | ES | > | EX | >
| CT+mix | > | DI(MP2) | >

Fragment charge [e]

FCHARGE q_Mulliken
q_NPA q(I=>J)

Residue

Res # RES

Sort

Graph Options

X Axis Label
Y Axis Max Y Axis Min
Display ES EX CT+mix DI(MP2)

frag_NumFragment number.	ChainChain species.	Res #Residue number.	RES3-letter code of amino acid residue, ligand and solvent molecule.	FCHARGEFormal charge [e].	q_MullikenFragment charge evaluated by Mulliken charge [e].	q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e].	DISTDistance from Ligand [Å].	TotalIFIE at MP2 level [kcal/mol].	ESElectro static interaction energy by PIEDA [kcal/mol].	EXExchange-repulsion energy by PIEDA [kcal/mol].	CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol].	DI(MP2)Dispersion energy by PIEDA [kcal/mol].	q(I=>J)Charge transfer value from I to J fragmens [e].
3	A	17	PRO	0	0.079	0.015	3.696	0.032	2.823	-0.014	-1.355	-1.423	0.007
4	A	18	ASP	-1	-0.847	-0.905	5.692	0.947	0.947	0.000	0.000	0.000	0.000
5	A	19	ARG	1	0.918	0.963	2.691	-7.765	-6.122	0.322	-0.691	-1.274	0.000
6	A	20	VAL	0	-0.015	0.001	3.357	0.941	1.536	0.014	-0.132	-0.476	0.000
7	A	21	HIS	0	0.041	0.011	4.652	0.081	0.167	-0.001	-0.006	-0.079	0.000
8	A	22	GLU	-1	-0.878	-0.932	6.855	2.630	2.630	0.000	0.000	0.000	0.000
9	A	23	VAL	0	-0.074	-0.046	2.875	-1.650	-0.608	0.169	-0.378	-0.834	0.002
10	A	24	LEU	0	0.009	-0.004	6.224	-0.636	-0.636	0.000	0.000	0.000	0.000
11	A	25	GLY	0	0.065	0.035	8.519	-0.239	-0.239	0.000	0.000	0.000	0.000
12	A	26	ARG	1	0.841	0.929	6.150	-2.671	-2.671	0.000	0.000	0.000	0.000
13	A	27	SER	0	-0.062	-0.024	10.530	-0.133	-0.133	0.000	0.000	0.000	0.000
14	A	28	MET	0	-0.037	-0.023	11.523	-0.167	-0.167	0.000	0.000	0.000	0.000
15	A	29	LEU	0	-0.029	-0.001	14.001	0.077	0.077	0.000	0.000	0.000	0.000
16	A	30	VAL	0	-0.024	-0.011	11.265	-0.050	-0.050	0.000	0.000	0.000	0.000
17	A	31	ASP	-1	-0.925	-0.964	14.182	0.085	0.085	0.000	0.000	0.000	0.000
18	A	32	GLY	0	-0.030	-0.002	15.158	-0.043	-0.043	0.000	0.000	0.000	0.000
19	A	33	LEU	0	-0.036	-0.030	15.415	0.023	0.023	0.000	0.000	0.000	0.000
20	A	34	ASP	-1	-0.849	-0.934	13.752	0.048	0.048	0.000	0.000	0.000	0.000
21	A	35	ILE	0	-0.104	-0.025	12.901	0.011	0.011	0.000	0.000	0.000	0.000
22	A	36	VAL	0	0.000	-0.001	6.722	-0.023	-0.023	0.000	0.000	0.000	0.000
23	A	37	LEU	0	-0.018	-0.004	9.930	-0.033	-0.033	0.000	0.000	0.000	0.000
24	A	38	ASP	-1	-0.788	-0.877	10.262	-1.607	-1.607	0.000	0.000	0.000	0.000
25	A	39	LEU	0	0.009	-0.009	10.746	0.203	0.203	0.000	0.000	0.000	0.000
26	A	40	THR	0	-0.006	0.017	13.425	0.134	0.134	0.000	0.000	0.000	0.000
27	A	41	ARG	1	0.868	0.908	12.988	1.255	1.255	0.000	0.000	0.000	0.000
28	A	42	SER	0	-0.035	-0.014	15.465	0.122	0.122	0.000	0.000	0.000	0.000
29	A	43	GLY	0	0.030	0.018	18.084	-0.023	-0.023	0.000	0.000	0.000	0.000
30	A	44	GLY	0	0.012	0.019	21.662	0.031	0.031	0.000	0.000	0.000	0.000
31	A	45	SER	0	-0.019	-0.039	23.669	-0.015	-0.015	0.000	0.000	0.000	0.000
32	A	46	TYR	0	-0.005	0.002	21.792	0.023	0.023	0.000	0.000	0.000	0.000
33	A	47	LEU	0	0.005	0.006	16.959	-0.055	-0.055	0.000	0.000	0.000	0.000
34	A	48	VAL	0	-0.033	-0.024	15.078	0.063	0.063	0.000	0.000	0.000	0.000
35	A	49	ASP	-1	-0.736	-0.870	12.477	-0.640	-0.640	0.000	0.000	0.000	0.000
36	A	50	ALA	0	-0.036	-0.040	9.291	0.018	0.018	0.000	0.000	0.000	0.000
37	A	51	ILE	0	-0.043	-0.003	9.352	-0.081	-0.081	0.000	0.000	0.000	0.000
38	A	52	THR	0	-0.024	-0.028	11.556	0.047	0.047	0.000	0.000	0.000	0.000
39	A	53	GLY	0	-0.005	0.013	14.847	0.023	0.023	0.000	0.000	0.000	0.000
40	A	54	ARG	1	0.934	0.979	16.549	0.243	0.243	0.000	0.000	0.000	0.000
41	A	55	ARG	1	0.884	0.931	17.901	0.469	0.469	0.000	0.000	0.000	0.000
42	A	56	TYR	0	0.006	0.004	17.613	0.039	0.039	0.000	0.000	0.000	0.000
43	A	57	LEU	0	-0.012	0.001	21.258	-0.027	-0.027	0.000	0.000	0.000	0.000
44	A	58	ASP	-1	-0.802	-0.898	21.912	-0.299	-0.299	0.000	0.000	0.000	0.000
45	A	59	MET	0	-0.049	-0.014	23.716	0.010	0.010	0.000	0.000	0.000	0.000
46	A	60	PHE	0	0.039	-0.002	18.789	0.024	0.024	0.000	0.000	0.000	0.000
47	A	61	THR	0	-0.006	-0.025	22.620	0.013	0.013	0.000	0.000	0.000	0.000
48	A	62	PHE	0	-0.013	-0.013	16.559	0.004	0.004	0.000	0.000	0.000	0.000
49	A	63	VAL	0	0.008	0.011	20.941	0.016	0.016	0.000	0.000	0.000	0.000
50	A	64	ALA	0	0.017	0.008	23.919	0.015	0.015	0.000	0.000	0.000	0.000
51	A	65	SER	0	-0.064	-0.034	22.375	0.001	0.001	0.000	0.000	0.000	0.000
52	A	66	SER	0	0.020	0.014	22.407	-0.007	-0.007	0.000	0.000	0.000	0.000
53	A	67	ALA	0	0.038	0.007	24.484	0.015	0.015	0.000	0.000	0.000	0.000
54	A	68	LEU	0	0.013	0.003	26.359	0.013	0.013	0.000	0.000	0.000	0.000
55	A	69	GLY	0	0.036	0.034	23.575	-0.001	-0.001	0.000	0.000	0.000	0.000
56	A	70	MET	0	-0.049	-0.019	16.017	-0.005	-0.005	0.000	0.000	0.000	0.000
57	A	71	ASN	0	-0.068	-0.049	17.376	0.028	0.028	0.000	0.000	0.000	0.000
58	A	72	PRO	0	0.040	0.028	21.508	0.016	0.016	0.000	0.000	0.000	0.000
59	A	73	PRO	0	0.109	0.034	25.315	-0.011	-0.011	0.000	0.000	0.000	0.000
60	A	74	ALA	0	0.015	0.019	27.083	-0.003	-0.003	0.000	0.000	0.000	0.000
61	A	75	LEU	0	-0.030	-0.007	24.104	0.006	0.006	0.000	0.000	0.000	0.000
62	A	76	VAL	0	-0.011	-0.011	21.652	-0.015	-0.015	0.000	0.000	0.000	0.000
63	A	77	ASP	-1	-0.908	-0.978	24.109	-0.381	-0.381	0.000	0.000	0.000	0.000
64	A	78	ASP	-1	-0.829	-0.896	27.059	-0.254	-0.254	0.000	0.000	0.000	0.000
65	A	79	ARG	1	0.876	0.920	25.010	0.363	0.363	0.000	0.000	0.000	0.000
66	A	80	GLU	-1	-0.905	-0.939	27.731	-0.225	-0.225	0.000	0.000	0.000	0.000
67	A	81	PHE	0	-0.002	-0.007	24.175	-0.007	-0.007	0.000	0.000	0.000	0.000
68	A	82	HIS	0	-0.074	-0.034	22.564	-0.028	-0.028	0.000	0.000	0.000	0.000
69	A	83	ALA	0	-0.001	0.011	23.897	-0.021	-0.021	0.000	0.000	0.000	0.000
70	A	84	GLU	-1	-0.787	-0.883	25.978	-0.248	-0.248	0.000	0.000	0.000	0.000
71	A	85	LEU	0	-0.036	-0.023	20.866	0.003	0.003	0.000	0.000	0.000	0.000
72	A	86	MET	0	-0.002	0.000	18.053	-0.015	-0.015	0.000	0.000	0.000	0.000
73	A	87	GLN	0	-0.053	-0.034	22.171	0.004	0.004	0.000	0.000	0.000	0.000
74	A	88	ALA	0	-0.055	-0.025	24.262	0.017	0.017	0.000	0.000	0.000	0.000
75	A	89	ALA	0	-0.006	-0.006	18.715	0.008	0.008	0.000	0.000	0.000	0.000
76	A	90	LEU	0	-0.049	-0.013	18.806	-0.021	-0.021	0.000	0.000	0.000	0.000
77	A	91	ASN	0	-0.056	-0.019	20.467	0.025	0.025	0.000	0.000	0.000	0.000
78	A	92	LYS	1	0.842	0.915	20.362	0.224	0.224	0.000	0.000	0.000	0.000
79	A	93	PRO	0	0.001	-0.001	23.461	0.020	0.020	0.000	0.000	0.000	0.000
80	A	94	SER	0	-0.002	0.004	27.130	-0.011	-0.011	0.000	0.000	0.000	0.000
81	A	95	ASN	0	-0.002	-0.011	27.793	0.006	0.006	0.000	0.000	0.000	0.000
82	A	96	SER	0	-0.047	-0.023	31.213	0.002	0.002	0.000	0.000	0.000	0.000
83	A	97	ASP	-1	-0.897	-0.931	32.975	-0.084	-0.084	0.000	0.000	0.000	0.000
84	A	98	VAL	0	-0.053	-0.029	32.022	0.004	0.004	0.000	0.000	0.000	0.000
85	A	99	TYR	0	0.001	0.007	32.806	-0.009	-0.009	0.000	0.000	0.000	0.000
86	A	100	SER	0	0.028	0.001	31.555	-0.005	-0.005	0.000	0.000	0.000	0.000
87	A	101	VAL	0	0.053	0.013	33.904	0.002	0.002	0.000	0.000	0.000	0.000
88	A	102	ALA	0	-0.020	-0.004	29.542	0.000	0.000	0.000	0.000	0.000	0.000
89	A	103	MET	0	0.027	0.019	31.677	-0.005	-0.005	0.000	0.000	0.000	0.000
90	A	104	ALA	0	-0.003	0.002	32.556	0.003	0.003	0.000	0.000	0.000	0.000
91	A	105	ARG	1	0.934	0.952	32.973	0.202	0.202	0.000	0.000	0.000	0.000
92	A	106	PHE	0	0.009	-0.004	31.212	-0.001	-0.001	0.000	0.000	0.000	0.000
93	A	107	VAL	0	-0.004	0.003	33.347	0.004	0.004	0.000	0.000	0.000	0.000
94	A	108	GLU	-1	-0.935	-0.963	36.154	-0.135	-0.135	0.000	0.000	0.000	0.000
95	A	109	THR	0	-0.061	-0.028	34.893	0.003	0.003	0.000	0.000	0.000	0.000
96	A	110	PHE	0	0.038	0.013	33.422	0.001	0.001	0.000	0.000	0.000	0.000
97	A	111	ALA	0	-0.006	-0.011	36.369	0.005	0.005	0.000	0.000	0.000	0.000
98	A	112	ARG	1	0.850	0.928	38.104	0.153	0.153	0.000	0.000	0.000	0.000
99	A	113	VAL	0	-0.039	-0.017	36.548	0.004	0.004	0.000	0.000	0.000	0.000
100	A	114	LEU	0	-0.045	-0.032	34.227	0.001	0.001	0.000	0.000	0.000	0.000
101	A	115	GLY	0	0.022	0.036	38.900	0.005	0.005	0.000	0.000	0.000	0.000
102	A	116	ASP	-1	-0.816	-0.883	41.559	-0.082	-0.082	0.000	0.000	0.000	0.000
103	A	117	PRO	0	-0.015	-0.012	44.611	0.001	0.001	0.000	0.000	0.000	0.000
104	A	118	ALA	0	-0.006	0.002	47.670	0.003	0.003	0.000	0.000	0.000	0.000
105	A	119	LEU	0	-0.089	-0.046	42.887	0.003	0.003	0.000	0.000	0.000	0.000
106	A	120	PRO	0	0.041	0.025	43.303	-0.006	-0.006	0.000	0.000	0.000	0.000
107	A	121	HIS	1	0.762	0.856	42.656	0.068	0.068	0.000	0.000	0.000	0.000
108	A	122	LEU	0	0.045	0.025	37.385	-0.002	-0.002	0.000	0.000	0.000	0.000
109	A	123	PHE	0	-0.015	-0.004	33.914	0.002	0.002	0.000	0.000	0.000	0.000
110	A	124	PHE	0	0.016	0.007	30.992	-0.005	-0.005	0.000	0.000	0.000	0.000
111	A	125	VAL	0	-0.030	-0.017	28.994	0.007	0.007	0.000	0.000	0.000	0.000
112	A	126	GLU	-1	-0.819	-0.902	22.646	-0.228	-0.228	0.000	0.000	0.000	0.000
113	A	127	GLY	0	0.030	0.006	25.382	0.015	0.015	0.000	0.000	0.000	0.000
114	A	128	GLY	0	0.041	-0.001	26.187	0.008	0.008	0.000	0.000	0.000	0.000
115	A	129	ALA	0	0.000	-0.003	28.145	0.007	0.007	0.000	0.000	0.000	0.000
116	A	130	LEU	0	0.056	0.023	27.826	0.008	0.008	0.000	0.000	0.000	0.000
117	A	131	ALA	0	-0.019	0.023	30.648	0.005	0.005	0.000	0.000	0.000	0.000
118	A	132	VAL	0	0.046	0.016	32.586	0.006	0.006	0.000	0.000	0.000	0.000
119	A	133	GLU	-1	-0.803	-0.888	32.925	-0.038	-0.038	0.000	0.000	0.000	0.000
120	A	134	ASN	0	-0.050	-0.047	33.294	0.009	0.009	0.000	0.000	0.000	0.000
121	A	135	ALA	0	0.039	0.035	36.557	0.002	0.002	0.000	0.000	0.000	0.000
122	A	136	LEU	0	-0.020	-0.009	37.642	0.004	0.004	0.000	0.000	0.000	0.000
123	A	137	LYS	1	0.932	0.962	36.105	0.055	0.055	0.000	0.000	0.000	0.000
124	A	138	ALA	0	0.001	0.004	40.595	0.003	0.003	0.000	0.000	0.000	0.000
125	A	139	ALA	0	0.033	0.018	42.625	0.002	0.002	0.000	0.000	0.000	0.000
126	A	140	PHE	0	-0.031	-0.016	40.480	0.002	0.002	0.000	0.000	0.000	0.000
127	A	141	ASP	-1	-0.830	-0.891	44.744	-0.037	-0.037	0.000	0.000	0.000	0.000
128	A	142	TRP	0	-0.007	0.002	46.461	0.002	0.002	0.000	0.000	0.000	0.000
129	A	143	LYS	1	0.890	0.955	48.400	0.030	0.030	0.000	0.000	0.000	0.000
130	A	144	SER	0	-0.038	-0.020	49.438	0.001	0.001	0.000	0.000	0.000	0.000
131	A	145	ARG	1	0.880	0.921	47.572	0.038	0.038	0.000	0.000	0.000	0.000
132	A	146	HIS	0	0.003	0.008	52.405	0.002	0.002	0.000	0.000	0.000	0.000
133	A	147	ASN	0	-0.002	-0.021	53.549	0.000	0.000	0.000	0.000	0.000	0.000
134	A	148	GLN	0	-0.026	-0.004	54.488	0.001	0.001	0.000	0.000	0.000	0.000
135	A	149	ALA	0	-0.067	-0.028	56.685	0.001	0.001	0.000	0.000	0.000	0.000
136	A	150	HIS	0	-0.070	-0.035	57.916	0.000	0.000	0.000	0.000	0.000	0.000
137	A	151	GLY	0	-0.047	-0.016	60.625	0.001	0.001	0.000	0.000	0.000	0.000
138	A	152	ILE	0	-0.043	-0.013	57.037	0.002	0.002	0.000	0.000	0.000	0.000
139	A	153	ASP	-1	-0.858	-0.948	56.219	-0.012	-0.012	0.000	0.000	0.000	0.000
140	A	154	PRO	0	0.021	0.016	53.200	-0.001	-0.001	0.000	0.000	0.000	0.000
141	A	155	ALA	0	-0.052	0.002	51.538	-0.001	-0.001	0.000	0.000	0.000	0.000
142	A	156	LEU	0	-0.058	-0.014	51.141	0.001	0.001	0.000	0.000	0.000	0.000
143	A	157	GLY	0	0.006	-0.009	50.026	-0.002	-0.002	0.000	0.000	0.000	0.000
144	A	158	THR	0	-0.057	-0.026	46.161	-0.002	-0.002	0.000	0.000	0.000	0.000
145	A	159	GLN	0	-0.004	-0.016	45.204	0.000	0.000	0.000	0.000	0.000	0.000
146	A	160	VAL	0	0.015	0.003	41.494	-0.003	-0.003	0.000	0.000	0.000	0.000
147	A	161	LEU	0	0.031	0.030	44.621	0.003	0.003	0.000	0.000	0.000	0.000
148	A	162	HIS	0	0.006	0.021	40.906	-0.002	-0.002	0.000	0.000	0.000	0.000
149	A	163	LEU	0	0.040	0.022	41.823	0.003	0.003	0.000	0.000	0.000	0.000
150	A	164	ARG	1	0.872	0.923	41.283	0.015	0.015	0.000	0.000	0.000	0.000
151	A	165	GLY	0	-0.016	-0.005	38.385	-0.003	-0.003	0.000	0.000	0.000	0.000
152	A	166	ALA	0	-0.003	0.020	37.291	-0.005	-0.005	0.000	0.000	0.000	0.000
153	A	167	PHE	0	-0.078	-0.062	28.115	0.007	0.007	0.000	0.000	0.000	0.000
154	A	168	HIS	0	0.045	0.000	33.680	-0.001	-0.001	0.000	0.000	0.000	0.000
155	A	169	GLY	0	-0.025	-0.010	29.619	-0.007	-0.007	0.000	0.000	0.000	0.000
156	A	170	ARG	1	0.933	0.949	25.824	0.034	0.034	0.000	0.000	0.000	0.000
157	A	171	SER	0	-0.013	-0.017	28.916	0.005	0.005	0.000	0.000	0.000	0.000
158	A	172	GLY	0	0.028	0.007	30.338	0.004	0.004	0.000	0.000	0.000	0.000
159	A	173	TYR	0	0.051	0.017	33.348	0.004	0.004	0.000	0.000	0.000	0.000
160	A	174	THR	0	0.028	0.005	32.126	0.003	0.003	0.000	0.000	0.000	0.000
161	A	175	LEU	0	-0.027	-0.003	30.472	0.001	0.001	0.000	0.000	0.000	0.000
162	A	176	SER	0	-0.012	0.004	34.261	0.007	0.007	0.000	0.000	0.000	0.000
163	A	177	LEU	0	-0.031	0.009	36.821	0.000	0.000	0.000	0.000	0.000	0.000
164	A	178	THR	0	-0.015	-0.029	32.223	-0.002	-0.002	0.000	0.000	0.000	0.000
165	A	179	ASN	0	-0.092	-0.053	35.602	0.010	0.010	0.000	0.000	0.000	0.000
166	A	180	THR	0	0.081	0.053	32.420	0.001	0.001	0.000	0.000	0.000	0.000
167	A	181	LYS	1	0.954	0.973	28.901	0.022	0.022	0.000	0.000	0.000	0.000
168	A	182	PRO	0	0.068	0.021	32.974	0.000	0.000	0.000	0.000	0.000	0.000
169	A	183	THR	0	-0.005	-0.011	27.805	0.000	0.000	0.000	0.000	0.000	0.000
170	A	184	ILE	0	-0.073	-0.027	28.666	0.005	0.005	0.000	0.000	0.000	0.000
171	A	185	THR	0	0.062	0.032	30.340	0.002	0.002	0.000	0.000	0.000	0.000
172	A	186	ALA	0	-0.015	-0.006	33.263	0.002	0.002	0.000	0.000	0.000	0.000
173	A	187	ARG	1	0.922	0.949	32.932	-0.066	-0.066	0.000	0.000	0.000	0.000
174	A	188	PHE	0	0.024	0.039	28.659	0.004	0.004	0.000	0.000	0.000	0.000
175	A	189	PRO	0	0.002	0.003	34.423	-0.003	-0.003	0.000	0.000	0.000	0.000
176	A	190	LYS	1	0.839	0.915	36.319	-0.016	-0.016	0.000	0.000	0.000	0.000
177	A	191	PHE	0	0.027	0.015	38.905	0.003	0.003	0.000	0.000	0.000	0.000
178	A	192	ASP	-1	-0.945	-0.972	42.181	-0.003	-0.003	0.000	0.000	0.000	0.000
179	A	193	TRP	0	0.003	0.003	39.445	-0.003	-0.003	0.000	0.000	0.000	0.000
180	A	194	PRO	0	-0.010	0.007	45.119	0.001	0.001	0.000	0.000	0.000	0.000
181	A	195	ARG	1	0.859	0.915	39.900	0.012	0.012	0.000	0.000	0.000	0.000
182	A	196	ILE	0	0.014	0.007	45.834	0.003	0.003	0.000	0.000	0.000	0.000
183	A	197	ASP	-1	-0.833	-0.922	45.821	-0.019	-0.019	0.000	0.000	0.000	0.000
184	A	198	ALA	0	0.010	0.005	43.543	-0.002	-0.002	0.000	0.000	0.000	0.000
185	A	199	PRO	0	-0.026	0.008	45.545	0.001	0.001	0.000	0.000	0.000	0.000
186	A	200	TYR	0	-0.046	-0.023	43.497	-0.002	-0.002	0.000	0.000	0.000	0.000
187	A	201	MET	0	0.010	-0.015	45.412	0.003	0.003	0.000	0.000	0.000	0.000
188	A	202	ARG	1	0.882	0.945	45.159	0.031	0.031	0.000	0.000	0.000	0.000
189	A	203	PRO	0	0.019	0.014	45.593	0.000	0.000	0.000	0.000	0.000	0.000
190	A	204	GLY	0	-0.017	-0.012	48.542	0.002	0.002	0.000	0.000	0.000	0.000
191	A	205	LEU	0	-0.024	-0.014	50.755	0.003	0.003	0.000	0.000	0.000	0.000
192	A	206	ASP	-1	-0.863	-0.920	53.039	-0.032	-0.032	0.000	0.000	0.000	0.000
193	A	207	GLU	-1	-0.896	-0.967	55.509	-0.041	-0.041	0.000	0.000	0.000	0.000
194	A	208	PRO	0	-0.032	-0.021	56.646	0.000	0.000	0.000	0.000	0.000	0.000
195	A	209	ALA	0	0.017	0.021	55.310	0.001	0.001	0.000	0.000	0.000	0.000
196	A	210	MET	0	-0.012	-0.007	49.270	0.001	0.001	0.000	0.000	0.000	0.000
197	A	211	ALA	0	0.004	0.008	53.687	0.000	0.000	0.000	0.000	0.000	0.000
198	A	212	ALA	0	-0.018	-0.005	56.245	0.001	0.001	0.000	0.000	0.000	0.000
199	A	213	LEU	0	-0.012	-0.008	49.795	0.001	0.001	0.000	0.000	0.000	0.000
200	A	214	GLU	-1	-0.793	-0.879	50.998	-0.040	-0.040	0.000	0.000	0.000	0.000
201	A	215	ALA	0	0.004	0.008	52.940	0.000	0.000	0.000	0.000	0.000	0.000
202	A	216	GLU	-1	-0.811	-0.903	53.353	-0.015	-0.015	0.000	0.000	0.000	0.000
203	A	217	ALA	0	-0.016	-0.002	49.904	0.001	0.001	0.000	0.000	0.000	0.000
204	A	218	LEU	0	0.038	0.001	51.833	0.001	0.001	0.000	0.000	0.000	0.000
205	A	219	ARG	1	0.866	0.950	54.041	0.016	0.016	0.000	0.000	0.000	0.000
206	A	220	GLN	0	-0.081	-0.056	50.540	0.000	0.000	0.000	0.000	0.000	0.000
207	A	221	ALA	0	-0.005	0.000	51.305	0.001	0.001	0.000	0.000	0.000	0.000
208	A	222	ARG	1	0.832	0.904	52.557	0.024	0.024	0.000	0.000	0.000	0.000
209	A	223	ALA	0	0.021	0.010	55.552	0.001	0.001	0.000	0.000	0.000	0.000
210	A	224	ALA	0	-0.041	-0.007	51.341	0.002	0.002	0.000	0.000	0.000	0.000
211	A	225	PHE	0	0.025	-0.007	50.803	0.001	0.001	0.000	0.000	0.000	0.000
212	A	226	GLU	-1	-0.910	-0.956	54.719	-0.017	-0.017	0.000	0.000	0.000	0.000
213	A	227	THR	0	-0.116	-0.068	55.673	0.002	0.002	0.000	0.000	0.000	0.000
214	A	228	ARG	1	0.827	0.918	49.131	0.013	0.013	0.000	0.000	0.000	0.000
215	A	229	PRO	0	0.049	0.036	54.312	-0.002	-0.002	0.000	0.000	0.000	0.000
216	A	230	HIS	0	0.016	-0.008	55.183	0.000	0.000	0.000	0.000	0.000	0.000
217	A	231	ASP	-1	-0.713	-0.859	50.981	-0.016	-0.016	0.000	0.000	0.000	0.000
218	A	232	ILE	0	-0.074	-0.027	48.228	0.000	0.000	0.000	0.000	0.000	0.000
219	A	233	ALA	0	0.017	0.010	46.226	-0.001	-0.001	0.000	0.000	0.000	0.000
220	A	234	CYS	0	-0.057	-0.026	44.037	-0.003	-0.003	0.000	0.000	0.000	0.000
221	A	235	PHE	0	0.047	0.024	45.683	0.003	0.003	0.000	0.000	0.000	0.000
222	A	236	VAL	0	-0.038	-0.006	39.061	-0.004	-0.004	0.000	0.000	0.000	0.000
223	A	237	ALA	0	0.014	-0.003	40.929	0.004	0.004	0.000	0.000	0.000	0.000
224	A	238	GLU	-1	-0.832	-0.920	35.140	-0.074	-0.074	0.000	0.000	0.000	0.000
225	A	239	PRO	0	-0.002	0.009	38.160	0.005	0.005	0.000	0.000	0.000	0.000
226	A	240	ILE	0	-0.002	-0.011	37.530	0.002	0.002	0.000	0.000	0.000	0.000
227	A	241	GLN	0	-0.051	-0.015	36.961	-0.004	-0.004	0.000	0.000	0.000	0.000
228	A	242	GLY	0	0.040	0.034	33.010	-0.001	-0.001	0.000	0.000	0.000	0.000
229	A	243	GLU	-1	-0.811	-0.897	28.531	-0.097	-0.097	0.000	0.000	0.000	0.000
230	A	244	GLY	0	0.007	-0.001	31.956	0.007	0.007	0.000	0.000	0.000	0.000
231	A	245	GLY	0	-0.078	-0.044	34.741	0.007	0.007	0.000	0.000	0.000	0.000
232	A	246	ASP	-1	-0.740	-0.837	34.102	-0.095	-0.095	0.000	0.000	0.000	0.000
233	A	247	ARG	1	0.913	0.980	36.677	0.047	0.047	0.000	0.000	0.000	0.000
234	A	248	HIS	0	0.069	0.030	38.805	-0.002	-0.002	0.000	0.000	0.000	0.000
235	A	249	PHE	0	0.031	0.013	41.431	0.005	0.005	0.000	0.000	0.000	0.000
236	A	250	ARG	1	0.850	0.887	45.495	0.039	0.039	0.000	0.000	0.000	0.000
237	A	251	PRO	0	0.018	0.002	48.344	0.001	0.001	0.000	0.000	0.000	0.000
238	A	252	GLU	-1	-0.853	-0.930	49.525	-0.048	-0.048	0.000	0.000	0.000	0.000
239	A	253	PHE	0	0.000	0.007	46.329	0.002	0.002	0.000	0.000	0.000	0.000
240	A	254	PHE	0	-0.002	-0.021	43.355	0.001	0.001	0.000	0.000	0.000	0.000
241	A	255	ALA	0	0.036	0.024	49.090	0.000	0.000	0.000	0.000	0.000	0.000
242	A	256	ALA	0	0.051	0.034	52.347	0.001	0.001	0.000	0.000	0.000	0.000
243	A	257	MET	0	-0.043	-0.024	48.755	0.003	0.003	0.000	0.000	0.000	0.000
244	A	258	ARG	1	0.758	0.858	48.737	0.052	0.052	0.000	0.000	0.000	0.000
245	A	259	GLU	-1	-0.915	-0.956	51.838	-0.038	-0.038	0.000	0.000	0.000	0.000
246	A	260	LEU	0	-0.013	-0.007	53.142	0.002	0.002	0.000	0.000	0.000	0.000
247	A	261	CYS	0	-0.077	-0.046	49.984	0.001	0.001	0.000	0.000	0.000	0.000
248	A	262	ASP	-1	-0.768	-0.880	52.600	-0.044	-0.044	0.000	0.000	0.000	0.000
249	A	263	GLU	-1	-0.868	-0.899	55.077	-0.025	-0.025	0.000	0.000	0.000	0.000
250	A	264	PHE	0	-0.044	-0.021	54.699	0.002	0.002	0.000	0.000	0.000	0.000
251	A	265	ASP	-1	-0.856	-0.917	54.473	-0.031	-0.031	0.000	0.000	0.000	0.000
252	A	266	ALA	0	-0.011	0.004	49.660	0.001	0.001	0.000	0.000	0.000	0.000
253	A	267	LEU	0	-0.013	-0.006	45.963	-0.002	-0.002	0.000	0.000	0.000	0.000
254	A	268	LEU	0	-0.005	0.000	45.038	0.002	0.002	0.000	0.000	0.000	0.000
255	A	269	ILE	0	-0.022	-0.022	39.901	-0.004	-0.004	0.000	0.000	0.000	0.000
256	A	270	PHE	0	0.032	0.007	40.329	0.002	0.002	0.000	0.000	0.000	0.000
257	A	271	ASP	-1	-0.848	-0.925	34.386	-0.096	-0.096	0.000	0.000	0.000	0.000
258	A	272	GLU	-1	-0.700	-0.853	35.845	-0.103	-0.103	0.000	0.000	0.000	0.000
259	A	273	VAL	0	-0.056	-0.018	29.574	-0.013	-0.013	0.000	0.000	0.000	0.000
260	A	274	GLN	0	-0.078	-0.057	29.912	-0.014	-0.014	0.000	0.000	0.000	0.000
261	A	275	THR	0	-0.013	-0.032	31.606	-0.006	-0.006	0.000	0.000	0.000	0.000
262	A	276	GLY	0	0.034	0.026	33.933	0.000	0.000	0.000	0.000	0.000	0.000
263	A	277	CYS	0	-0.035	-0.019	31.871	-0.013	-0.013	0.000	0.000	0.000	0.000
264	A	278	GLY	0	0.039	0.008	33.167	-0.013	-0.013	0.000	0.000	0.000	0.000
265	A	279	LEU	0	-0.056	-0.013	31.260	0.000	0.000	0.000	0.000	0.000	0.000
266	A	280	THR	0	0.000	-0.020	34.345	0.004	0.004	0.000	0.000	0.000	0.000
267	A	281	GLY	0	0.013	0.008	37.596	0.007	0.007	0.000	0.000	0.000	0.000
268	A	282	THR	0	-0.002	0.000	39.453	0.002	0.002	0.000	0.000	0.000	0.000
269	A	283	ALA	0	0.000	0.011	37.930	-0.006	-0.006	0.000	0.000	0.000	0.000
270	A	284	TRP	0	-0.029	-0.034	35.108	-0.010	-0.010	0.000	0.000	0.000	0.000
271	A	285	ALA	0	0.002	-0.004	38.925	0.003	0.003	0.000	0.000	0.000	0.000
272	A	286	TYR	0	-0.050	-0.061	40.537	0.002	0.002	0.000	0.000	0.000	0.000
273	A	287	GLN	0	0.030	0.004	42.246	0.000	0.000	0.000	0.000	0.000	0.000
274	A	288	GLN	0	-0.051	-0.032	41.403	0.008	0.008	0.000	0.000	0.000	0.000
275	A	289	LEU	0	-0.083	-0.041	43.520	0.003	0.003	0.000	0.000	0.000	0.000
276	A	290	ASP	-1	-0.913	-0.943	47.161	-0.061	-0.061	0.000	0.000	0.000	0.000
277	A	291	VAL	0	0.006	0.014	47.582	0.004	0.004	0.000	0.000	0.000	0.000
278	A	292	ALA	0	0.008	0.001	47.294	-0.004	-0.004	0.000	0.000	0.000	0.000
279	A	293	PRO	0	0.007	0.022	43.616	0.004	0.004	0.000	0.000	0.000	0.000
280	A	294	ASP	-1	-0.709	-0.859	46.011	-0.054	-0.054	0.000	0.000	0.000	0.000
281	A	295	ILE	0	-0.020	-0.013	40.020	-0.002	-0.002	0.000	0.000	0.000	0.000
282	A	296	VAL	0	0.009	0.017	37.724	0.002	0.002	0.000	0.000	0.000	0.000
283	A	297	ALA	0	0.002	0.007	34.693	-0.003	-0.003	0.000	0.000	0.000	0.000
284	A	298	PHE	0	0.018	0.009	31.886	-0.002	-0.002	0.000	0.000	0.000	0.000
285	A	299	GLY	0	0.067	-0.018	29.308	0.002	0.002	0.000	0.000	0.000	0.000
286	A	300	LYS	1	0.899	0.953	25.712	0.149	0.149	0.000	0.000	0.000	0.000
287	A	301	LYS	1	0.920	0.972	26.221	0.179	0.179	0.000	0.000	0.000	0.000
288	A	302	THR	0	-0.002	-0.014	27.836	-0.012	-0.012	0.000	0.000	0.000	0.000
289	A	303	GLN	0	-0.057	0.013	23.060	-0.043	-0.043	0.000	0.000	0.000	0.000
290	A	304	VAL	0	0.012	0.015	25.075	-0.002	-0.002	0.000	0.000	0.000	0.000
291	A	305	CYS	0	-0.085	-0.010	26.867	0.005	0.005	0.000	0.000	0.000	0.000
292	A	306	GLY	0	0.053	0.012	29.538	0.000	0.000	0.000	0.000	0.000	0.000
293	A	307	VAL	0	-0.004	-0.001	33.034	0.002	0.002	0.000	0.000	0.000	0.000
294	A	308	MET	0	0.000	0.006	36.729	-0.006	-0.006	0.000	0.000	0.000	0.000
295	A	309	ALA	0	-0.008	-0.006	39.812	0.004	0.004	0.000	0.000	0.000	0.000
296	A	310	GLY	0	0.033	0.009	43.063	-0.002	-0.002	0.000	0.000	0.000	0.000
297	A	311	ARG	1	0.759	0.888	46.784	0.055	0.055	0.000	0.000	0.000	0.000
298	A	312	ARG	1	0.852	0.920	49.879	0.041	0.041	0.000	0.000	0.000	0.000
299	A	313	VAL	0	-0.033	-0.008	45.300	0.002	0.002	0.000	0.000	0.000	0.000
300	A	314	ASP	-1	-0.831	-0.907	48.668	-0.061	-0.061	0.000	0.000	0.000	0.000
301	A	315	GLU	-1	-0.911	-0.944	50.729	-0.041	-0.041	0.000	0.000	0.000	0.000
302	A	316	VAL	0	-0.024	0.015	50.813	0.003	0.003	0.000	0.000	0.000	0.000
303	A	317	ALA	0	0.008	-0.008	50.919	-0.003	-0.003	0.000	0.000	0.000	0.000
304	A	318	ASP	-1	-0.927	-0.965	50.170	-0.039	-0.039	0.000	0.000	0.000	0.000
305	A	319	ASN	0	0.066	0.031	46.416	-0.002	-0.002	0.000	0.000	0.000	0.000
306	A	320	VAL	0	-0.028	-0.037	41.820	-0.001	-0.001	0.000	0.000	0.000	0.000
307	A	321	PHE	0	-0.048	-0.032	39.624	-0.004	-0.004	0.000	0.000	0.000	0.000
308	A	322	ALA	0	-0.015	0.011	43.601	-0.003	-0.003	0.000	0.000	0.000	0.000
309	A	323	VAL	0	-0.031	0.001	45.462	0.002	0.002	0.000	0.000	0.000	0.000
310	A	324	PRO	0	0.017	-0.004	42.600	-0.002	-0.002	0.000	0.000	0.000	0.000
311	A	325	SER	0	-0.007	-0.016	39.477	0.003	0.003	0.000	0.000	0.000	0.000
312	A	326	ARG	1	0.841	0.927	40.226	0.042	0.042	0.000	0.000	0.000	0.000
313	A	327	LEU	0	-0.024	-0.005	37.014	0.003	0.003	0.000	0.000	0.000	0.000
314	A	328	ALA	0	0.009	-0.005	34.744	-0.003	-0.003	0.000	0.000	0.000	0.000
315	A	329	SER	0	-0.027	-0.017	29.271	-0.002	-0.002	0.000	0.000	0.000	0.000
316	A	330	THR	0	0.028	0.009	27.265	0.002	0.002	0.000	0.000	0.000	0.000
317	A	331	TRP	0	0.046	0.002	21.690	-0.005	-0.005	0.000	0.000	0.000	0.000
318	A	332	GLY	0	0.022	0.034	27.819	-0.006	-0.006	0.000	0.000	0.000	0.000
319	A	333	GLY	0	0.026	0.007	27.131	-0.004	-0.004	0.000	0.000	0.000	0.000
320	A	334	ASN	0	0.017	-0.002	20.224	-0.003	-0.003	0.000	0.000	0.000	0.000
321	A	335	LEU	0	0.061	0.022	24.648	-0.007	-0.007	0.000	0.000	0.000	0.000
322	A	336	THR	0	0.049	0.021	19.912	-0.011	-0.011	0.000	0.000	0.000	0.000
323	A	337	ASP	-1	-0.862	-0.922	21.972	-0.358	-0.358	0.000	0.000	0.000	0.000
324	A	338	MET	0	-0.040	-0.004	24.334	0.007	0.007	0.000	0.000	0.000	0.000
325	A	339	VAL	0	0.006	0.010	25.623	0.010	0.010	0.000	0.000	0.000	0.000
326	A	340	ARG	1	0.841	0.890	20.465	0.417	0.417	0.000	0.000	0.000	0.000
327	A	341	ALA	0	0.006	0.000	25.527	0.005	0.005	0.000	0.000	0.000	0.000
328	A	342	ARG	1	0.864	0.930	28.291	0.248	0.248	0.000	0.000	0.000	0.000
329	A	343	ARG	1	0.854	0.945	27.863	0.266	0.266	0.000	0.000	0.000	0.000
330	A	344	ILE	0	-0.003	-0.018	25.176	0.004	0.004	0.000	0.000	0.000	0.000
331	A	345	LEU	0	-0.005	-0.009	29.598	0.010	0.010	0.000	0.000	0.000	0.000
332	A	346	GLU	-1	-0.851	-0.933	32.938	-0.202	-0.202	0.000	0.000	0.000	0.000
333	A	347	VAL	0	-0.023	-0.002	30.132	0.006	0.006	0.000	0.000	0.000	0.000
334	A	348	ILE	0	-0.032	-0.021	31.744	0.008	0.008	0.000	0.000	0.000	0.000
335	A	349	GLU	-1	-0.884	-0.936	34.909	-0.142	-0.142	0.000	0.000	0.000	0.000
336	A	350	ALA	0	-0.038	-0.016	36.459	0.008	0.008	0.000	0.000	0.000	0.000
337	A	351	GLU	-1	-0.972	-0.993	34.011	-0.217	-0.217	0.000	0.000	0.000	0.000
338	A	352	GLY	0	-0.004	0.016	37.652	0.004	0.004	0.000	0.000	0.000	0.000
339	A	353	LEU	0	-0.008	-0.027	32.450	0.004	0.004	0.000	0.000	0.000	0.000
340	A	354	PHE	0	0.004	0.009	35.678	0.000	0.000	0.000	0.000	0.000	0.000
341	A	355	GLU	-1	-0.838	-0.922	38.507	-0.108	-0.108	0.000	0.000	0.000	0.000
342	A	356	ARG	1	0.839	0.908	33.988	0.188	0.188	0.000	0.000	0.000	0.000
343	A	357	ALA	0	0.024	0.009	35.822	0.001	0.001	0.000	0.000	0.000	0.000
344	A	358	VAL	0	0.019	0.019	37.275	0.006	0.006	0.000	0.000	0.000	0.000
345	A	359	GLN	0	-0.044	-0.024	40.890	0.008	0.008	0.000	0.000	0.000	0.000
346	A	360	HIS	0	-0.024	-0.023	35.830	0.000	0.000	0.000	0.000	0.000	0.000
347	A	361	GLY	0	0.032	0.018	37.660	0.000	0.000	0.000	0.000	0.000	0.000
348	A	362	LYS	1	0.919	0.962	38.547	0.099	0.099	0.000	0.000	0.000	0.000
349	A	363	TYR	0	-0.087	-0.063	38.050	0.007	0.007	0.000	0.000	0.000	0.000
350	A	364	LEU	0	0.026	0.000	34.134	0.003	0.003	0.000	0.000	0.000	0.000
351	A	365	ARG	1	0.932	0.969	38.102	0.078	0.078	0.000	0.000	0.000	0.000
352	A	366	ALA	0	0.022	0.017	40.692	0.005	0.005	0.000	0.000	0.000	0.000
353	A	367	ARG	1	0.842	0.929	38.687	0.099	0.099	0.000	0.000	0.000	0.000
354	A	368	LEU	0	-0.007	-0.008	36.180	0.004	0.004	0.000	0.000	0.000	0.000
355	A	369	ASP	-1	-0.861	-0.929	40.260	-0.064	-0.064	0.000	0.000	0.000	0.000
356	A	370	GLU	-1	-0.923	-0.972	42.948	-0.076	-0.076	0.000	0.000	0.000	0.000
357	A	371	LEU	0	-0.032	-0.017	37.277	0.003	0.003	0.000	0.000	0.000	0.000
358	A	372	ALA	0	0.008	0.002	41.950	0.004	0.004	0.000	0.000	0.000	0.000
359	A	373	ALA	0	-0.046	-0.017	44.038	0.004	0.004	0.000	0.000	0.000	0.000
360	A	374	ASP	-1	-0.820	-0.900	43.881	-0.056	-0.056	0.000	0.000	0.000	0.000
361	A	375	PHE	0	-0.064	-0.035	41.170	0.003	0.003	0.000	0.000	0.000	0.000
362	A	376	PRO	0	0.047	0.033	43.897	0.001	0.001	0.000	0.000	0.000	0.000
363	A	377	ALA	0	-0.047	-0.025	45.931	0.001	0.001	0.000	0.000	0.000	0.000
364	A	378	VAL	0	-0.037	-0.022	39.492	0.003	0.003	0.000	0.000	0.000	0.000
365	A	379	VAL	0	-0.007	-0.004	38.994	-0.001	-0.001	0.000	0.000	0.000	0.000
366	A	380	LEU	0	0.003	0.001	40.767	0.000	0.000	0.000	0.000	0.000	0.000
367	A	381	ASP	-1	-0.907	-0.966	40.996	-0.055	-0.055	0.000	0.000	0.000	0.000
368	A	382	PRO	0	0.030	0.030	40.395	-0.004	-0.004	0.000	0.000	0.000	0.000
369	A	383	ARG	1	0.781	0.863	37.753	0.062	0.062	0.000	0.000	0.000	0.000
370	A	384	GLY	0	0.016	-0.020	38.978	-0.006	-0.006	0.000	0.000	0.000	0.000
371	A	385	ARG	1	0.900	0.961	38.695	0.085	0.085	0.000	0.000	0.000	0.000
372	A	386	GLY	0	0.046	0.031	38.132	-0.006	-0.006	0.000	0.000	0.000	0.000
373	A	387	LEU	0	-0.008	-0.015	32.822	0.003	0.003	0.000	0.000	0.000	0.000
374	A	388	MET	0	-0.082	-0.018	33.650	-0.006	-0.006	0.000	0.000	0.000	0.000
375	A	389	CYS	0	-0.013	0.004	34.308	0.011	0.011	0.000	0.000	0.000	0.000
376	A	390	ALA	0	0.000	-0.004	34.177	-0.006	-0.006	0.000	0.000	0.000	0.000
377	A	391	PHE	0	0.023	0.018	34.895	0.001	0.001	0.000	0.000	0.000	0.000
378	A	392	SER	0	0.005	0.001	36.246	-0.004	-0.004	0.000	0.000	0.000	0.000
379	A	393	LEU	0	-0.013	0.010	34.835	-0.001	-0.001	0.000	0.000	0.000	0.000
380	A	394	PRO	0	0.008	0.007	38.601	0.002	0.002	0.000	0.000	0.000	0.000
381	A	395	THR	0	-0.001	0.006	38.554	0.005	0.005	0.000	0.000	0.000	0.000
382	A	396	THR	0	-0.019	-0.039	33.308	-0.003	-0.003	0.000	0.000	0.000	0.000
383	A	397	ALA	0	-0.013	-0.001	33.688	-0.001	-0.001	0.000	0.000	0.000	0.000
384	A	398	ASP	-1	-0.809	-0.906	33.807	-0.016	-0.016	0.000	0.000	0.000	0.000
385	A	399	ARG	1	0.757	0.889	31.056	0.028	0.028	0.000	0.000	0.000	0.000
386	A	400	ASP	-1	-0.867	-0.951	29.599	-0.017	-0.017	0.000	0.000	0.000	0.000
387	A	401	GLU	-1	-0.839	-0.894	29.046	-0.007	-0.007	0.000	0.000	0.000	0.000
388	A	402	LEU	0	0.029	0.014	30.266	-0.006	-0.006	0.000	0.000	0.000	0.000
389	A	403	ILE	0	0.000	-0.004	25.578	-0.011	-0.011	0.000	0.000	0.000	0.000
390	A	404	ARG	1	0.872	0.929	25.430	-0.017	-0.017	0.000	0.000	0.000	0.000
391	A	405	GLN	0	0.000	-0.005	26.134	-0.019	-0.019	0.000	0.000	0.000	0.000
392	A	406	LEU	0	-0.003	-0.004	27.095	-0.009	-0.009	0.000	0.000	0.000	0.000
393	A	407	TRP	0	0.048	0.035	17.365	-0.027	-0.027	0.000	0.000	0.000	0.000
394	A	408	GLN	0	-0.020	-0.015	23.085	-0.023	-0.023	0.000	0.000	0.000	0.000
395	A	409	ARG	1	0.800	0.896	24.911	0.067	0.067	0.000	0.000	0.000	0.000
396	A	410	ALA	0	-0.053	-0.018	22.600	-0.012	-0.012	0.000	0.000	0.000	0.000
397	A	411	VAL	0	0.000	0.002	23.580	-0.023	-0.023	0.000	0.000	0.000	0.000
398	A	412	ILE	0	-0.011	-0.004	19.437	0.017	0.017	0.000	0.000	0.000	0.000
399	A	413	VAL	0	0.026	0.016	23.654	-0.007	-0.007	0.000	0.000	0.000	0.000
400	A	414	LEU	0	-0.005	-0.005	23.027	0.005	0.005	0.000	0.000	0.000	0.000
401	A	415	PRO	0	0.039	0.035	25.975	0.005	0.005	0.000	0.000	0.000	0.000
402	A	416	ALA	0	-0.009	-0.004	28.937	-0.007	-0.007	0.000	0.000	0.000	0.000
403	A	417	GLY	0	0.027	0.016	31.584	0.004	0.004	0.000	0.000	0.000	0.000
404	A	418	ALA	0	-0.032	-0.030	33.128	0.003	0.003	0.000	0.000	0.000	0.000
405	A	419	ASP	-1	-0.834	-0.912	35.194	-0.030	-0.030	0.000	0.000	0.000	0.000
406	A	420	THR	0	-0.014	0.009	33.860	-0.004	-0.004	0.000	0.000	0.000	0.000
407	A	421	VAL	0	0.027	0.009	30.449	0.001	0.001	0.000	0.000	0.000	0.000
408	A	422	ARG	1	0.747	0.857	27.974	0.100	0.100	0.000	0.000	0.000	0.000
409	A	423	PHE	0	0.001	-0.006	29.743	-0.009	-0.009	0.000	0.000	0.000	0.000
410	A	424	ARG	1	0.702	0.802	27.374	0.131	0.131	0.000	0.000	0.000	0.000
411	A	425	PRO	0	0.043	0.035	27.310	-0.019	-0.019	0.000	0.000	0.000	0.000
412	A	426	PRO	0	0.028	0.021	26.296	0.006	0.006	0.000	0.000	0.000	0.000
413	A	427	LEU	0	-0.004	-0.017	28.381	0.013	0.013	0.000	0.000	0.000	0.000
414	A	428	THR	0	-0.028	-0.016	28.335	0.013	0.013	0.000	0.000	0.000	0.000
415	A	429	VAL	0	-0.005	0.024	29.966	-0.002	-0.002	0.000	0.000	0.000	0.000
416	A	430	SER	0	0.024	0.026	31.193	0.017	0.017	0.000	0.000	0.000	0.000
417	A	431	THR	0	0.055	0.006	33.690	-0.001	-0.001	0.000	0.000	0.000	0.000
418	A	432	ALA	0	0.051	0.037	33.943	0.005	0.005	0.000	0.000	0.000	0.000
419	A	433	GLU	-1	-0.837	-0.909	28.988	-0.242	-0.242	0.000	0.000	0.000	0.000
420	A	434	ILE	0	0.000	0.000	31.377	0.002	0.002	0.000	0.000	0.000	0.000
421	A	435	ASP	-1	-0.829	-0.891	33.624	-0.117	-0.117	0.000	0.000	0.000	0.000
422	A	436	ALA	0	-0.032	-0.014	30.458	0.008	0.008	0.000	0.000	0.000	0.000
423	A	437	ALA	0	0.001	-0.002	30.286	0.005	0.005	0.000	0.000	0.000	0.000
424	A	438	ILE	0	0.003	-0.004	31.359	0.010	0.010	0.000	0.000	0.000	0.000
425	A	439	ALA	0	0.002	-0.002	33.833	0.010	0.010	0.000	0.000	0.000	0.000
426	A	440	ALA	0	-0.007	-0.001	30.098	0.009	0.009	0.000	0.000	0.000	0.000
427	A	441	VAL	0	0.008	-0.003	32.157	0.010	0.010	0.000	0.000	0.000	0.000
428	A	442	ARG	1	0.846	0.907	33.924	0.082	0.082	0.000	0.000	0.000	0.000
429	A	443	SER	0	-0.062	-0.025	33.443	0.007	0.007	0.000	0.000	0.000	0.000
430	A	444	ALA	0	-0.028	-0.013	31.898	0.007	0.007	0.000	0.000	0.000	0.000
431	A	445	LEU	0	0.012	0.002	33.921	0.008	0.008	0.000	0.000	0.000	0.000
432	A	446	PRO	0	-0.004	0.000	37.057	0.006	0.006	0.000	0.000	0.000	0.000
433	A	447	VAL	0	-0.063	-0.019	33.559	0.005	0.005	0.000	0.000	0.000	0.000
434	A	448	VAL	0	-0.043	-0.001	34.530	0.005	0.005	0.000	0.000	0.000	0.000
435	A	449	THR	0	-0.045	-0.013	36.371	0.006	0.006	0.000	0.000	0.000	0.000

Top

Graph

Manual

About

Interactive mode: IFIE and PIEDA for fragment #1(A:15:THR)