FMO DATABASE

FMODB ID: YY6V2

Calculation Name: 3PSF-A-Xray318

Preferred Name:

Target Type:

Ligand Name:

Ligand 3-letter code:

Ligand of Interest (LOI):

Structure Source: PDB

PDB ID: 3PSF

Chain ID: A

ChEMBL ID:

UniProt ID: P23615

Base Structure: X-ray

Registration Date: 2021-09-07

Reference: C. Watanabe, S. Koyama, K. Kamisaka, D. Takaya, T. Honma et. al., Interaction energy analysis of Apo structure dataset on FMODB, To be pubulished.

DOI:

Apendix: None

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. 1.20200129
Remarks	Structural optimization was performed under the unconstrained condition of hydrogen and heavy atoms fixed using MOE with Auto-FMO protocol as OptH.

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	845
LigandResidueName
LigandFragmentNumber	0
LigandCharge
Software	ABINIT-MP - Open Ver.1 Rev. 15 / 20190524

Total energy (hartree)

FMO2-HF: Electronic energy	-21781191.293682
FMO2-HF: Nuclear repulsion	21442329.941125
FMO2-HF: Total energy	-338861.352557
FMO2-MP2: Total energy	-339860.050106

3D Structure Molmil

Snapshot

Ligand structure

Ligand Interaction

Ligand binding energy

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

Interactive mode: IFIE and PIEDA for fragment #1(A:297:ACE )

Summations of interaction energy for fragment #1(A:297:ACE )

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.
0.61	1.762	0.008	-0.41	-0.75	-0.001

Interaction energy analysis for fragmet #1(A:297:ACE )

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : -0.062 / q_NPA : -0.044

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	299	ILE	0	-0.015	-0.017	3.826	1.216	1.961	-0.006	-0.314	-0.425	-0.001
4	A	300	TYR	0	0.002	-0.006	3.453	0.109	0.392	0.014	-0.079	-0.218	0.000
5	A	301	ASP	-1	-0.923	-0.945	4.620	-1.218	-1.094	0.000	-0.017	-0.107	0.000
6	A	302	LEU	0	0.016	-0.010	5.909	0.327	0.327	0.000	0.000	0.000	0.000
7	A	303	GLU	-1	-0.978	-0.983	8.153	0.350	0.350	0.000	0.000	0.000	0.000
8	A	304	ASP	-1	-0.883	-0.951	8.691	0.145	0.145	0.000	0.000	0.000	0.000
9	A	305	LEU	0	-0.030	-0.006	10.377	0.047	0.047	0.000	0.000	0.000	0.000
10	A	306	LYS	1	0.969	0.981	12.409	0.135	0.135	0.000	0.000	0.000	0.000
11	A	307	LYS	1	0.889	0.948	12.500	-0.088	-0.088	0.000	0.000	0.000	0.000
12	A	308	ASN	0	-0.005	0.006	13.560	0.042	0.042	0.000	0.000	0.000	0.000
13	A	309	LEU	0	-0.075	-0.022	16.510	0.005	0.005	0.000	0.000	0.000	0.000
14	A	310	MET	0	-0.025	-0.028	14.646	0.015	0.015	0.000	0.000	0.000	0.000
15	A	311	THR	0	0.021	0.022	14.156	-0.040	-0.040	0.000	0.000	0.000	0.000
16	A	312	GLU	-1	-0.862	-0.937	15.705	-0.269	-0.269	0.000	0.000	0.000	0.000
17	A	313	GLY	0	0.006	0.000	17.915	0.031	0.031	0.000	0.000	0.000	0.000
18	A	314	ASP	-1	-0.870	-0.957	18.538	-0.137	-0.137	0.000	0.000	0.000	0.000
19	A	315	MET	0	0.001	0.003	18.286	0.027	0.027	0.000	0.000	0.000	0.000
20	A	316	LYS	1	0.972	0.992	21.124	0.132	0.132	0.000	0.000	0.000	0.000
21	A	317	ILE	0	-0.020	-0.006	23.741	0.014	0.014	0.000	0.000	0.000	0.000
22	A	318	ARG	1	0.803	0.909	19.861	0.126	0.126	0.000	0.000	0.000	0.000
23	A	319	LYS	1	0.902	0.958	23.397	0.130	0.130	0.000	0.000	0.000	0.000
24	A	320	THR	0	-0.038	-0.017	26.958	0.007	0.007	0.000	0.000	0.000	0.000
25	A	321	ASP	-1	-0.790	-0.910	29.593	-0.058	-0.058	0.000	0.000	0.000	0.000
26	A	322	ILE	0	-0.014	-0.005	32.115	0.004	0.004	0.000	0.000	0.000	0.000
27	A	323	PRO	0	0.074	0.047	32.161	-0.005	-0.005	0.000	0.000	0.000	0.000
28	A	324	GLU	-1	-0.806	-0.903	26.626	-0.076	-0.076	0.000	0.000	0.000	0.000
29	A	325	ARG	1	0.865	0.916	30.507	0.036	0.036	0.000	0.000	0.000	0.000
30	A	326	TYR	0	-0.009	-0.021	32.571	0.000	0.000	0.000	0.000	0.000	0.000
31	A	327	GLN	0	-0.088	-0.056	28.309	-0.010	-0.010	0.000	0.000	0.000	0.000
32	A	328	GLU	-1	-0.956	-0.984	27.459	-0.069	-0.069	0.000	0.000	0.000	0.000
33	A	329	LEU	0	-0.017	-0.002	29.854	-0.001	-0.001	0.000	0.000	0.000	0.000
34	A	330	ARG	1	0.852	0.932	32.977	0.057	0.057	0.000	0.000	0.000	0.000
35	A	331	ALA	0	-0.010	0.008	28.068	-0.003	-0.003	0.000	0.000	0.000	0.000
36	A	332	GLY	0	-0.028	-0.008	30.025	-0.005	-0.005	0.000	0.000	0.000	0.000
37	A	333	ILE	0	-0.078	-0.030	31.760	0.004	0.004	0.000	0.000	0.000	0.000
38	A	334	THR	0	-0.002	-0.001	34.145	-0.005	-0.005	0.000	0.000	0.000	0.000
39	A	335	ASP	-1	-0.877	-0.948	35.098	-0.066	-0.066	0.000	0.000	0.000	0.000
40	A	336	TYR	0	-0.061	-0.074	35.981	0.003	0.003	0.000	0.000	0.000	0.000
41	A	337	GLY	0	-0.036	-0.032	37.780	0.004	0.004	0.000	0.000	0.000	0.000
42	A	338	ASN	0	-0.057	-0.014	39.348	0.003	0.003	0.000	0.000	0.000	0.000
43	A	339	MET	0	0.022	0.026	42.082	0.001	0.001	0.000	0.000	0.000	0.000
44	A	340	SER	0	0.057	0.030	44.507	0.001	0.001	0.000	0.000	0.000	0.000
45	A	341	SER	0	0.010	-0.017	48.035	0.000	0.000	0.000	0.000	0.000	0.000
46	A	342	GLU	-1	-0.911	-0.952	50.958	-0.030	-0.030	0.000	0.000	0.000	0.000
47	A	343	ASP	-1	-0.831	-0.926	47.425	-0.037	-0.037	0.000	0.000	0.000	0.000
48	A	344	GLN	0	-0.103	-0.061	46.921	0.002	0.002	0.000	0.000	0.000	0.000
49	A	345	GLU	-1	-0.866	-0.909	49.043	-0.026	-0.026	0.000	0.000	0.000	0.000
50	A	346	LEU	0	-0.034	-0.018	51.039	0.002	0.002	0.000	0.000	0.000	0.000
51	A	347	GLH	0	-0.060	-0.058	44.439	0.001	0.001	0.000	0.000	0.000	0.000
52	A	348	ARG	1	0.897	0.942	49.365	0.027	0.027	0.000	0.000	0.000	0.000
53	A	349	ASN	0	-0.021	-0.020	51.479	0.002	0.002	0.000	0.000	0.000	0.000
54	A	350	TRP	0	-0.005	-0.003	46.001	0.001	0.001	0.000	0.000	0.000	0.000
55	A	351	ILE	0	0.000	-0.010	46.141	0.001	0.001	0.000	0.000	0.000	0.000
56	A	352	ALA	0	-0.020	-0.013	50.323	0.001	0.001	0.000	0.000	0.000	0.000
57	A	353	GLU	-1	-0.957	-0.972	53.575	-0.017	-0.017	0.000	0.000	0.000	0.000
58	A	354	LYS	1	0.905	0.949	48.546	0.024	0.024	0.000	0.000	0.000	0.000
59	A	355	ILE	0	-0.006	0.003	48.803	0.001	0.001	0.000	0.000	0.000	0.000
60	A	356	SER	0	-0.016	-0.009	52.655	0.001	0.001	0.000	0.000	0.000	0.000
61	A	357	VAL	0	-0.026	-0.012	54.734	0.001	0.001	0.000	0.000	0.000	0.000
62	A	358	ASP	-1	-0.954	-0.979	54.402	-0.013	-0.013	0.000	0.000	0.000	0.000
63	A	359	LYS	1	0.829	0.936	54.375	0.017	0.017	0.000	0.000	0.000	0.000
64	A	360	ASN	0	-0.069	-0.025	58.494	0.000	0.000	0.000	0.000	0.000	0.000
65	A	361	PHE	0	0.032	0.015	58.604	0.000	0.000	0.000	0.000	0.000	0.000
66	A	362	ASP	-1	-0.923	-0.963	63.463	-0.011	-0.011	0.000	0.000	0.000	0.000
67	A	363	ALA	0	-0.012	-0.018	66.468	0.000	0.000	0.000	0.000	0.000	0.000
68	A	364	ASN	0	-0.057	-0.038	68.199	0.000	0.000	0.000	0.000	0.000	0.000
69	A	365	TYR	0	-0.033	0.003	61.813	0.000	0.000	0.000	0.000	0.000	0.000
70	A	366	ASP	-1	-0.837	-0.919	65.818	-0.017	-0.017	0.000	0.000	0.000	0.000
71	A	367	LEU	0	-0.001	-0.009	60.215	0.000	0.000	0.000	0.000	0.000	0.000
72	A	368	THR	0	-0.051	-0.020	60.433	-0.001	-0.001	0.000	0.000	0.000	0.000
73	A	369	GLU	-1	-0.799	-0.907	60.099	-0.018	-0.018	0.000	0.000	0.000	0.000
74	A	370	PHE	0	-0.001	0.005	54.838	-0.001	-0.001	0.000	0.000	0.000	0.000
75	A	371	LYS	1	0.959	0.961	55.960	0.019	0.019	0.000	0.000	0.000	0.000
76	A	372	GLU	-1	-0.940	-0.962	55.122	-0.022	-0.022	0.000	0.000	0.000	0.000
77	A	373	ALA	0	-0.029	0.014	54.432	-0.001	-0.001	0.000	0.000	0.000	0.000
78	A	374	ILE	0	-0.001	-0.005	50.670	-0.001	-0.001	0.000	0.000	0.000	0.000
79	A	375	GLY	0	-0.002	-0.011	50.372	-0.002	-0.002	0.000	0.000	0.000	0.000
80	A	376	ASN	0	-0.057	-0.030	50.092	-0.003	-0.003	0.000	0.000	0.000	0.000
81	A	377	ALA	0	0.033	0.022	47.679	-0.001	-0.001	0.000	0.000	0.000	0.000
82	A	378	ILE	0	0.021	0.010	45.704	-0.002	-0.002	0.000	0.000	0.000	0.000
83	A	379	LYS	1	0.895	0.960	45.349	0.029	0.029	0.000	0.000	0.000	0.000
84	A	380	PHE	0	0.038	0.005	45.194	-0.002	-0.002	0.000	0.000	0.000	0.000
85	A	381	ILE	0	0.019	0.017	40.823	-0.002	-0.002	0.000	0.000	0.000	0.000
86	A	382	THR	0	-0.031	-0.023	40.702	-0.003	-0.003	0.000	0.000	0.000	0.000
87	A	383	LYS	1	0.882	0.939	41.051	0.036	0.036	0.000	0.000	0.000	0.000
88	A	384	GLU	-1	-0.938	-0.970	42.172	-0.037	-0.037	0.000	0.000	0.000	0.000
89	A	385	ASN	0	-0.028	0.005	37.504	-0.001	-0.001	0.000	0.000	0.000	0.000
90	A	386	LEU	0	0.055	0.032	38.821	-0.001	-0.001	0.000	0.000	0.000	0.000
91	A	387	GLU	-1	-0.756	-0.864	36.356	-0.041	-0.041	0.000	0.000	0.000	0.000
92	A	388	VAL	0	0.032	0.013	40.617	0.001	0.001	0.000	0.000	0.000	0.000
93	A	389	PRO	0	0.058	0.033	40.266	0.001	0.001	0.000	0.000	0.000	0.000
94	A	390	PHE	0	0.049	0.018	42.560	0.001	0.001	0.000	0.000	0.000	0.000
95	A	391	ILE	0	-0.048	-0.018	44.099	0.001	0.001	0.000	0.000	0.000	0.000
96	A	392	TYR	0	0.046	0.005	46.425	0.001	0.001	0.000	0.000	0.000	0.000
97	A	393	ALA	0	-0.031	-0.001	46.850	0.002	0.002	0.000	0.000	0.000	0.000
98	A	394	TYR	0	-0.048	-0.042	45.068	0.000	0.000	0.000	0.000	0.000	0.000
99	A	395	ARG	1	0.823	0.898	47.908	0.028	0.028	0.000	0.000	0.000	0.000
100	A	396	ARG	1	0.970	1.006	50.942	0.018	0.018	0.000	0.000	0.000	0.000
101	A	397	ASN	0	0.017	0.000	53.069	0.000	0.000	0.000	0.000	0.000	0.000
102	A	398	TYR	0	-0.021	-0.001	52.719	0.000	0.000	0.000	0.000	0.000	0.000
103	A	399	ILE	0	-0.037	-0.022	50.149	-0.001	-0.001	0.000	0.000	0.000	0.000
104	A	400	SER	0	0.024	0.001	53.896	0.001	0.001	0.000	0.000	0.000	0.000
105	A	401	SER	0	-0.089	-0.029	57.138	0.000	0.000	0.000	0.000	0.000	0.000
106	A	402	ARG	1	0.911	0.943	60.802	0.018	0.018	0.000	0.000	0.000	0.000
107	A	403	GLU	-1	-0.916	-0.946	62.990	-0.013	-0.013	0.000	0.000	0.000	0.000
108	A	404	LYS	1	0.967	0.986	64.005	0.010	0.010	0.000	0.000	0.000	0.000
109	A	405	ASP	-1	-0.946	-0.971	62.782	-0.011	-0.011	0.000	0.000	0.000	0.000
110	A	406	GLY	0	0.022	0.032	63.098	0.000	0.000	0.000	0.000	0.000	0.000
111	A	407	PHE	0	-0.021	-0.030	56.293	0.000	0.000	0.000	0.000	0.000	0.000
112	A	408	LEU	0	0.017	0.001	53.679	0.000	0.000	0.000	0.000	0.000	0.000
113	A	409	LEU	0	-0.074	-0.027	51.281	0.000	0.000	0.000	0.000	0.000	0.000
114	A	410	THR	0	0.027	0.010	51.179	0.000	0.000	0.000	0.000	0.000	0.000
115	A	411	GLU	-1	-0.848	-0.950	46.017	-0.020	-0.020	0.000	0.000	0.000	0.000
116	A	412	ASP	-1	-0.833	-0.899	46.142	-0.018	-0.018	0.000	0.000	0.000	0.000
117	A	413	ASP	-1	-0.801	-0.899	46.937	-0.020	-0.020	0.000	0.000	0.000	0.000
118	A	414	LEU	0	-0.046	-0.029	45.594	-0.002	-0.002	0.000	0.000	0.000	0.000
119	A	415	TRP	0	-0.020	-0.030	38.399	-0.004	-0.004	0.000	0.000	0.000	0.000
120	A	416	ASP	-1	-0.863	-0.928	42.670	-0.024	-0.024	0.000	0.000	0.000	0.000
121	A	417	ILE	0	-0.003	-0.012	44.611	-0.002	-0.002	0.000	0.000	0.000	0.000
122	A	418	VAL	0	0.007	0.018	38.860	-0.002	-0.002	0.000	0.000	0.000	0.000
123	A	419	SER	0	-0.029	-0.022	40.046	-0.002	-0.002	0.000	0.000	0.000	0.000
124	A	420	LEU	0	-0.051	-0.026	41.122	-0.001	-0.001	0.000	0.000	0.000	0.000
125	A	421	ASP	-1	-0.748	-0.811	40.996	-0.044	-0.044	0.000	0.000	0.000	0.000
126	A	422	ILE	0	-0.007	0.008	36.458	-0.002	-0.002	0.000	0.000	0.000	0.000
127	A	423	GLU	-1	-0.905	-0.960	39.461	-0.032	-0.032	0.000	0.000	0.000	0.000
128	A	424	PHE	0	0.005	-0.004	41.310	0.000	0.000	0.000	0.000	0.000	0.000
129	A	425	HIS	1	0.888	0.941	39.463	0.047	0.047	0.000	0.000	0.000	0.000
130	A	426	SER	0	0.004	0.005	38.031	-0.003	-0.003	0.000	0.000	0.000	0.000
131	A	427	LEU	0	-0.049	-0.006	39.748	-0.001	-0.001	0.000	0.000	0.000	0.000
132	A	428	VAL	0	0.063	0.023	42.928	0.000	0.000	0.000	0.000	0.000	0.000
133	A	429	ASN	0	-0.005	0.004	37.397	-0.004	-0.004	0.000	0.000	0.000	0.000
134	A	430	LYS	1	0.911	0.956	37.082	0.052	0.052	0.000	0.000	0.000	0.000
135	A	431	LYS	1	0.957	0.970	41.772	0.037	0.037	0.000	0.000	0.000	0.000
136	A	432	ASP	-1	-0.874	-0.939	42.364	-0.045	-0.045	0.000	0.000	0.000	0.000
137	A	433	TYR	0	-0.107	-0.055	37.908	-0.002	-0.002	0.000	0.000	0.000	0.000
138	A	434	VAL	0	0.028	0.007	41.791	0.000	0.000	0.000	0.000	0.000	0.000
139	A	435	GLN	0	0.010	0.006	44.783	0.000	0.000	0.000	0.000	0.000	0.000
140	A	436	ARG	1	0.926	0.962	38.258	0.059	0.059	0.000	0.000	0.000	0.000
141	A	437	PHE	0	0.021	0.018	42.295	-0.001	-0.001	0.000	0.000	0.000	0.000
142	A	438	TYR	0	0.012	-0.021	44.650	0.001	0.001	0.000	0.000	0.000	0.000
143	A	439	ALA	0	-0.008	-0.015	48.020	0.001	0.001	0.000	0.000	0.000	0.000
144	A	440	GLU	-1	-0.998	-0.989	42.435	-0.052	-0.052	0.000	0.000	0.000	0.000
145	A	441	LEU	0	0.019	0.003	46.789	0.001	0.001	0.000	0.000	0.000	0.000
146	A	442	HIS	0	-0.089	-0.024	48.726	0.001	0.001	0.000	0.000	0.000	0.000
147	A	443	ILE	0	-0.042	-0.033	51.897	0.002	0.002	0.000	0.000	0.000	0.000
148	A	444	ASP	-1	-0.931	-0.955	53.924	-0.026	-0.026	0.000	0.000	0.000	0.000
149	A	445	ASP	-1	-0.752	-0.846	55.184	-0.023	-0.023	0.000	0.000	0.000	0.000
150	A	446	PRO	0	0.018	-0.006	57.013	0.000	0.000	0.000	0.000	0.000	0.000
151	A	447	ILE	0	0.021	0.022	55.834	0.000	0.000	0.000	0.000	0.000	0.000
152	A	448	VAL	0	-0.004	-0.007	51.687	0.000	0.000	0.000	0.000	0.000	0.000
153	A	449	THR	0	-0.005	0.003	54.807	-0.001	-0.001	0.000	0.000	0.000	0.000
154	A	450	GLU	-1	-0.950	-0.964	56.752	-0.021	-0.021	0.000	0.000	0.000	0.000
155	A	451	TYR	0	-0.034	-0.031	51.046	0.000	0.000	0.000	0.000	0.000	0.000
156	A	452	PHE	0	-0.042	-0.038	49.141	0.000	0.000	0.000	0.000	0.000	0.000
157	A	453	LYS	1	0.919	0.987	54.343	0.022	0.022	0.000	0.000	0.000	0.000
158	A	454	ASN	0	-0.028	-0.029	57.727	0.000	0.000	0.000	0.000	0.000	0.000
159	A	455	GLN	0	-0.041	-0.008	51.750	0.001	0.001	0.000	0.000	0.000	0.000
160	A	456	NME	0	0.004	0.014	54.965	-0.001	-0.001	0.000	0.000	0.000	0.000
161	A	463	ACE	0	0.027	0.007	50.140	0.000	0.000	0.000	0.000	0.000	0.000
162	A	464	ASN	0	-0.053	-0.045	46.981	-0.001	-0.001	0.000	0.000	0.000	0.000
163	A	465	SER	0	0.059	0.046	48.927	0.000	0.000	0.000	0.000	0.000	0.000
164	A	466	LEU	0	0.017	0.017	44.966	0.000	0.000	0.000	0.000	0.000	0.000
165	A	467	GLN	0	-0.003	-0.005	43.243	-0.002	-0.002	0.000	0.000	0.000	0.000
166	A	468	ASP	-1	-0.774	-0.884	46.476	-0.023	-0.023	0.000	0.000	0.000	0.000
167	A	469	ILE	0	-0.021	-0.009	49.415	0.000	0.000	0.000	0.000	0.000	0.000
168	A	470	TYR	0	-0.043	-0.015	41.574	-0.001	-0.001	0.000	0.000	0.000	0.000
169	A	471	ASP	-1	-0.804	-0.913	45.737	-0.029	-0.029	0.000	0.000	0.000	0.000
170	A	472	TYR	0	-0.137	-0.066	47.873	0.001	0.001	0.000	0.000	0.000	0.000
171	A	473	LEU	0	-0.021	-0.017	48.292	0.001	0.001	0.000	0.000	0.000	0.000
172	A	474	GLU	-1	-0.944	-0.960	43.149	-0.034	-0.034	0.000	0.000	0.000	0.000
173	A	475	PHE	0	-0.092	-0.061	47.270	0.001	0.001	0.000	0.000	0.000	0.000
174	A	476	LYS	1	0.884	0.958	50.084	0.023	0.023	0.000	0.000	0.000	0.000
175	A	477	TYR	0	-0.031	-0.065	50.193	0.001	0.001	0.000	0.000	0.000	0.000
176	A	478	ALA	0	0.034	0.033	47.515	-0.002	-0.002	0.000	0.000	0.000	0.000
177	A	479	ASN	0	-0.078	-0.060	46.897	-0.002	-0.002	0.000	0.000	0.000	0.000
178	A	480	GLU	-1	-0.871	-0.948	47.713	-0.029	-0.029	0.000	0.000	0.000	0.000
179	A	481	ILE	0	0.005	0.003	44.268	-0.002	-0.002	0.000	0.000	0.000	0.000
180	A	482	ASN	0	-0.116	-0.047	42.430	-0.003	-0.003	0.000	0.000	0.000	0.000
181	A	483	GLU	-1	-1.025	-0.997	42.596	-0.037	-0.037	0.000	0.000	0.000	0.000
182	A	484	MET	0	-0.040	0.005	42.278	-0.002	-0.002	0.000	0.000	0.000	0.000
183	A	485	NME	0	-0.007	0.002	39.619	-0.002	-0.002	0.000	0.000	0.000	0.000
184	A	500	ACE	0	0.078	0.033	47.457	0.000	0.000	0.000	0.000	0.000	0.000
185	A	501	SER	0	-0.094	-0.065	48.226	0.001	0.001	0.000	0.000	0.000	0.000
186	A	502	TYR	0	0.031	-0.026	50.947	0.001	0.001	0.000	0.000	0.000	0.000
187	A	503	GLU	-1	-0.816	-0.911	50.928	-0.024	-0.024	0.000	0.000	0.000	0.000
188	A	504	LYS	1	0.864	0.929	50.424	0.024	0.024	0.000	0.000	0.000	0.000
189	A	505	PHE	0	0.012	0.009	54.059	0.001	0.001	0.000	0.000	0.000	0.000
190	A	506	LYS	1	0.957	0.977	56.304	0.020	0.020	0.000	0.000	0.000	0.000
191	A	507	ALA	0	-0.022	0.001	56.682	0.000	0.000	0.000	0.000	0.000	0.000
192	A	508	SER	0	-0.031	-0.007	58.497	0.001	0.001	0.000	0.000	0.000	0.000
193	A	509	PRO	0	0.077	0.030	60.291	0.000	0.000	0.000	0.000	0.000	0.000
194	A	510	LEU	0	-0.017	-0.024	61.898	0.000	0.000	0.000	0.000	0.000	0.000
195	A	511	TYR	0	-0.043	-0.007	59.972	0.000	0.000	0.000	0.000	0.000	0.000
196	A	512	GLN	0	-0.007	-0.004	63.043	-0.001	-0.001	0.000	0.000	0.000	0.000
197	A	513	ALA	0	0.010	-0.009	66.267	0.000	0.000	0.000	0.000	0.000	0.000
198	A	514	VAL	0	-0.025	-0.018	62.037	0.000	0.000	0.000	0.000	0.000	0.000
199	A	515	SER	0	-0.015	-0.007	65.419	0.000	0.000	0.000	0.000	0.000	0.000
200	A	516	ASP	-1	-0.883	-0.938	67.411	-0.012	-0.012	0.000	0.000	0.000	0.000
201	A	517	ILE	0	-0.072	-0.020	65.616	0.001	0.001	0.000	0.000	0.000	0.000
202	A	518	GLY	0	0.035	0.029	69.625	0.000	0.000	0.000	0.000	0.000	0.000
203	A	519	ILE	0	-0.004	-0.004	67.735	0.000	0.000	0.000	0.000	0.000	0.000
204	A	520	SER	0	0.044	0.036	63.861	0.000	0.000	0.000	0.000	0.000	0.000
205	A	521	ALA	0	0.052	0.009	60.468	0.000	0.000	0.000	0.000	0.000	0.000
206	A	522	GLU	-1	-0.919	-0.978	59.454	-0.019	-0.019	0.000	0.000	0.000	0.000
207	A	523	ASP	-1	-0.838	-0.908	62.513	-0.015	-0.015	0.000	0.000	0.000	0.000
208	A	524	VAL	0	-0.048	-0.029	64.100	0.000	0.000	0.000	0.000	0.000	0.000
209	A	525	GLY	0	0.008	0.002	62.314	0.000	0.000	0.000	0.000	0.000	0.000
210	A	526	GLU	-1	-0.938	-0.977	63.183	-0.017	-0.017	0.000	0.000	0.000	0.000
211	A	527	ASN	0	0.012	0.019	65.625	0.000	0.000	0.000	0.000	0.000	0.000
212	A	528	ILE	0	-0.014	-0.015	63.530	0.000	0.000	0.000	0.000	0.000	0.000
213	A	529	SER	0	-0.086	-0.028	63.463	0.000	0.000	0.000	0.000	0.000	0.000
214	A	530	SER	0	0.005	-0.006	65.262	0.000	0.000	0.000	0.000	0.000	0.000
215	A	531	GLN	0	-0.114	-0.048	68.561	0.001	0.001	0.000	0.000	0.000	0.000
216	A	532	HIS	0	-0.060	-0.041	70.076	0.001	0.001	0.000	0.000	0.000	0.000
217	A	533	GLN	0	0.036	0.010	71.555	0.000	0.000	0.000	0.000	0.000	0.000
218	A	534	ILE	0	-0.031	-0.012	69.490	0.000	0.000	0.000	0.000	0.000	0.000
219	A	535	HIS	0	-0.046	-0.011	68.523	0.000	0.000	0.000	0.000	0.000	0.000
220	A	536	PRO	0	-0.026	-0.023	71.970	0.000	0.000	0.000	0.000	0.000	0.000
221	A	537	PRO	0	-0.030	0.002	71.581	0.000	0.000	0.000	0.000	0.000	0.000
222	A	538	VAL	0	-0.035	-0.006	73.210	0.000	0.000	0.000	0.000	0.000	0.000
223	A	539	ASP	-1	-0.876	-0.943	74.266	-0.010	-0.010	0.000	0.000	0.000	0.000
224	A	540	HIS	0	0.033	0.015	74.077	0.000	0.000	0.000	0.000	0.000	0.000
225	A	541	PRO	0	-0.016	-0.020	76.511	0.000	0.000	0.000	0.000	0.000	0.000
226	A	542	SER	0	-0.052	-0.029	79.348	0.000	0.000	0.000	0.000	0.000	0.000
227	A	543	SER	0	0.002	0.015	76.460	0.000	0.000	0.000	0.000	0.000	0.000
228	A	544	LYS	1	0.973	0.999	76.179	0.007	0.007	0.000	0.000	0.000	0.000
229	A	545	PRO	0	0.057	0.026	70.670	0.000	0.000	0.000	0.000	0.000	0.000
230	A	546	VAL	0	-0.001	-0.013	71.802	0.000	0.000	0.000	0.000	0.000	0.000
231	A	547	GLU	-1	-0.860	-0.925	72.839	-0.008	-0.008	0.000	0.000	0.000	0.000
232	A	548	VAL	0	0.038	0.027	70.458	0.000	0.000	0.000	0.000	0.000	0.000
233	A	549	ILE	0	-0.030	-0.018	67.178	0.000	0.000	0.000	0.000	0.000	0.000
234	A	550	GLU	-1	-0.923	-0.975	70.019	-0.008	-0.008	0.000	0.000	0.000	0.000
235	A	551	SER	0	-0.069	-0.041	72.298	0.000	0.000	0.000	0.000	0.000	0.000
236	A	552	ILE	0	-0.012	-0.003	66.936	0.000	0.000	0.000	0.000	0.000	0.000
237	A	553	LEU	0	-0.045	-0.019	66.173	0.000	0.000	0.000	0.000	0.000	0.000
238	A	554	ASN	0	-0.018	-0.008	69.061	0.000	0.000	0.000	0.000	0.000	0.000
239	A	555	ALA	0	-0.079	-0.023	71.387	0.000	0.000	0.000	0.000	0.000	0.000
240	A	556	ASN	0	-0.051	-0.041	66.182	-0.001	-0.001	0.000	0.000	0.000	0.000
241	A	557	SER	0	-0.012	-0.002	66.781	0.000	0.000	0.000	0.000	0.000	0.000
242	A	558	GLY	0	-0.041	-0.015	65.706	0.000	0.000	0.000	0.000	0.000	0.000
243	A	559	ASP	-1	-0.885	-0.937	61.819	-0.013	-0.013	0.000	0.000	0.000	0.000
244	A	560	LEU	0	-0.034	-0.014	61.767	0.000	0.000	0.000	0.000	0.000	0.000
245	A	561	GLN	0	0.093	0.042	61.573	0.001	0.001	0.000	0.000	0.000	0.000
246	A	562	VAL	0	-0.094	-0.046	61.216	0.000	0.000	0.000	0.000	0.000	0.000
247	A	563	PHE	0	0.041	0.003	59.525	0.000	0.000	0.000	0.000	0.000	0.000
248	A	564	THR	0	0.050	0.007	62.686	0.000	0.000	0.000	0.000	0.000	0.000
249	A	565	SER	0	-0.023	-0.012	63.937	0.000	0.000	0.000	0.000	0.000	0.000
250	A	566	ASN	0	0.030	0.024	62.354	0.000	0.000	0.000	0.000	0.000	0.000
251	A	567	THR	0	-0.064	-0.007	65.226	0.000	0.000	0.000	0.000	0.000	0.000
252	A	568	LYS	1	0.962	0.965	65.820	0.007	0.007	0.000	0.000	0.000	0.000
253	A	569	LEU	0	-0.011	0.007	59.384	0.000	0.000	0.000	0.000	0.000	0.000
254	A	570	ALA	0	0.050	0.024	62.457	-0.001	-0.001	0.000	0.000	0.000	0.000
255	A	571	ILE	0	0.031	0.017	63.644	-0.001	-0.001	0.000	0.000	0.000	0.000
256	A	572	ASP	-1	-0.868	-0.942	61.797	-0.009	-0.009	0.000	0.000	0.000	0.000
257	A	573	THR	0	-0.050	-0.021	58.502	-0.001	-0.001	0.000	0.000	0.000	0.000
258	A	574	VAL	0	0.014	0.012	60.100	-0.001	-0.001	0.000	0.000	0.000	0.000
259	A	575	GLN	0	0.028	0.008	62.032	0.000	0.000	0.000	0.000	0.000	0.000
260	A	576	LYS	1	0.894	0.957	56.685	0.011	0.011	0.000	0.000	0.000	0.000
261	A	577	TYR	0	0.005	-0.015	53.600	-0.001	-0.001	0.000	0.000	0.000	0.000
262	A	578	TYR	0	0.044	0.033	58.123	0.000	0.000	0.000	0.000	0.000	0.000
263	A	579	SER	0	-0.021	-0.033	58.707	0.000	0.000	0.000	0.000	0.000	0.000
264	A	580	LEU	0	-0.081	-0.036	52.197	0.000	0.000	0.000	0.000	0.000	0.000
265	A	581	GLU	-1	-0.756	-0.857	55.639	-0.018	-0.018	0.000	0.000	0.000	0.000
266	A	582	LEU	0	-0.007	0.010	57.531	0.000	0.000	0.000	0.000	0.000	0.000
267	A	583	SER	0	-0.089	-0.055	54.735	0.000	0.000	0.000	0.000	0.000	0.000
268	A	584	LYS	1	0.977	0.987	48.997	0.022	0.022	0.000	0.000	0.000	0.000
269	A	585	ASN	0	0.063	0.044	54.236	-0.001	-0.001	0.000	0.000	0.000	0.000
270	A	586	THR	0	0.062	0.013	53.253	0.001	0.001	0.000	0.000	0.000	0.000
271	A	587	LYS	1	0.978	0.998	55.784	0.019	0.019	0.000	0.000	0.000	0.000
272	A	588	ILE	0	-0.018	-0.002	58.933	0.001	0.001	0.000	0.000	0.000	0.000
273	A	589	ARG	1	0.785	0.886	50.412	0.021	0.021	0.000	0.000	0.000	0.000
274	A	590	GLU	-1	-0.951	-0.971	56.133	-0.019	-0.019	0.000	0.000	0.000	0.000
275	A	591	LYS	1	0.932	0.985	57.042	0.014	0.014	0.000	0.000	0.000	0.000
276	A	592	VAL	0	0.041	0.015	57.263	0.001	0.001	0.000	0.000	0.000	0.000
277	A	593	ARG	1	0.812	0.914	50.767	0.022	0.022	0.000	0.000	0.000	0.000
278	A	594	SER	0	-0.081	-0.042	56.217	0.000	0.000	0.000	0.000	0.000	0.000
279	A	595	ASP	-1	-0.790	-0.887	58.491	-0.013	-0.013	0.000	0.000	0.000	0.000
280	A	596	PHE	0	0.027	0.002	55.151	0.001	0.001	0.000	0.000	0.000	0.000
281	A	597	SER	0	-0.063	-0.030	54.898	0.000	0.000	0.000	0.000	0.000	0.000
282	A	598	LYS	1	0.899	0.955	56.562	0.015	0.015	0.000	0.000	0.000	0.000
283	A	599	TYR	0	-0.054	-0.033	59.670	0.001	0.001	0.000	0.000	0.000	0.000
284	A	600	TYR	0	0.009	0.024	54.911	0.000	0.000	0.000	0.000	0.000	0.000
285	A	601	LEU	0	-0.045	-0.025	59.187	0.000	0.000	0.000	0.000	0.000	0.000
286	A	602	ALA	0	0.006	-0.007	55.193	0.000	0.000	0.000	0.000	0.000	0.000
287	A	603	ASP	-1	-0.814	-0.902	57.055	-0.005	-0.005	0.000	0.000	0.000	0.000
288	A	604	VAL	0	-0.002	-0.002	54.544	0.000	0.000	0.000	0.000	0.000	0.000
289	A	605	VAL	0	-0.016	0.004	55.075	0.000	0.000	0.000	0.000	0.000	0.000
290	A	606	LEU	0	-0.007	-0.006	54.276	0.000	0.000	0.000	0.000	0.000	0.000
291	A	607	THR	0	0.015	0.010	51.047	0.000	0.000	0.000	0.000	0.000	0.000
292	A	608	ALA	0	0.023	-0.010	54.140	0.000	0.000	0.000	0.000	0.000	0.000
293	A	609	LYS	1	0.947	0.973	46.804	-0.006	-0.006	0.000	0.000	0.000	0.000
294	A	610	GLY	0	0.092	0.048	52.313	0.000	0.000	0.000	0.000	0.000	0.000
295	A	611	LYS	1	0.889	0.948	53.516	-0.002	-0.002	0.000	0.000	0.000	0.000
296	A	612	LYS	1	0.855	0.941	55.466	-0.007	-0.007	0.000	0.000	0.000	0.000
297	A	613	GLU	-1	-0.903	-0.960	50.802	0.007	0.007	0.000	0.000	0.000	0.000
298	A	614	ILE	0	0.005	0.028	53.517	0.000	0.000	0.000	0.000	0.000	0.000
299	A	615	GLN	0	-0.024	-0.027	55.507	0.001	0.001	0.000	0.000	0.000	0.000
300	A	616	LYS	1	0.889	0.932	58.109	-0.004	-0.004	0.000	0.000	0.000	0.000
301	A	617	GLY	0	0.011	0.030	56.819	0.000	0.000	0.000	0.000	0.000	0.000
302	A	618	SER	0	0.030	0.020	51.577	0.000	0.000	0.000	0.000	0.000	0.000
303	A	619	LEU	0	0.025	0.019	50.926	0.000	0.000	0.000	0.000	0.000	0.000
304	A	620	TYR	0	-0.016	-0.035	48.631	-0.001	-0.001	0.000	0.000	0.000	0.000
305	A	621	GLU	-1	-0.965	-0.985	55.323	0.002	0.002	0.000	0.000	0.000	0.000
306	A	622	ASP	-1	-0.901	-0.949	57.648	-0.001	-0.001	0.000	0.000	0.000	0.000
307	A	623	ILE	0	-0.049	-0.037	53.235	-0.001	-0.001	0.000	0.000	0.000	0.000
308	A	624	LYS	1	0.904	0.970	56.836	-0.003	-0.003	0.000	0.000	0.000	0.000
309	A	625	TYR	0	-0.066	-0.068	58.027	0.000	0.000	0.000	0.000	0.000	0.000
310	A	626	ALA	0	0.009	0.004	57.701	0.000	0.000	0.000	0.000	0.000	0.000
311	A	627	ILE	0	0.005	0.013	59.199	0.000	0.000	0.000	0.000	0.000	0.000
312	A	628	ASN	0	-0.045	-0.044	61.318	0.000	0.000	0.000	0.000	0.000	0.000
313	A	629	ARG	1	0.880	0.971	57.732	0.005	0.005	0.000	0.000	0.000	0.000
314	A	630	THR	0	0.070	0.024	58.902	-0.001	-0.001	0.000	0.000	0.000	0.000
315	A	631	PRO	0	0.048	0.011	56.600	0.000	0.000	0.000	0.000	0.000	0.000
316	A	632	MET	0	-0.045	-0.026	57.114	0.000	0.000	0.000	0.000	0.000	0.000
317	A	633	HIS	0	0.022	0.009	58.890	0.000	0.000	0.000	0.000	0.000	0.000
318	A	634	PHE	0	0.020	0.008	53.499	0.000	0.000	0.000	0.000	0.000	0.000
319	A	635	ARG	1	0.973	1.000	53.726	0.012	0.012	0.000	0.000	0.000	0.000
320	A	636	ARG	1	0.899	0.957	55.179	0.007	0.007	0.000	0.000	0.000	0.000
321	A	637	ASP	-1	-0.915	-0.949	54.819	-0.006	-0.006	0.000	0.000	0.000	0.000
322	A	638	PRO	0	0.019	0.006	50.057	0.000	0.000	0.000	0.000	0.000	0.000
323	A	639	ASP	-1	-0.800	-0.932	49.215	-0.006	-0.006	0.000	0.000	0.000	0.000
324	A	640	VAL	0	-0.018	-0.006	49.983	0.001	0.001	0.000	0.000	0.000	0.000
325	A	641	PHE	0	0.018	-0.004	48.280	0.001	0.001	0.000	0.000	0.000	0.000
326	A	642	LEU	0	0.015	0.011	44.977	0.000	0.000	0.000	0.000	0.000	0.000
327	A	643	LYS	1	0.924	0.978	46.857	0.003	0.003	0.000	0.000	0.000	0.000
328	A	644	MET	0	-0.065	-0.033	48.394	0.001	0.001	0.000	0.000	0.000	0.000
329	A	645	VAL	0	0.007	0.010	43.879	0.000	0.000	0.000	0.000	0.000	0.000
330	A	646	GLU	-1	-0.877	-0.933	42.006	-0.001	-0.001	0.000	0.000	0.000	0.000
331	A	647	ALA	0	-0.009	-0.020	44.771	0.001	0.001	0.000	0.000	0.000	0.000
332	A	648	GLU	-1	-0.855	-0.938	46.490	-0.007	-0.007	0.000	0.000	0.000	0.000
333	A	649	SER	0	-0.009	0.015	41.125	0.000	0.000	0.000	0.000	0.000	0.000
334	A	650	LEU	0	-0.068	-0.008	42.429	0.002	0.002	0.000	0.000	0.000	0.000
335	A	651	ASN	0	-0.075	-0.044	43.743	0.001	0.001	0.000	0.000	0.000	0.000
336	A	652	LEU	0	-0.032	-0.026	46.880	0.001	0.001	0.000	0.000	0.000	0.000
337	A	653	LEU	0	-0.073	-0.032	49.578	0.000	0.000	0.000	0.000	0.000	0.000
338	A	654	SER	0	0.014	-0.002	49.636	0.000	0.000	0.000	0.000	0.000	0.000
339	A	655	VAL	0	-0.011	0.015	49.831	0.000	0.000	0.000	0.000	0.000	0.000
340	A	656	LYS	1	0.912	0.971	51.907	0.005	0.005	0.000	0.000	0.000	0.000
341	A	657	LEU	0	-0.002	0.006	51.986	0.000	0.000	0.000	0.000	0.000	0.000
342	A	658	HIS	0	-0.037	-0.030	55.641	0.000	0.000	0.000	0.000	0.000	0.000
343	A	659	MET	0	0.041	0.023	58.870	0.000	0.000	0.000	0.000	0.000	0.000
344	A	660	SER	0	-0.013	-0.001	61.666	0.000	0.000	0.000	0.000	0.000	0.000
345	A	661	SER	0	0.007	0.002	65.095	0.001	0.001	0.000	0.000	0.000	0.000
346	A	662	GLN	0	0.042	0.024	59.734	0.000	0.000	0.000	0.000	0.000	0.000
347	A	663	ALA	0	0.035	0.005	64.519	0.000	0.000	0.000	0.000	0.000	0.000
348	A	664	GLN	0	0.024	-0.004	66.791	0.000	0.000	0.000	0.000	0.000	0.000
349	A	665	TYR	0	-0.049	-0.042	62.414	0.000	0.000	0.000	0.000	0.000	0.000
350	A	666	ILE	0	0.022	0.011	62.024	0.000	0.000	0.000	0.000	0.000	0.000
351	A	667	GLU	-1	-0.975	-0.990	66.052	-0.008	-0.008	0.000	0.000	0.000	0.000
352	A	668	HIS	0	0.004	0.011	69.475	0.000	0.000	0.000	0.000	0.000	0.000
353	A	669	LEU	0	0.007	-0.012	64.019	0.000	0.000	0.000	0.000	0.000	0.000
354	A	670	PHE	0	0.002	0.008	68.043	0.000	0.000	0.000	0.000	0.000	0.000
355	A	671	GLN	0	-0.021	-0.011	69.225	0.000	0.000	0.000	0.000	0.000	0.000
356	A	672	ILE	0	-0.025	-0.006	69.402	0.000	0.000	0.000	0.000	0.000	0.000
357	A	673	ALA	0	-0.047	-0.014	67.324	0.000	0.000	0.000	0.000	0.000	0.000
358	A	674	LEU	0	-0.039	-0.040	66.385	0.000	0.000	0.000	0.000	0.000	0.000
359	A	675	GLU	-1	-0.976	-0.962	70.518	-0.008	-0.008	0.000	0.000	0.000	0.000
360	A	676	THR	0	0.040	0.027	73.690	0.000	0.000	0.000	0.000	0.000	0.000
361	A	677	THR	0	-0.010	-0.013	76.812	0.000	0.000	0.000	0.000	0.000	0.000
362	A	678	ASN	0	-0.026	-0.014	79.606	0.000	0.000	0.000	0.000	0.000	0.000
363	A	679	THR	0	0.023	-0.004	81.113	0.000	0.000	0.000	0.000	0.000	0.000
364	A	680	SER	0	-0.029	0.003	82.159	0.000	0.000	0.000	0.000	0.000	0.000
365	A	681	ASP	-1	-0.824	-0.930	81.590	-0.007	-0.007	0.000	0.000	0.000	0.000
366	A	682	ILE	0	-0.056	-0.026	78.068	0.000	0.000	0.000	0.000	0.000	0.000
367	A	683	ALA	0	0.061	0.029	77.536	0.000	0.000	0.000	0.000	0.000	0.000
368	A	684	ILE	0	-0.016	0.001	76.993	0.000	0.000	0.000	0.000	0.000	0.000
369	A	685	GLU	-1	-0.928	-0.987	75.267	-0.007	-0.007	0.000	0.000	0.000	0.000
370	A	686	TRP	0	-0.008	-0.014	69.740	0.000	0.000	0.000	0.000	0.000	0.000
371	A	687	ASN	0	0.026	0.019	72.074	-0.001	-0.001	0.000	0.000	0.000	0.000
372	A	688	ASN	0	-0.019	-0.020	71.988	0.000	0.000	0.000	0.000	0.000	0.000
373	A	689	PHE	0	-0.034	-0.010	65.896	0.000	0.000	0.000	0.000	0.000	0.000
374	A	690	ARG	1	0.871	0.922	67.636	0.010	0.010	0.000	0.000	0.000	0.000
375	A	691	LYS	1	0.948	0.993	67.060	0.008	0.008	0.000	0.000	0.000	0.000
376	A	692	LEU	0	-0.058	-0.020	65.887	0.000	0.000	0.000	0.000	0.000	0.000
377	A	693	ALA	0	0.010	0.003	63.146	0.000	0.000	0.000	0.000	0.000	0.000
378	A	694	PHE	0	0.057	0.033	62.264	-0.001	-0.001	0.000	0.000	0.000	0.000
379	A	695	ASN	0	0.026	0.002	62.637	-0.001	-0.001	0.000	0.000	0.000	0.000
380	A	696	GLN	0	-0.028	-0.004	58.618	0.000	0.000	0.000	0.000	0.000	0.000
381	A	697	ALA	0	-0.010	-0.008	58.120	0.000	0.000	0.000	0.000	0.000	0.000
382	A	698	MET	0	0.015	0.006	57.793	-0.001	-0.001	0.000	0.000	0.000	0.000
383	A	699	ASP	-1	-0.914	-0.951	57.836	-0.010	-0.010	0.000	0.000	0.000	0.000
384	A	700	LYS	1	0.854	0.932	53.754	0.014	0.014	0.000	0.000	0.000	0.000
385	A	701	ILE	0	0.033	0.024	53.621	-0.001	-0.001	0.000	0.000	0.000	0.000
386	A	702	PHE	0	-0.007	-0.014	54.306	0.000	0.000	0.000	0.000	0.000	0.000
387	A	703	GLN	0	-0.041	-0.008	49.806	0.001	0.001	0.000	0.000	0.000	0.000
388	A	704	ASP	-1	-0.852	-0.929	49.864	-0.019	-0.019	0.000	0.000	0.000	0.000
389	A	705	ILE	0	-0.015	-0.016	50.063	-0.001	-0.001	0.000	0.000	0.000	0.000
390	A	706	SER	0	-0.024	-0.009	52.205	0.000	0.000	0.000	0.000	0.000	0.000
391	A	707	GLN	0	0.040	0.012	44.285	0.002	0.002	0.000	0.000	0.000	0.000
392	A	708	GLU	-1	-0.802	-0.893	47.352	-0.022	-0.022	0.000	0.000	0.000	0.000
393	A	709	VAL	0	-0.049	-0.028	48.355	-0.001	-0.001	0.000	0.000	0.000	0.000
394	A	710	LYS	1	0.892	0.942	46.991	0.011	0.011	0.000	0.000	0.000	0.000
395	A	711	ASP	-1	-0.885	-0.935	44.167	-0.019	-0.019	0.000	0.000	0.000	0.000
396	A	712	ASN	0	-0.085	-0.066	45.164	-0.002	-0.002	0.000	0.000	0.000	0.000
397	A	713	LEU	0	-0.016	0.009	47.150	0.000	0.000	0.000	0.000	0.000	0.000
398	A	714	THR	0	0.056	0.025	43.237	0.001	0.001	0.000	0.000	0.000	0.000
399	A	715	LYS	1	0.957	0.985	42.709	0.027	0.027	0.000	0.000	0.000	0.000
400	A	716	ASN	0	-0.099	-0.055	44.176	0.001	0.001	0.000	0.000	0.000	0.000
401	A	717	CYS	0	0.025	0.013	47.352	0.001	0.001	0.000	0.000	0.000	0.000
402	A	718	GLN	0	0.015	0.006	40.139	-0.001	-0.001	0.000	0.000	0.000	0.000
403	A	719	LYS	1	0.919	0.960	42.070	0.025	0.025	0.000	0.000	0.000	0.000
404	A	720	LEU	0	0.016	0.014	44.881	0.000	0.000	0.000	0.000	0.000	0.000
405	A	721	VAL	0	0.001	0.008	44.298	0.001	0.001	0.000	0.000	0.000	0.000
406	A	722	ALA	0	0.011	-0.002	41.898	0.001	0.001	0.000	0.000	0.000	0.000
407	A	723	LYS	1	0.914	0.967	43.348	0.019	0.019	0.000	0.000	0.000	0.000
408	A	724	THR	0	-0.015	0.005	46.061	0.001	0.001	0.000	0.000	0.000	0.000
409	A	725	VAL	0	-0.022	-0.020	41.048	0.001	0.001	0.000	0.000	0.000	0.000
410	A	726	ARG	1	0.867	0.923	42.322	0.020	0.020	0.000	0.000	0.000	0.000
411	A	727	HIS	0	-0.029	-0.027	43.464	0.001	0.001	0.000	0.000	0.000	0.000
412	A	728	LYS	1	0.935	0.973	45.767	0.004	0.004	0.000	0.000	0.000	0.000
413	A	729	PHE	0	0.000	0.006	38.075	0.001	0.001	0.000	0.000	0.000	0.000
414	A	730	MET	0	0.039	0.024	43.356	0.000	0.000	0.000	0.000	0.000	0.000
415	A	731	THR	0	-0.045	-0.034	44.838	0.001	0.001	0.000	0.000	0.000	0.000
416	A	732	LYS	1	0.866	0.949	42.954	0.001	0.001	0.000	0.000	0.000	0.000
417	A	733	LEU	0	-0.052	-0.026	39.764	0.001	0.001	0.000	0.000	0.000	0.000
418	A	734	ASP	-1	-0.863	-0.909	43.758	-0.009	-0.009	0.000	0.000	0.000	0.000
419	A	735	GLN	0	-0.009	0.003	46.484	0.001	0.001	0.000	0.000	0.000	0.000
420	A	736	ALA	0	0.007	0.007	47.031	0.000	0.000	0.000	0.000	0.000	0.000
421	A	737	PRO	0	-0.031	-0.025	46.880	0.001	0.001	0.000	0.000	0.000	0.000
422	A	738	PHE	0	0.004	-0.001	48.945	0.000	0.000	0.000	0.000	0.000	0.000
423	A	739	ILE	0	-0.022	-0.009	51.774	0.000	0.000	0.000	0.000	0.000	0.000
424	A	740	PRO	0	-0.046	-0.018	54.733	0.000	0.000	0.000	0.000	0.000	0.000
425	A	741	ASN	0	-0.016	-0.019	57.552	0.000	0.000	0.000	0.000	0.000	0.000
426	A	742	VAL	0	0.063	0.021	58.634	0.000	0.000	0.000	0.000	0.000	0.000
427	A	743	ARG	1	0.933	0.965	60.101	0.000	0.000	0.000	0.000	0.000	0.000
428	A	744	ASP	-1	-0.939	-0.952	60.622	-0.001	-0.001	0.000	0.000	0.000	0.000
429	A	745	PRO	0	0.040	0.016	56.118	0.001	0.001	0.000	0.000	0.000	0.000
430	A	746	LYS	1	0.912	0.954	54.260	0.000	0.000	0.000	0.000	0.000	0.000
431	A	747	ILE	0	0.073	0.048	47.536	0.001	0.001	0.000	0.000	0.000	0.000
432	A	748	PRO	0	-0.018	0.006	50.583	0.000	0.000	0.000	0.000	0.000	0.000
433	A	749	LYS	1	0.859	0.937	50.360	-0.005	-0.005	0.000	0.000	0.000	0.000
434	A	750	ILE	0	0.051	0.025	47.699	0.000	0.000	0.000	0.000	0.000	0.000
435	A	751	LEU	0	-0.007	-0.009	49.880	0.001	0.001	0.000	0.000	0.000	0.000
436	A	752	SER	0	0.008	-0.004	46.604	0.000	0.000	0.000	0.000	0.000	0.000
437	A	753	LEU	0	-0.020	-0.022	49.272	0.001	0.001	0.000	0.000	0.000	0.000
438	A	754	THR	0	0.056	0.028	46.924	0.000	0.000	0.000	0.000	0.000	0.000
439	A	755	CYS	0	-0.046	-0.016	50.195	0.000	0.000	0.000	0.000	0.000	0.000
440	A	756	GLY	0	0.034	0.015	48.770	0.001	0.001	0.000	0.000	0.000	0.000
441	A	757	GLN	0	0.001	-0.009	47.639	-0.002	-0.002	0.000	0.000	0.000	0.000
442	A	758	GLY	0	0.067	0.035	51.160	-0.001	-0.001	0.000	0.000	0.000	0.000
443	A	759	ARG	1	0.821	0.914	50.488	-0.023	-0.023	0.000	0.000	0.000	0.000
444	A	760	PHE	0	0.027	0.003	56.147	0.001	0.001	0.000	0.000	0.000	0.000
445	A	761	GLY	0	0.019	0.010	57.788	0.000	0.000	0.000	0.000	0.000	0.000
446	A	762	ALA	0	-0.056	-0.020	55.488	0.000	0.000	0.000	0.000	0.000	0.000
447	A	763	ASP	-1	-0.864	-0.930	51.179	0.023	0.023	0.000	0.000	0.000	0.000
448	A	764	ALA	0	-0.052	-0.033	50.385	-0.001	-0.001	0.000	0.000	0.000	0.000
449	A	765	ILE	0	0.012	0.015	51.330	0.000	0.000	0.000	0.000	0.000	0.000
450	A	766	ILE	0	-0.049	-0.021	46.070	0.001	0.001	0.000	0.000	0.000	0.000
451	A	767	ALA	0	0.032	0.016	49.498	-0.001	-0.001	0.000	0.000	0.000	0.000
452	A	768	VAL	0	0.007	-0.006	44.455	0.001	0.001	0.000	0.000	0.000	0.000
453	A	769	TYR	0	0.010	-0.001	47.355	-0.001	-0.001	0.000	0.000	0.000	0.000
454	A	770	VAL	0	0.021	0.019	44.052	0.001	0.001	0.000	0.000	0.000	0.000
455	A	771	ASN	0	0.011	0.006	45.271	-0.001	-0.001	0.000	0.000	0.000	0.000
456	A	772	ARG	1	0.965	0.958	46.872	-0.003	-0.003	0.000	0.000	0.000	0.000
457	A	773	LYS	1	0.927	0.960	41.406	-0.004	-0.004	0.000	0.000	0.000	0.000
458	A	774	GLY	0	0.037	0.032	42.631	-0.001	-0.001	0.000	0.000	0.000	0.000
459	A	775	ASP	-1	-0.906	-0.937	41.195	0.009	0.009	0.000	0.000	0.000	0.000
460	A	776	PHE	0	-0.029	-0.019	40.844	0.000	0.000	0.000	0.000	0.000	0.000
461	A	777	ILE	0	-0.042	-0.008	42.784	0.001	0.001	0.000	0.000	0.000	0.000
462	A	778	ARG	1	0.872	0.927	45.119	-0.017	-0.017	0.000	0.000	0.000	0.000
463	A	779	ASP	-1	-0.852	-0.931	44.329	0.023	0.023	0.000	0.000	0.000	0.000
464	A	780	TYR	0	-0.011	-0.022	46.971	0.000	0.000	0.000	0.000	0.000	0.000
465	A	781	LYS	1	0.980	0.974	48.093	-0.025	-0.025	0.000	0.000	0.000	0.000
466	A	782	ILE	0	0.010	0.016	50.950	0.000	0.000	0.000	0.000	0.000	0.000
467	A	783	VAL	0	-0.016	-0.019	53.879	0.001	0.001	0.000	0.000	0.000	0.000
468	A	784	ASP	-1	-0.858	-0.897	56.183	0.015	0.015	0.000	0.000	0.000	0.000
469	A	785	ASN	0	0.032	-0.004	58.902	0.000	0.000	0.000	0.000	0.000	0.000
470	A	786	PRO	0	0.033	0.021	58.723	-0.001	-0.001	0.000	0.000	0.000	0.000
471	A	787	PHE	0	-0.046	-0.030	60.097	-0.001	-0.001	0.000	0.000	0.000	0.000
472	A	788	ASP	-1	-0.867	-0.940	64.160	0.013	0.013	0.000	0.000	0.000	0.000
473	A	789	LYS	1	0.938	0.966	65.535	-0.012	-0.012	0.000	0.000	0.000	0.000
474	A	790	THR	0	-0.075	-0.028	68.439	0.000	0.000	0.000	0.000	0.000	0.000
475	A	791	ASN	0	-0.017	-0.015	67.190	-0.001	-0.001	0.000	0.000	0.000	0.000
476	A	792	PRO	0	0.025	0.030	66.348	0.000	0.000	0.000	0.000	0.000	0.000
477	A	793	GLU	-1	-0.909	-0.980	65.585	0.010	0.010	0.000	0.000	0.000	0.000
478	A	794	LYS	1	0.929	0.985	63.257	-0.012	-0.012	0.000	0.000	0.000	0.000
479	A	795	PHE	0	0.062	0.025	57.353	0.000	0.000	0.000	0.000	0.000	0.000
480	A	796	GLU	-1	-0.851	-0.942	61.254	0.009	0.009	0.000	0.000	0.000	0.000
481	A	797	ASP	-1	-0.827	-0.912	62.841	0.010	0.010	0.000	0.000	0.000	0.000
482	A	798	THR	0	-0.051	-0.037	57.381	0.000	0.000	0.000	0.000	0.000	0.000
483	A	799	LEU	0	-0.019	-0.011	57.041	0.000	0.000	0.000	0.000	0.000	0.000
484	A	800	ASP	-1	-0.864	-0.947	59.062	0.008	0.008	0.000	0.000	0.000	0.000
485	A	801	ASN	0	0.009	-0.009	59.278	-0.001	-0.001	0.000	0.000	0.000	0.000
486	A	802	ILE	0	-0.058	-0.025	53.862	0.000	0.000	0.000	0.000	0.000	0.000
487	A	803	ILE	0	-0.003	-0.010	56.079	0.000	0.000	0.000	0.000	0.000	0.000
488	A	804	GLN	0	-0.022	0.001	57.960	-0.001	-0.001	0.000	0.000	0.000	0.000
489	A	805	SER	0	-0.087	-0.031	54.495	0.000	0.000	0.000	0.000	0.000	0.000
490	A	806	CYS	0	-0.080	-0.021	51.957	0.000	0.000	0.000	0.000	0.000	0.000
491	A	807	GLN	0	-0.019	0.003	54.424	-0.001	-0.001	0.000	0.000	0.000	0.000
492	A	808	PRO	0	-0.031	-0.014	53.592	-0.001	-0.001	0.000	0.000	0.000	0.000
493	A	809	ASN	0	0.006	-0.019	54.540	0.000	0.000	0.000	0.000	0.000	0.000
494	A	810	ALA	0	0.067	0.036	53.514	-0.001	-0.001	0.000	0.000	0.000	0.000
495	A	811	ILE	0	-0.011	-0.001	53.505	0.001	0.001	0.000	0.000	0.000	0.000
496	A	812	GLY	0	0.047	0.036	50.920	-0.001	-0.001	0.000	0.000	0.000	0.000
497	A	813	ILE	0	-0.078	-0.044	50.783	0.001	0.001	0.000	0.000	0.000	0.000
498	A	814	ASN	0	0.076	0.023	48.204	-0.001	-0.001	0.000	0.000	0.000	0.000
499	A	815	GLY	0	-0.015	-0.021	48.943	0.001	0.001	0.000	0.000	0.000	0.000
500	A	816	PRO	0	-0.006	0.026	47.925	0.000	0.000	0.000	0.000	0.000	0.000
501	A	817	ASN	0	0.048	0.018	49.477	-0.001	-0.001	0.000	0.000	0.000	0.000
502	A	818	PRO	0	0.118	0.039	53.159	0.000	0.000	0.000	0.000	0.000	0.000
503	A	819	LYS	1	0.817	0.916	55.360	-0.016	-0.016	0.000	0.000	0.000	0.000
504	A	820	THR	0	0.075	0.037	52.784	0.000	0.000	0.000	0.000	0.000	0.000
505	A	821	GLN	0	0.053	0.043	55.231	-0.001	-0.001	0.000	0.000	0.000	0.000
506	A	822	LYS	1	0.853	0.918	58.364	-0.010	-0.010	0.000	0.000	0.000	0.000
507	A	823	PHE	0	0.038	0.011	53.801	0.000	0.000	0.000	0.000	0.000	0.000
508	A	824	TYR	0	0.065	0.044	56.878	0.000	0.000	0.000	0.000	0.000	0.000
509	A	825	LYS	1	0.928	0.958	58.939	-0.008	-0.008	0.000	0.000	0.000	0.000
510	A	826	ARG	1	0.815	0.911	61.282	-0.010	-0.010	0.000	0.000	0.000	0.000
511	A	827	LEU	0	0.007	-0.003	56.316	0.000	0.000	0.000	0.000	0.000	0.000
512	A	828	GLN	0	0.050	0.029	60.969	-0.001	-0.001	0.000	0.000	0.000	0.000
513	A	829	GLU	-1	-0.915	-0.946	63.385	0.008	0.008	0.000	0.000	0.000	0.000
514	A	830	VAL	0	-0.010	-0.013	62.358	0.000	0.000	0.000	0.000	0.000	0.000
515	A	831	LEU	0	0.005	0.017	60.093	0.000	0.000	0.000	0.000	0.000	0.000
516	A	832	HIS	0	-0.034	-0.017	64.124	-0.001	-0.001	0.000	0.000	0.000	0.000
517	A	833	LYS	1	0.858	0.941	67.764	-0.008	-0.008	0.000	0.000	0.000	0.000
518	A	834	LYS	1	0.829	0.913	64.825	-0.009	-0.009	0.000	0.000	0.000	0.000
519	A	835	GLN	0	-0.044	-0.009	67.390	0.000	0.000	0.000	0.000	0.000	0.000
520	A	836	ILE	0	0.001	0.007	61.046	0.000	0.000	0.000	0.000	0.000	0.000
521	A	837	VAL	0	-0.059	-0.022	63.873	0.000	0.000	0.000	0.000	0.000	0.000
522	A	838	ASP	-1	-0.874	-0.935	62.096	0.003	0.003	0.000	0.000	0.000	0.000
523	A	839	SER	0	0.016	-0.013	64.024	0.000	0.000	0.000	0.000	0.000	0.000
524	A	840	ARG	1	0.863	0.940	65.806	-0.001	-0.001	0.000	0.000	0.000	0.000
525	A	841	GLY	0	0.016	-0.003	67.385	0.000	0.000	0.000	0.000	0.000	0.000
526	A	842	HIS	0	-0.026	-0.005	65.342	0.000	0.000	0.000	0.000	0.000	0.000
527	A	843	THR	0	0.019	0.007	63.177	0.000	0.000	0.000	0.000	0.000	0.000
528	A	844	ILE	0	0.019	0.024	58.272	0.000	0.000	0.000	0.000	0.000	0.000
529	A	845	PRO	0	-0.006	0.016	57.420	0.000	0.000	0.000	0.000	0.000	0.000
530	A	846	ILE	0	-0.020	-0.026	56.240	0.001	0.001	0.000	0.000	0.000	0.000
531	A	847	ILE	0	-0.015	-0.003	51.778	0.000	0.000	0.000	0.000	0.000	0.000
532	A	848	TYR	0	0.018	-0.006	52.805	0.001	0.001	0.000	0.000	0.000	0.000
533	A	849	VAL	0	-0.015	-0.008	46.911	-0.001	-0.001	0.000	0.000	0.000	0.000
534	A	850	GLU	-1	-0.803	-0.894	44.992	0.007	0.007	0.000	0.000	0.000	0.000
535	A	851	ASP	-1	-0.837	-0.928	44.448	0.013	0.013	0.000	0.000	0.000	0.000
536	A	852	GLU	-1	-0.782	-0.866	41.884	0.005	0.005	0.000	0.000	0.000	0.000
537	A	853	VAL	0	0.019	0.016	37.612	0.001	0.001	0.000	0.000	0.000	0.000
538	A	854	ALA	0	0.023	-0.004	38.579	0.002	0.002	0.000	0.000	0.000	0.000
539	A	855	ILE	0	-0.052	-0.026	39.674	0.003	0.003	0.000	0.000	0.000	0.000
540	A	856	ARG	1	0.849	0.919	35.326	-0.010	-0.010	0.000	0.000	0.000	0.000
541	A	857	TYR	0	-0.011	-0.002	34.188	0.003	0.003	0.000	0.000	0.000	0.000
542	A	858	GLN	0	-0.010	-0.012	34.991	0.003	0.003	0.000	0.000	0.000	0.000
543	A	859	ASN	0	-0.104	-0.047	34.933	0.004	0.004	0.000	0.000	0.000	0.000
544	A	860	SER	0	0.054	0.026	31.196	0.001	0.001	0.000	0.000	0.000	0.000
545	A	861	GLU	-1	-0.900	-0.964	24.924	0.066	0.066	0.000	0.000	0.000	0.000
546	A	862	ARG	1	1.001	0.995	28.823	-0.015	-0.015	0.000	0.000	0.000	0.000
547	A	863	ALA	0	0.035	0.027	29.624	-0.001	-0.001	0.000	0.000	0.000	0.000
548	A	864	ALA	0	-0.114	-0.058	30.427	0.000	0.000	0.000	0.000	0.000	0.000
549	A	865	GLN	0	-0.004	0.000	25.533	0.004	0.004	0.000	0.000	0.000	0.000
550	A	866	GLU	-1	-0.804	-0.879	29.826	0.019	0.019	0.000	0.000	0.000	0.000
551	A	867	PHE	0	-0.060	-0.038	32.554	-0.002	-0.002	0.000	0.000	0.000	0.000
552	A	868	PRO	0	0.034	0.025	31.937	0.001	0.001	0.000	0.000	0.000	0.000
553	A	869	ASN	0	-0.072	-0.041	33.602	0.004	0.004	0.000	0.000	0.000	0.000
554	A	870	LYS	1	0.899	0.966	36.918	-0.030	-0.030	0.000	0.000	0.000	0.000
555	A	871	PRO	0	0.003	0.001	38.203	0.002	0.002	0.000	0.000	0.000	0.000
556	A	872	PRO	0	0.081	0.021	38.951	-0.002	-0.002	0.000	0.000	0.000	0.000
557	A	873	LEU	0	0.063	0.018	40.317	-0.001	-0.001	0.000	0.000	0.000	0.000
558	A	874	VAL	0	0.007	0.012	41.407	-0.002	-0.002	0.000	0.000	0.000	0.000
559	A	875	LYS	1	0.937	0.981	34.986	-0.040	-0.040	0.000	0.000	0.000	0.000
560	A	876	TYR	0	-0.043	-0.029	39.824	-0.002	-0.002	0.000	0.000	0.000	0.000
561	A	877	CYS	0	-0.019	-0.011	42.086	-0.002	-0.002	0.000	0.000	0.000	0.000
562	A	878	ILE	0	-0.026	-0.001	39.693	-0.002	-0.002	0.000	0.000	0.000	0.000
563	A	879	ALA	0	0.036	0.026	39.635	-0.002	-0.002	0.000	0.000	0.000	0.000
564	A	880	LEU	0	-0.005	0.007	41.315	-0.002	-0.002	0.000	0.000	0.000	0.000
565	A	881	ALA	0	0.003	-0.007	44.678	-0.001	-0.001	0.000	0.000	0.000	0.000
566	A	882	ARG	1	0.849	0.910	35.829	-0.015	-0.015	0.000	0.000	0.000	0.000
567	A	883	TYR	0	0.032	0.018	42.434	-0.002	-0.002	0.000	0.000	0.000	0.000
568	A	884	MET	0	-0.043	-0.013	43.863	-0.001	-0.001	0.000	0.000	0.000	0.000
569	A	885	HIS	0	-0.036	-0.026	44.327	-0.002	-0.002	0.000	0.000	0.000	0.000
570	A	886	SER	0	-0.001	-0.013	41.368	-0.002	-0.002	0.000	0.000	0.000	0.000
571	A	887	PRO	0	0.083	0.056	41.727	0.001	0.001	0.000	0.000	0.000	0.000
572	A	888	LEU	0	0.038	0.030	38.966	0.000	0.000	0.000	0.000	0.000	0.000
573	A	889	LEU	0	-0.012	-0.009	36.603	0.000	0.000	0.000	0.000	0.000	0.000
574	A	890	GLU	-1	-0.842	-0.880	36.709	0.010	0.010	0.000	0.000	0.000	0.000
575	A	891	TYR	0	-0.055	-0.057	36.698	0.001	0.001	0.000	0.000	0.000	0.000
576	A	892	ALA	0	-0.027	-0.019	34.838	0.000	0.000	0.000	0.000	0.000	0.000
577	A	893	ASN	0	-0.087	-0.054	32.376	-0.001	-0.001	0.000	0.000	0.000	0.000
578	A	894	LEU	0	-0.091	-0.017	31.831	0.004	0.004	0.000	0.000	0.000	0.000
579	A	895	THR	0	0.004	0.001	27.491	-0.004	-0.004	0.000	0.000	0.000	0.000
580	A	896	SER	0	0.005	-0.033	27.294	-0.001	-0.001	0.000	0.000	0.000	0.000
581	A	897	GLU	-1	-0.901	-0.952	27.402	0.014	0.014	0.000	0.000	0.000	0.000
582	A	898	GLU	-1	-0.876	-0.934	30.236	0.020	0.020	0.000	0.000	0.000	0.000
583	A	899	VAL	0	0.010	-0.001	32.693	0.000	0.000	0.000	0.000	0.000	0.000
584	A	900	ARG	1	0.879	0.936	31.303	0.012	0.012	0.000	0.000	0.000	0.000
585	A	901	SER	0	-0.034	-0.005	34.727	0.001	0.001	0.000	0.000	0.000	0.000
586	A	902	LEU	0	-0.033	-0.009	36.456	0.002	0.002	0.000	0.000	0.000	0.000
587	A	903	SER	0	-0.003	-0.006	39.427	-0.001	-0.001	0.000	0.000	0.000	0.000
588	A	904	ILE	0	-0.039	-0.005	39.080	0.000	0.000	0.000	0.000	0.000	0.000
589	A	905	HIS	0	0.007	-0.015	43.393	-0.001	-0.001	0.000	0.000	0.000	0.000
590	A	906	PRO	0	-0.009	-0.002	44.391	0.000	0.000	0.000	0.000	0.000	0.000
591	A	907	HIS	0	0.046	0.020	45.506	0.001	0.001	0.000	0.000	0.000	0.000
592	A	908	GLN	0	0.055	0.029	38.693	-0.001	-0.001	0.000	0.000	0.000	0.000
593	A	909	ASN	0	-0.058	-0.039	38.828	-0.001	-0.001	0.000	0.000	0.000	0.000
594	A	910	LEU	0	0.026	0.026	39.970	0.000	0.000	0.000	0.000	0.000	0.000
595	A	911	LEU	0	-0.060	-0.015	39.194	-0.002	-0.002	0.000	0.000	0.000	0.000
596	A	912	SER	0	0.044	0.021	35.393	0.000	0.000	0.000	0.000	0.000	0.000
597	A	913	SER	0	0.059	-0.002	31.225	0.000	0.000	0.000	0.000	0.000	0.000
598	A	914	GLU	-1	-0.945	-0.959	32.529	-0.038	-0.038	0.000	0.000	0.000	0.000
599	A	915	GLN	0	0.017	0.004	33.588	0.001	0.001	0.000	0.000	0.000	0.000
600	A	916	LEU	0	0.008	0.008	35.366	0.000	0.000	0.000	0.000	0.000	0.000
601	A	917	SER	0	-0.037	-0.038	32.065	0.001	0.001	0.000	0.000	0.000	0.000
602	A	918	TRP	0	0.057	0.043	34.179	-0.001	-0.001	0.000	0.000	0.000	0.000
603	A	919	ALA	0	0.009	0.006	36.444	0.000	0.000	0.000	0.000	0.000	0.000
604	A	920	LEU	0	-0.036	-0.026	35.152	0.001	0.001	0.000	0.000	0.000	0.000
605	A	921	GLU	-1	-0.904	-0.949	32.452	-0.036	-0.036	0.000	0.000	0.000	0.000
606	A	922	THR	0	-0.024	-0.012	35.995	0.000	0.000	0.000	0.000	0.000	0.000
607	A	923	ALA	0	0.033	0.027	39.173	0.000	0.000	0.000	0.000	0.000	0.000
608	A	924	PHE	0	-0.019	-0.033	35.205	0.001	0.001	0.000	0.000	0.000	0.000
609	A	925	VAL	0	-0.049	-0.016	36.484	0.000	0.000	0.000	0.000	0.000	0.000
610	A	926	ASP	-1	-0.755	-0.862	38.856	-0.021	-0.021	0.000	0.000	0.000	0.000
611	A	927	ILE	0	0.013	-0.003	42.196	0.000	0.000	0.000	0.000	0.000	0.000
612	A	928	VAL	0	-0.034	-0.025	37.045	0.001	0.001	0.000	0.000	0.000	0.000
613	A	929	ASN	0	-0.039	-0.027	38.557	-0.002	-0.002	0.000	0.000	0.000	0.000
614	A	930	LEU	0	-0.002	0.032	41.900	0.000	0.000	0.000	0.000	0.000	0.000
615	A	931	VAL	0	-0.068	-0.031	42.563	0.001	0.001	0.000	0.000	0.000	0.000
616	A	932	SER	0	0.013	0.011	41.516	0.000	0.000	0.000	0.000	0.000	0.000
617	A	933	VAL	0	-0.049	-0.022	36.152	0.002	0.002	0.000	0.000	0.000	0.000
618	A	934	GLU	-1	-0.875	-0.936	39.560	-0.013	-0.013	0.000	0.000	0.000	0.000
619	A	935	VAL	0	0.031	0.001	35.611	0.001	0.001	0.000	0.000	0.000	0.000
620	A	936	ASN	0	0.012	-0.008	35.970	-0.001	-0.001	0.000	0.000	0.000	0.000
621	A	937	LYS	1	0.922	0.984	36.453	0.006	0.006	0.000	0.000	0.000	0.000
622	A	938	ALA	0	-0.009	-0.008	33.559	0.002	0.002	0.000	0.000	0.000	0.000
623	A	939	THR	0	0.005	-0.002	31.119	-0.001	-0.001	0.000	0.000	0.000	0.000
624	A	940	ASP	-1	-0.958	-0.975	30.632	-0.007	-0.007	0.000	0.000	0.000	0.000
625	A	941	ASN	0	0.013	-0.010	32.131	0.006	0.006	0.000	0.000	0.000	0.000
626	A	942	ASN	0	0.024	0.000	26.863	-0.006	-0.006	0.000	0.000	0.000	0.000
627	A	943	TYR	0	-0.082	-0.054	30.634	-0.002	-0.002	0.000	0.000	0.000	0.000
628	A	944	TYR	0	0.038	0.012	33.448	-0.001	-0.001	0.000	0.000	0.000	0.000
629	A	945	ALA	0	0.030	0.016	30.668	-0.002	-0.002	0.000	0.000	0.000	0.000
630	A	946	SER	0	-0.068	-0.035	30.892	-0.005	-0.005	0.000	0.000	0.000	0.000
631	A	947	ALA	0	0.032	0.013	31.949	-0.002	-0.002	0.000	0.000	0.000	0.000
632	A	948	LEU	0	0.028	0.028	30.731	-0.002	-0.002	0.000	0.000	0.000	0.000
633	A	949	LYS	1	0.875	0.939	28.287	0.019	0.019	0.000	0.000	0.000	0.000
634	A	950	TYR	0	-0.001	0.001	31.296	-0.004	-0.004	0.000	0.000	0.000	0.000
635	A	951	ILE	0	0.037	0.034	34.700	0.001	0.001	0.000	0.000	0.000	0.000
636	A	952	SER	0	-0.040	-0.016	35.488	-0.004	-0.004	0.000	0.000	0.000	0.000
637	A	953	GLY	0	0.012	-0.018	35.276	-0.001	-0.001	0.000	0.000	0.000	0.000
638	A	954	PHE	0	-0.040	-0.040	30.701	-0.007	-0.007	0.000	0.000	0.000	0.000
639	A	955	GLY	0	0.108	0.039	29.361	0.002	0.002	0.000	0.000	0.000	0.000
640	A	956	LYS	1	0.918	0.952	22.522	0.066	0.066	0.000	0.000	0.000	0.000
641	A	957	ARG	1	0.871	0.936	21.536	0.098	0.098	0.000	0.000	0.000	0.000
642	A	958	LYS	1	0.874	0.947	24.479	0.076	0.076	0.000	0.000	0.000	0.000
643	A	959	ALA	0	0.016	0.024	27.391	0.002	0.002	0.000	0.000	0.000	0.000
644	A	960	ILE	0	0.008	0.003	21.754	0.003	0.003	0.000	0.000	0.000	0.000
645	A	961	ASP	-1	-0.909	-0.965	24.071	-0.094	-0.094	0.000	0.000	0.000	0.000
646	A	962	PHE	0	0.047	0.031	25.083	0.001	0.001	0.000	0.000	0.000	0.000
647	A	963	LEU	0	0.038	0.019	27.224	0.003	0.003	0.000	0.000	0.000	0.000
648	A	964	GLN	0	-0.012	-0.011	20.412	-0.007	-0.007	0.000	0.000	0.000	0.000
649	A	965	SER	0	-0.074	-0.040	25.919	-0.001	-0.001	0.000	0.000	0.000	0.000
650	A	966	LEU	0	0.036	0.018	28.309	0.002	0.002	0.000	0.000	0.000	0.000
651	A	967	GLN	0	-0.060	-0.027	26.046	0.001	0.001	0.000	0.000	0.000	0.000
652	A	968	ARG	1	0.887	0.945	23.650	0.073	0.073	0.000	0.000	0.000	0.000
653	A	969	LEU	0	0.011	0.022	28.321	0.000	0.000	0.000	0.000	0.000	0.000
654	A	970	ASN	0	-0.064	-0.028	30.204	0.004	0.004	0.000	0.000	0.000	0.000
655	A	971	GLU	-1	-0.914	-0.949	32.934	-0.020	-0.020	0.000	0.000	0.000	0.000
656	A	972	PRO	0	-0.021	-0.012	35.811	-0.002	-0.002	0.000	0.000	0.000	0.000
657	A	973	LEU	0	-0.006	0.003	36.748	-0.001	-0.001	0.000	0.000	0.000	0.000
658	A	974	LEU	0	-0.034	-0.018	38.892	0.002	0.002	0.000	0.000	0.000	0.000
659	A	975	ALA	0	0.073	0.030	41.863	0.001	0.001	0.000	0.000	0.000	0.000
660	A	976	ARG	1	0.823	0.918	41.279	0.020	0.020	0.000	0.000	0.000	0.000
661	A	977	GLN	0	0.054	0.027	40.676	-0.002	-0.002	0.000	0.000	0.000	0.000
662	A	978	GLN	0	0.074	0.023	38.818	-0.002	-0.002	0.000	0.000	0.000	0.000
663	A	979	LEU	0	-0.034	-0.015	35.379	-0.003	-0.003	0.000	0.000	0.000	0.000
664	A	980	ILE	0	-0.002	0.003	35.980	-0.004	-0.004	0.000	0.000	0.000	0.000
665	A	981	THR	0	-0.014	-0.004	37.505	-0.002	-0.002	0.000	0.000	0.000	0.000
666	A	982	HIS	0	-0.011	-0.003	34.640	-0.004	-0.004	0.000	0.000	0.000	0.000
667	A	983	ASN	0	-0.076	-0.036	31.036	-0.002	-0.002	0.000	0.000	0.000	0.000
668	A	984	ILE	0	-0.040	-0.004	31.433	-0.005	-0.005	0.000	0.000	0.000	0.000
669	A	985	LEU	0	-0.041	-0.023	31.608	-0.004	-0.004	0.000	0.000	0.000	0.000
670	A	986	HIS	0	0.005	0.011	31.240	0.005	0.005	0.000	0.000	0.000	0.000
671	A	987	LYS	1	0.970	0.960	35.649	0.048	0.048	0.000	0.000	0.000	0.000
672	A	988	THR	0	0.015	0.032	36.666	0.004	0.004	0.000	0.000	0.000	0.000
673	A	989	ILE	0	-0.031	-0.015	32.747	0.003	0.003	0.000	0.000	0.000	0.000
674	A	990	PHE	0	0.007	0.024	36.100	0.003	0.003	0.000	0.000	0.000	0.000
675	A	991	MET	0	0.004	0.012	38.526	0.003	0.003	0.000	0.000	0.000	0.000
676	A	992	ASN	0	-0.051	-0.042	37.971	0.004	0.004	0.000	0.000	0.000	0.000
677	A	993	SER	0	0.034	0.003	36.978	0.003	0.003	0.000	0.000	0.000	0.000
678	A	994	ALA	0	0.021	0.015	39.085	0.002	0.002	0.000	0.000	0.000	0.000
679	A	995	GLY	0	0.019	0.013	41.191	0.002	0.002	0.000	0.000	0.000	0.000
680	A	996	PHE	0	-0.028	-0.009	40.321	0.001	0.001	0.000	0.000	0.000	0.000
681	A	997	LEU	0	-0.040	-0.016	36.250	0.001	0.001	0.000	0.000	0.000	0.000
682	A	998	TYR	0	-0.003	0.002	40.352	0.000	0.000	0.000	0.000	0.000	0.000
683	A	999	ILE	0	-0.050	-0.019	41.330	0.000	0.000	0.000	0.000	0.000	0.000
684	A	1000	SER	0	-0.010	-0.002	43.596	0.001	0.001	0.000	0.000	0.000	0.000
685	A	1001	TRP	0	0.077	0.031	46.136	0.000	0.000	0.000	0.000	0.000	0.000
686	A	1002	ASN	0	-0.049	-0.042	49.365	0.000	0.000	0.000	0.000	0.000	0.000
687	A	1003	GLU	-1	-0.842	-0.898	51.900	-0.008	-0.008	0.000	0.000	0.000	0.000
688	A	1004	LYS	1	0.829	0.910	51.372	0.007	0.007	0.000	0.000	0.000	0.000
689	A	1005	ARG	1	0.773	0.895	46.570	0.012	0.012	0.000	0.000	0.000	0.000
690	A	1006	GLN	0	-0.015	-0.021	48.936	0.001	0.001	0.000	0.000	0.000	0.000
691	A	1007	LYS	1	0.795	0.889	38.806	0.017	0.017	0.000	0.000	0.000	0.000
692	A	1008	TYR	0	0.106	0.138	42.950	-0.001	-0.001	0.000	0.000	0.000	0.000
693	A	1009	GLU	-1	-0.976	-0.982	46.000	-0.013	-0.013	0.000	0.000	0.000	0.000
694	A	1010	ASP	-1	-0.846	-1.005	48.449	-0.011	-0.011	0.000	0.000	0.000	0.000
695	A	1011	LEU	0	-0.049	-0.046	51.601	0.000	0.000	0.000	0.000	0.000	0.000
696	A	1012	GLU	-1	-0.919	-0.953	46.212	-0.023	-0.023	0.000	0.000	0.000	0.000
697	A	1013	HIS	0	-0.034	-0.015	45.264	-0.001	-0.001	0.000	0.000	0.000	0.000
698	A	1014	ASP	-1	-0.816	-0.906	47.931	-0.019	-0.019	0.000	0.000	0.000	0.000
699	A	1015	GLN	0	0.031	0.006	48.821	0.000	0.000	0.000	0.000	0.000	0.000
700	A	1016	LEU	0	0.005	0.002	50.434	0.001	0.001	0.000	0.000	0.000	0.000
701	A	1017	ASP	-1	-0.753	-0.869	45.202	-0.023	-0.023	0.000	0.000	0.000	0.000
702	A	1018	SER	0	-0.100	-0.047	45.809	0.000	0.000	0.000	0.000	0.000	0.000
703	A	1019	THR	0	0.012	0.005	48.051	0.001	0.001	0.000	0.000	0.000	0.000
704	A	1020	ARG	1	0.868	0.938	47.201	0.012	0.012	0.000	0.000	0.000	0.000
705	A	1021	ILE	0	0.001	0.015	48.554	-0.001	-0.001	0.000	0.000	0.000	0.000
706	A	1022	HIS	0	-0.007	-0.013	43.466	0.000	0.000	0.000	0.000	0.000	0.000
707	A	1023	PRO	0	0.046	-0.004	44.252	0.001	0.001	0.000	0.000	0.000	0.000
708	A	1024	GLU	-1	-0.903	-0.938	47.536	-0.029	-0.029	0.000	0.000	0.000	0.000
709	A	1025	ASP	-1	-0.847	-0.913	49.135	-0.022	-0.022	0.000	0.000	0.000	0.000
710	A	1026	TYR	0	-0.011	-0.025	47.015	0.001	0.001	0.000	0.000	0.000	0.000
711	A	1027	HIS	0	-0.054	-0.021	52.443	0.001	0.001	0.000	0.000	0.000	0.000
712	A	1028	LEU	0	0.045	0.015	55.236	0.001	0.001	0.000	0.000	0.000	0.000
713	A	1029	ALA	0	0.021	0.006	54.600	0.001	0.001	0.000	0.000	0.000	0.000
714	A	1030	THR	0	-0.036	-0.023	55.841	0.001	0.001	0.000	0.000	0.000	0.000
715	A	1031	LYS	1	0.940	0.978	58.368	0.016	0.016	0.000	0.000	0.000	0.000
716	A	1032	VAL	0	0.032	0.017	59.483	0.001	0.001	0.000	0.000	0.000	0.000
717	A	1033	ALA	0	-0.008	-0.003	60.081	0.001	0.001	0.000	0.000	0.000	0.000
718	A	1034	ALA	0	-0.007	-0.010	62.007	0.001	0.001	0.000	0.000	0.000	0.000
719	A	1035	ASP	-1	-0.831	-0.906	64.450	-0.013	-0.013	0.000	0.000	0.000	0.000
720	A	1036	ALA	0	-0.050	-0.021	64.542	0.001	0.001	0.000	0.000	0.000	0.000
721	A	1037	LEU	0	-0.075	-0.042	64.411	0.001	0.001	0.000	0.000	0.000	0.000
722	A	1038	GLU	-1	-1.007	-0.985	68.145	-0.009	-0.009	0.000	0.000	0.000	0.000
723	A	1039	TYR	0	-0.028	-0.016	66.240	0.000	0.000	0.000	0.000	0.000	0.000
724	A	1040	ASP	-1	-0.909	-0.951	69.789	-0.011	-0.011	0.000	0.000	0.000	0.000
725	A	1041	PRO	0	-0.005	-0.026	69.352	0.000	0.000	0.000	0.000	0.000	0.000
726	A	1042	ASP	-1	-0.916	-0.952	69.253	-0.013	-0.013	0.000	0.000	0.000	0.000
727	A	1043	THR	0	0.015	-0.001	67.580	0.000	0.000	0.000	0.000	0.000	0.000
728	A	1044	ILE	0	-0.023	-0.010	64.122	-0.001	-0.001	0.000	0.000	0.000	0.000
729	A	1045	ALA	0	-0.008	-0.006	64.475	-0.001	-0.001	0.000	0.000	0.000	0.000
730	A	1046	GLU	-1	-0.953	-0.963	65.162	-0.014	-0.014	0.000	0.000	0.000	0.000
731	A	1047	LYS	1	0.885	0.944	61.829	0.013	0.013	0.000	0.000	0.000	0.000
732	A	1048	GLU	-1	-0.874	-0.956	59.524	-0.020	-0.020	0.000	0.000	0.000	0.000
733	A	1049	GLU	-1	-0.998	-0.987	60.306	-0.019	-0.019	0.000	0.000	0.000	0.000
734	A	1050	GLN	0	-0.118	-0.050	60.869	-0.001	-0.001	0.000	0.000	0.000	0.000
735	A	1051	GLY	0	0.003	0.013	57.205	-0.001	-0.001	0.000	0.000	0.000	0.000
736	A	1052	THR	0	-0.032	-0.026	56.460	0.000	0.000	0.000	0.000	0.000	0.000
737	A	1053	MET	0	0.029	0.025	57.313	0.001	0.001	0.000	0.000	0.000	0.000
738	A	1054	SER	0	0.013	-0.006	54.456	0.000	0.000	0.000	0.000	0.000	0.000
739	A	1055	GLU	-1	-0.863	-0.937	56.392	-0.013	-0.013	0.000	0.000	0.000	0.000
740	A	1056	PHE	0	-0.032	-0.023	59.396	0.001	0.001	0.000	0.000	0.000	0.000
741	A	1057	ILE	0	-0.012	0.003	55.184	0.001	0.001	0.000	0.000	0.000	0.000
742	A	1058	GLU	-1	-0.920	-0.983	57.010	-0.013	-0.013	0.000	0.000	0.000	0.000
743	A	1059	LEU	0	0.014	0.014	59.309	0.001	0.001	0.000	0.000	0.000	0.000
744	A	1060	LEU	0	-0.007	0.007	60.194	0.001	0.001	0.000	0.000	0.000	0.000
745	A	1061	ARG	1	0.843	0.935	56.873	0.010	0.010	0.000	0.000	0.000	0.000
746	A	1062	GLU	-1	-1.024	-1.020	60.730	-0.009	-0.009	0.000	0.000	0.000	0.000
747	A	1063	ASP	-1	-0.817	-0.906	63.500	-0.008	-0.008	0.000	0.000	0.000	0.000
748	A	1064	PRO	0	-0.062	-0.024	65.278	0.000	0.000	0.000	0.000	0.000	0.000
749	A	1065	ASP	-1	-0.952	-0.988	67.526	-0.007	-0.007	0.000	0.000	0.000	0.000
750	A	1066	ARG	1	0.936	0.975	59.528	0.008	0.008	0.000	0.000	0.000	0.000
751	A	1067	ARG	1	0.898	0.948	61.290	0.007	0.007	0.000	0.000	0.000	0.000
752	A	1068	ALA	0	0.000	0.000	65.295	0.000	0.000	0.000	0.000	0.000	0.000
753	A	1069	LYS	1	0.905	0.964	67.411	0.008	0.008	0.000	0.000	0.000	0.000
754	A	1070	LEU	0	0.027	0.017	60.926	0.000	0.000	0.000	0.000	0.000	0.000
755	A	1071	GLU	-1	-0.957	-0.988	64.937	-0.008	-0.008	0.000	0.000	0.000	0.000
756	A	1072	SER	0	-0.097	-0.031	66.375	0.000	0.000	0.000	0.000	0.000	0.000
757	A	1073	LEU	0	0.010	0.018	63.977	0.000	0.000	0.000	0.000	0.000	0.000
758	A	1074	ASN	0	-0.003	-0.012	66.944	0.000	0.000	0.000	0.000	0.000	0.000
759	A	1075	LEU	0	0.040	0.000	61.232	0.000	0.000	0.000	0.000	0.000	0.000
760	A	1076	GLU	-1	-0.970	-0.973	64.337	-0.012	-0.012	0.000	0.000	0.000	0.000
761	A	1077	SER	0	0.016	0.001	66.308	0.000	0.000	0.000	0.000	0.000	0.000
762	A	1078	TYR	0	-0.086	-0.056	61.942	-0.001	-0.001	0.000	0.000	0.000	0.000
763	A	1079	ALA	0	-0.008	-0.020	62.102	-0.001	-0.001	0.000	0.000	0.000	0.000
764	A	1080	GLU	-1	-0.930	-0.944	63.530	-0.015	-0.015	0.000	0.000	0.000	0.000
765	A	1081	GLU	-1	-0.927	-0.979	66.345	-0.014	-0.014	0.000	0.000	0.000	0.000
766	A	1082	LEU	0	-0.031	-0.006	59.236	-0.001	-0.001	0.000	0.000	0.000	0.000
767	A	1083	GLU	-1	-0.893	-0.951	61.602	-0.019	-0.019	0.000	0.000	0.000	0.000
768	A	1084	LYS	1	0.930	0.976	63.136	0.014	0.014	0.000	0.000	0.000	0.000
769	A	1085	ASN	0	-0.066	-0.037	65.268	0.000	0.000	0.000	0.000	0.000	0.000
770	A	1086	THR	0	-0.075	-0.037	60.099	-0.001	-0.001	0.000	0.000	0.000	0.000
771	A	1087	GLY	0	-0.021	-0.005	60.203	-0.001	-0.001	0.000	0.000	0.000	0.000
772	A	1088	LEU	0	-0.079	-0.041	55.065	-0.001	-0.001	0.000	0.000	0.000	0.000
773	A	1089	ARG	1	0.940	0.979	57.255	0.021	0.021	0.000	0.000	0.000	0.000
774	A	1090	LYS	1	0.909	0.937	52.479	0.023	0.023	0.000	0.000	0.000	0.000
775	A	1091	LEU	0	0.085	0.056	57.524	0.000	0.000	0.000	0.000	0.000	0.000
776	A	1092	ASN	0	0.000	-0.017	53.183	0.002	0.002	0.000	0.000	0.000	0.000
777	A	1093	ASN	0	-0.077	-0.051	51.607	0.000	0.000	0.000	0.000	0.000	0.000
778	A	1094	LEU	0	0.042	0.013	55.037	0.000	0.000	0.000	0.000	0.000	0.000
779	A	1095	ASN	0	-0.022	-0.012	57.690	0.001	0.001	0.000	0.000	0.000	0.000
780	A	1096	THR	0	0.005	0.004	53.111	0.000	0.000	0.000	0.000	0.000	0.000
781	A	1097	ILE	0	0.036	0.017	54.410	0.000	0.000	0.000	0.000	0.000	0.000
782	A	1098	VAL	0	0.028	0.004	55.859	0.000	0.000	0.000	0.000	0.000	0.000
783	A	1099	LEU	0	-0.013	-0.005	56.318	0.001	0.001	0.000	0.000	0.000	0.000
784	A	1100	GLU	-1	-0.775	-0.896	51.261	-0.014	-0.014	0.000	0.000	0.000	0.000
785	A	1101	LEU	0	-0.056	-0.031	54.589	0.000	0.000	0.000	0.000	0.000	0.000
786	A	1102	LEU	0	-0.127	-0.032	56.962	0.001	0.001	0.000	0.000	0.000	0.000
787	A	1103	ASP	-1	-0.942	-0.984	56.105	-0.007	-0.007	0.000	0.000	0.000	0.000
788	A	1104	GLY	0	0.019	0.028	52.061	0.000	0.000	0.000	0.000	0.000	0.000
789	A	1105	PHE	0	-0.126	-0.078	45.310	0.000	0.000	0.000	0.000	0.000	0.000
790	A	1106	GLU	-1	-0.891	-0.922	50.112	-0.009	-0.009	0.000	0.000	0.000	0.000
791	A	1107	GLU	-1	-0.837	-0.907	48.719	-0.008	-0.008	0.000	0.000	0.000	0.000
792	A	1108	LEU	0	-0.003	-0.019	49.917	0.000	0.000	0.000	0.000	0.000	0.000
793	A	1109	ARG	1	0.759	0.884	44.124	0.007	0.007	0.000	0.000	0.000	0.000
794	A	1110	ASN	0	-0.031	-0.022	49.925	0.001	0.001	0.000	0.000	0.000	0.000
795	A	1111	ASP	-1	-0.914	-0.957	51.358	-0.003	-0.003	0.000	0.000	0.000	0.000
796	A	1112	PHE	0	-0.054	-0.029	47.516	0.000	0.000	0.000	0.000	0.000	0.000
797	A	1113	HIS	0	-0.002	-0.030	50.896	0.000	0.000	0.000	0.000	0.000	0.000
798	A	1114	PRO	0	-0.105	-0.052	51.664	0.001	0.001	0.000	0.000	0.000	0.000
799	A	1115	LEU	0	-0.002	0.011	50.137	0.000	0.000	0.000	0.000	0.000	0.000
800	A	1116	GLN	0	0.021	0.008	53.999	0.000	0.000	0.000	0.000	0.000	0.000
801	A	1117	GLY	0	-0.017	-0.028	56.917	0.001	0.001	0.000	0.000	0.000	0.000
802	A	1118	ASP	-1	-0.873	-0.938	57.562	0.003	0.003	0.000	0.000	0.000	0.000
803	A	1119	GLU	-1	-0.792	-0.893	52.894	0.003	0.003	0.000	0.000	0.000	0.000
804	A	1120	ILE	0	-0.076	-0.016	53.499	0.001	0.001	0.000	0.000	0.000	0.000
805	A	1121	PHE	0	-0.026	-0.019	54.752	0.001	0.001	0.000	0.000	0.000	0.000
806	A	1122	GLN	0	0.018	0.000	52.875	0.001	0.001	0.000	0.000	0.000	0.000
807	A	1123	SER	0	-0.018	0.016	50.516	0.001	0.001	0.000	0.000	0.000	0.000
808	A	1124	LEU	0	-0.070	-0.039	50.908	0.001	0.001	0.000	0.000	0.000	0.000
809	A	1125	THR	0	-0.092	-0.036	53.200	0.001	0.001	0.000	0.000	0.000	0.000
810	A	1126	GLY	0	0.001	-0.004	51.520	0.001	0.001	0.000	0.000	0.000	0.000
811	A	1127	GLU	-1	-1.004	-1.000	52.458	0.007	0.007	0.000	0.000	0.000	0.000
812	A	1128	SER	0	0.001	-0.013	54.391	0.000	0.000	0.000	0.000	0.000	0.000
813	A	1129	NME	0	-0.003	0.012	56.083	-0.001	-0.001	0.000	0.000	0.000	0.000
814	A	1218	ACE	0	0.064	0.026	62.183	0.000	0.000	0.000	0.000	0.000	0.000
815	A	1219	SER	0	-0.065	-0.052	62.595	-0.001	-0.001	0.000	0.000	0.000	0.000
816	A	1220	LYS	1	0.922	0.956	63.923	0.000	0.000	0.000	0.000	0.000	0.000
817	A	1221	ASP	-1	-0.858	-0.925	66.527	-0.003	-0.003	0.000	0.000	0.000	0.000
818	A	1222	PRO	0	0.027	-0.006	67.523	0.000	0.000	0.000	0.000	0.000	0.000
819	A	1223	SER	0	-0.057	-0.008	68.428	0.000	0.000	0.000	0.000	0.000	0.000
820	A	1224	ILE	0	0.002	0.001	63.584	0.000	0.000	0.000	0.000	0.000	0.000
821	A	1225	TRP	0	-0.049	-0.011	60.458	0.000	0.000	0.000	0.000	0.000	0.000
822	A	1226	ASP	-1	-0.814	-0.909	63.666	-0.002	-0.002	0.000	0.000	0.000	0.000
823	A	1227	LEU	0	-0.008	-0.019	65.383	0.000	0.000	0.000	0.000	0.000	0.000
824	A	1228	LYS	1	0.888	0.960	68.087	0.002	0.002	0.000	0.000	0.000	0.000
825	A	1229	GLN	0	0.009	0.005	62.777	0.000	0.000	0.000	0.000	0.000	0.000
826	A	1230	GLU	-1	-0.881	-0.938	64.390	0.001	0.001	0.000	0.000	0.000	0.000
827	A	1231	LEU	0	-0.065	-0.039	65.390	0.001	0.001	0.000	0.000	0.000	0.000
828	A	1232	GLU	-1	-0.892	-0.961	66.870	0.000	0.000	0.000	0.000	0.000	0.000
829	A	1233	ASP	-1	-0.764	-0.864	61.817	0.001	0.001	0.000	0.000	0.000	0.000
830	A	1234	ALA	0	-0.044	-0.013	64.357	0.001	0.001	0.000	0.000	0.000	0.000
831	A	1235	GLU	-1	-0.859	-0.937	66.319	0.003	0.003	0.000	0.000	0.000	0.000
832	A	1236	GLU	-1	-1.003	-1.010	62.933	0.003	0.003	0.000	0.000	0.000	0.000
833	A	1237	GLU	-1	-0.795	-0.904	61.647	0.006	0.006	0.000	0.000	0.000	0.000
834	A	1238	ARG	1	0.831	0.918	64.402	-0.003	-0.003	0.000	0.000	0.000	0.000
835	A	1239	LYS	1	0.878	0.922	67.597	-0.002	-0.002	0.000	0.000	0.000	0.000
836	A	1240	LEU	0	0.017	0.031	60.218	0.000	0.000	0.000	0.000	0.000	0.000
837	A	1241	MET	0	0.031	0.023	62.536	0.001	0.001	0.000	0.000	0.000	0.000
838	A	1242	MET	0	-0.074	-0.046	65.470	0.000	0.000	0.000	0.000	0.000	0.000
839	A	1243	ALA	0	-0.084	-0.053	65.449	0.000	0.000	0.000	0.000	0.000	0.000
840	A	1244	GLU	-1	-0.896	-0.952	60.529	0.009	0.009	0.000	0.000	0.000	0.000
841	A	1245	ALA	0	-0.031	-0.002	64.364	0.001	0.001	0.000	0.000	0.000	0.000
842	A	1246	ARG	1	0.861	0.930	67.171	-0.006	-0.006	0.000	0.000	0.000	0.000
843	A	1247	ALA	0	-0.003	0.016	64.138	0.000	0.000	0.000	0.000	0.000	0.000
844	A	1248	LYS	1	0.942	0.976	65.216	-0.008	-0.008	0.000	0.000	0.000	0.000
845	A	1249	NME	0	0.001	0.005	66.515	0.000	0.000	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(A:297:ACE )