FMO DATABASE

FMODB ID: MN5MZ

Calculation Name: 1WZ2-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 1WZ2

Chain ID: A

ChEMBL ID:

UniProt ID: O58698

Base Structure: X-ray

Registration Date: 2023-09-24

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

DOI:

IFIE MAP

IFIE Diagram

Modeling method

Optimization	MOE:Amber10:EHT
Restraint	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	948
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-27652370.887803
FMO2-HF: Nuclear repulsion	27264701.739407
FMO2-HF: Total energy	-387669.148396
FMO2-MP2: Total energy	-388816.557592

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:LEU)

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

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.
-7.818	0.301	3.799	-4.878	-7.04	-0.035

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

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.023 / q_NPA : 0.009

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	PHE	0	0.047	0.011	3.441	-1.745	1.492	0.231	-1.541	-1.927	-0.002
4	A	7	LYS	1	0.827	0.932	6.024	-0.988	-0.988	0.000	0.000	0.000	0.000
5	A	8	ALA	0	0.022	0.008	8.350	-0.144	-0.144	0.000	0.000	0.000	0.000
6	A	9	ILE	0	-0.013	-0.004	6.144	0.084	0.084	0.000	0.000	0.000	0.000
7	A	10	GLU	-1	-0.767	-0.883	10.013	0.507	0.507	0.000	0.000	0.000	0.000
8	A	11	GLU	-1	-0.923	-0.961	12.182	0.201	0.201	0.000	0.000	0.000	0.000
9	A	12	LYN	0	-0.010	0.033	11.892	-0.097	-0.097	0.000	0.000	0.000	0.000
10	A	13	TRP	0	-0.017	-0.024	12.450	-0.121	-0.121	0.000	0.000	0.000	0.000
11	A	14	GLN	0	-0.033	-0.017	15.599	-0.094	-0.094	0.000	0.000	0.000	0.000
12	A	15	LYS	1	0.788	0.888	18.007	-0.274	-0.274	0.000	0.000	0.000	0.000
13	A	16	ARG	1	0.837	0.905	15.776	-0.414	-0.414	0.000	0.000	0.000	0.000
14	A	17	TRP	0	-0.023	-0.028	16.299	-0.021	-0.021	0.000	0.000	0.000	0.000
15	A	18	LEU	0	-0.011	-0.002	21.928	-0.028	-0.028	0.000	0.000	0.000	0.000
16	A	19	GLU	-1	-0.857	-0.914	22.151	0.188	0.188	0.000	0.000	0.000	0.000
17	A	20	ALA	0	-0.030	-0.010	24.472	-0.015	-0.015	0.000	0.000	0.000	0.000
18	A	21	LYS	1	0.833	0.896	26.173	-0.137	-0.137	0.000	0.000	0.000	0.000
19	A	22	ILE	0	-0.002	0.014	23.091	-0.008	-0.008	0.000	0.000	0.000	0.000
20	A	23	PHE	0	-0.038	-0.030	21.160	0.002	0.002	0.000	0.000	0.000	0.000
21	A	24	GLU	-1	-0.817	-0.860	27.099	0.124	0.124	0.000	0.000	0.000	0.000
22	A	25	PRO	0	-0.033	0.011	30.607	-0.005	-0.005	0.000	0.000	0.000	0.000
23	A	26	ASN	0	0.006	-0.029	32.769	-0.002	-0.002	0.000	0.000	0.000	0.000
24	A	27	ILE	0	0.009	0.000	36.304	0.002	0.002	0.000	0.000	0.000	0.000
25	A	28	ARG	0	0.022	0.026	39.122	0.004	0.004	0.000	0.000	0.000	0.000
26	A	29	ASP	-1	-0.916	-0.925	34.097	0.104	0.104	0.000	0.000	0.000	0.000
27	A	30	LYS	1	0.835	0.908	32.163	-0.111	-0.111	0.000	0.000	0.000	0.000
28	A	31	PRO	0	0.031	0.030	38.308	-0.001	-0.001	0.000	0.000	0.000	0.000
29	A	32	LYS	1	0.904	0.962	39.834	-0.058	-0.058	0.000	0.000	0.000	0.000
30	A	33	GLU	-1	-0.867	-0.925	40.528	0.069	0.069	0.000	0.000	0.000	0.000
31	A	34	LYS	1	0.873	0.925	36.145	-0.072	-0.072	0.000	0.000	0.000	0.000
32	A	35	LYS	1	0.814	0.928	35.571	-0.066	-0.066	0.000	0.000	0.000	0.000
33	A	36	PHE	0	0.012	-0.011	30.660	-0.001	-0.001	0.000	0.000	0.000	0.000
34	A	37	TYR	0	-0.059	-0.047	33.297	0.009	0.009	0.000	0.000	0.000	0.000
35	A	38	ILE	0	0.005	-0.002	29.833	-0.005	-0.005	0.000	0.000	0.000	0.000
36	A	39	THR	0	-0.004	-0.001	32.293	0.002	0.002	0.000	0.000	0.000	0.000
37	A	40	VAL	0	0.012	0.005	28.722	-0.001	-0.001	0.000	0.000	0.000	0.000
38	A	41	ALA	0	0.016	0.010	32.002	-0.002	-0.002	0.000	0.000	0.000	0.000
39	A	42	PHE	0	0.002	0.017	31.722	0.005	0.005	0.000	0.000	0.000	0.000
40	A	43	PRO	0	0.007	0.011	28.785	-0.006	-0.006	0.000	0.000	0.000	0.000
41	A	44	TYR	0	-0.033	-0.018	31.588	-0.002	-0.002	0.000	0.000	0.000	0.000
42	A	45	LEU	0	-0.043	0.000	31.131	0.000	0.000	0.000	0.000	0.000	0.000
43	A	46	SER	0	0.002	-0.013	32.592	-0.005	-0.005	0.000	0.000	0.000	0.000
44	A	47	GLY	0	-0.019	-0.008	30.012	-0.007	-0.007	0.000	0.000	0.000	0.000
45	A	48	HIS	0	-0.018	0.013	24.189	0.012	0.012	0.000	0.000	0.000	0.000
46	A	49	LEU	0	0.012	0.016	24.265	-0.006	-0.006	0.000	0.000	0.000	0.000
47	A	50	HIS	0	0.028	0.021	22.731	0.005	0.005	0.000	0.000	0.000	0.000
48	A	51	VAL	0	0.051	0.004	18.180	0.010	0.010	0.000	0.000	0.000	0.000
49	A	52	GLY	0	-0.014	-0.010	21.255	0.005	0.005	0.000	0.000	0.000	0.000
50	A	53	HIS	0	0.007	-0.004	24.682	0.005	0.005	0.000	0.000	0.000	0.000
51	A	54	ALA	0	0.022	0.016	20.292	0.004	0.004	0.000	0.000	0.000	0.000
52	A	55	ARG	1	0.833	0.928	22.380	-0.067	-0.067	0.000	0.000	0.000	0.000
53	A	56	THR	0	0.023	0.017	23.277	0.006	0.006	0.000	0.000	0.000	0.000
54	A	57	TYR	0	-0.035	-0.033	24.036	-0.003	-0.003	0.000	0.000	0.000	0.000
55	A	58	THR	0	-0.002	-0.020	19.068	0.019	0.019	0.000	0.000	0.000	0.000
56	A	59	ILE	0	-0.003	-0.007	22.115	0.010	0.010	0.000	0.000	0.000	0.000
57	A	60	PRO	0	0.025	0.010	24.782	0.003	0.003	0.000	0.000	0.000	0.000
58	A	61	ASP	-1	-0.693	-0.804	20.765	0.264	0.264	0.000	0.000	0.000	0.000
59	A	62	VAL	0	-0.028	-0.015	20.027	0.008	0.008	0.000	0.000	0.000	0.000
60	A	63	ILE	0	0.030	0.015	22.626	0.001	0.001	0.000	0.000	0.000	0.000
61	A	64	ALA	0	-0.015	-0.007	25.874	-0.005	-0.005	0.000	0.000	0.000	0.000
62	A	65	ARG	1	0.794	0.888	19.147	-0.323	-0.323	0.000	0.000	0.000	0.000
63	A	66	PHE	0	0.036	0.020	23.879	-0.002	-0.002	0.000	0.000	0.000	0.000
64	A	67	LYS	1	0.831	0.898	25.073	-0.107	-0.107	0.000	0.000	0.000	0.000
65	A	68	ARG	1	0.866	0.942	25.080	-0.183	-0.183	0.000	0.000	0.000	0.000
66	A	69	MET	0	-0.023	0.015	20.665	0.002	0.002	0.000	0.000	0.000	0.000
67	A	70	GLN	0	-0.047	-0.010	25.836	-0.009	-0.009	0.000	0.000	0.000	0.000
68	A	71	GLY	0	0.001	0.005	28.831	-0.011	-0.011	0.000	0.000	0.000	0.000
69	A	72	TYR	0	-0.025	-0.014	30.982	-0.008	-0.008	0.000	0.000	0.000	0.000
70	A	73	ASN	0	-0.016	-0.018	31.207	0.016	0.016	0.000	0.000	0.000	0.000
71	A	74	VAL	0	-0.087	-0.035	28.638	-0.005	-0.005	0.000	0.000	0.000	0.000
72	A	75	LEU	0	-0.030	0.007	30.850	0.007	0.007	0.000	0.000	0.000	0.000
73	A	76	PHE	0	0.028	-0.003	24.895	-0.005	-0.005	0.000	0.000	0.000	0.000
74	A	77	PRO	0	0.011	0.028	29.309	0.009	0.009	0.000	0.000	0.000	0.000
75	A	78	MET	0	-0.038	-0.013	27.200	-0.004	-0.004	0.000	0.000	0.000	0.000
76	A	79	ALA	0	0.034	0.019	30.853	-0.002	-0.002	0.000	0.000	0.000	0.000
77	A	80	TRP	0	-0.046	-0.036	27.407	0.003	0.003	0.000	0.000	0.000	0.000
78	A	81	HIS	0	-0.017	-0.001	33.929	-0.006	-0.006	0.000	0.000	0.000	0.000
79	A	82	ILE	0	0.031	-0.007	36.054	0.000	0.000	0.000	0.000	0.000	0.000
80	A	83	THR	0	-0.050	-0.034	38.691	-0.002	-0.002	0.000	0.000	0.000	0.000
81	A	84	GLY	0	0.020	0.011	41.880	0.000	0.000	0.000	0.000	0.000	0.000
82	A	85	SER	0	0.047	0.022	42.942	0.000	0.000	0.000	0.000	0.000	0.000
83	A	86	PRO	0	0.005	0.003	38.675	-0.001	-0.001	0.000	0.000	0.000	0.000
84	A	87	ILE	0	0.025	0.001	36.743	-0.002	-0.002	0.000	0.000	0.000	0.000
85	A	88	VAL	0	-0.011	0.006	39.267	-0.001	-0.001	0.000	0.000	0.000	0.000
86	A	89	GLY	0	0.112	0.064	42.795	-0.001	-0.001	0.000	0.000	0.000	0.000
87	A	90	ILE	0	-0.125	-0.058	36.086	-0.002	-0.002	0.000	0.000	0.000	0.000
88	A	91	ALA	0	0.047	0.040	39.735	-0.002	-0.002	0.000	0.000	0.000	0.000
89	A	92	GLU	-1	-0.842	-0.937	41.198	0.022	0.022	0.000	0.000	0.000	0.000
90	A	93	ARG	1	0.868	0.942	40.538	-0.025	-0.025	0.000	0.000	0.000	0.000
91	A	94	ILE	0	-0.011	-0.012	36.937	-0.002	-0.002	0.000	0.000	0.000	0.000
92	A	95	LYS	1	0.897	0.949	40.287	-0.020	-0.020	0.000	0.000	0.000	0.000
93	A	96	ASN	0	-0.081	-0.047	43.579	-0.002	-0.002	0.000	0.000	0.000	0.000
94	A	97	ARG	1	0.784	0.884	40.659	-0.015	-0.015	0.000	0.000	0.000	0.000
95	A	98	ASP	-1	-0.773	-0.864	40.336	0.012	0.012	0.000	0.000	0.000	0.000
96	A	99	PRO	0	0.053	0.016	38.817	0.001	0.001	0.000	0.000	0.000	0.000
97	A	100	LYS	1	0.930	0.962	36.591	-0.013	-0.013	0.000	0.000	0.000	0.000
98	A	101	THR	0	-0.045	-0.050	35.506	0.002	0.002	0.000	0.000	0.000	0.000
99	A	102	ILE	0	0.022	0.011	35.033	0.002	0.002	0.000	0.000	0.000	0.000
100	A	103	TRP	0	0.021	0.022	29.453	0.003	0.003	0.000	0.000	0.000	0.000
101	A	104	ILE	0	-0.020	-0.014	30.914	0.001	0.001	0.000	0.000	0.000	0.000
102	A	105	TYR	0	-0.044	-0.055	29.953	0.003	0.003	0.000	0.000	0.000	0.000
103	A	106	ARG	1	0.819	0.893	29.280	0.001	0.001	0.000	0.000	0.000	0.000
104	A	107	ASP	-1	-0.865	-0.921	27.395	0.000	0.000	0.000	0.000	0.000	0.000
105	A	108	VAL	0	-0.071	-0.026	25.795	-0.001	-0.001	0.000	0.000	0.000	0.000
106	A	109	TYR	0	-0.052	-0.028	25.037	0.003	0.003	0.000	0.000	0.000	0.000
107	A	110	LYS	1	0.821	0.907	19.599	-0.010	-0.010	0.000	0.000	0.000	0.000
108	A	111	VAL	0	-0.012	0.002	25.708	0.004	0.004	0.000	0.000	0.000	0.000
109	A	112	PRO	0	0.006	-0.005	26.920	-0.005	-0.005	0.000	0.000	0.000	0.000
110	A	113	GLU	-1	-0.809	-0.899	29.218	0.008	0.008	0.000	0.000	0.000	0.000
111	A	114	GLU	-1	-0.906	-0.954	32.491	0.017	0.017	0.000	0.000	0.000	0.000
112	A	115	ILE	0	0.019	0.002	29.702	0.002	0.002	0.000	0.000	0.000	0.000
113	A	116	LEU	0	-0.011	0.025	32.269	0.002	0.002	0.000	0.000	0.000	0.000
114	A	117	TRP	0	0.010	0.001	34.316	0.000	0.000	0.000	0.000	0.000	0.000
115	A	118	THR	0	-0.044	-0.030	35.923	0.001	0.001	0.000	0.000	0.000	0.000
116	A	119	PHE	0	-0.017	-0.032	31.849	0.002	0.002	0.000	0.000	0.000	0.000
117	A	120	GLU	-1	-0.790	-0.867	38.117	0.018	0.018	0.000	0.000	0.000	0.000
118	A	121	ASP	-1	-0.841	-0.904	41.059	0.035	0.035	0.000	0.000	0.000	0.000
119	A	122	PRO	0	0.048	-0.002	39.850	0.002	0.002	0.000	0.000	0.000	0.000
120	A	123	ILE	0	-0.023	-0.011	38.953	0.004	0.004	0.000	0.000	0.000	0.000
121	A	124	ASN	0	0.016	0.001	36.806	0.007	0.007	0.000	0.000	0.000	0.000
122	A	125	ILE	0	-0.025	0.013	34.682	0.004	0.004	0.000	0.000	0.000	0.000
123	A	126	VAL	0	0.013	0.005	33.940	0.005	0.005	0.000	0.000	0.000	0.000
124	A	127	LYS	1	0.907	0.955	34.124	-0.040	-0.040	0.000	0.000	0.000	0.000
125	A	128	TYR	0	0.002	0.000	27.005	0.007	0.007	0.000	0.000	0.000	0.000
126	A	129	PHE	0	0.029	-0.001	27.987	0.005	0.005	0.000	0.000	0.000	0.000
127	A	130	MET	0	-0.011	0.011	29.427	0.005	0.005	0.000	0.000	0.000	0.000
128	A	131	LYS	1	0.791	0.880	25.506	-0.089	-0.089	0.000	0.000	0.000	0.000
129	A	132	ALA	0	0.028	0.010	25.497	0.011	0.011	0.000	0.000	0.000	0.000
130	A	133	ALA	0	-0.013	0.009	24.565	0.013	0.013	0.000	0.000	0.000	0.000
131	A	134	LYS	1	0.879	0.923	24.907	-0.099	-0.099	0.000	0.000	0.000	0.000
132	A	135	GLU	-1	-0.787	-0.872	22.522	0.132	0.132	0.000	0.000	0.000	0.000
133	A	136	THR	0	-0.042	-0.037	20.454	0.023	0.023	0.000	0.000	0.000	0.000
134	A	137	PHE	0	-0.008	-0.029	20.173	0.023	0.023	0.000	0.000	0.000	0.000
135	A	138	ILE	0	-0.013	0.009	20.479	0.018	0.018	0.000	0.000	0.000	0.000
136	A	139	ARG	1	0.775	0.861	13.554	-0.277	-0.277	0.000	0.000	0.000	0.000
137	A	140	ALA	0	-0.048	-0.020	16.071	0.062	0.062	0.000	0.000	0.000	0.000
138	A	141	GLY	0	0.032	0.024	17.443	0.022	0.022	0.000	0.000	0.000	0.000
139	A	142	PHE	0	-0.080	-0.031	18.348	-0.006	-0.006	0.000	0.000	0.000	0.000
140	A	143	SER	0	-0.041	-0.037	21.808	0.000	0.000	0.000	0.000	0.000	0.000
141	A	144	VAL	0	-0.021	-0.024	23.848	-0.017	-0.017	0.000	0.000	0.000	0.000
142	A	145	ASP	-1	-0.701	-0.849	26.774	0.115	0.115	0.000	0.000	0.000	0.000
143	A	146	TRP	0	0.011	-0.022	24.347	-0.018	-0.018	0.000	0.000	0.000	0.000
144	A	147	SER	0	-0.027	-0.027	30.067	-0.011	-0.011	0.000	0.000	0.000	0.000
145	A	148	ARG	1	0.666	0.812	33.157	-0.098	-0.098	0.000	0.000	0.000	0.000
146	A	149	GLU	-1	-0.765	-0.854	30.677	0.105	0.105	0.000	0.000	0.000	0.000
147	A	150	PHE	0	-0.025	-0.014	34.011	-0.005	-0.005	0.000	0.000	0.000	0.000
148	A	151	TYR	0	-0.017	-0.018	35.383	0.005	0.005	0.000	0.000	0.000	0.000
149	A	152	THR	0	0.015	-0.001	37.468	-0.002	-0.002	0.000	0.000	0.000	0.000
150	A	153	THR	0	0.004	-0.001	40.413	-0.002	-0.002	0.000	0.000	0.000	0.000
151	A	154	SER	0	0.029	-0.001	43.764	0.001	0.001	0.000	0.000	0.000	0.000
152	A	155	LEU	0	-0.022	0.001	41.848	0.000	0.000	0.000	0.000	0.000	0.000
153	A	156	PHE	0	-0.022	-0.009	38.275	0.002	0.002	0.000	0.000	0.000	0.000
154	A	157	PRO	0	0.037	0.014	43.162	0.001	0.001	0.000	0.000	0.000	0.000
155	A	158	PRO	0	0.045	0.015	43.714	-0.001	-0.001	0.000	0.000	0.000	0.000
156	A	159	PHE	0	0.025	0.021	41.900	0.000	0.000	0.000	0.000	0.000	0.000
157	A	160	SER	0	0.014	0.000	44.305	-0.002	-0.002	0.000	0.000	0.000	0.000
158	A	161	LYS	1	0.792	0.911	47.051	-0.037	-0.037	0.000	0.000	0.000	0.000
159	A	162	PHE	0	0.011	0.022	44.093	-0.001	-0.001	0.000	0.000	0.000	0.000
160	A	163	ILE	0	-0.036	-0.020	44.217	-0.001	-0.001	0.000	0.000	0.000	0.000
161	A	164	GLU	-1	-0.803	-0.912	47.914	0.032	0.032	0.000	0.000	0.000	0.000
162	A	165	TRP	0	-0.073	-0.034	47.661	-0.001	-0.001	0.000	0.000	0.000	0.000
163	A	166	GLN	0	0.031	0.026	46.069	-0.001	-0.001	0.000	0.000	0.000	0.000
164	A	167	PHE	0	0.000	-0.028	48.206	-0.001	-0.001	0.000	0.000	0.000	0.000
165	A	168	TRP	0	-0.041	-0.033	52.756	-0.002	-0.002	0.000	0.000	0.000	0.000
166	A	169	LYS	1	0.832	0.917	53.451	-0.034	-0.034	0.000	0.000	0.000	0.000
167	A	170	LEU	0	-0.027	-0.010	50.863	-0.001	-0.001	0.000	0.000	0.000	0.000
168	A	171	LYS	1	0.867	0.940	55.353	-0.028	-0.028	0.000	0.000	0.000	0.000
169	A	172	GLU	-1	-0.843	-0.916	58.654	0.029	0.029	0.000	0.000	0.000	0.000
170	A	173	LYS	1	0.789	0.887	56.796	-0.028	-0.028	0.000	0.000	0.000	0.000
171	A	174	GLY	0	0.012	0.013	59.402	-0.001	-0.001	0.000	0.000	0.000	0.000
172	A	175	TYR	0	-0.051	-0.023	54.531	0.000	0.000	0.000	0.000	0.000	0.000
173	A	176	ILE	0	-0.018	0.002	53.937	0.001	0.001	0.000	0.000	0.000	0.000
174	A	177	VAL	0	0.012	0.009	57.649	-0.001	-0.001	0.000	0.000	0.000	0.000
175	A	178	LYS	1	0.808	0.898	58.671	-0.020	-0.020	0.000	0.000	0.000	0.000
176	A	179	GLY	0	0.013	0.006	60.596	0.000	0.000	0.000	0.000	0.000	0.000
177	A	180	ALA	0	0.017	0.012	60.496	0.000	0.000	0.000	0.000	0.000	0.000
178	A	181	HIS	0	-0.021	-0.004	53.327	0.001	0.001	0.000	0.000	0.000	0.000
179	A	182	ARG	1	0.857	0.922	55.992	-0.017	-0.017	0.000	0.000	0.000	0.000
180	A	183	VAL	0	-0.065	-0.038	52.315	0.001	0.001	0.000	0.000	0.000	0.000
181	A	184	ARG	1	0.897	0.949	49.418	-0.019	-0.019	0.000	0.000	0.000	0.000
182	A	185	TRP	0	0.020	0.001	53.281	0.002	0.002	0.000	0.000	0.000	0.000
183	A	186	ASP	-1	-0.699	-0.834	53.392	0.011	0.011	0.000	0.000	0.000	0.000
184	A	187	PRO	0	-0.047	-0.026	55.440	0.000	0.000	0.000	0.000	0.000	0.000
185	A	188	VAL	0	-0.072	-0.032	54.740	0.000	0.000	0.000	0.000	0.000	0.000
186	A	189	VAL	0	-0.006	-0.010	58.022	0.000	0.000	0.000	0.000	0.000	0.000
187	A	190	GLY	0	-0.009	-0.012	57.277	0.000	0.000	0.000	0.000	0.000	0.000
188	A	191	THR	0	-0.006	0.000	51.415	0.001	0.001	0.000	0.000	0.000	0.000
189	A	192	PRO	0	-0.038	-0.013	51.177	-0.001	-0.001	0.000	0.000	0.000	0.000
190	A	193	LEU	0	0.002	0.009	49.353	0.000	0.000	0.000	0.000	0.000	0.000
191	A	194	GLY	0	-0.041	-0.021	46.621	0.000	0.000	0.000	0.000	0.000	0.000
192	A	195	ASP	-1	-0.868	-0.932	45.165	0.022	0.022	0.000	0.000	0.000	0.000
193	A	196	HIS	0	-0.096	-0.042	41.793	0.002	0.002	0.000	0.000	0.000	0.000
194	A	197	ASP	-1	-0.909	-0.961	43.276	0.020	0.020	0.000	0.000	0.000	0.000
195	A	198	LEU	0	-0.079	-0.034	46.099	-0.001	-0.001	0.000	0.000	0.000	0.000
196	A	199	MET	0	-0.084	-0.031	45.986	0.000	0.000	0.000	0.000	0.000	0.000
197	A	200	GLU	-1	-0.931	-0.978	46.653	0.005	0.005	0.000	0.000	0.000	0.000
198	A	201	GLY	0	0.055	0.027	47.518	0.001	0.001	0.000	0.000	0.000	0.000
199	A	202	GLU	-1	-0.768	-0.911	44.117	0.018	0.018	0.000	0.000	0.000	0.000
200	A	203	ASP	-1	-0.947	-0.974	45.029	0.014	0.014	0.000	0.000	0.000	0.000
201	A	204	VAL	0	-0.052	-0.003	47.865	0.000	0.000	0.000	0.000	0.000	0.000
202	A	205	PRO	0	-0.025	-0.008	51.731	0.001	0.001	0.000	0.000	0.000	0.000
203	A	206	ILE	0	-0.018	-0.023	53.242	-0.001	-0.001	0.000	0.000	0.000	0.000
204	A	207	LEU	0	-0.035	-0.001	56.014	0.000	0.000	0.000	0.000	0.000	0.000
205	A	208	ASP	-1	-0.797	-0.914	59.228	0.015	0.015	0.000	0.000	0.000	0.000
206	A	209	TYR	0	-0.003	0.002	62.158	0.000	0.000	0.000	0.000	0.000	0.000
207	A	210	ILE	0	0.014	0.020	65.261	0.000	0.000	0.000	0.000	0.000	0.000
208	A	211	ILE	0	-0.053	-0.026	68.250	0.000	0.000	0.000	0.000	0.000	0.000
209	A	212	ILE	0	0.042	0.004	71.144	0.000	0.000	0.000	0.000	0.000	0.000
210	A	213	LYS	1	0.778	0.881	74.559	-0.010	-0.010	0.000	0.000	0.000	0.000
211	A	214	PHE	0	0.058	0.007	77.082	0.000	0.000	0.000	0.000	0.000	0.000
212	A	215	GLU	-1	-0.844	-0.906	80.118	0.007	0.007	0.000	0.000	0.000	0.000
213	A	216	LEU	0	0.020	0.012	83.081	0.000	0.000	0.000	0.000	0.000	0.000
214	A	217	ARG	1	0.780	0.877	85.183	-0.007	-0.007	0.000	0.000	0.000	0.000
215	A	218	GLU	-1	-0.810	-0.887	87.866	0.005	0.005	0.000	0.000	0.000	0.000
216	A	219	ASN	0	-0.088	-0.057	90.440	0.000	0.000	0.000	0.000	0.000	0.000
217	A	220	GLY	0	-0.009	-0.003	91.415	0.000	0.000	0.000	0.000	0.000	0.000
218	A	221	GLU	-1	-0.774	-0.877	89.472	0.007	0.007	0.000	0.000	0.000	0.000
219	A	222	VAL	0	-0.070	-0.032	84.857	0.000	0.000	0.000	0.000	0.000	0.000
220	A	223	ILE	0	-0.007	0.016	81.700	0.000	0.000	0.000	0.000	0.000	0.000
221	A	224	TYR	0	-0.016	-0.009	78.760	0.000	0.000	0.000	0.000	0.000	0.000
222	A	225	LEU	0	0.016	-0.001	78.085	0.000	0.000	0.000	0.000	0.000	0.000
223	A	226	PRO	0	-0.001	-0.005	73.642	0.000	0.000	0.000	0.000	0.000	0.000
224	A	227	ALA	0	0.030	0.029	73.236	0.000	0.000	0.000	0.000	0.000	0.000
225	A	228	ALA	0	0.002	0.010	68.225	0.000	0.000	0.000	0.000	0.000	0.000
226	A	229	THR	0	0.013	0.002	68.868	0.000	0.000	0.000	0.000	0.000	0.000
227	A	230	LEU	0	0.024	0.004	62.844	0.000	0.000	0.000	0.000	0.000	0.000
228	A	231	ARG	1	0.823	0.888	65.936	-0.008	-0.008	0.000	0.000	0.000	0.000
229	A	232	PRO	0	0.066	0.039	67.957	0.000	0.000	0.000	0.000	0.000	0.000
230	A	233	GLU	-1	-0.761	-0.871	68.777	0.009	0.009	0.000	0.000	0.000	0.000
231	A	234	THR	0	-0.055	-0.035	71.796	0.000	0.000	0.000	0.000	0.000	0.000
232	A	235	VAL	0	0.062	0.026	74.281	0.000	0.000	0.000	0.000	0.000	0.000
233	A	236	TYR	0	-0.057	-0.039	76.798	0.000	0.000	0.000	0.000	0.000	0.000
234	A	237	GLY	0	0.020	0.000	78.620	0.000	0.000	0.000	0.000	0.000	0.000
235	A	238	VAL	0	-0.060	-0.007	78.626	0.000	0.000	0.000	0.000	0.000	0.000
236	A	239	THR	0	0.014	0.012	79.946	0.000	0.000	0.000	0.000	0.000	0.000
237	A	240	ASN	0	-0.018	-0.016	79.564	0.000	0.000	0.000	0.000	0.000	0.000
238	A	241	MET	0	0.008	0.014	77.870	0.000	0.000	0.000	0.000	0.000	0.000
239	A	242	TRP	0	0.004	0.013	75.055	0.000	0.000	0.000	0.000	0.000	0.000
240	A	243	VAL	0	0.006	-0.001	75.845	0.000	0.000	0.000	0.000	0.000	0.000
241	A	244	ASN	0	0.035	-0.001	71.911	-0.001	-0.001	0.000	0.000	0.000	0.000
242	A	245	PRO	0	-0.033	-0.027	75.546	0.000	0.000	0.000	0.000	0.000	0.000
243	A	246	ASN	0	-0.065	-0.019	73.202	0.000	0.000	0.000	0.000	0.000	0.000
244	A	247	ALA	0	0.022	0.025	72.496	0.000	0.000	0.000	0.000	0.000	0.000
245	A	248	THR	0	-0.045	-0.020	73.720	0.000	0.000	0.000	0.000	0.000	0.000
246	A	249	TYR	0	-0.015	-0.025	73.775	0.000	0.000	0.000	0.000	0.000	0.000
247	A	250	VAL	0	-0.054	-0.035	74.224	0.000	0.000	0.000	0.000	0.000	0.000
248	A	251	LYS	1	0.904	0.959	77.166	-0.006	-0.006	0.000	0.000	0.000	0.000
249	A	252	ALA	0	-0.002	-0.011	76.248	0.000	0.000	0.000	0.000	0.000	0.000
250	A	253	LYS	1	0.824	0.910	78.289	-0.008	-0.008	0.000	0.000	0.000	0.000
251	A	254	VAL	0	-0.012	-0.012	73.220	0.000	0.000	0.000	0.000	0.000	0.000
252	A	255	ARG	1	0.740	0.836	74.432	-0.009	-0.009	0.000	0.000	0.000	0.000
253	A	256	ARG	1	0.811	0.889	66.778	-0.012	-0.012	0.000	0.000	0.000	0.000
254	A	257	LYS	1	0.912	0.941	69.576	-0.015	-0.015	0.000	0.000	0.000	0.000
255	A	258	ASP	-1	-0.909	-0.950	73.413	0.011	0.011	0.000	0.000	0.000	0.000
256	A	259	LYS	1	0.886	0.946	77.152	-0.010	-0.010	0.000	0.000	0.000	0.000
257	A	260	GLU	-1	-0.795	-0.886	77.040	0.009	0.009	0.000	0.000	0.000	0.000
258	A	261	GLU	-1	-0.784	-0.855	77.574	0.009	0.009	0.000	0.000	0.000	0.000
259	A	262	THR	0	-0.029	-0.029	79.441	0.000	0.000	0.000	0.000	0.000	0.000
260	A	263	TRP	0	-0.065	-0.037	71.514	0.000	0.000	0.000	0.000	0.000	0.000
261	A	264	ILE	0	0.023	0.010	77.962	0.000	0.000	0.000	0.000	0.000	0.000
262	A	265	VAL	0	-0.009	-0.001	72.386	0.000	0.000	0.000	0.000	0.000	0.000
263	A	266	SER	0	0.058	0.017	70.444	0.000	0.000	0.000	0.000	0.000	0.000
264	A	267	LYS	1	0.835	0.910	71.053	-0.006	-0.006	0.000	0.000	0.000	0.000
265	A	268	GLU	-1	-0.830	-0.941	66.429	0.007	0.007	0.000	0.000	0.000	0.000
266	A	269	ALA	0	0.008	0.019	66.632	0.000	0.000	0.000	0.000	0.000	0.000
267	A	270	ALA	0	0.014	0.000	68.286	0.001	0.001	0.000	0.000	0.000	0.000
268	A	271	TYR	0	-0.019	-0.008	62.588	0.001	0.001	0.000	0.000	0.000	0.000
269	A	272	LYS	1	0.801	0.892	62.594	-0.008	-0.008	0.000	0.000	0.000	0.000
270	A	273	LEU	0	-0.007	-0.020	64.737	0.001	0.001	0.000	0.000	0.000	0.000
271	A	274	SER	0	0.026	0.027	67.177	0.000	0.000	0.000	0.000	0.000	0.000
272	A	275	PHE	0	-0.020	-0.004	61.733	0.001	0.001	0.000	0.000	0.000	0.000
273	A	276	GLN	0	-0.072	-0.062	62.247	0.001	0.001	0.000	0.000	0.000	0.000
274	A	277	ASP	-1	-0.855	-0.918	64.609	0.014	0.014	0.000	0.000	0.000	0.000
275	A	278	ARG	1	0.850	0.904	66.307	-0.012	-0.012	0.000	0.000	0.000	0.000
276	A	279	GLU	-1	-0.862	-0.893	69.888	0.010	0.010	0.000	0.000	0.000	0.000
277	A	280	ILE	0	0.004	-0.013	70.794	0.000	0.000	0.000	0.000	0.000	0.000
278	A	281	GLU	-1	-0.788	-0.833	73.470	0.008	0.008	0.000	0.000	0.000	0.000
279	A	282	VAL	0	0.001	-0.025	74.830	0.000	0.000	0.000	0.000	0.000	0.000
280	A	283	ILE	0	-0.050	-0.022	77.497	0.000	0.000	0.000	0.000	0.000	0.000
281	A	284	GLU	-1	-0.807	-0.886	80.434	0.005	0.005	0.000	0.000	0.000	0.000
282	A	285	GLU	-1	-0.791	-0.866	77.069	0.006	0.006	0.000	0.000	0.000	0.000
283	A	286	PHE	0	-0.044	-0.033	78.941	0.000	0.000	0.000	0.000	0.000	0.000
284	A	287	LYS	1	0.824	0.876	78.659	-0.004	-0.004	0.000	0.000	0.000	0.000
285	A	288	GLY	0	0.115	0.086	78.427	0.000	0.000	0.000	0.000	0.000	0.000
286	A	289	GLU	-1	-0.794	-0.909	79.058	0.004	0.004	0.000	0.000	0.000	0.000
287	A	290	LYS	1	0.802	0.890	82.483	-0.005	-0.005	0.000	0.000	0.000	0.000
288	A	291	LEU	0	-0.011	0.001	78.938	0.000	0.000	0.000	0.000	0.000	0.000
289	A	292	ILE	0	0.002	0.010	80.988	0.000	0.000	0.000	0.000	0.000	0.000
290	A	293	GLY	0	0.001	0.015	84.403	0.000	0.000	0.000	0.000	0.000	0.000
291	A	294	LYS	1	0.781	0.875	85.830	-0.005	-0.005	0.000	0.000	0.000	0.000
292	A	295	TYR	0	0.025	0.010	86.161	0.000	0.000	0.000	0.000	0.000	0.000
293	A	296	VAL	0	-0.027	-0.022	81.734	0.000	0.000	0.000	0.000	0.000	0.000
294	A	297	ARG	1	0.735	0.850	84.751	-0.007	-0.007	0.000	0.000	0.000	0.000
295	A	298	ASN	0	-0.006	-0.024	80.528	0.001	0.001	0.000	0.000	0.000	0.000
296	A	299	PRO	0	-0.028	-0.013	79.054	0.000	0.000	0.000	0.000	0.000	0.000
297	A	300	VAL	0	-0.065	-0.021	78.110	0.000	0.000	0.000	0.000	0.000	0.000
298	A	301	SER	0	-0.078	-0.068	80.624	0.000	0.000	0.000	0.000	0.000	0.000
299	A	302	GLY	0	-0.005	-0.007	83.975	0.000	0.000	0.000	0.000	0.000	0.000
300	A	303	ASP	-1	-0.814	-0.863	84.214	0.006	0.006	0.000	0.000	0.000	0.000
301	A	304	GLU	-1	-0.828	-0.911	85.911	0.006	0.006	0.000	0.000	0.000	0.000
302	A	305	VAL	0	-0.018	0.006	81.969	0.000	0.000	0.000	0.000	0.000	0.000
303	A	306	ILE	0	0.020	0.019	84.888	0.000	0.000	0.000	0.000	0.000	0.000
304	A	307	ILE	0	-0.024	-0.007	80.620	0.000	0.000	0.000	0.000	0.000	0.000
305	A	308	LEU	0	0.046	0.021	81.007	0.000	0.000	0.000	0.000	0.000	0.000
306	A	309	PRO	0	-0.007	-0.016	79.688	0.000	0.000	0.000	0.000	0.000	0.000
307	A	310	ALA	0	0.014	-0.001	75.086	0.000	0.000	0.000	0.000	0.000	0.000
308	A	311	GLU	-1	-0.841	-0.925	73.452	0.003	0.003	0.000	0.000	0.000	0.000
309	A	312	PHE	0	-0.005	-0.006	69.762	0.000	0.000	0.000	0.000	0.000	0.000
310	A	313	VAL	0	-0.008	0.007	69.209	0.000	0.000	0.000	0.000	0.000	0.000
311	A	314	ASP	-1	-0.808	-0.923	64.123	0.006	0.006	0.000	0.000	0.000	0.000
312	A	315	PRO	0	0.029	-0.001	67.859	0.000	0.000	0.000	0.000	0.000	0.000
313	A	316	ASP	-1	-0.820	-0.868	62.289	0.008	0.008	0.000	0.000	0.000	0.000
314	A	317	ASN	0	-0.019	0.000	63.794	0.001	0.001	0.000	0.000	0.000	0.000
315	A	318	ALA	0	0.030	0.003	64.530	0.000	0.000	0.000	0.000	0.000	0.000
316	A	319	THR	0	0.041	-0.021	66.329	0.000	0.000	0.000	0.000	0.000	0.000
317	A	320	GLY	0	0.015	0.036	69.293	0.000	0.000	0.000	0.000	0.000	0.000
318	A	321	VAL	0	-0.028	0.011	70.805	0.000	0.000	0.000	0.000	0.000	0.000
319	A	322	VAL	0	-0.005	-0.005	71.112	0.000	0.000	0.000	0.000	0.000	0.000
320	A	323	MET	0	0.022	0.012	73.776	0.000	0.000	0.000	0.000	0.000	0.000
321	A	324	SER	0	-0.069	-0.032	74.840	0.000	0.000	0.000	0.000	0.000	0.000
322	A	325	VAL	0	-0.022	-0.037	74.882	0.000	0.000	0.000	0.000	0.000	0.000
323	A	326	PRO	0	0.056	0.011	75.563	0.000	0.000	0.000	0.000	0.000	0.000
324	A	327	ALA	0	-0.002	0.028	76.375	0.000	0.000	0.000	0.000	0.000	0.000
325	A	328	HIS	0	-0.092	-0.051	72.393	0.000	0.000	0.000	0.000	0.000	0.000
326	A	329	ALA	0	0.022	0.018	70.703	0.000	0.000	0.000	0.000	0.000	0.000
327	A	330	PRO	0	0.003	0.000	68.800	0.000	0.000	0.000	0.000	0.000	0.000
328	A	331	PHE	0	0.037	-0.003	66.509	0.000	0.000	0.000	0.000	0.000	0.000
329	A	332	ASP	-1	-0.821	-0.893	71.464	0.005	0.005	0.000	0.000	0.000	0.000
330	A	333	HIS	0	0.042	0.009	74.899	0.000	0.000	0.000	0.000	0.000	0.000
331	A	334	VAL	0	-0.079	-0.026	72.013	0.000	0.000	0.000	0.000	0.000	0.000
332	A	335	ALA	0	-0.052	-0.032	75.450	0.000	0.000	0.000	0.000	0.000	0.000
333	A	336	LEU	0	0.014	0.025	78.026	0.000	0.000	0.000	0.000	0.000	0.000
334	A	337	GLU	-1	-0.887	-0.910	78.675	0.002	0.002	0.000	0.000	0.000	0.000
335	A	338	ASP	-1	-0.816	-0.894	80.728	0.002	0.002	0.000	0.000	0.000	0.000
336	A	339	LEU	0	-0.042	-0.038	80.838	0.000	0.000	0.000	0.000	0.000	0.000
337	A	340	LYN	0	-0.056	-0.012	81.565	0.000	0.000	0.000	0.000	0.000	0.000
338	A	341	ARG	1	0.937	0.947	85.104	-0.001	-0.001	0.000	0.000	0.000	0.000
339	A	342	GLU	-1	-0.936	-0.967	85.063	0.002	0.002	0.000	0.000	0.000	0.000
340	A	343	THR	0	-0.068	-0.069	87.119	0.000	0.000	0.000	0.000	0.000	0.000
341	A	344	GLU	-1	-0.914	-0.916	89.446	0.003	0.003	0.000	0.000	0.000	0.000
342	A	345	ILE	0	-0.007	-0.005	89.758	0.000	0.000	0.000	0.000	0.000	0.000
343	A	346	LEU	0	-0.079	-0.028	90.891	0.000	0.000	0.000	0.000	0.000	0.000
344	A	347	GLU	-1	-0.774	-0.899	87.178	0.003	0.003	0.000	0.000	0.000	0.000
345	A	348	LYS	1	0.813	0.894	85.988	-0.002	-0.002	0.000	0.000	0.000	0.000
346	A	349	TYR	0	-0.153	-0.090	88.318	0.000	0.000	0.000	0.000	0.000	0.000
347	A	350	ASP	-1	-0.881	-0.927	84.645	0.004	0.004	0.000	0.000	0.000	0.000
348	A	351	ILE	0	-0.058	-0.036	86.541	0.000	0.000	0.000	0.000	0.000	0.000
349	A	352	ASP	-1	-0.798	-0.907	80.852	0.005	0.005	0.000	0.000	0.000	0.000
350	A	353	PRO	0	-0.085	-0.028	82.386	0.000	0.000	0.000	0.000	0.000	0.000
351	A	354	ARG	1	0.857	0.897	77.113	-0.006	-0.006	0.000	0.000	0.000	0.000
352	A	355	ILE	0	0.037	0.027	74.831	0.000	0.000	0.000	0.000	0.000	0.000
353	A	356	VAL	0	-0.087	-0.038	71.956	0.000	0.000	0.000	0.000	0.000	0.000
354	A	373	PHE	0	-0.005	-0.017	68.240	0.000	0.000	0.000	0.000	0.000	0.000
355	A	374	PRO	0	-0.009	-0.009	72.982	0.000	0.000	0.000	0.000	0.000	0.000
356	A	375	ALA	0	0.007	0.015	76.183	0.000	0.000	0.000	0.000	0.000	0.000
357	A	376	VAL	0	0.032	0.029	77.619	0.000	0.000	0.000	0.000	0.000	0.000
358	A	377	GLU	-1	-0.762	-0.876	71.842	0.004	0.004	0.000	0.000	0.000	0.000
359	A	378	GLU	-1	-0.701	-0.854	74.957	0.003	0.003	0.000	0.000	0.000	0.000
360	A	379	VAL	0	-0.061	-0.039	73.933	0.000	0.000	0.000	0.000	0.000	0.000
361	A	380	ASN	0	-0.101	-0.064	69.714	0.000	0.000	0.000	0.000	0.000	0.000
362	A	381	LYS	1	0.801	0.902	71.030	-0.003	-0.003	0.000	0.000	0.000	0.000
363	A	382	LEU	0	-0.026	-0.007	72.700	0.000	0.000	0.000	0.000	0.000	0.000
364	A	383	GLY	0	-0.036	0.003	72.390	0.000	0.000	0.000	0.000	0.000	0.000
365	A	384	ILE	0	-0.019	-0.011	66.634	0.000	0.000	0.000	0.000	0.000	0.000
366	A	385	LYS	1	0.928	0.967	69.825	0.000	0.000	0.000	0.000	0.000	0.000
367	A	386	SER	0	-0.015	-0.013	71.080	0.000	0.000	0.000	0.000	0.000	0.000
368	A	387	GLN	0	-0.091	-0.051	72.146	0.000	0.000	0.000	0.000	0.000	0.000
369	A	388	LYS	1	0.873	0.942	74.513	-0.002	-0.002	0.000	0.000	0.000	0.000
370	A	389	ASP	-1	-0.774	-0.892	71.181	0.003	0.003	0.000	0.000	0.000	0.000
371	A	390	LYS	1	0.842	0.897	67.893	-0.002	-0.002	0.000	0.000	0.000	0.000
372	A	391	GLU	-1	-0.659	-0.804	62.377	0.002	0.002	0.000	0.000	0.000	0.000
373	A	392	LYS	1	0.778	0.877	62.106	-0.001	-0.001	0.000	0.000	0.000	0.000
374	A	393	LEU	0	0.037	0.034	64.464	0.000	0.000	0.000	0.000	0.000	0.000
375	A	394	GLU	-1	-0.932	-0.952	61.140	0.006	0.006	0.000	0.000	0.000	0.000
376	A	395	GLN	0	-0.057	-0.035	60.279	0.001	0.001	0.000	0.000	0.000	0.000
377	A	396	ALA	0	0.012	0.002	61.946	0.000	0.000	0.000	0.000	0.000	0.000
378	A	397	THR	0	0.015	-0.010	65.107	0.000	0.000	0.000	0.000	0.000	0.000
379	A	398	LYS	1	0.925	0.955	60.495	-0.008	-0.008	0.000	0.000	0.000	0.000
380	A	399	THR	0	-0.042	-0.012	62.502	0.000	0.000	0.000	0.000	0.000	0.000
381	A	400	ILE	0	0.008	0.008	63.494	0.000	0.000	0.000	0.000	0.000	0.000
382	A	401	TYR	0	-0.038	-0.014	61.611	0.000	0.000	0.000	0.000	0.000	0.000
383	A	402	LYS	1	0.868	0.920	58.623	-0.009	-0.009	0.000	0.000	0.000	0.000
384	A	403	ALA	0	0.038	0.030	63.425	0.000	0.000	0.000	0.000	0.000	0.000
385	A	404	GLU	-1	-0.799	-0.892	66.049	0.007	0.007	0.000	0.000	0.000	0.000
386	A	405	TYR	0	-0.021	-0.027	61.912	0.000	0.000	0.000	0.000	0.000	0.000
387	A	406	HIS	0	0.038	0.003	60.209	0.000	0.000	0.000	0.000	0.000	0.000
388	A	407	LYS	1	0.822	0.895	64.882	-0.007	-0.007	0.000	0.000	0.000	0.000
389	A	408	GLY	0	0.025	0.031	68.066	0.000	0.000	0.000	0.000	0.000	0.000
390	A	409	ILE	0	-0.038	-0.019	70.559	0.000	0.000	0.000	0.000	0.000	0.000
391	A	410	PHE	0	0.021	0.013	73.556	0.000	0.000	0.000	0.000	0.000	0.000
392	A	411	LYS	1	0.892	0.947	75.230	-0.006	-0.006	0.000	0.000	0.000	0.000
393	A	412	VAL	0	0.027	0.020	78.523	0.000	0.000	0.000	0.000	0.000	0.000
394	A	413	PRO	0	0.034	0.009	81.088	0.000	0.000	0.000	0.000	0.000	0.000
395	A	414	PRO	0	0.005	0.010	79.940	0.000	0.000	0.000	0.000	0.000	0.000
396	A	415	TYR	0	0.048	0.025	75.944	0.000	0.000	0.000	0.000	0.000	0.000
397	A	416	GLU	-1	-0.865	-0.937	77.797	0.007	0.007	0.000	0.000	0.000	0.000
398	A	417	GLY	0	-0.050	-0.032	76.902	0.000	0.000	0.000	0.000	0.000	0.000
399	A	418	LYS	1	0.905	0.968	72.410	-0.010	-0.010	0.000	0.000	0.000	0.000
400	A	419	PRO	0	0.038	0.028	68.125	0.000	0.000	0.000	0.000	0.000	0.000
401	A	420	VAL	0	0.017	0.003	67.627	0.000	0.000	0.000	0.000	0.000	0.000
402	A	421	GLN	0	-0.033	-0.025	62.367	0.000	0.000	0.000	0.000	0.000	0.000
403	A	422	GLU	-1	-0.886	-0.935	66.467	0.012	0.012	0.000	0.000	0.000	0.000
404	A	423	VAL	0	-0.005	-0.003	69.063	0.000	0.000	0.000	0.000	0.000	0.000
405	A	424	LYS	1	0.827	0.908	64.513	-0.010	-0.010	0.000	0.000	0.000	0.000
406	A	425	GLU	-1	-0.883	-0.938	65.506	0.014	0.014	0.000	0.000	0.000	0.000
407	A	426	ALA	0	-0.041	-0.016	68.294	0.000	0.000	0.000	0.000	0.000	0.000
408	A	427	ILE	0	0.020	0.011	72.000	0.000	0.000	0.000	0.000	0.000	0.000
409	A	428	ALA	0	0.018	0.014	68.541	0.000	0.000	0.000	0.000	0.000	0.000
410	A	429	LYS	1	0.914	0.953	69.456	-0.013	-0.013	0.000	0.000	0.000	0.000
411	A	430	GLU	-1	-0.859	-0.916	70.979	0.010	0.010	0.000	0.000	0.000	0.000
412	A	431	MET	0	-0.025	-0.018	73.261	0.000	0.000	0.000	0.000	0.000	0.000
413	A	432	LEU	0	-0.032	-0.013	68.930	0.000	0.000	0.000	0.000	0.000	0.000
414	A	433	GLU	-1	-0.915	-0.957	71.534	0.013	0.013	0.000	0.000	0.000	0.000
415	A	434	LYS	1	0.788	0.901	74.307	-0.010	-0.010	0.000	0.000	0.000	0.000
416	A	435	GLY	0	-0.017	-0.010	75.161	0.000	0.000	0.000	0.000	0.000	0.000
417	A	436	ILE	0	-0.043	-0.014	76.222	0.000	0.000	0.000	0.000	0.000	0.000
418	A	437	ALA	0	0.005	-0.004	72.259	0.000	0.000	0.000	0.000	0.000	0.000
419	A	438	GLU	-1	-0.795	-0.884	69.929	0.011	0.011	0.000	0.000	0.000	0.000
420	A	439	ILE	0	0.022	0.014	63.800	0.000	0.000	0.000	0.000	0.000	0.000
421	A	440	MET	0	-0.029	0.015	65.282	0.000	0.000	0.000	0.000	0.000	0.000
422	A	441	TYR	0	-0.007	0.002	60.052	0.000	0.000	0.000	0.000	0.000	0.000
423	A	442	GLU	-1	-0.825	-0.918	60.342	0.010	0.010	0.000	0.000	0.000	0.000
424	A	443	PHE	0	-0.001	-0.008	54.263	0.001	0.001	0.000	0.000	0.000	0.000
425	A	444	ALA	0	-0.023	-0.019	55.503	-0.001	-0.001	0.000	0.000	0.000	0.000
426	A	445	GLU	-1	-0.830	-0.918	55.521	0.006	0.006	0.000	0.000	0.000	0.000
427	A	446	LYS	1	0.845	0.926	56.601	-0.006	-0.006	0.000	0.000	0.000	0.000
428	A	447	ASN	0	-0.062	-0.010	51.809	0.000	0.000	0.000	0.000	0.000	0.000
429	A	448	VAL	0	0.034	0.020	52.088	0.001	0.001	0.000	0.000	0.000	0.000
430	A	449	ILE	0	-0.006	0.008	51.144	0.000	0.000	0.000	0.000	0.000	0.000
431	A	450	SER	0	-0.024	-0.052	50.317	0.001	0.001	0.000	0.000	0.000	0.000
432	A	451	ARG	1	0.908	0.947	42.566	-0.016	-0.016	0.000	0.000	0.000	0.000
433	A	452	PHE	0	-0.063	-0.028	48.510	-0.001	-0.001	0.000	0.000	0.000	0.000
434	A	453	GLY	0	0.036	0.016	51.385	-0.001	-0.001	0.000	0.000	0.000	0.000
435	A	454	ASN	0	-0.058	-0.013	52.946	-0.001	-0.001	0.000	0.000	0.000	0.000
436	A	455	ARG	1	0.816	0.897	54.571	-0.008	-0.008	0.000	0.000	0.000	0.000
437	A	456	ALA	0	-0.007	-0.006	53.610	0.000	0.000	0.000	0.000	0.000	0.000
438	A	457	VAL	0	-0.010	-0.010	55.767	-0.001	-0.001	0.000	0.000	0.000	0.000
439	A	458	ILE	0	-0.002	0.004	56.730	0.001	0.001	0.000	0.000	0.000	0.000
440	A	459	LYS	1	0.893	0.966	58.029	-0.016	-0.016	0.000	0.000	0.000	0.000
441	A	460	ILE	0	-0.019	-0.002	58.780	0.001	0.001	0.000	0.000	0.000	0.000
442	A	461	ILE	0	-0.083	-0.043	57.215	0.000	0.000	0.000	0.000	0.000	0.000
443	A	462	HIS	0	0.031	0.000	60.610	0.001	0.001	0.000	0.000	0.000	0.000
444	A	463	ASP	-1	-0.834	-0.920	60.806	0.019	0.019	0.000	0.000	0.000	0.000
445	A	464	GLN	0	-0.060	-0.027	53.666	0.001	0.001	0.000	0.000	0.000	0.000
446	A	465	TRP	0	-0.005	-0.017	55.348	0.000	0.000	0.000	0.000	0.000	0.000
447	A	466	PHE	0	-0.008	-0.012	54.307	0.001	0.001	0.000	0.000	0.000	0.000
448	A	467	ILE	0	0.045	0.019	49.961	0.000	0.000	0.000	0.000	0.000	0.000
449	A	468	ASP	-1	-0.786	-0.902	53.576	0.024	0.024	0.000	0.000	0.000	0.000
450	A	469	TYR	0	-0.050	-0.043	48.448	0.000	0.000	0.000	0.000	0.000	0.000
451	A	470	GLY	0	0.054	0.040	53.457	0.000	0.000	0.000	0.000	0.000	0.000
452	A	471	ASN	0	-0.030	-0.024	56.583	-0.001	-0.001	0.000	0.000	0.000	0.000
453	A	472	PRO	0	0.045	0.009	57.361	0.001	0.001	0.000	0.000	0.000	0.000
454	A	473	GLU	-1	-0.817	-0.884	58.173	0.027	0.027	0.000	0.000	0.000	0.000
455	A	474	TRP	0	-0.060	-0.033	51.103	0.001	0.001	0.000	0.000	0.000	0.000
456	A	475	LYS	1	0.768	0.869	53.083	-0.025	-0.025	0.000	0.000	0.000	0.000
457	A	476	GLU	-1	-0.849	-0.912	53.473	0.029	0.029	0.000	0.000	0.000	0.000
458	A	477	LYS	1	0.852	0.934	53.362	-0.033	-0.033	0.000	0.000	0.000	0.000
459	A	478	ALA	0	0.029	0.014	49.590	0.002	0.002	0.000	0.000	0.000	0.000
460	A	479	ARG	1	0.840	0.897	49.480	-0.025	-0.025	0.000	0.000	0.000	0.000
461	A	480	LYS	1	0.840	0.915	50.371	-0.031	-0.031	0.000	0.000	0.000	0.000
462	A	481	ALA	0	0.012	-0.007	47.564	0.001	0.001	0.000	0.000	0.000	0.000
463	A	482	LEU	0	-0.022	-0.009	45.181	0.002	0.002	0.000	0.000	0.000	0.000
464	A	483	GLU	-1	-0.820	-0.900	45.748	0.035	0.035	0.000	0.000	0.000	0.000
465	A	484	ARG	1	0.801	0.894	47.015	-0.035	-0.035	0.000	0.000	0.000	0.000
466	A	485	MET	0	-0.054	0.003	41.946	0.004	0.004	0.000	0.000	0.000	0.000
467	A	486	LYS	1	0.951	0.982	36.585	-0.068	-0.068	0.000	0.000	0.000	0.000
468	A	487	ILE	0	-0.009	-0.003	38.246	0.003	0.003	0.000	0.000	0.000	0.000
469	A	488	LEU	0	-0.047	0.011	32.621	-0.001	-0.001	0.000	0.000	0.000	0.000
470	A	489	PRO	0	0.039	0.001	33.597	0.003	0.003	0.000	0.000	0.000	0.000
471	A	490	GLU	-1	-0.677	-0.841	35.636	0.045	0.045	0.000	0.000	0.000	0.000
472	A	491	THR	0	-0.023	-0.019	37.790	-0.002	-0.002	0.000	0.000	0.000	0.000
473	A	492	ARG	1	0.768	0.860	36.421	-0.043	-0.043	0.000	0.000	0.000	0.000
474	A	493	ARG	1	0.772	0.893	40.646	-0.043	-0.043	0.000	0.000	0.000	0.000
475	A	494	ALA	0	0.105	0.048	43.527	-0.001	-0.001	0.000	0.000	0.000	0.000
476	A	495	GLN	0	-0.024	-0.006	40.615	0.000	0.000	0.000	0.000	0.000	0.000
477	A	496	PHE	0	0.051	0.002	39.193	0.000	0.000	0.000	0.000	0.000	0.000
478	A	497	GLU	-1	-0.868	-0.943	44.612	0.032	0.032	0.000	0.000	0.000	0.000
479	A	498	ALA	0	0.017	0.006	47.737	-0.001	-0.001	0.000	0.000	0.000	0.000
480	A	499	ILE	0	-0.058	-0.026	44.851	-0.001	-0.001	0.000	0.000	0.000	0.000
481	A	500	ILE	0	-0.008	0.002	47.536	0.000	0.000	0.000	0.000	0.000	0.000
482	A	501	ASP	-1	-0.839	-0.897	49.766	0.025	0.025	0.000	0.000	0.000	0.000
483	A	502	TRP	0	-0.069	-0.037	50.841	-0.001	-0.001	0.000	0.000	0.000	0.000
484	A	503	LEU	0	-0.036	-0.009	48.539	0.000	0.000	0.000	0.000	0.000	0.000
485	A	504	ASP	-1	-0.754	-0.868	51.907	0.022	0.022	0.000	0.000	0.000	0.000
486	A	505	LYS	1	0.744	0.841	52.836	-0.021	-0.021	0.000	0.000	0.000	0.000
487	A	506	LYS	1	0.825	0.924	46.725	-0.034	-0.034	0.000	0.000	0.000	0.000
488	A	507	ALA	0	0.017	0.005	51.569	0.001	0.001	0.000	0.000	0.000	0.000
489	A	508	CYS	0	-0.028	0.009	49.861	0.001	0.001	0.000	0.000	0.000	0.000
490	A	509	ALA	0	0.008	0.005	50.326	0.001	0.001	0.000	0.000	0.000	0.000
491	A	510	ARG	1	0.845	0.914	47.888	-0.027	-0.027	0.000	0.000	0.000	0.000
492	A	511	LYS	1	0.893	0.935	51.245	-0.022	-0.022	0.000	0.000	0.000	0.000
493	A	512	ILE	0	0.026	0.023	47.930	0.000	0.000	0.000	0.000	0.000	0.000
494	A	513	GLY	0	0.008	-0.008	45.421	0.001	0.001	0.000	0.000	0.000	0.000
495	A	514	LEU	0	-0.004	0.015	42.559	-0.001	-0.001	0.000	0.000	0.000	0.000
496	A	515	GLY	0	0.042	-0.016	44.749	0.001	0.001	0.000	0.000	0.000	0.000
497	A	516	THR	0	-0.015	-0.007	45.914	0.001	0.001	0.000	0.000	0.000	0.000
498	A	517	PRO	0	0.019	0.002	48.415	0.000	0.000	0.000	0.000	0.000	0.000
499	A	518	LEU	0	0.031	0.024	52.128	0.001	0.001	0.000	0.000	0.000	0.000
500	A	519	PRO	0	-0.016	0.005	53.557	-0.001	-0.001	0.000	0.000	0.000	0.000
501	A	520	TRP	0	-0.009	-0.017	55.095	-0.001	-0.001	0.000	0.000	0.000	0.000
502	A	521	ASP	-1	-0.827	-0.919	58.034	0.021	0.021	0.000	0.000	0.000	0.000
503	A	522	PRO	0	0.033	0.005	56.145	0.000	0.000	0.000	0.000	0.000	0.000
504	A	523	GLU	-1	-0.876	-0.908	55.716	0.021	0.021	0.000	0.000	0.000	0.000
505	A	524	TRP	0	-0.050	-0.017	53.944	0.000	0.000	0.000	0.000	0.000	0.000
506	A	525	VAL	0	-0.015	0.008	48.026	0.001	0.001	0.000	0.000	0.000	0.000
507	A	526	ILE	0	0.012	0.007	46.963	0.000	0.000	0.000	0.000	0.000	0.000
508	A	527	GLU	-1	-0.811	-0.892	45.700	0.036	0.036	0.000	0.000	0.000	0.000
509	A	528	SER	0	0.082	0.032	40.680	0.000	0.000	0.000	0.000	0.000	0.000
510	A	529	LEU	0	-0.044	-0.009	40.687	0.003	0.003	0.000	0.000	0.000	0.000
511	A	530	SER	0	0.007	-0.008	43.186	0.000	0.000	0.000	0.000	0.000	0.000
512	A	531	ASP	-1	-0.764	-0.875	42.429	0.051	0.051	0.000	0.000	0.000	0.000
513	A	532	SER	0	-0.068	-0.046	39.325	0.002	0.002	0.000	0.000	0.000	0.000
514	A	533	THR	0	0.011	-0.009	40.490	0.003	0.003	0.000	0.000	0.000	0.000
515	A	534	ILE	0	0.056	0.009	42.797	0.002	0.002	0.000	0.000	0.000	0.000
516	A	535	TYR	0	0.022	0.031	34.709	-0.001	-0.001	0.000	0.000	0.000	0.000
517	A	536	MET	0	-0.031	-0.007	38.028	0.004	0.004	0.000	0.000	0.000	0.000
518	A	537	ALA	0	0.047	0.050	39.313	0.003	0.003	0.000	0.000	0.000	0.000
519	A	538	TYR	0	0.040	0.020	39.995	0.000	0.000	0.000	0.000	0.000	0.000
520	A	539	TYR	0	0.001	-0.022	32.569	-0.001	-0.001	0.000	0.000	0.000	0.000
521	A	540	THR	0	-0.002	0.009	38.283	0.003	0.003	0.000	0.000	0.000	0.000
522	A	541	ILE	0	0.062	0.046	39.941	0.001	0.001	0.000	0.000	0.000	0.000
523	A	542	SER	0	-0.017	-0.001	37.748	-0.001	-0.001	0.000	0.000	0.000	0.000
524	A	543	ARG	1	0.842	0.911	33.547	-0.099	-0.099	0.000	0.000	0.000	0.000
525	A	544	HIS	0	-0.018	-0.030	38.307	0.000	0.000	0.000	0.000	0.000	0.000
526	A	545	ILE	0	-0.011	-0.009	41.913	-0.003	-0.003	0.000	0.000	0.000	0.000
527	A	546	ASN	0	-0.038	-0.041	36.580	-0.007	-0.007	0.000	0.000	0.000	0.000
528	A	547	LYS	1	0.817	0.894	40.094	-0.063	-0.063	0.000	0.000	0.000	0.000
529	A	548	LEU	0	0.025	0.010	41.141	-0.002	-0.002	0.000	0.000	0.000	0.000
530	A	549	ARG	1	0.882	0.946	40.972	-0.059	-0.059	0.000	0.000	0.000	0.000
531	A	550	GLN	0	-0.068	-0.027	38.067	0.002	0.002	0.000	0.000	0.000	0.000
532	A	551	GLU	-1	-0.834	-0.898	41.727	0.058	0.058	0.000	0.000	0.000	0.000
533	A	552	GLY	0	-0.008	0.005	44.967	-0.002	-0.002	0.000	0.000	0.000	0.000
534	A	553	LYS	1	0.813	0.899	47.172	-0.045	-0.045	0.000	0.000	0.000	0.000
535	A	554	LEU	0	0.029	0.013	45.813	0.000	0.000	0.000	0.000	0.000	0.000
536	A	555	ASP	-1	-0.839	-0.913	49.136	0.035	0.035	0.000	0.000	0.000	0.000
537	A	556	PRO	0	-0.002	-0.031	48.492	0.000	0.000	0.000	0.000	0.000	0.000
538	A	557	GLU	-1	-0.826	-0.918	50.587	0.034	0.034	0.000	0.000	0.000	0.000
539	A	558	LYS	1	0.853	0.964	52.791	-0.033	-0.033	0.000	0.000	0.000	0.000
540	A	559	LEU	0	-0.043	0.004	47.834	0.000	0.000	0.000	0.000	0.000	0.000
541	A	560	THR	0	0.061	0.018	52.067	0.000	0.000	0.000	0.000	0.000	0.000
542	A	561	PRO	0	0.028	-0.013	53.936	0.001	0.001	0.000	0.000	0.000	0.000
543	A	562	GLU	-1	-0.766	-0.854	54.979	0.032	0.032	0.000	0.000	0.000	0.000
544	A	563	PHE	0	0.022	0.005	48.983	0.001	0.001	0.000	0.000	0.000	0.000
545	A	564	PHE	0	0.019	-0.012	47.186	0.002	0.002	0.000	0.000	0.000	0.000
546	A	565	ASP	-1	-0.744	-0.855	51.518	0.037	0.037	0.000	0.000	0.000	0.000
547	A	566	TYR	0	-0.014	-0.019	52.692	0.000	0.000	0.000	0.000	0.000	0.000
548	A	567	ILE	0	-0.041	-0.021	47.411	0.001	0.001	0.000	0.000	0.000	0.000
549	A	568	PHE	0	-0.017	-0.016	45.266	0.003	0.003	0.000	0.000	0.000	0.000
550	A	569	LEU	0	-0.065	-0.031	50.087	0.000	0.000	0.000	0.000	0.000	0.000
551	A	570	GLU	-1	-0.850	-0.928	53.570	0.033	0.033	0.000	0.000	0.000	0.000
552	A	571	GLU	-1	-0.828	-0.905	54.317	0.041	0.041	0.000	0.000	0.000	0.000
553	A	572	PHE	0	-0.027	-0.026	49.018	-0.001	-0.001	0.000	0.000	0.000	0.000
554	A	573	SER	0	-0.017	-0.011	55.093	-0.002	-0.002	0.000	0.000	0.000	0.000
555	A	574	GLU	-1	-0.919	-0.955	56.909	0.036	0.036	0.000	0.000	0.000	0.000
556	A	575	ASP	-1	-0.906	-0.953	57.949	0.031	0.031	0.000	0.000	0.000	0.000
557	A	576	LYS	1	0.825	0.898	57.679	-0.032	-0.032	0.000	0.000	0.000	0.000
558	A	577	GLU	-1	-0.741	-0.826	53.002	0.043	0.043	0.000	0.000	0.000	0.000
559	A	578	LYS	1	0.870	0.907	55.726	-0.037	-0.037	0.000	0.000	0.000	0.000
560	A	579	GLU	-1	-0.853	-0.881	58.542	0.030	0.030	0.000	0.000	0.000	0.000
561	A	580	LEU	0	0.024	-0.010	54.383	0.000	0.000	0.000	0.000	0.000	0.000
562	A	581	GLU	-1	-0.759	-0.837	55.036	0.036	0.036	0.000	0.000	0.000	0.000
563	A	582	LYS	1	0.776	0.872	56.096	-0.032	-0.032	0.000	0.000	0.000	0.000
564	A	583	LYS	1	0.767	0.865	58.122	-0.031	-0.031	0.000	0.000	0.000	0.000
565	A	584	THR	0	-0.046	-0.052	53.158	0.000	0.000	0.000	0.000	0.000	0.000
566	A	585	GLY	0	-0.004	0.012	54.027	0.000	0.000	0.000	0.000	0.000	0.000
567	A	586	ILE	0	-0.040	-0.024	49.280	0.002	0.002	0.000	0.000	0.000	0.000
568	A	587	PRO	0	0.005	0.005	50.197	-0.001	-0.001	0.000	0.000	0.000	0.000
569	A	588	ALA	0	0.042	0.023	51.381	0.002	0.002	0.000	0.000	0.000	0.000
570	A	589	GLU	-1	-0.828	-0.925	50.234	0.043	0.043	0.000	0.000	0.000	0.000
571	A	590	ILE	0	-0.012	-0.008	45.594	0.002	0.002	0.000	0.000	0.000	0.000
572	A	591	ILE	0	-0.005	-0.009	47.341	0.002	0.002	0.000	0.000	0.000	0.000
573	A	592	HIS	1	0.796	0.882	48.911	-0.046	-0.046	0.000	0.000	0.000	0.000
574	A	593	GLU	-1	-0.846	-0.907	42.693	0.066	0.066	0.000	0.000	0.000	0.000
575	A	594	MET	0	-0.071	-0.033	44.312	0.002	0.002	0.000	0.000	0.000	0.000
576	A	595	LYS	1	0.814	0.915	44.995	-0.042	-0.042	0.000	0.000	0.000	0.000
577	A	596	GLU	-1	-0.894	-0.929	45.608	0.054	0.054	0.000	0.000	0.000	0.000
578	A	597	GLU	-1	-0.738	-0.870	39.210	0.083	0.083	0.000	0.000	0.000	0.000
579	A	598	PHE	0	-0.012	0.004	42.134	0.002	0.002	0.000	0.000	0.000	0.000
580	A	599	GLU	-1	-0.793	-0.864	43.882	0.049	0.049	0.000	0.000	0.000	0.000
581	A	600	TYR	0	-0.060	-0.035	38.001	0.001	0.001	0.000	0.000	0.000	0.000
582	A	601	TRP	0	-0.029	-0.043	35.127	0.003	0.003	0.000	0.000	0.000	0.000
583	A	602	TYR	0	-0.047	-0.021	39.962	0.003	0.003	0.000	0.000	0.000	0.000
584	A	603	PRO	0	-0.011	-0.012	42.618	-0.001	-0.001	0.000	0.000	0.000	0.000
585	A	604	LEU	0	-0.025	-0.010	35.915	0.003	0.003	0.000	0.000	0.000	0.000
586	A	605	ASP	-1	-0.809	-0.877	35.919	0.075	0.075	0.000	0.000	0.000	0.000
587	A	606	TRP	0	0.031	0.004	33.652	-0.003	-0.003	0.000	0.000	0.000	0.000
588	A	607	ARG	1	0.865	0.917	34.782	-0.071	-0.071	0.000	0.000	0.000	0.000
589	A	608	CYS	0	0.019	0.023	29.989	-0.001	-0.001	0.000	0.000	0.000	0.000
590	A	609	SER	0	-0.003	-0.032	31.933	-0.001	-0.001	0.000	0.000	0.000	0.000
591	A	610	GLY	0	0.029	0.037	31.445	0.001	0.001	0.000	0.000	0.000	0.000
592	A	611	LYS	1	0.828	0.894	32.241	-0.046	-0.046	0.000	0.000	0.000	0.000
593	A	612	ASP	-1	-0.874	-0.949	34.034	0.050	0.050	0.000	0.000	0.000	0.000
594	A	613	LEU	0	0.005	0.003	35.298	-0.003	-0.003	0.000	0.000	0.000	0.000
595	A	614	ILE	0	0.006	0.020	37.412	0.000	0.000	0.000	0.000	0.000	0.000
596	A	615	PRO	0	-0.028	-0.010	40.228	-0.001	-0.001	0.000	0.000	0.000	0.000
597	A	616	ASN	0	0.006	0.005	40.161	0.000	0.000	0.000	0.000	0.000	0.000
598	A	617	HIS	0	0.046	0.034	37.835	0.004	0.004	0.000	0.000	0.000	0.000
599	A	618	LEU	0	-0.015	-0.014	36.323	0.001	0.001	0.000	0.000	0.000	0.000
600	A	619	THR	0	0.038	0.009	40.447	0.000	0.000	0.000	0.000	0.000	0.000
601	A	620	PHE	0	-0.009	-0.014	44.193	-0.001	-0.001	0.000	0.000	0.000	0.000
602	A	621	PHE	0	-0.021	0.004	39.752	0.000	0.000	0.000	0.000	0.000	0.000
603	A	622	ILE	0	0.015	0.022	43.400	0.000	0.000	0.000	0.000	0.000	0.000
604	A	623	PHE	0	0.033	0.013	45.517	-0.001	-0.001	0.000	0.000	0.000	0.000
605	A	624	ASN	0	0.044	0.012	46.533	-0.002	-0.002	0.000	0.000	0.000	0.000
606	A	625	HIS	0	-0.016	-0.005	42.281	0.002	0.002	0.000	0.000	0.000	0.000
607	A	626	VAL	0	-0.052	-0.030	47.298	0.000	0.000	0.000	0.000	0.000	0.000
608	A	627	ALA	0	-0.050	-0.018	50.435	-0.002	-0.002	0.000	0.000	0.000	0.000
609	A	628	ILE	0	-0.032	0.001	49.669	-0.001	-0.001	0.000	0.000	0.000	0.000
610	A	629	PHE	0	0.034	0.016	45.848	0.001	0.001	0.000	0.000	0.000	0.000
611	A	630	ARG	1	0.821	0.882	50.336	-0.044	-0.044	0.000	0.000	0.000	0.000
612	A	631	GLU	-1	-0.820	-0.904	50.905	0.033	0.033	0.000	0.000	0.000	0.000
613	A	632	GLU	-1	-0.925	-0.961	49.335	0.047	0.047	0.000	0.000	0.000	0.000
614	A	633	HIS	1	0.801	0.871	46.316	-0.047	-0.047	0.000	0.000	0.000	0.000
615	A	634	TRP	0	-0.002	0.018	45.608	0.002	0.002	0.000	0.000	0.000	0.000
616	A	635	PRO	0	0.004	-0.001	40.894	0.002	0.002	0.000	0.000	0.000	0.000
617	A	636	LYS	1	0.837	0.910	40.297	-0.057	-0.057	0.000	0.000	0.000	0.000
618	A	637	GLY	0	0.032	0.016	38.395	-0.002	-0.002	0.000	0.000	0.000	0.000
619	A	638	ILE	0	-0.030	-0.006	36.636	0.003	0.003	0.000	0.000	0.000	0.000
620	A	639	ALA	0	-0.004	-0.001	31.960	-0.002	-0.002	0.000	0.000	0.000	0.000
621	A	640	VAL	0	-0.025	-0.015	32.479	0.002	0.002	0.000	0.000	0.000	0.000
622	A	641	ASN	0	-0.031	-0.026	27.904	0.004	0.004	0.000	0.000	0.000	0.000
623	A	642	GLY	0	0.016	0.012	29.434	-0.004	-0.004	0.000	0.000	0.000	0.000
624	A	643	PHE	0	-0.083	-0.054	28.153	0.008	0.008	0.000	0.000	0.000	0.000
625	A	644	GLY	0	0.054	0.031	24.749	0.002	0.002	0.000	0.000	0.000	0.000
626	A	645	THR	0	-0.132	-0.102	25.026	-0.002	-0.002	0.000	0.000	0.000	0.000
627	A	646	LEU	0	0.008	-0.005	19.633	0.007	0.007	0.000	0.000	0.000	0.000
628	A	647	GLU	-1	-0.805	-0.897	18.694	-0.041	-0.041	0.000	0.000	0.000	0.000
629	A	648	GLY	0	0.027	0.016	22.755	-0.004	-0.004	0.000	0.000	0.000	0.000
630	A	649	GLN	0	-0.048	-0.030	26.064	0.005	0.005	0.000	0.000	0.000	0.000
631	A	650	LYS	1	0.916	0.958	26.553	-0.033	-0.033	0.000	0.000	0.000	0.000
632	A	651	MET	0	-0.018	0.029	23.620	-0.003	-0.003	0.000	0.000	0.000	0.000
633	A	652	SER	0	0.010	-0.013	27.331	0.002	0.002	0.000	0.000	0.000	0.000
634	A	653	LYS	1	0.970	0.989	29.603	-0.042	-0.042	0.000	0.000	0.000	0.000
635	A	654	SER	0	0.020	0.007	30.610	-0.002	-0.002	0.000	0.000	0.000	0.000
636	A	655	LYS	1	0.908	0.965	30.058	-0.011	-0.011	0.000	0.000	0.000	0.000
637	A	656	GLY	0	0.056	0.040	27.762	-0.004	-0.004	0.000	0.000	0.000	0.000
638	A	657	ASN	0	-0.040	-0.016	24.741	0.002	0.002	0.000	0.000	0.000	0.000
639	A	658	VAL	0	-0.013	-0.033	24.453	0.004	0.004	0.000	0.000	0.000	0.000
640	A	659	LEU	0	0.045	0.029	16.601	-0.002	-0.002	0.000	0.000	0.000	0.000
641	A	660	ASN	0	-0.010	-0.034	20.987	0.014	0.014	0.000	0.000	0.000	0.000
642	A	661	PHE	0	-0.010	-0.014	17.640	0.000	0.000	0.000	0.000	0.000	0.000
643	A	662	ILE	0	0.088	0.033	17.205	0.015	0.015	0.000	0.000	0.000	0.000
644	A	663	ASP	-1	-0.774	-0.872	16.336	0.044	0.044	0.000	0.000	0.000	0.000
645	A	664	ALA	0	0.001	0.009	14.699	-0.016	-0.016	0.000	0.000	0.000	0.000
646	A	665	ILE	0	0.004	-0.005	12.925	0.006	0.006	0.000	0.000	0.000	0.000
647	A	666	GLU	-1	-0.763	-0.865	11.885	0.276	0.276	0.000	0.000	0.000	0.000
648	A	667	GLU	-1	-0.862	-0.903	10.495	-0.066	-0.066	0.000	0.000	0.000	0.000
649	A	668	ASN	0	-0.092	-0.048	8.466	-0.107	-0.107	0.000	0.000	0.000	0.000
650	A	669	GLY	0	0.038	0.018	7.872	0.078	0.078	0.000	0.000	0.000	0.000
651	A	670	ALA	0	0.017	0.015	9.550	-0.050	-0.050	0.000	0.000	0.000	0.000
652	A	671	ASP	-1	-0.741	-0.887	9.943	0.797	0.797	0.000	0.000	0.000	0.000
653	A	672	VAL	0	-0.013	-0.002	7.296	-0.088	-0.088	0.000	0.000	0.000	0.000
654	A	673	VAL	0	-0.022	-0.010	10.520	-0.113	-0.113	0.000	0.000	0.000	0.000
655	A	674	ARG	1	0.709	0.841	13.815	-0.406	-0.406	0.000	0.000	0.000	0.000
656	A	675	LEU	0	0.037	0.022	12.845	-0.055	-0.055	0.000	0.000	0.000	0.000
657	A	676	TYR	0	-0.016	-0.034	13.884	-0.053	-0.053	0.000	0.000	0.000	0.000
658	A	677	ILE	0	-0.002	-0.007	15.567	-0.031	-0.031	0.000	0.000	0.000	0.000
659	A	678	MET	0	-0.044	-0.006	18.346	-0.029	-0.029	0.000	0.000	0.000	0.000
660	A	679	SER	0	0.029	0.022	17.105	-0.018	-0.018	0.000	0.000	0.000	0.000
661	A	680	LEU	0	-0.074	-0.009	19.158	-0.021	-0.021	0.000	0.000	0.000	0.000
662	A	681	ALA	0	0.022	0.012	21.427	-0.012	-0.012	0.000	0.000	0.000	0.000
663	A	682	GLU	-1	-0.787	-0.838	24.654	0.084	0.084	0.000	0.000	0.000	0.000
664	A	683	HIS	0	0.084	0.040	27.122	-0.009	-0.009	0.000	0.000	0.000	0.000
665	A	684	ASP	-1	-0.766	-0.885	29.557	0.046	0.046	0.000	0.000	0.000	0.000
666	A	685	SER	0	0.011	0.023	28.704	-0.006	-0.006	0.000	0.000	0.000	0.000
667	A	686	ASP	-1	-0.805	-0.884	28.447	0.050	0.050	0.000	0.000	0.000	0.000
668	A	687	PHE	0	-0.033	-0.012	21.324	0.001	0.001	0.000	0.000	0.000	0.000
669	A	688	ASP	-1	-0.759	-0.854	23.292	0.008	0.008	0.000	0.000	0.000	0.000
670	A	689	TRP	0	0.027	0.012	14.172	0.008	0.008	0.000	0.000	0.000	0.000
671	A	690	ARG	1	0.831	0.894	18.235	0.012	0.012	0.000	0.000	0.000	0.000
672	A	691	ARG	1	0.867	0.909	13.202	0.080	0.080	0.000	0.000	0.000	0.000
673	A	692	LYS	1	0.931	0.949	13.156	0.093	0.093	0.000	0.000	0.000	0.000
674	A	693	GLU	-1	-0.823	-0.878	13.175	-0.026	-0.026	0.000	0.000	0.000	0.000
675	A	694	VAL	0	0.055	0.039	11.184	-0.003	-0.003	0.000	0.000	0.000	0.000
676	A	695	GLY	0	0.042	0.028	8.851	0.010	0.010	0.000	0.000	0.000	0.000
677	A	696	LYS	1	0.845	0.911	8.481	0.003	0.003	0.000	0.000	0.000	0.000
678	A	697	LEU	0	0.004	0.001	10.262	-0.041	-0.041	0.000	0.000	0.000	0.000
679	A	698	ARG	1	0.850	0.920	2.187	0.860	1.811	0.997	-0.623	-1.324	0.000
680	A	699	LYS	1	0.969	0.990	5.151	0.709	0.709	0.000	0.000	0.000	0.000
681	A	700	GLN	0	-0.044	-0.007	6.758	-0.009	-0.009	0.000	0.000	0.000	0.000
682	A	701	ILE	0	0.048	0.027	7.014	0.002	0.002	0.000	0.000	0.000	0.000
683	A	702	GLU	-1	-0.828	-0.920	2.606	-6.781	-3.055	2.573	-2.702	-3.597	-0.033
684	A	703	ARG	1	0.838	0.897	5.330	0.325	0.387	-0.001	-0.001	-0.060	0.000
685	A	704	PHE	0	0.022	0.005	8.087	0.018	0.018	0.000	0.000	0.000	0.000
686	A	705	TYR	0	0.065	0.039	4.353	0.248	0.391	-0.001	-0.011	-0.132	0.000
687	A	706	GLU	-1	-0.849	-0.898	5.443	-0.971	-0.971	0.000	0.000	0.000	0.000
688	A	707	LEU	0	-0.021	-0.002	7.289	0.043	0.043	0.000	0.000	0.000	0.000
689	A	708	ILE	0	0.016	0.017	10.568	-0.008	-0.008	0.000	0.000	0.000	0.000
690	A	709	SER	0	-0.021	-0.030	8.139	0.065	0.065	0.000	0.000	0.000	0.000
691	A	710	GLN	0	-0.029	-0.017	10.575	-0.045	-0.045	0.000	0.000	0.000	0.000
692	A	711	PHE	0	-0.019	-0.028	12.823	-0.007	-0.007	0.000	0.000	0.000	0.000
693	A	712	ALA	0	0.004	0.010	13.860	0.003	0.003	0.000	0.000	0.000	0.000
694	A	713	GLU	-1	-0.914	-0.943	13.920	0.025	0.025	0.000	0.000	0.000	0.000
695	A	714	TYR	0	-0.172	-0.084	16.911	-0.019	-0.019	0.000	0.000	0.000	0.000
696	A	715	GLU	-1	-0.833	-0.922	19.646	0.067	0.067	0.000	0.000	0.000	0.000
697	A	716	VAL	0	-0.057	-0.031	22.065	0.000	0.000	0.000	0.000	0.000	0.000
698	A	717	LYS	1	0.766	0.883	24.636	-0.027	-0.027	0.000	0.000	0.000	0.000
699	A	718	GLY	0	0.041	0.024	27.518	0.001	0.001	0.000	0.000	0.000	0.000
700	A	719	ASN	0	-0.023	-0.034	29.245	-0.003	-0.003	0.000	0.000	0.000	0.000
701	A	720	VAL	0	-0.005	0.014	28.945	-0.004	-0.004	0.000	0.000	0.000	0.000
702	A	721	GLU	-1	-0.874	-0.928	32.178	0.019	0.019	0.000	0.000	0.000	0.000
703	A	722	LEU	0	-0.029	-0.025	29.699	-0.003	-0.003	0.000	0.000	0.000	0.000
704	A	723	LYS	1	0.895	0.939	31.027	0.003	0.003	0.000	0.000	0.000	0.000
705	A	724	ASP	-1	-0.764	-0.878	31.520	0.014	0.014	0.000	0.000	0.000	0.000
706	A	725	ILE	0	-0.039	-0.024	27.214	0.003	0.003	0.000	0.000	0.000	0.000
707	A	726	ASP	-1	-0.741	-0.814	27.063	0.007	0.007	0.000	0.000	0.000	0.000
708	A	727	ARG	1	0.901	0.935	27.618	-0.013	-0.013	0.000	0.000	0.000	0.000
709	A	728	TRP	0	-0.030	0.008	24.802	0.004	0.004	0.000	0.000	0.000	0.000
710	A	729	MET	0	-0.016	0.009	21.798	0.000	0.000	0.000	0.000	0.000	0.000
711	A	730	LEU	0	0.007	0.005	24.937	0.008	0.008	0.000	0.000	0.000	0.000
712	A	731	HIS	0	0.042	0.023	26.689	0.010	0.010	0.000	0.000	0.000	0.000
713	A	732	ARG	1	0.763	0.843	25.236	-0.027	-0.027	0.000	0.000	0.000	0.000
714	A	733	LEU	0	-0.007	0.005	21.244	0.006	0.006	0.000	0.000	0.000	0.000
715	A	734	ASN	0	0.011	0.001	24.344	0.011	0.011	0.000	0.000	0.000	0.000
716	A	735	LYS	1	0.852	0.904	27.499	-0.031	-0.031	0.000	0.000	0.000	0.000
717	A	736	ALA	0	-0.010	-0.012	23.263	0.002	0.002	0.000	0.000	0.000	0.000
718	A	737	ILE	0	0.000	0.033	24.384	0.010	0.010	0.000	0.000	0.000	0.000
719	A	738	LYS	1	0.919	0.967	25.773	-0.054	-0.054	0.000	0.000	0.000	0.000
720	A	739	GLU	-1	-0.844	-0.904	27.559	0.061	0.061	0.000	0.000	0.000	0.000
721	A	740	THR	0	-0.065	-0.044	22.584	0.005	0.005	0.000	0.000	0.000	0.000
722	A	741	THR	0	-0.003	-0.028	25.660	0.006	0.006	0.000	0.000	0.000	0.000
723	A	742	ASN	0	-0.078	-0.041	28.291	0.001	0.001	0.000	0.000	0.000	0.000
724	A	743	ALA	0	0.000	0.000	26.403	0.000	0.000	0.000	0.000	0.000	0.000
725	A	744	LEU	0	-0.031	-0.014	23.176	0.003	0.003	0.000	0.000	0.000	0.000
726	A	745	GLU	-1	-0.807	-0.892	27.299	0.094	0.094	0.000	0.000	0.000	0.000
727	A	746	GLU	-1	-0.940	-0.948	30.644	0.059	0.059	0.000	0.000	0.000	0.000
728	A	747	PHE	0	-0.024	-0.032	28.050	-0.003	-0.003	0.000	0.000	0.000	0.000
729	A	748	ARG	1	0.754	0.875	27.751	-0.064	-0.064	0.000	0.000	0.000	0.000
730	A	749	THR	0	0.055	0.004	22.670	-0.001	-0.001	0.000	0.000	0.000	0.000
731	A	750	ARG	1	0.890	0.953	22.330	-0.041	-0.041	0.000	0.000	0.000	0.000
732	A	751	THR	0	-0.034	-0.053	22.863	-0.003	-0.003	0.000	0.000	0.000	0.000
733	A	752	ALA	0	0.042	0.019	23.091	0.000	0.000	0.000	0.000	0.000	0.000
734	A	753	VAL	0	0.005	0.003	17.336	0.006	0.006	0.000	0.000	0.000	0.000
735	A	754	GLN	0	-0.072	-0.040	19.433	-0.007	-0.007	0.000	0.000	0.000	0.000
736	A	755	TRP	0	0.008	0.010	21.579	-0.011	-0.011	0.000	0.000	0.000	0.000
737	A	756	ALA	0	0.048	0.027	19.346	-0.002	-0.002	0.000	0.000	0.000	0.000
738	A	757	PHE	0	0.018	-0.007	11.558	0.018	0.018	0.000	0.000	0.000	0.000
739	A	758	TYR	0	-0.058	-0.048	16.453	-0.031	-0.031	0.000	0.000	0.000	0.000
740	A	759	SER	0	-0.018	-0.002	18.627	-0.022	-0.022	0.000	0.000	0.000	0.000
741	A	760	ILE	0	0.067	0.040	17.853	-0.017	-0.017	0.000	0.000	0.000	0.000
742	A	761	MET	0	0.001	0.012	11.929	-0.036	-0.036	0.000	0.000	0.000	0.000
743	A	762	ASN	0	-0.075	-0.045	16.958	-0.047	-0.047	0.000	0.000	0.000	0.000
744	A	763	ASP	-1	-0.781	-0.853	19.472	0.021	0.021	0.000	0.000	0.000	0.000
745	A	764	LEU	0	0.057	0.030	15.587	-0.011	-0.011	0.000	0.000	0.000	0.000
746	A	765	ARG	1	0.849	0.913	15.232	0.047	0.047	0.000	0.000	0.000	0.000
747	A	766	TRP	0	-0.002	-0.011	18.599	-0.011	-0.011	0.000	0.000	0.000	0.000
748	A	767	TYR	0	0.035	-0.015	21.431	-0.004	-0.004	0.000	0.000	0.000	0.000
749	A	768	LEU	0	-0.022	-0.005	16.848	-0.004	-0.004	0.000	0.000	0.000	0.000
750	A	769	ARG	1	0.784	0.860	21.051	0.055	0.055	0.000	0.000	0.000	0.000
751	A	770	ARG	1	0.740	0.855	22.486	0.016	0.016	0.000	0.000	0.000	0.000
752	A	771	THR	0	-0.057	-0.022	23.874	0.002	0.002	0.000	0.000	0.000	0.000
753	A	772	GLU	-1	-0.836	-0.913	21.275	-0.087	-0.087	0.000	0.000	0.000	0.000
754	A	773	GLY	0	-0.040	-0.017	22.990	0.005	0.005	0.000	0.000	0.000	0.000
755	A	774	ARG	1	0.722	0.814	24.852	0.008	0.008	0.000	0.000	0.000	0.000
756	A	775	ASP	-1	-0.785	-0.881	21.888	-0.037	-0.037	0.000	0.000	0.000	0.000
757	A	776	ASP	-1	-0.764	-0.852	24.638	-0.003	-0.003	0.000	0.000	0.000	0.000
758	A	777	GLU	-1	-0.768	-0.893	25.930	0.025	0.025	0.000	0.000	0.000	0.000
759	A	778	ALA	0	0.012	0.028	26.682	0.007	0.007	0.000	0.000	0.000	0.000
760	A	779	LYS	1	0.877	0.930	21.544	0.042	0.042	0.000	0.000	0.000	0.000
761	A	780	ARG	1	0.798	0.882	20.410	0.019	0.019	0.000	0.000	0.000	0.000
762	A	781	TYR	0	0.046	0.027	22.163	0.012	0.012	0.000	0.000	0.000	0.000
763	A	782	VAL	0	-0.024	0.007	22.428	0.012	0.012	0.000	0.000	0.000	0.000
764	A	783	LEU	0	-0.021	-0.009	18.247	0.010	0.010	0.000	0.000	0.000	0.000
765	A	784	ARG	1	0.831	0.897	18.660	-0.108	-0.108	0.000	0.000	0.000	0.000
766	A	785	THR	0	-0.041	-0.033	20.014	0.021	0.021	0.000	0.000	0.000	0.000
767	A	786	LEU	0	-0.019	-0.005	17.634	0.013	0.013	0.000	0.000	0.000	0.000
768	A	787	ALA	0	-0.001	-0.016	15.753	0.022	0.022	0.000	0.000	0.000	0.000
769	A	788	ASP	-1	-0.819	-0.884	17.059	0.199	0.199	0.000	0.000	0.000	0.000
770	A	789	VAL	0	0.045	0.026	19.537	0.022	0.022	0.000	0.000	0.000	0.000
771	A	790	TRP	0	-0.028	-0.033	14.245	0.015	0.015	0.000	0.000	0.000	0.000
772	A	791	VAL	0	0.020	0.001	13.533	0.032	0.032	0.000	0.000	0.000	0.000
773	A	792	ARG	1	0.817	0.886	15.953	-0.151	-0.151	0.000	0.000	0.000	0.000
774	A	793	LEU	0	-0.002	0.000	19.126	-0.004	-0.004	0.000	0.000	0.000	0.000
775	A	794	MET	0	-0.036	-0.018	13.263	-0.028	-0.028	0.000	0.000	0.000	0.000
776	A	795	ALA	0	0.011	0.008	16.241	0.031	0.031	0.000	0.000	0.000	0.000
777	A	796	PRO	0	0.000	-0.003	17.214	0.017	0.017	0.000	0.000	0.000	0.000
778	A	797	PHE	0	0.017	0.004	16.181	-0.003	-0.003	0.000	0.000	0.000	0.000
779	A	798	THR	0	-0.087	-0.035	11.826	-0.014	-0.014	0.000	0.000	0.000	0.000
780	A	799	PRO	0	0.076	0.050	13.418	0.068	0.068	0.000	0.000	0.000	0.000
781	A	800	HIS	0	0.026	0.001	11.469	-0.059	-0.059	0.000	0.000	0.000	0.000
782	A	801	ILE	0	-0.030	-0.032	7.350	0.105	0.105	0.000	0.000	0.000	0.000
783	A	802	CYS	0	-0.035	0.008	9.987	-0.085	-0.085	0.000	0.000	0.000	0.000
784	A	803	GLU	-1	-0.673	-0.822	13.182	0.301	0.301	0.000	0.000	0.000	0.000
785	A	804	GLU	-1	-0.873	-0.926	8.694	0.988	0.988	0.000	0.000	0.000	0.000
786	A	805	LEU	0	-0.059	-0.040	8.504	-0.083	-0.083	0.000	0.000	0.000	0.000
787	A	806	TRP	0	-0.023	-0.009	11.993	-0.098	-0.098	0.000	0.000	0.000	0.000
788	A	807	GLU	-1	-0.813	-0.920	14.573	0.324	0.324	0.000	0.000	0.000	0.000
789	A	808	LYS	1	0.840	0.916	7.408	-0.806	-0.806	0.000	0.000	0.000	0.000
790	A	809	LEU	0	-0.003	0.000	14.379	-0.059	-0.059	0.000	0.000	0.000	0.000
791	A	810	GLY	0	0.004	0.005	16.702	-0.043	-0.043	0.000	0.000	0.000	0.000
792	A	811	GLY	0	-0.001	0.024	18.904	-0.013	-0.013	0.000	0.000	0.000	0.000
793	A	812	GLU	-1	-0.829	-0.883	19.981	0.140	0.140	0.000	0.000	0.000	0.000
794	A	813	GLY	0	0.012	0.010	22.920	0.003	0.003	0.000	0.000	0.000	0.000
795	A	814	PHE	0	0.001	-0.008	19.514	0.018	0.018	0.000	0.000	0.000	0.000
796	A	815	VAL	0	0.039	0.011	16.470	-0.026	-0.026	0.000	0.000	0.000	0.000
797	A	816	SER	0	-0.066	-0.064	19.293	-0.020	-0.020	0.000	0.000	0.000	0.000
798	A	817	LEU	0	-0.045	-0.033	21.365	-0.020	-0.020	0.000	0.000	0.000	0.000
799	A	818	ALA	0	-0.057	0.003	22.136	-0.020	-0.020	0.000	0.000	0.000	0.000
800	A	819	LYS	1	0.821	0.872	24.164	-0.155	-0.155	0.000	0.000	0.000	0.000
801	A	820	TRP	0	0.011	-0.016	21.987	0.004	0.004	0.000	0.000	0.000	0.000
802	A	821	PRO	0	-0.084	-0.024	22.448	-0.013	-0.013	0.000	0.000	0.000	0.000
803	A	822	GLU	-1	-0.745	-0.884	25.684	0.104	0.104	0.000	0.000	0.000	0.000
804	A	823	PRO	0	-0.067	-0.045	28.837	0.000	0.000	0.000	0.000	0.000	0.000
805	A	824	VAL	0	-0.005	0.013	28.336	0.000	0.000	0.000	0.000	0.000	0.000
806	A	825	GLU	-1	-0.906	-0.959	31.233	0.052	0.052	0.000	0.000	0.000	0.000
807	A	826	GLU	-1	-0.873	-0.942	34.384	0.039	0.039	0.000	0.000	0.000	0.000
808	A	827	TRP	0	-0.018	0.013	25.943	0.003	0.003	0.000	0.000	0.000	0.000
809	A	828	TRP	0	-0.068	-0.071	31.562	-0.004	-0.004	0.000	0.000	0.000	0.000
810	A	829	ASN	0	-0.014	-0.033	33.206	-0.005	-0.005	0.000	0.000	0.000	0.000
811	A	830	GLU	-1	-0.891	-0.936	34.423	0.023	0.023	0.000	0.000	0.000	0.000
812	A	831	THR	0	-0.009	0.014	36.038	-0.002	-0.002	0.000	0.000	0.000	0.000
813	A	832	ILE	0	0.032	0.005	32.780	-0.003	-0.003	0.000	0.000	0.000	0.000
814	A	833	GLU	-1	-0.800	-0.867	30.626	0.027	0.027	0.000	0.000	0.000	0.000
815	A	834	ALA	0	0.028	0.006	33.308	-0.003	-0.003	0.000	0.000	0.000	0.000
816	A	835	GLU	-1	-0.826	-0.913	36.323	0.002	0.002	0.000	0.000	0.000	0.000
817	A	836	GLU	-1	-0.788	-0.874	29.977	-0.009	-0.009	0.000	0.000	0.000	0.000
818	A	837	GLU	-1	-0.932	-0.973	32.594	0.005	0.005	0.000	0.000	0.000	0.000
819	A	838	PHE	0	-0.007	0.007	33.460	-0.003	-0.003	0.000	0.000	0.000	0.000
820	A	839	ILE	0	0.029	0.018	32.684	-0.002	-0.002	0.000	0.000	0.000	0.000
821	A	840	ARG	1	0.904	0.968	25.917	0.013	0.013	0.000	0.000	0.000	0.000
822	A	841	SER	0	-0.041	-0.025	32.911	-0.002	-0.002	0.000	0.000	0.000	0.000
823	A	842	VAL	0	0.026	0.006	35.895	-0.001	-0.001	0.000	0.000	0.000	0.000
824	A	843	MET	0	-0.025	-0.005	30.601	-0.003	-0.003	0.000	0.000	0.000	0.000
825	A	844	GLU	-1	-0.909	-0.945	31.080	-0.028	-0.028	0.000	0.000	0.000	0.000
826	A	845	ASP	-1	-0.786	-0.871	34.869	-0.013	-0.013	0.000	0.000	0.000	0.000
827	A	846	ILE	0	-0.059	-0.040	37.418	0.000	0.000	0.000	0.000	0.000	0.000
828	A	847	LYS	1	0.856	0.943	31.638	0.029	0.029	0.000	0.000	0.000	0.000
829	A	848	GLU	-1	-0.912	-0.949	36.091	-0.020	-0.020	0.000	0.000	0.000	0.000
830	A	849	ILE	0	-0.044	-0.042	37.960	0.000	0.000	0.000	0.000	0.000	0.000
831	A	850	ILE	0	-0.041	-0.015	37.749	0.001	0.001	0.000	0.000	0.000	0.000
832	A	851	GLU	-1	-0.892	-0.956	33.565	-0.035	-0.035	0.000	0.000	0.000	0.000
833	A	852	VAL	0	-0.050	-0.019	38.355	0.000	0.000	0.000	0.000	0.000	0.000
834	A	853	ALA	0	-0.075	-0.034	41.635	0.001	0.001	0.000	0.000	0.000	0.000
835	A	854	LYS	1	0.753	0.872	42.211	0.023	0.023	0.000	0.000	0.000	0.000
836	A	855	ILE	0	0.013	0.003	38.904	-0.001	-0.001	0.000	0.000	0.000	0.000
837	A	856	GLU	-1	-0.916	-0.967	38.067	-0.037	-0.037	0.000	0.000	0.000	0.000
838	A	857	ASN	0	-0.050	-0.041	40.566	0.001	0.001	0.000	0.000	0.000	0.000
839	A	858	ALA	0	0.043	0.032	40.681	-0.001	-0.001	0.000	0.000	0.000	0.000
840	A	859	LYS	1	0.910	0.965	40.617	0.019	0.019	0.000	0.000	0.000	0.000
841	A	860	ARG	1	0.830	0.943	39.400	0.020	0.020	0.000	0.000	0.000	0.000
842	A	861	ALA	0	-0.019	0.001	43.349	0.000	0.000	0.000	0.000	0.000	0.000
843	A	862	TYR	0	-0.025	-0.016	39.967	0.000	0.000	0.000	0.000	0.000	0.000
844	A	863	ILE	0	-0.011	-0.003	45.647	0.000	0.000	0.000	0.000	0.000	0.000
845	A	864	TYR	0	0.029	0.017	43.627	0.000	0.000	0.000	0.000	0.000	0.000
846	A	865	THR	0	-0.064	-0.038	46.639	0.000	0.000	0.000	0.000	0.000	0.000
847	A	866	ALA	0	0.036	0.010	49.047	0.000	0.000	0.000	0.000	0.000	0.000
848	A	867	GLU	-1	-0.785	-0.908	50.510	0.003	0.003	0.000	0.000	0.000	0.000
849	A	868	ASP	-1	-0.838	-0.916	53.551	0.003	0.003	0.000	0.000	0.000	0.000
850	A	869	TRP	0	-0.001	-0.008	55.361	0.000	0.000	0.000	0.000	0.000	0.000
851	A	870	LYS	1	0.772	0.887	52.070	0.002	0.002	0.000	0.000	0.000	0.000
852	A	871	TRP	0	0.053	0.022	44.942	0.001	0.001	0.000	0.000	0.000	0.000
853	A	872	LYS	1	0.836	0.917	51.658	-0.004	-0.004	0.000	0.000	0.000	0.000
854	A	873	VAL	0	0.019	0.008	54.654	0.001	0.001	0.000	0.000	0.000	0.000
855	A	874	ALA	0	-0.015	-0.008	49.829	0.001	0.001	0.000	0.000	0.000	0.000
856	A	875	GLU	-1	-0.802	-0.885	50.787	0.007	0.007	0.000	0.000	0.000	0.000
857	A	876	VAL	0	0.028	0.023	52.057	0.001	0.001	0.000	0.000	0.000	0.000
858	A	877	VAL	0	0.002	-0.019	53.725	0.000	0.000	0.000	0.000	0.000	0.000
859	A	878	SER	0	-0.020	-0.019	50.733	0.000	0.000	0.000	0.000	0.000	0.000
860	A	879	GLU	-1	-0.873	-0.911	52.294	0.013	0.013	0.000	0.000	0.000	0.000
861	A	880	LYS	1	0.778	0.874	55.260	-0.007	-0.007	0.000	0.000	0.000	0.000
862	A	881	ARG	1	0.778	0.855	50.701	-0.009	-0.009	0.000	0.000	0.000	0.000
863	A	882	ASP	-1	-0.684	-0.792	55.735	0.005	0.005	0.000	0.000	0.000	0.000
864	A	883	PHE	0	-0.005	-0.018	58.707	-0.001	-0.001	0.000	0.000	0.000	0.000
865	A	884	LYS	1	0.779	0.908	60.611	-0.004	-0.004	0.000	0.000	0.000	0.000
866	A	885	SER	0	0.127	0.044	61.940	0.000	0.000	0.000	0.000	0.000	0.000
867	A	886	SER	0	-0.002	-0.024	58.600	0.000	0.000	0.000	0.000	0.000	0.000
868	A	887	MET	0	-0.037	-0.020	60.585	0.000	0.000	0.000	0.000	0.000	0.000
869	A	888	GLU	-1	-0.899	-0.959	62.828	0.004	0.004	0.000	0.000	0.000	0.000
870	A	889	GLU	-1	-0.831	-0.888	60.840	0.007	0.007	0.000	0.000	0.000	0.000
871	A	890	LEU	0	-0.004	0.004	58.019	0.000	0.000	0.000	0.000	0.000	0.000
872	A	891	MET	0	-0.053	-0.036	62.403	0.000	0.000	0.000	0.000	0.000	0.000
873	A	892	LYS	1	0.801	0.894	65.255	-0.006	-0.006	0.000	0.000	0.000	0.000
874	A	893	ASP	-1	-0.819	-0.894	62.870	0.005	0.005	0.000	0.000	0.000	0.000
875	A	894	SER	0	-0.017	-0.021	65.427	-0.001	-0.001	0.000	0.000	0.000	0.000
876	A	895	GLU	-1	-0.814	-0.903	61.639	0.000	0.000	0.000	0.000	0.000	0.000
877	A	896	ILE	0	0.017	0.015	59.628	0.000	0.000	0.000	0.000	0.000	0.000
878	A	897	ARG	1	0.941	0.966	61.964	-0.002	-0.002	0.000	0.000	0.000	0.000
879	A	898	LYS	1	0.733	0.865	63.327	0.000	0.000	0.000	0.000	0.000	0.000
880	A	899	HIS	0	0.051	0.027	60.078	0.000	0.000	0.000	0.000	0.000	0.000
881	A	900	GLY	0	0.021	-0.002	63.026	0.000	0.000	0.000	0.000	0.000	0.000
882	A	901	LYS	1	0.873	0.935	61.119	0.004	0.004	0.000	0.000	0.000	0.000
883	A	902	GLU	-1	-0.817	-0.893	58.049	-0.004	-0.004	0.000	0.000	0.000	0.000
884	A	903	VAL	0	0.010	0.006	58.552	0.000	0.000	0.000	0.000	0.000	0.000
885	A	904	ALA	0	0.027	0.010	59.179	0.001	0.001	0.000	0.000	0.000	0.000
886	A	905	LYS	1	0.860	0.911	54.146	0.003	0.003	0.000	0.000	0.000	0.000
887	A	906	ILE	0	0.034	0.018	54.435	0.000	0.000	0.000	0.000	0.000	0.000
888	A	907	VAL	0	-0.006	0.004	55.376	0.000	0.000	0.000	0.000	0.000	0.000
889	A	908	GLN	0	0.038	0.019	50.865	0.000	0.000	0.000	0.000	0.000	0.000
890	A	909	LYS	1	0.825	0.906	46.870	-0.005	-0.005	0.000	0.000	0.000	0.000
891	A	910	LEU	0	0.029	0.030	50.886	0.001	0.001	0.000	0.000	0.000	0.000
892	A	911	ILE	0	-0.047	-0.025	51.499	0.001	0.001	0.000	0.000	0.000	0.000
893	A	912	LYS	1	0.854	0.920	46.955	0.001	0.001	0.000	0.000	0.000	0.000
894	A	913	GLU	-1	-0.757	-0.823	47.156	0.009	0.009	0.000	0.000	0.000	0.000
895	A	914	ARG	1	0.872	0.925	47.344	-0.013	-0.013	0.000	0.000	0.000	0.000
896	A	915	THR	0	-0.008	0.002	46.781	-0.001	-0.001	0.000	0.000	0.000	0.000
897	A	916	PHE	0	0.016	0.003	38.730	0.001	0.001	0.000	0.000	0.000	0.000
898	A	917	ASP	-1	-0.730	-0.875	41.266	0.013	0.013	0.000	0.000	0.000	0.000
899	A	918	VAL	0	-0.053	-0.018	43.508	-0.002	-0.002	0.000	0.000	0.000	0.000
900	A	919	LYS	1	0.908	0.973	39.621	-0.009	-0.009	0.000	0.000	0.000	0.000
901	A	920	ARG	1	0.831	0.880	42.531	-0.008	-0.008	0.000	0.000	0.000	0.000
902	A	921	ILE	0	-0.011	0.009	40.260	-0.001	-0.001	0.000	0.000	0.000	0.000
903	A	922	ASN	0	0.060	0.043	40.939	0.000	0.000	0.000	0.000	0.000	0.000
904	A	923	GLH	0	-0.066	-0.053	41.198	-0.001	-0.001	0.000	0.000	0.000	0.000
905	A	924	GLU	-1	-0.795	-0.904	40.796	-0.005	-0.005	0.000	0.000	0.000	0.000
906	A	925	LYS	1	0.815	0.929	32.738	-0.002	-0.002	0.000	0.000	0.000	0.000
907	A	926	ALA	0	-0.028	-0.023	37.138	-0.002	-0.002	0.000	0.000	0.000	0.000
908	A	927	LEU	0	-0.045	-0.011	38.815	-0.003	-0.003	0.000	0.000	0.000	0.000
909	A	928	ARG	1	0.748	0.830	36.028	-0.006	-0.006	0.000	0.000	0.000	0.000
910	A	929	GLU	-1	-0.779	-0.896	31.390	0.000	0.000	0.000	0.000	0.000	0.000
911	A	930	ALA	0	0.028	0.027	32.174	-0.002	-0.002	0.000	0.000	0.000	0.000
912	A	931	LYS	1	0.805	0.896	34.328	0.019	0.019	0.000	0.000	0.000	0.000
913	A	932	GLU	-1	-0.831	-0.928	32.278	-0.022	-0.022	0.000	0.000	0.000	0.000
914	A	933	PHE	0	-0.024	-0.012	26.498	-0.003	-0.003	0.000	0.000	0.000	0.000
915	A	934	MET	0	0.014	-0.016	31.068	-0.003	-0.003	0.000	0.000	0.000	0.000
916	A	935	GLU	-1	-0.789	-0.855	33.497	-0.026	-0.026	0.000	0.000	0.000	0.000
917	A	936	LYS	1	0.832	0.914	24.682	0.060	0.060	0.000	0.000	0.000	0.000
918	A	937	GLU	-1	-0.854	-0.892	26.805	-0.058	-0.058	0.000	0.000	0.000	0.000
919	A	938	LEU	0	-0.026	-0.031	29.839	-0.002	-0.002	0.000	0.000	0.000	0.000
920	A	939	GLY	0	-0.012	0.016	32.730	0.000	0.000	0.000	0.000	0.000	0.000
921	A	940	ILE	0	-0.048	-0.007	33.795	0.001	0.001	0.000	0.000	0.000	0.000
922	A	941	GLU	-1	-0.878	-0.962	37.290	-0.022	-0.022	0.000	0.000	0.000	0.000
923	A	942	ILE	0	-0.039	-0.043	37.033	0.002	0.002	0.000	0.000	0.000	0.000
924	A	943	ILE	0	0.008	-0.002	40.381	0.001	0.001	0.000	0.000	0.000	0.000
925	A	944	ILE	0	0.047	0.005	40.354	0.000	0.000	0.000	0.000	0.000	0.000
926	A	945	ASN	0	-0.011	-0.011	44.437	0.000	0.000	0.000	0.000	0.000	0.000
927	A	946	PRO	0	0.027	0.024	47.300	0.001	0.001	0.000	0.000	0.000	0.000
928	A	947	THR	0	0.027	0.011	50.129	0.001	0.001	0.000	0.000	0.000	0.000
929	A	948	GLU	-1	-0.827	-0.900	50.804	-0.013	-0.013	0.000	0.000	0.000	0.000
930	A	949	ASP	-1	-0.787	-0.896	53.986	-0.008	-0.008	0.000	0.000	0.000	0.000
931	A	950	LYS	1	0.822	0.902	49.766	0.013	0.013	0.000	0.000	0.000	0.000
932	A	951	GLY	0	0.021	0.030	51.831	0.001	0.001	0.000	0.000	0.000	0.000
933	A	952	GLY	0	-0.019	-0.004	53.167	0.000	0.000	0.000	0.000	0.000	0.000
934	A	953	LYN	0	-0.008	0.002	49.280	0.000	0.000	0.000	0.000	0.000	0.000
935	A	954	LYS	1	0.820	0.877	51.666	0.008	0.008	0.000	0.000	0.000	0.000
936	A	955	LYN	0	-0.002	-0.002	52.526	0.000	0.000	0.000	0.000	0.000	0.000
937	A	956	GLN	0	-0.038	-0.009	52.447	0.001	0.001	0.000	0.000	0.000	0.000
938	A	957	ALA	0	-0.022	0.010	48.369	0.000	0.000	0.000	0.000	0.000	0.000
939	A	958	MET	0	-0.012	-0.025	48.057	0.001	0.001	0.000	0.000	0.000	0.000
940	A	959	PRO	0	0.018	0.012	46.999	-0.001	-0.001	0.000	0.000	0.000	0.000
941	A	960	LEU	0	-0.028	-0.018	41.425	0.000	0.000	0.000	0.000	0.000	0.000
942	A	961	LYS	1	0.819	0.896	40.747	0.009	0.009	0.000	0.000	0.000	0.000
943	A	962	PRO	0	0.033	0.015	42.282	0.000	0.000	0.000	0.000	0.000	0.000
944	A	963	ALA	0	-0.002	0.011	45.243	-0.001	-0.001	0.000	0.000	0.000	0.000
945	A	964	ILE	0	0.001	-0.010	42.287	0.000	0.000	0.000	0.000	0.000	0.000
946	A	965	PHE	0	0.012	-0.001	45.371	0.000	0.000	0.000	0.000	0.000	0.000
947	A	966	ILE	0	0.092	0.043	41.845	0.000	0.000	0.000	0.000	0.000	0.000
948	A	967	GLU	-1	-0.846	-0.891	44.460	-0.020	-0.020	0.000	0.000	0.000	0.000

Top

Graph

Manual

About

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