FMO DATABASE

FMODB ID: J3679

Calculation Name: 1K32-A-Xray319

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 1K32

Chain ID: A

ChEMBL ID:

UniProt ID: P96086

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:

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

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	1025
LigandCharge
Software	ABINIT-MP - Open Ver.1 Rev. 15 / 20190524

Total energy (hartree)

FMO2-HF: Electronic energy	-32065047.178096
FMO2-HF: Nuclear repulsion	31659782.524243
FMO2-HF: Total energy	-405264.653854
FMO2-MP2: Total energy	-406454.939671

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:38:ACE )

Summations of interaction energy for fragment #1(A:38: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.
-0.509	0.88499999999999	0.036	-0.726	-0.705	-0.003

Interaction energy analysis for fragmet #1(A:38:ACE )

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.003 / q_NPA : -0.010

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	40	PRO	0	0.054	0.051	3.844	0.950	1.798	-0.003	-0.357	-0.489	-0.001
4	A	41	ASN	0	0.010	-0.023	6.297	-0.061	-0.061	0.000	0.000	0.000	0.000
5	A	42	LEU	0	-0.013	0.012	10.019	0.071	0.071	0.000	0.000	0.000	0.000
6	A	43	LEU	0	-0.034	-0.019	12.368	0.039	0.039	0.000	0.000	0.000	0.000
7	A	44	LEU	0	-0.026	-0.034	15.179	0.020	0.020	0.000	0.000	0.000	0.000
8	A	45	ASN	0	-0.055	-0.056	18.916	0.008	0.008	0.000	0.000	0.000	0.000
9	A	46	PRO	0	0.002	0.016	20.702	0.001	0.001	0.000	0.000	0.000	0.000
10	A	47	ASP	-1	-0.747	-0.877	22.661	-0.043	-0.043	0.000	0.000	0.000	0.000
11	A	48	ILE	0	-0.053	-0.048	24.458	-0.001	-0.001	0.000	0.000	0.000	0.000
12	A	49	HIS	0	0.011	0.017	26.403	0.002	0.002	0.000	0.000	0.000	0.000
13	A	50	GLY	0	-0.010	0.004	28.119	0.002	0.002	0.000	0.000	0.000	0.000
14	A	51	ASP	-1	-0.957	-0.988	25.207	0.016	0.016	0.000	0.000	0.000	0.000
15	A	52	ARG	1	0.849	0.936	23.889	0.022	0.022	0.000	0.000	0.000	0.000
16	A	53	ILE	0	0.033	0.010	20.243	-0.003	-0.003	0.000	0.000	0.000	0.000
17	A	54	ILE	0	-0.016	0.007	21.349	-0.002	-0.002	0.000	0.000	0.000	0.000
18	A	55	PHE	0	0.000	-0.018	15.486	0.003	0.003	0.000	0.000	0.000	0.000
19	A	56	VAL	0	0.017	0.019	19.338	0.001	0.001	0.000	0.000	0.000	0.000
20	A	57	CYS	0	-0.008	-0.009	13.085	-0.043	-0.043	0.000	0.000	0.000	0.000
21	A	58	CYS	0	0.024	0.017	13.597	-0.009	-0.009	0.000	0.000	0.000	0.000
22	A	59	ASP	-1	-0.832	-0.892	16.528	-0.207	-0.207	0.000	0.000	0.000	0.000
23	A	60	ASP	-1	-0.754	-0.885	18.755	-0.145	-0.145	0.000	0.000	0.000	0.000
24	A	61	LEU	0	-0.031	-0.028	19.857	-0.007	-0.007	0.000	0.000	0.000	0.000
25	A	62	TRP	0	-0.025	-0.027	14.142	0.018	0.018	0.000	0.000	0.000	0.000
26	A	63	GLU	-1	-0.882	-0.962	19.504	-0.025	-0.025	0.000	0.000	0.000	0.000
27	A	64	HIS	0	-0.021	-0.026	16.231	0.004	0.004	0.000	0.000	0.000	0.000
28	A	65	ASP	-1	-0.759	-0.834	19.478	0.023	0.023	0.000	0.000	0.000	0.000
29	A	66	LEU	0	-0.010	-0.005	19.945	0.012	0.012	0.000	0.000	0.000	0.000
30	A	67	LYS	1	0.896	0.964	21.543	-0.020	-0.020	0.000	0.000	0.000	0.000
31	A	68	SER	0	-0.107	-0.108	21.623	0.010	0.010	0.000	0.000	0.000	0.000
32	A	69	GLY	0	0.015	0.010	17.899	0.017	0.017	0.000	0.000	0.000	0.000
33	A	70	SER	0	-0.083	-0.031	16.358	0.000	0.000	0.000	0.000	0.000	0.000
34	A	71	THR	0	0.065	0.023	14.371	-0.010	-0.010	0.000	0.000	0.000	0.000
35	A	72	ARG	1	0.883	0.944	16.622	0.035	0.035	0.000	0.000	0.000	0.000
36	A	73	LYS	1	0.822	0.913	16.592	0.195	0.195	0.000	0.000	0.000	0.000
37	A	74	ILE	0	-0.062	-0.036	19.269	0.012	0.012	0.000	0.000	0.000	0.000
38	A	75	VAL	0	-0.004	0.006	22.561	0.006	0.006	0.000	0.000	0.000	0.000
39	A	76	SER	0	0.005	0.006	21.284	-0.009	-0.009	0.000	0.000	0.000	0.000
40	A	77	ASN	0	0.003	0.003	22.864	0.006	0.006	0.000	0.000	0.000	0.000
41	A	78	LEU	0	0.036	0.015	24.743	0.010	0.010	0.000	0.000	0.000	0.000
42	A	79	GLY	0	-0.017	0.002	25.625	0.009	0.009	0.000	0.000	0.000	0.000
43	A	80	VAL	0	0.028	0.018	23.094	-0.005	-0.005	0.000	0.000	0.000	0.000
44	A	81	ILE	0	-0.014	0.013	23.523	0.014	0.014	0.000	0.000	0.000	0.000
45	A	82	ASN	0	0.063	0.045	23.410	-0.010	-0.010	0.000	0.000	0.000	0.000
46	A	83	ASN	0	-0.024	-0.029	25.244	-0.001	-0.001	0.000	0.000	0.000	0.000
47	A	84	ALA	0	0.037	0.014	25.515	0.001	0.001	0.000	0.000	0.000	0.000
48	A	85	ARG	1	0.911	0.962	27.369	0.051	0.051	0.000	0.000	0.000	0.000
49	A	86	PHE	0	0.037	0.011	26.000	0.001	0.001	0.000	0.000	0.000	0.000
50	A	87	PHE	0	-0.001	-0.008	30.866	0.001	0.001	0.000	0.000	0.000	0.000
51	A	88	PRO	0	0.026	0.022	33.990	0.001	0.001	0.000	0.000	0.000	0.000
52	A	89	ASP	-1	-0.855	-0.933	35.739	-0.019	-0.019	0.000	0.000	0.000	0.000
53	A	90	GLY	0	-0.025	-0.011	32.031	0.002	0.002	0.000	0.000	0.000	0.000
54	A	91	ARG	1	0.784	0.897	31.530	0.015	0.015	0.000	0.000	0.000	0.000
55	A	92	LYS	1	0.911	0.973	32.387	0.031	0.031	0.000	0.000	0.000	0.000
56	A	93	ILE	0	-0.002	0.003	26.861	0.000	0.000	0.000	0.000	0.000	0.000
57	A	94	ALA	0	-0.008	-0.001	30.932	-0.001	-0.001	0.000	0.000	0.000	0.000
58	A	95	ILE	0	-0.013	-0.015	27.251	-0.004	-0.004	0.000	0.000	0.000	0.000
59	A	96	ARG	1	0.808	0.881	29.120	0.090	0.090	0.000	0.000	0.000	0.000
60	A	97	VAL	0	-0.010	-0.005	27.394	-0.008	-0.008	0.000	0.000	0.000	0.000
61	A	98	MET	0	-0.023	0.008	26.759	0.009	0.009	0.000	0.000	0.000	0.000
62	A	99	ARG	1	0.857	0.921	28.672	0.077	0.077	0.000	0.000	0.000	0.000
63	A	100	GLY	0	0.059	0.042	30.844	0.004	0.004	0.000	0.000	0.000	0.000
64	A	101	SER	0	0.036	0.021	29.647	-0.004	-0.004	0.000	0.000	0.000	0.000
65	A	102	SER	0	-0.021	-0.020	28.789	-0.008	-0.008	0.000	0.000	0.000	0.000
66	A	103	LEU	0	-0.040	-0.014	25.529	0.001	0.001	0.000	0.000	0.000	0.000
67	A	104	ASN	0	0.024	0.012	30.267	-0.001	-0.001	0.000	0.000	0.000	0.000
68	A	105	THR	0	-0.031	0.000	33.328	0.007	0.007	0.000	0.000	0.000	0.000
69	A	106	ALA	0	0.011	-0.007	32.780	-0.007	-0.007	0.000	0.000	0.000	0.000
70	A	107	ASP	-1	-0.705	-0.808	33.279	-0.052	-0.052	0.000	0.000	0.000	0.000
71	A	108	LEU	0	-0.006	-0.001	33.021	-0.005	-0.005	0.000	0.000	0.000	0.000
72	A	109	TYR	0	0.019	0.010	31.301	0.002	0.002	0.000	0.000	0.000	0.000
73	A	110	PHE	0	-0.011	-0.001	32.795	0.000	0.000	0.000	0.000	0.000	0.000
74	A	111	TYR	0	0.053	0.018	26.988	-0.002	-0.002	0.000	0.000	0.000	0.000
75	A	112	ASN	0	0.021	0.004	31.006	0.004	0.004	0.000	0.000	0.000	0.000
76	A	113	GLY	0	0.042	0.017	29.388	0.000	0.000	0.000	0.000	0.000	0.000
77	A	114	GLU	-1	-0.884	-0.920	30.127	-0.011	-0.011	0.000	0.000	0.000	0.000
78	A	115	ASN	0	-0.036	-0.034	33.183	0.001	0.001	0.000	0.000	0.000	0.000
79	A	116	GLY	0	-0.009	0.007	30.017	-0.001	-0.001	0.000	0.000	0.000	0.000
80	A	117	GLU	-1	-0.982	-0.975	30.771	-0.036	-0.036	0.000	0.000	0.000	0.000
81	A	118	ILE	0	-0.022	-0.013	29.169	-0.002	-0.002	0.000	0.000	0.000	0.000
82	A	119	LYN	0	0.055	0.036	32.327	0.002	0.002	0.000	0.000	0.000	0.000
83	A	120	ARG	1	0.783	0.891	35.015	0.054	0.054	0.000	0.000	0.000	0.000
84	A	121	ILE	0	-0.031	-0.022	36.118	0.003	0.003	0.000	0.000	0.000	0.000
85	A	122	THR	0	-0.052	-0.050	37.594	0.002	0.002	0.000	0.000	0.000	0.000
86	A	123	TYR	0	0.004	0.004	38.331	-0.004	-0.004	0.000	0.000	0.000	0.000
87	A	124	PHE	0	0.009	-0.003	39.903	0.002	0.002	0.000	0.000	0.000	0.000
88	A	125	SER	0	-0.005	-0.012	37.718	0.000	0.000	0.000	0.000	0.000	0.000
89	A	126	GLY	0	0.004	0.022	38.012	0.001	0.001	0.000	0.000	0.000	0.000
90	A	127	LYS	1	0.972	0.970	36.829	0.049	0.049	0.000	0.000	0.000	0.000
91	A	128	SER	0	0.011	0.020	31.831	0.001	0.001	0.000	0.000	0.000	0.000
92	A	129	THR	0	-0.017	-0.015	32.845	-0.002	-0.002	0.000	0.000	0.000	0.000
93	A	130	GLY	0	0.077	0.027	29.352	0.000	0.000	0.000	0.000	0.000	0.000
94	A	131	ARG	1	0.960	0.988	29.770	0.082	0.082	0.000	0.000	0.000	0.000
95	A	132	ARG	1	0.888	0.947	32.155	0.066	0.066	0.000	0.000	0.000	0.000
96	A	133	MET	0	-0.012	0.018	27.257	-0.001	-0.001	0.000	0.000	0.000	0.000
97	A	134	PHE	0	0.017	0.001	32.553	0.002	0.002	0.000	0.000	0.000	0.000
98	A	135	THR	0	0.048	0.027	35.222	0.000	0.000	0.000	0.000	0.000	0.000
99	A	136	ASP	-1	-0.817	-0.889	31.698	-0.078	-0.078	0.000	0.000	0.000	0.000
100	A	137	VAL	0	-0.015	-0.016	32.884	0.005	0.005	0.000	0.000	0.000	0.000
101	A	138	ALA	0	-0.014	-0.012	34.520	-0.002	-0.002	0.000	0.000	0.000	0.000
102	A	139	GLY	0	-0.016	-0.017	36.382	0.001	0.001	0.000	0.000	0.000	0.000
103	A	140	PHE	0	-0.009	-0.009	33.835	-0.001	-0.001	0.000	0.000	0.000	0.000
104	A	141	ASP	-1	-0.808	-0.898	39.178	-0.023	-0.023	0.000	0.000	0.000	0.000
105	A	142	PRO	0	-0.016	-0.039	42.058	0.000	0.000	0.000	0.000	0.000	0.000
106	A	143	ASP	-1	-0.926	-0.941	43.976	-0.016	-0.016	0.000	0.000	0.000	0.000
107	A	144	GLY	0	-0.060	-0.032	40.613	0.000	0.000	0.000	0.000	0.000	0.000
108	A	145	ASN	0	-0.079	-0.042	40.221	-0.002	-0.002	0.000	0.000	0.000	0.000
109	A	146	LEU	0	-0.003	-0.002	36.303	-0.001	-0.001	0.000	0.000	0.000	0.000
110	A	147	ILE	0	-0.020	0.003	39.154	0.001	0.001	0.000	0.000	0.000	0.000
111	A	148	ILE	0	-0.009	0.000	37.601	-0.003	-0.003	0.000	0.000	0.000	0.000
112	A	149	SER	0	-0.009	-0.022	37.754	0.002	0.002	0.000	0.000	0.000	0.000
113	A	150	THR	0	0.006	-0.023	38.481	-0.003	-0.003	0.000	0.000	0.000	0.000
114	A	151	ASP	-1	-0.768	-0.875	40.184	-0.051	-0.051	0.000	0.000	0.000	0.000
115	A	152	ALA	0	-0.037	-0.011	41.558	0.001	0.001	0.000	0.000	0.000	0.000
116	A	153	MET	0	-0.002	-0.001	43.235	0.000	0.000	0.000	0.000	0.000	0.000
117	A	154	GLN	0	-0.011	-0.004	46.074	0.003	0.003	0.000	0.000	0.000	0.000
118	A	155	PRO	0	0.014	0.010	47.281	-0.002	-0.002	0.000	0.000	0.000	0.000
119	A	156	PHE	0	0.048	0.005	46.272	-0.001	-0.001	0.000	0.000	0.000	0.000
120	A	157	SER	0	0.000	-0.017	40.682	0.000	0.000	0.000	0.000	0.000	0.000
121	A	158	SER	0	-0.030	-0.020	41.371	-0.003	-0.003	0.000	0.000	0.000	0.000
122	A	159	MET	0	-0.058	0.013	42.723	0.002	0.002	0.000	0.000	0.000	0.000
123	A	160	THR	0	-0.004	0.000	38.970	0.000	0.000	0.000	0.000	0.000	0.000
124	A	161	CYS	0	-0.025	-0.006	42.057	0.001	0.001	0.000	0.000	0.000	0.000
125	A	162	LEU	0	0.054	0.027	41.074	-0.002	-0.002	0.000	0.000	0.000	0.000
126	A	163	TYR	0	0.007	-0.004	43.012	0.002	0.002	0.000	0.000	0.000	0.000
127	A	164	ARG	1	0.943	0.980	42.962	0.023	0.023	0.000	0.000	0.000	0.000
128	A	165	VAL	0	-0.031	-0.023	40.178	0.000	0.000	0.000	0.000	0.000	0.000
129	A	166	GLU	-1	-0.847	-0.925	43.368	-0.022	-0.022	0.000	0.000	0.000	0.000
130	A	167	ASN	0	-0.020	-0.020	45.085	0.000	0.000	0.000	0.000	0.000	0.000
131	A	168	ASP	-1	-0.871	-0.946	40.454	-0.032	-0.032	0.000	0.000	0.000	0.000
132	A	169	GLY	0	0.032	0.008	41.602	-0.002	-0.002	0.000	0.000	0.000	0.000
133	A	170	ILE	0	-0.065	0.000	42.972	0.000	0.000	0.000	0.000	0.000	0.000
134	A	171	ASN	0	0.006	0.004	46.417	0.000	0.000	0.000	0.000	0.000	0.000
135	A	172	PHE	0	0.008	0.009	41.682	-0.001	-0.001	0.000	0.000	0.000	0.000
136	A	173	VAL	0	-0.007	0.010	46.907	0.001	0.001	0.000	0.000	0.000	0.000
137	A	174	PRO	0	-0.008	0.016	47.531	-0.001	-0.001	0.000	0.000	0.000	0.000
138	A	175	LEU	0	-0.019	-0.027	44.890	0.002	0.002	0.000	0.000	0.000	0.000
139	A	176	ASN	0	-0.023	-0.011	48.725	0.000	0.000	0.000	0.000	0.000	0.000
140	A	177	LEU	0	0.020	0.004	46.554	0.001	0.001	0.000	0.000	0.000	0.000
141	A	178	GLY	0	0.015	0.003	47.855	0.000	0.000	0.000	0.000	0.000	0.000
142	A	179	PRO	0	-0.062	-0.015	43.626	-0.001	-0.001	0.000	0.000	0.000	0.000
143	A	180	ALA	0	-0.005	-0.014	41.633	0.001	0.001	0.000	0.000	0.000	0.000
144	A	181	THR	0	-0.040	-0.001	35.053	-0.002	-0.002	0.000	0.000	0.000	0.000
145	A	182	HIS	0	0.081	0.055	32.350	0.001	0.001	0.000	0.000	0.000	0.000
146	A	183	ILE	0	-0.022	-0.004	37.732	0.002	0.002	0.000	0.000	0.000	0.000
147	A	184	LEU	0	-0.024	-0.008	36.252	0.000	0.000	0.000	0.000	0.000	0.000
148	A	185	PHE	0	0.022	0.006	40.141	0.001	0.001	0.000	0.000	0.000	0.000
149	A	186	ALA	0	0.039	0.019	42.028	0.000	0.000	0.000	0.000	0.000	0.000
150	A	187	ASP	-1	-0.887	-0.947	44.096	-0.012	-0.012	0.000	0.000	0.000	0.000
151	A	188	GLY	0	-0.011	-0.001	46.742	0.000	0.000	0.000	0.000	0.000	0.000
152	A	189	ARG	1	0.884	0.960	47.247	0.015	0.015	0.000	0.000	0.000	0.000
153	A	190	ARG	1	0.863	0.938	45.146	0.021	0.021	0.000	0.000	0.000	0.000
154	A	191	VAL	0	0.001	-0.002	41.249	0.001	0.001	0.000	0.000	0.000	0.000
155	A	192	ILE	0	-0.008	-0.013	42.016	-0.002	-0.002	0.000	0.000	0.000	0.000
156	A	193	GLY	0	0.031	0.028	38.889	0.001	0.001	0.000	0.000	0.000	0.000
157	A	194	ARG	1	0.897	0.928	39.940	0.030	0.030	0.000	0.000	0.000	0.000
158	A	195	ASN	0	0.106	0.052	38.245	-0.001	-0.001	0.000	0.000	0.000	0.000
159	A	196	THR	0	-0.016	-0.022	35.441	-0.001	-0.001	0.000	0.000	0.000	0.000
160	A	197	PHE	0	0.025	0.026	31.984	-0.001	-0.001	0.000	0.000	0.000	0.000
161	A	198	GLU	-1	-0.723	-0.853	27.014	-0.074	-0.074	0.000	0.000	0.000	0.000
162	A	199	LEU	0	-0.021	-0.015	30.090	-0.002	-0.002	0.000	0.000	0.000	0.000
163	A	200	PRO	0	0.015	0.013	25.725	0.003	0.003	0.000	0.000	0.000	0.000
164	A	201	HIS	0	0.086	0.032	27.586	-0.007	-0.007	0.000	0.000	0.000	0.000
165	A	202	TRP	0	-0.040	-0.023	29.526	0.003	0.003	0.000	0.000	0.000	0.000
166	A	203	LYS	1	0.779	0.897	24.851	0.116	0.116	0.000	0.000	0.000	0.000
167	A	204	GLY	0	-0.024	-0.032	31.277	0.003	0.003	0.000	0.000	0.000	0.000
168	A	205	TYR	0	-0.054	0.013	34.455	0.005	0.005	0.000	0.000	0.000	0.000
169	A	206	ARG	1	0.898	0.931	36.545	0.043	0.043	0.000	0.000	0.000	0.000
170	A	207	GLY	0	0.041	0.008	39.870	0.003	0.003	0.000	0.000	0.000	0.000
171	A	208	GLY	0	-0.019	-0.005	41.864	0.001	0.001	0.000	0.000	0.000	0.000
172	A	209	THR	0	-0.087	-0.063	40.147	0.001	0.001	0.000	0.000	0.000	0.000
173	A	210	ARG	1	0.750	0.873	38.597	0.033	0.033	0.000	0.000	0.000	0.000
174	A	211	GLY	0	0.005	-0.013	37.554	0.002	0.002	0.000	0.000	0.000	0.000
175	A	212	LYS	1	0.836	0.931	38.548	0.035	0.035	0.000	0.000	0.000	0.000
176	A	213	ILE	0	0.012	0.005	38.018	-0.001	-0.001	0.000	0.000	0.000	0.000
177	A	214	TRP	0	-0.011	-0.017	42.187	0.003	0.003	0.000	0.000	0.000	0.000
178	A	215	ILE	0	-0.013	0.002	44.594	-0.001	-0.001	0.000	0.000	0.000	0.000
179	A	216	GLU	-1	-0.762	-0.859	46.791	-0.019	-0.019	0.000	0.000	0.000	0.000
180	A	217	VAL	0	-0.045	-0.044	49.770	0.001	0.001	0.000	0.000	0.000	0.000
181	A	218	ASN	0	0.010	0.003	52.477	0.002	0.002	0.000	0.000	0.000	0.000
182	A	219	SER	0	-0.012	-0.016	53.887	-0.001	-0.001	0.000	0.000	0.000	0.000
183	A	220	GLY	0	0.009	0.006	53.301	0.000	0.000	0.000	0.000	0.000	0.000
184	A	221	ALA	0	-0.025	-0.015	54.169	-0.001	-0.001	0.000	0.000	0.000	0.000
185	A	222	PHE	0	0.010	-0.012	47.570	0.000	0.000	0.000	0.000	0.000	0.000
186	A	223	LYS	1	0.950	0.979	49.924	0.017	0.017	0.000	0.000	0.000	0.000
187	A	224	LYS	1	0.909	0.968	46.251	0.025	0.025	0.000	0.000	0.000	0.000
188	A	225	ILE	0	-0.048	-0.034	43.686	0.001	0.001	0.000	0.000	0.000	0.000
189	A	226	VAL	0	0.017	0.016	39.658	0.001	0.001	0.000	0.000	0.000	0.000
190	A	227	ASP	-1	-0.792	-0.897	42.672	-0.032	-0.032	0.000	0.000	0.000	0.000
191	A	228	MET	0	0.009	0.022	37.695	0.002	0.002	0.000	0.000	0.000	0.000
192	A	229	SER	0	0.009	-0.003	41.016	-0.002	-0.002	0.000	0.000	0.000	0.000
193	A	230	THR	0	0.004	-0.011	36.159	0.000	0.000	0.000	0.000	0.000	0.000
194	A	231	HIS	0	0.037	0.022	32.931	0.005	0.005	0.000	0.000	0.000	0.000
195	A	232	VAL	0	-0.033	0.017	34.791	-0.001	-0.001	0.000	0.000	0.000	0.000
196	A	233	SER	0	-0.013	-0.035	30.167	0.001	0.001	0.000	0.000	0.000	0.000
197	A	234	SER	0	-0.023	-0.036	29.181	0.002	0.002	0.000	0.000	0.000	0.000
198	A	235	PRO	0	-0.007	-0.007	31.760	0.002	0.002	0.000	0.000	0.000	0.000
199	A	236	VAL	0	0.016	0.014	31.043	0.000	0.000	0.000	0.000	0.000	0.000
200	A	237	ILE	0	-0.008	-0.004	34.313	0.002	0.002	0.000	0.000	0.000	0.000
201	A	238	VAL	0	0.019	0.018	32.934	0.000	0.000	0.000	0.000	0.000	0.000
202	A	239	GLY	0	-0.005	0.007	36.297	0.001	0.001	0.000	0.000	0.000	0.000
203	A	240	HIS	0	-0.038	-0.024	39.554	-0.001	-0.001	0.000	0.000	0.000	0.000
204	A	241	ARG	1	0.803	0.901	38.103	0.014	0.014	0.000	0.000	0.000	0.000
205	A	242	ILE	0	0.003	0.006	37.192	-0.001	-0.001	0.000	0.000	0.000	0.000
206	A	243	TYR	0	0.002	-0.018	32.497	0.001	0.001	0.000	0.000	0.000	0.000
207	A	244	PHE	0	0.011	0.000	32.573	-0.002	-0.002	0.000	0.000	0.000	0.000
208	A	245	ILE	0	0.011	0.014	27.190	0.003	0.003	0.000	0.000	0.000	0.000
209	A	246	THR	0	-0.008	0.010	31.298	0.000	0.000	0.000	0.000	0.000	0.000
210	A	247	ASP	-1	-0.791	-0.908	30.833	-0.057	-0.057	0.000	0.000	0.000	0.000
211	A	248	ILE	0	-0.038	-0.010	32.581	0.001	0.001	0.000	0.000	0.000	0.000
212	A	249	ASP	-1	-0.836	-0.902	33.753	-0.026	-0.026	0.000	0.000	0.000	0.000
213	A	250	GLY	0	-0.048	-0.024	32.938	0.001	0.001	0.000	0.000	0.000	0.000
214	A	251	PHE	0	-0.049	-0.032	23.500	-0.005	-0.005	0.000	0.000	0.000	0.000
215	A	252	GLY	0	0.016	0.020	27.834	0.004	0.004	0.000	0.000	0.000	0.000
216	A	253	GLN	0	0.003	0.010	27.328	0.002	0.002	0.000	0.000	0.000	0.000
217	A	254	ILE	0	0.040	0.022	26.269	-0.002	-0.002	0.000	0.000	0.000	0.000
218	A	255	TYR	0	-0.072	-0.065	30.223	0.004	0.004	0.000	0.000	0.000	0.000
219	A	256	SER	0	0.002	-0.032	34.014	0.000	0.000	0.000	0.000	0.000	0.000
220	A	257	THR	0	-0.014	-0.001	36.680	0.000	0.000	0.000	0.000	0.000	0.000
221	A	258	ASP	-1	-0.740	-0.858	40.392	-0.015	-0.015	0.000	0.000	0.000	0.000
222	A	259	LEU	0	-0.002	-0.022	42.151	-0.002	-0.002	0.000	0.000	0.000	0.000
223	A	260	ASP	-1	-0.962	-0.991	44.433	-0.016	-0.016	0.000	0.000	0.000	0.000
224	A	261	GLY	0	-0.070	-0.029	43.309	0.000	0.000	0.000	0.000	0.000	0.000
225	A	262	LYS	1	0.847	0.928	44.213	0.016	0.016	0.000	0.000	0.000	0.000
226	A	263	ASP	-1	-0.819	-0.921	43.199	-0.011	-0.011	0.000	0.000	0.000	0.000
227	A	264	LEU	0	0.029	0.015	37.968	0.000	0.000	0.000	0.000	0.000	0.000
228	A	265	ARG	1	0.857	0.940	37.010	0.011	0.011	0.000	0.000	0.000	0.000
229	A	266	LYS	1	0.909	0.954	31.194	0.022	0.022	0.000	0.000	0.000	0.000
230	A	267	HIS	0	0.036	0.039	31.052	0.001	0.001	0.000	0.000	0.000	0.000
231	A	268	THR	0	0.022	0.012	26.646	0.001	0.001	0.000	0.000	0.000	0.000
232	A	269	SER	0	-0.025	-0.028	27.154	-0.001	-0.001	0.000	0.000	0.000	0.000
233	A	270	PHE	0	-0.008	0.003	22.739	0.002	0.002	0.000	0.000	0.000	0.000
234	A	271	THR	0	0.031	0.009	23.245	-0.001	-0.001	0.000	0.000	0.000	0.000
235	A	272	ASP	-1	-0.838	-0.887	18.458	-0.086	-0.086	0.000	0.000	0.000	0.000
236	A	273	TYR	0	-0.034	-0.059	15.933	-0.012	-0.012	0.000	0.000	0.000	0.000
237	A	274	TYR	0	0.007	-0.009	21.065	0.013	0.013	0.000	0.000	0.000	0.000
238	A	275	PRO	0	-0.048	0.009	22.526	-0.011	-0.011	0.000	0.000	0.000	0.000
239	A	276	ARG	1	0.824	0.895	23.095	0.104	0.104	0.000	0.000	0.000	0.000
240	A	277	HIS	0	-0.014	0.003	24.122	-0.003	-0.003	0.000	0.000	0.000	0.000
241	A	278	LEU	0	-0.022	0.001	25.657	0.001	0.001	0.000	0.000	0.000	0.000
242	A	279	ASN	0	-0.002	-0.009	26.779	0.006	0.006	0.000	0.000	0.000	0.000
243	A	280	THR	0	-0.060	-0.041	28.246	0.004	0.004	0.000	0.000	0.000	0.000
244	A	281	ASP	-1	-0.755	-0.858	30.055	-0.016	-0.016	0.000	0.000	0.000	0.000
245	A	282	GLY	0	-0.025	-0.012	31.864	0.003	0.003	0.000	0.000	0.000	0.000
246	A	283	ARG	1	0.881	0.943	32.007	-0.002	-0.002	0.000	0.000	0.000	0.000
247	A	284	ARG	1	0.907	0.950	24.678	-0.003	-0.003	0.000	0.000	0.000	0.000
248	A	285	ILE	0	0.013	0.025	27.193	-0.004	-0.004	0.000	0.000	0.000	0.000
249	A	286	LEU	0	-0.008	0.020	21.455	0.003	0.003	0.000	0.000	0.000	0.000
250	A	287	PHE	0	-0.021	-0.017	21.822	-0.001	-0.001	0.000	0.000	0.000	0.000
251	A	288	SER	0	0.008	0.015	19.263	-0.006	-0.006	0.000	0.000	0.000	0.000
252	A	289	LYS	1	0.869	0.916	18.372	0.090	0.090	0.000	0.000	0.000	0.000
253	A	290	GLY	0	0.018	0.007	16.656	-0.004	-0.004	0.000	0.000	0.000	0.000
254	A	291	GLY	0	0.030	0.022	13.804	-0.032	-0.032	0.000	0.000	0.000	0.000
255	A	292	SER	0	-0.008	0.006	12.842	-0.011	-0.011	0.000	0.000	0.000	0.000
256	A	293	ILE	0	0.030	0.018	14.777	0.010	0.010	0.000	0.000	0.000	0.000
257	A	294	TYR	0	-0.027	-0.025	16.620	0.014	0.014	0.000	0.000	0.000	0.000
258	A	295	ILE	0	0.025	0.016	19.930	-0.006	-0.006	0.000	0.000	0.000	0.000
259	A	296	PHE	0	-0.035	-0.027	23.183	0.006	0.006	0.000	0.000	0.000	0.000
260	A	297	ASN	0	-0.027	-0.024	25.875	0.000	0.000	0.000	0.000	0.000	0.000
261	A	298	PRO	0	0.008	0.005	29.045	0.002	0.002	0.000	0.000	0.000	0.000
262	A	299	ASP	-1	-0.927	-0.948	32.417	0.003	0.003	0.000	0.000	0.000	0.000
263	A	300	THR	0	-0.081	-0.053	30.069	0.002	0.002	0.000	0.000	0.000	0.000
264	A	301	GLU	-1	-0.909	-0.949	30.765	-0.003	-0.003	0.000	0.000	0.000	0.000
265	A	302	LYS	1	0.945	0.970	24.165	-0.039	-0.039	0.000	0.000	0.000	0.000
266	A	303	ILE	0	-0.009	-0.013	21.805	-0.004	-0.004	0.000	0.000	0.000	0.000
267	A	304	GLU	-1	-0.946	-0.975	20.723	0.032	0.032	0.000	0.000	0.000	0.000
268	A	305	LYS	1	0.894	0.948	11.522	0.009	0.009	0.000	0.000	0.000	0.000
269	A	306	ILE	0	0.015	0.011	16.363	0.021	0.021	0.000	0.000	0.000	0.000
270	A	307	GLU	-1	-0.948	-0.977	11.853	0.089	0.089	0.000	0.000	0.000	0.000
271	A	308	ILE	0	-0.036	-0.011	12.060	0.014	0.014	0.000	0.000	0.000	0.000
272	A	309	GLY	0	-0.007	-0.006	7.923	0.048	0.048	0.000	0.000	0.000	0.000
273	A	310	ASP	-1	-0.894	-0.963	3.449	-1.566	-1.020	0.039	-0.369	-0.216	-0.002
274	A	311	LEU	0	-0.030	-0.009	7.067	0.144	0.144	0.000	0.000	0.000	0.000
275	A	312	GLU	-1	-0.852	-0.915	9.943	-0.210	-0.210	0.000	0.000	0.000	0.000
276	A	313	SER	0	0.002	-0.003	7.698	-0.134	-0.134	0.000	0.000	0.000	0.000
277	A	314	PRO	0	-0.002	0.006	10.123	0.070	0.070	0.000	0.000	0.000	0.000
278	A	315	GLU	-1	-0.909	-0.957	12.936	-0.317	-0.317	0.000	0.000	0.000	0.000
279	A	316	ASP	-1	-0.728	-0.805	12.960	-0.454	-0.454	0.000	0.000	0.000	0.000
280	A	317	ARG	1	0.926	0.969	14.955	0.196	0.196	0.000	0.000	0.000	0.000
281	A	318	ILE	0	0.029	0.020	18.314	0.022	0.022	0.000	0.000	0.000	0.000
282	A	319	ILE	0	-0.012	-0.027	21.051	0.014	0.014	0.000	0.000	0.000	0.000
283	A	320	SER	0	-0.025	-0.006	24.831	-0.003	-0.003	0.000	0.000	0.000	0.000
284	A	321	ILE	0	-0.002	-0.003	27.378	0.006	0.006	0.000	0.000	0.000	0.000
285	A	322	PRO	0	0.021	0.005	31.173	-0.003	-0.003	0.000	0.000	0.000	0.000
286	A	323	SER	0	-0.021	-0.065	32.692	-0.002	-0.002	0.000	0.000	0.000	0.000
287	A	324	LYS	1	0.894	0.949	31.624	0.094	0.094	0.000	0.000	0.000	0.000
288	A	325	PHE	0	-0.021	-0.012	28.245	-0.006	-0.006	0.000	0.000	0.000	0.000
289	A	326	ALA	0	-0.018	-0.002	32.101	-0.001	-0.001	0.000	0.000	0.000	0.000
290	A	327	GLU	-1	-0.940	-0.975	32.695	-0.098	-0.098	0.000	0.000	0.000	0.000
291	A	328	ASP	-1	-0.819	-0.906	36.674	-0.060	-0.060	0.000	0.000	0.000	0.000
292	A	329	PHE	0	0.042	0.024	38.856	-0.002	-0.002	0.000	0.000	0.000	0.000
293	A	330	SER	0	0.000	-0.026	41.244	0.003	0.003	0.000	0.000	0.000	0.000
294	A	331	PRO	0	0.009	0.007	43.746	-0.001	-0.001	0.000	0.000	0.000	0.000
295	A	332	LEU	0	-0.048	-0.023	41.680	0.000	0.000	0.000	0.000	0.000	0.000
296	A	333	ASP	-1	-0.782	-0.876	46.365	-0.034	-0.034	0.000	0.000	0.000	0.000
297	A	334	GLY	0	-0.048	-0.039	47.745	-0.001	-0.001	0.000	0.000	0.000	0.000
298	A	335	ASP	-1	-0.841	-0.900	49.055	-0.037	-0.037	0.000	0.000	0.000	0.000
299	A	336	LEU	0	-0.060	-0.007	43.408	-0.001	-0.001	0.000	0.000	0.000	0.000
300	A	337	ILE	0	0.002	-0.010	41.767	0.001	0.001	0.000	0.000	0.000	0.000
301	A	338	ALA	0	-0.006	-0.004	39.727	-0.001	-0.001	0.000	0.000	0.000	0.000
302	A	339	PHE	0	-0.022	-0.016	34.523	0.001	0.001	0.000	0.000	0.000	0.000
303	A	340	VAL	0	0.028	0.024	32.983	-0.003	-0.003	0.000	0.000	0.000	0.000
304	A	341	SER	0	-0.013	-0.024	31.838	-0.001	-0.001	0.000	0.000	0.000	0.000
305	A	342	ARG	1	0.831	0.894	22.835	0.172	0.172	0.000	0.000	0.000	0.000
306	A	343	GLY	0	-0.017	-0.003	27.322	-0.009	-0.009	0.000	0.000	0.000	0.000
307	A	344	GLN	0	-0.013	-0.001	25.836	0.010	0.010	0.000	0.000	0.000	0.000
308	A	345	ALA	0	0.052	0.037	29.837	0.005	0.005	0.000	0.000	0.000	0.000
309	A	346	PHE	0	-0.044	-0.027	30.029	-0.001	-0.001	0.000	0.000	0.000	0.000
310	A	347	ILE	0	0.010	0.018	35.384	0.003	0.003	0.000	0.000	0.000	0.000
311	A	348	GLN	0	-0.056	-0.053	38.432	-0.005	-0.005	0.000	0.000	0.000	0.000
312	A	349	ASP	-1	-0.651	-0.771	40.476	-0.045	-0.045	0.000	0.000	0.000	0.000
313	A	350	VAL	0	0.052	0.006	42.740	-0.002	-0.002	0.000	0.000	0.000	0.000
314	A	351	SER	0	-0.088	-0.079	44.013	-0.001	-0.001	0.000	0.000	0.000	0.000
315	A	352	GLY	0	0.058	0.040	40.059	-0.002	-0.002	0.000	0.000	0.000	0.000
316	A	353	THR	0	-0.106	-0.060	39.107	-0.002	-0.002	0.000	0.000	0.000	0.000
317	A	354	TYR	0	-0.115	-0.059	39.576	0.000	0.000	0.000	0.000	0.000	0.000
318	A	355	VAL	0	0.004	-0.001	34.923	-0.001	-0.001	0.000	0.000	0.000	0.000
319	A	356	LEU	0	-0.016	-0.010	35.211	-0.001	-0.001	0.000	0.000	0.000	0.000
320	A	357	LYS	1	0.916	0.962	25.981	0.120	0.120	0.000	0.000	0.000	0.000
321	A	358	VAL	0	-0.003	-0.004	32.663	0.003	0.003	0.000	0.000	0.000	0.000
322	A	359	PRO	0	-0.066	-0.025	29.843	-0.008	-0.008	0.000	0.000	0.000	0.000
323	A	360	GLU	-1	-0.838	-0.937	28.891	-0.076	-0.076	0.000	0.000	0.000	0.000
324	A	361	PRO	0	-0.082	-0.037	24.343	-0.008	-0.008	0.000	0.000	0.000	0.000
325	A	362	LEU	0	0.011	-0.016	21.962	0.009	0.009	0.000	0.000	0.000	0.000
326	A	363	ARG	1	0.826	0.916	25.478	0.121	0.121	0.000	0.000	0.000	0.000
327	A	364	ILE	0	0.021	0.042	28.398	0.007	0.007	0.000	0.000	0.000	0.000
328	A	365	ARG	1	0.723	0.825	30.055	0.096	0.096	0.000	0.000	0.000	0.000
329	A	366	TYR	0	-0.003	0.002	34.003	0.002	0.002	0.000	0.000	0.000	0.000
330	A	367	VAL	0	0.008	0.004	36.324	-0.001	-0.001	0.000	0.000	0.000	0.000
331	A	368	ARG	1	0.821	0.896	38.950	0.057	0.057	0.000	0.000	0.000	0.000
332	A	369	ARG	1	0.861	0.941	42.654	0.036	0.036	0.000	0.000	0.000	0.000
333	A	370	GLY	0	0.019	-0.008	44.640	0.001	0.001	0.000	0.000	0.000	0.000
334	A	371	GLY	0	-0.041	-0.039	45.534	0.002	0.002	0.000	0.000	0.000	0.000
335	A	372	ASP	-1	-0.907	-0.939	47.300	-0.032	-0.032	0.000	0.000	0.000	0.000
336	A	373	THR	0	-0.071	-0.053	44.321	0.000	0.000	0.000	0.000	0.000	0.000
337	A	374	LYS	1	0.923	0.965	42.565	0.034	0.034	0.000	0.000	0.000	0.000
338	A	375	VAL	0	0.009	0.019	38.726	0.001	0.001	0.000	0.000	0.000	0.000
339	A	376	ALA	0	0.051	0.033	40.137	-0.001	-0.001	0.000	0.000	0.000	0.000
340	A	377	PHE	0	-0.010	-0.024	33.429	-0.002	-0.002	0.000	0.000	0.000	0.000
341	A	378	ILE	0	0.017	0.020	34.790	0.002	0.002	0.000	0.000	0.000	0.000
342	A	379	HIS	0	0.000	-0.004	27.425	0.003	0.003	0.000	0.000	0.000	0.000
343	A	380	GLY	0	0.044	0.026	30.503	0.005	0.005	0.000	0.000	0.000	0.000
344	A	381	THR	0	-0.042	-0.019	26.620	-0.009	-0.009	0.000	0.000	0.000	0.000
345	A	382	ARG	1	0.916	0.957	23.099	0.138	0.138	0.000	0.000	0.000	0.000
346	A	383	GLU	-1	-0.902	-0.960	26.522	-0.085	-0.085	0.000	0.000	0.000	0.000
347	A	384	GLY	0	-0.050	-0.005	29.456	0.007	0.007	0.000	0.000	0.000	0.000
348	A	385	ASP	-1	-0.731	-0.832	31.380	-0.090	-0.090	0.000	0.000	0.000	0.000
349	A	386	PHE	0	-0.021	0.002	30.999	0.003	0.003	0.000	0.000	0.000	0.000
350	A	387	LEU	0	-0.006	0.006	35.128	-0.003	-0.003	0.000	0.000	0.000	0.000
351	A	388	GLY	0	0.030	0.022	35.998	0.000	0.000	0.000	0.000	0.000	0.000
352	A	389	ILE	0	-0.025	-0.009	37.019	0.001	0.001	0.000	0.000	0.000	0.000
353	A	390	TYR	0	0.027	0.005	35.747	-0.001	-0.001	0.000	0.000	0.000	0.000
354	A	391	ASP	-1	-0.822	-0.924	38.312	-0.037	-0.037	0.000	0.000	0.000	0.000
355	A	392	TYR	0	0.042	0.024	38.956	-0.001	-0.001	0.000	0.000	0.000	0.000
356	A	393	ARG	1	0.902	0.968	39.995	0.032	0.032	0.000	0.000	0.000	0.000
357	A	394	THR	0	-0.089	-0.057	41.368	0.000	0.000	0.000	0.000	0.000	0.000
358	A	395	GLY	0	0.046	0.024	37.378	0.000	0.000	0.000	0.000	0.000	0.000
359	A	396	LYS	1	0.876	0.955	36.100	0.033	0.033	0.000	0.000	0.000	0.000
360	A	397	ALA	0	0.012	-0.011	33.830	0.000	0.000	0.000	0.000	0.000	0.000
361	A	398	GLU	-1	-0.943	-0.956	35.254	-0.041	-0.041	0.000	0.000	0.000	0.000
362	A	399	LYS	1	0.893	0.941	30.111	0.075	0.075	0.000	0.000	0.000	0.000
363	A	400	PHE	0	0.007	0.015	35.258	0.001	0.001	0.000	0.000	0.000	0.000
364	A	401	GLU	-1	-0.905	-0.961	34.712	-0.049	-0.049	0.000	0.000	0.000	0.000
365	A	402	GLU	-1	-0.971	-0.985	35.657	-0.043	-0.043	0.000	0.000	0.000	0.000
366	A	403	ASN	0	-0.034	-0.018	33.541	-0.003	-0.003	0.000	0.000	0.000	0.000
367	A	404	LEU	0	-0.012	-0.017	36.372	0.004	0.004	0.000	0.000	0.000	0.000
368	A	405	GLY	0	-0.011	0.003	36.578	0.002	0.002	0.000	0.000	0.000	0.000
369	A	406	ASN	0	-0.091	-0.054	34.085	-0.008	-0.008	0.000	0.000	0.000	0.000
370	A	407	VAL	0	-0.001	-0.012	36.442	0.004	0.004	0.000	0.000	0.000	0.000
371	A	408	PHE	0	-0.019	-0.036	36.605	-0.005	-0.005	0.000	0.000	0.000	0.000
372	A	409	ALA	0	-0.007	0.006	40.109	0.001	0.001	0.000	0.000	0.000	0.000
373	A	410	MET	0	-0.026	-0.007	40.101	0.001	0.001	0.000	0.000	0.000	0.000
374	A	411	GLY	0	0.011	0.013	43.204	0.000	0.000	0.000	0.000	0.000	0.000
375	A	412	VAL	0	0.010	0.004	44.549	0.000	0.000	0.000	0.000	0.000	0.000
376	A	413	ASP	-1	-0.723	-0.817	47.351	-0.031	-0.031	0.000	0.000	0.000	0.000
377	A	414	ARG	1	0.941	0.969	50.244	0.028	0.028	0.000	0.000	0.000	0.000
378	A	415	ASN	0	-0.115	-0.075	52.593	0.001	0.001	0.000	0.000	0.000	0.000
379	A	416	GLY	0	-0.022	0.003	48.682	0.000	0.000	0.000	0.000	0.000	0.000
380	A	417	LYS	1	0.920	0.943	48.529	0.027	0.027	0.000	0.000	0.000	0.000
381	A	418	PHE	0	-0.003	-0.019	47.522	0.000	0.000	0.000	0.000	0.000	0.000
382	A	419	ALA	0	0.036	0.022	44.258	0.000	0.000	0.000	0.000	0.000	0.000
383	A	420	VAL	0	-0.021	-0.014	46.202	0.001	0.001	0.000	0.000	0.000	0.000
384	A	421	VAL	0	0.006	-0.006	41.071	-0.002	-0.002	0.000	0.000	0.000	0.000
385	A	422	ALA	0	0.053	0.030	43.156	0.002	0.002	0.000	0.000	0.000	0.000
386	A	423	ASN	0	0.032	0.007	40.144	-0.002	-0.002	0.000	0.000	0.000	0.000
387	A	424	ASP	-1	-0.833	-0.931	37.971	-0.061	-0.061	0.000	0.000	0.000	0.000
388	A	425	ARG	1	0.876	0.966	40.791	0.046	0.046	0.000	0.000	0.000	0.000
389	A	426	PHE	0	-0.045	-0.017	43.083	0.002	0.002	0.000	0.000	0.000	0.000
390	A	427	GLU	-1	-0.852	-0.928	44.076	-0.039	-0.039	0.000	0.000	0.000	0.000
391	A	428	ILE	0	0.023	0.029	45.781	-0.002	-0.002	0.000	0.000	0.000	0.000
392	A	429	MET	0	-0.022	-0.020	42.401	0.002	0.002	0.000	0.000	0.000	0.000
393	A	430	THR	0	0.011	0.006	46.998	-0.001	-0.001	0.000	0.000	0.000	0.000
394	A	431	VAL	0	-0.003	-0.006	42.039	0.000	0.000	0.000	0.000	0.000	0.000
395	A	432	ASP	-1	-0.862	-0.922	45.464	-0.032	-0.032	0.000	0.000	0.000	0.000
396	A	433	LEU	0	-0.048	-0.019	43.351	-0.002	-0.002	0.000	0.000	0.000	0.000
397	A	434	GLU	-1	-0.998	-0.999	44.278	-0.028	-0.028	0.000	0.000	0.000	0.000
398	A	435	THR	0	-0.038	-0.035	44.423	0.000	0.000	0.000	0.000	0.000	0.000
399	A	436	GLY	0	0.052	0.026	41.793	-0.001	-0.001	0.000	0.000	0.000	0.000
400	A	437	LYS	1	0.965	0.980	42.466	0.027	0.027	0.000	0.000	0.000	0.000
401	A	438	PRO	0	0.016	0.006	42.506	0.001	0.001	0.000	0.000	0.000	0.000
402	A	439	THR	0	-0.082	-0.042	45.247	0.003	0.003	0.000	0.000	0.000	0.000
403	A	440	VAL	0	-0.003	-0.003	46.526	-0.001	-0.001	0.000	0.000	0.000	0.000
404	A	441	ILE	0	-0.069	-0.018	48.890	0.002	0.002	0.000	0.000	0.000	0.000
405	A	442	GLU	-1	-0.793	-0.849	50.891	-0.028	-0.028	0.000	0.000	0.000	0.000
406	A	443	ARG	1	0.906	0.945	44.952	0.038	0.038	0.000	0.000	0.000	0.000
407	A	444	SER	0	0.008	0.023	49.643	0.001	0.001	0.000	0.000	0.000	0.000
408	A	445	ARG	1	0.894	0.927	49.362	0.030	0.030	0.000	0.000	0.000	0.000
409	A	446	GLU	-1	-0.878	-0.944	50.123	-0.034	-0.034	0.000	0.000	0.000	0.000
410	A	447	ALA	0	0.013	0.005	47.023	-0.002	-0.002	0.000	0.000	0.000	0.000
411	A	448	MET	0	-0.035	-0.015	41.510	0.000	0.000	0.000	0.000	0.000	0.000
412	A	449	ILE	0	-0.001	0.014	46.292	0.001	0.001	0.000	0.000	0.000	0.000
413	A	450	THR	0	0.002	-0.024	44.025	0.000	0.000	0.000	0.000	0.000	0.000
414	A	451	ASP	-1	-0.833	-0.887	46.947	-0.038	-0.038	0.000	0.000	0.000	0.000
415	A	452	PHE	0	0.017	-0.010	45.747	0.002	0.002	0.000	0.000	0.000	0.000
416	A	453	THR	0	-0.028	-0.005	51.135	-0.001	-0.001	0.000	0.000	0.000	0.000
417	A	454	ILE	0	-0.004	-0.010	49.696	0.001	0.001	0.000	0.000	0.000	0.000
418	A	455	SER	0	-0.030	0.006	54.138	0.000	0.000	0.000	0.000	0.000	0.000
419	A	456	ASP	-1	-0.713	-0.850	56.460	-0.029	-0.029	0.000	0.000	0.000	0.000
420	A	457	ASN	0	-0.045	-0.009	57.612	-0.001	-0.001	0.000	0.000	0.000	0.000
421	A	458	SER	0	-0.041	-0.041	54.174	0.001	0.001	0.000	0.000	0.000	0.000
422	A	459	ARG	1	0.879	0.964	56.326	0.021	0.021	0.000	0.000	0.000	0.000
423	A	460	PHE	0	-0.007	-0.018	58.199	0.000	0.000	0.000	0.000	0.000	0.000
424	A	461	ILE	0	0.003	0.015	51.767	-0.001	-0.001	0.000	0.000	0.000	0.000
425	A	462	ALA	0	-0.018	0.005	55.335	0.001	0.001	0.000	0.000	0.000	0.000
426	A	463	TYR	0	-0.041	-0.104	52.338	-0.001	-0.001	0.000	0.000	0.000	0.000
427	A	464	GLY	0	0.032	0.036	53.348	0.002	0.002	0.000	0.000	0.000	0.000
428	A	465	PHE	0	-0.019	-0.033	52.727	-0.002	-0.002	0.000	0.000	0.000	0.000
429	A	466	PRO	0	-0.031	-0.009	50.395	0.001	0.001	0.000	0.000	0.000	0.000
430	A	467	LEU	0	0.011	0.014	53.626	0.000	0.000	0.000	0.000	0.000	0.000
431	A	468	LYS	1	0.857	0.930	53.256	0.032	0.032	0.000	0.000	0.000	0.000
432	A	469	HIS	0	-0.059	-0.039	57.491	0.001	0.001	0.000	0.000	0.000	0.000
433	A	470	GLY	0	0.008	-0.009	59.655	0.001	0.001	0.000	0.000	0.000	0.000
434	A	471	GLU	-1	-0.963	-0.993	53.782	-0.030	-0.030	0.000	0.000	0.000	0.000
435	A	472	THR	0	-0.043	-0.033	54.969	-0.001	-0.001	0.000	0.000	0.000	0.000
436	A	473	ASP	-1	-0.829	-0.858	56.837	-0.026	-0.026	0.000	0.000	0.000	0.000
437	A	474	GLY	0	0.008	-0.008	56.012	-0.001	-0.001	0.000	0.000	0.000	0.000
438	A	475	TYR	0	-0.022	-0.016	55.734	-0.001	-0.001	0.000	0.000	0.000	0.000
439	A	476	VAL	0	-0.003	0.008	52.003	0.001	0.001	0.000	0.000	0.000	0.000
440	A	477	MET	0	-0.050	-0.004	55.321	0.000	0.000	0.000	0.000	0.000	0.000
441	A	478	GLN	0	0.036	0.002	52.314	-0.001	-0.001	0.000	0.000	0.000	0.000
442	A	479	ALA	0	0.052	0.030	56.864	0.001	0.001	0.000	0.000	0.000	0.000
443	A	480	ILE	0	-0.029	-0.006	57.167	-0.001	-0.001	0.000	0.000	0.000	0.000
444	A	481	HIS	0	-0.032	-0.026	56.606	0.002	0.002	0.000	0.000	0.000	0.000
445	A	482	VAL	0	0.006	-0.020	57.454	-0.001	-0.001	0.000	0.000	0.000	0.000
446	A	483	TYR	0	0.014	0.009	54.461	0.001	0.001	0.000	0.000	0.000	0.000
447	A	484	ASP	-1	-0.810	-0.913	57.674	-0.023	-0.023	0.000	0.000	0.000	0.000
448	A	485	MET	0	0.020	-0.004	52.634	0.000	0.000	0.000	0.000	0.000	0.000
449	A	486	GLU	-1	-0.965	-0.975	57.656	-0.020	-0.020	0.000	0.000	0.000	0.000
450	A	487	GLY	0	-0.071	-0.052	60.500	0.001	0.001	0.000	0.000	0.000	0.000
451	A	488	ARG	1	0.886	0.951	55.903	0.024	0.024	0.000	0.000	0.000	0.000
452	A	489	LYS	1	0.922	0.985	58.582	0.021	0.021	0.000	0.000	0.000	0.000
453	A	490	ILE	0	0.032	0.011	55.774	0.000	0.000	0.000	0.000	0.000	0.000
454	A	491	PHE	0	-0.040	-0.022	59.843	0.001	0.001	0.000	0.000	0.000	0.000
455	A	492	ALA	0	0.063	0.037	61.256	-0.001	-0.001	0.000	0.000	0.000	0.000
456	A	493	ALA	0	-0.004	-0.033	61.693	0.001	0.001	0.000	0.000	0.000	0.000
457	A	494	THR	0	-0.080	-0.018	61.102	0.001	0.001	0.000	0.000	0.000	0.000
458	A	495	THR	0	-0.009	-0.012	63.508	0.000	0.000	0.000	0.000	0.000	0.000
459	A	496	GLU	-1	-0.879	-0.962	61.475	-0.025	-0.025	0.000	0.000	0.000	0.000
460	A	497	ASN	0	-0.040	-0.022	62.344	0.000	0.000	0.000	0.000	0.000	0.000
461	A	498	SER	0	0.014	0.011	61.726	0.000	0.000	0.000	0.000	0.000	0.000
462	A	499	HIS	0	0.039	0.023	54.331	-0.001	-0.001	0.000	0.000	0.000	0.000
463	A	500	ASP	-1	-0.764	-0.855	58.615	-0.026	-0.026	0.000	0.000	0.000	0.000
464	A	501	TYR	0	0.020	-0.010	54.584	-0.001	-0.001	0.000	0.000	0.000	0.000
465	A	502	ALA	0	-0.004	-0.014	54.492	0.001	0.001	0.000	0.000	0.000	0.000
466	A	503	PRO	0	-0.044	-0.012	54.579	0.001	0.001	0.000	0.000	0.000	0.000
467	A	504	ALA	0	0.020	-0.005	55.958	-0.001	-0.001	0.000	0.000	0.000	0.000
468	A	505	PHE	0	0.009	0.006	57.233	0.001	0.001	0.000	0.000	0.000	0.000
469	A	506	ASP	-1	-0.762	-0.887	59.947	-0.024	-0.024	0.000	0.000	0.000	0.000
470	A	507	ALA	0	0.008	-0.002	60.922	0.000	0.000	0.000	0.000	0.000	0.000
471	A	508	ASP	-1	-0.919	-0.953	61.995	-0.021	-0.021	0.000	0.000	0.000	0.000
472	A	509	SER	0	-0.051	-0.024	61.409	0.000	0.000	0.000	0.000	0.000	0.000
473	A	510	LYS	1	0.924	0.966	63.231	0.020	0.020	0.000	0.000	0.000	0.000
474	A	511	ASN	0	-0.036	-0.019	65.234	0.001	0.001	0.000	0.000	0.000	0.000
475	A	512	LEU	0	0.009	0.021	59.318	-0.001	-0.001	0.000	0.000	0.000	0.000
476	A	513	TYR	0	-0.007	-0.024	61.629	0.001	0.001	0.000	0.000	0.000	0.000
477	A	514	TYR	0	0.001	0.004	59.770	-0.001	-0.001	0.000	0.000	0.000	0.000
478	A	515	LEU	0	-0.012	0.019	57.392	0.001	0.001	0.000	0.000	0.000	0.000
479	A	516	SER	0	0.022	0.006	60.019	0.000	0.000	0.000	0.000	0.000	0.000
480	A	517	TYR	0	-0.035	-0.011	56.149	0.000	0.000	0.000	0.000	0.000	0.000
481	A	518	ARG	1	0.814	0.866	61.769	0.025	0.025	0.000	0.000	0.000	0.000
482	A	519	SER	0	-0.088	-0.023	65.212	0.001	0.001	0.000	0.000	0.000	0.000
483	A	520	LEU	0	-0.023	-0.021	64.934	0.000	0.000	0.000	0.000	0.000	0.000
484	A	521	ASP	-1	-0.882	-0.944	67.534	-0.020	-0.020	0.000	0.000	0.000	0.000
485	A	522	PRO	0	-0.068	-0.025	67.471	-0.001	-0.001	0.000	0.000	0.000	0.000
486	A	523	SER	0	0.024	0.018	65.469	0.000	0.000	0.000	0.000	0.000	0.000
487	A	524	PRO	0	-0.055	-0.031	67.036	0.000	0.000	0.000	0.000	0.000	0.000
488	A	525	ASP	-1	-0.810	-0.868	63.522	-0.026	-0.026	0.000	0.000	0.000	0.000
489	A	526	ARG	1	0.901	0.927	65.570	0.023	0.023	0.000	0.000	0.000	0.000
490	A	527	VAL	0	-0.026	-0.008	63.858	0.001	0.001	0.000	0.000	0.000	0.000
491	A	528	VAL	0	-0.020	-0.026	63.867	0.001	0.001	0.000	0.000	0.000	0.000
492	A	529	LEU	0	-0.025	-0.008	66.924	0.000	0.000	0.000	0.000	0.000	0.000
493	A	530	ASN	0	-0.012	-0.028	62.882	0.000	0.000	0.000	0.000	0.000	0.000
494	A	531	PHE	0	-0.016	-0.012	66.335	0.001	0.001	0.000	0.000	0.000	0.000
495	A	532	SER	0	-0.017	0.001	61.860	0.000	0.000	0.000	0.000	0.000	0.000
496	A	533	PHE	0	0.002	-0.014	62.544	0.001	0.001	0.000	0.000	0.000	0.000
497	A	534	GLU	-1	-0.857	-0.918	60.306	-0.031	-0.031	0.000	0.000	0.000	0.000
498	A	535	VAL	0	-0.034	-0.009	61.450	-0.001	-0.001	0.000	0.000	0.000	0.000
499	A	536	VAL	0	0.028	0.014	62.364	0.001	0.001	0.000	0.000	0.000	0.000
500	A	537	SER	0	-0.050	-0.011	60.040	0.000	0.000	0.000	0.000	0.000	0.000
501	A	538	LYS	1	0.875	0.931	62.470	0.023	0.023	0.000	0.000	0.000	0.000
502	A	539	PRO	0	0.010	0.008	63.086	0.000	0.000	0.000	0.000	0.000	0.000
503	A	540	PHE	0	-0.013	-0.023	64.082	0.002	0.002	0.000	0.000	0.000	0.000
504	A	541	VAL	0	-0.041	-0.019	64.707	-0.001	-0.001	0.000	0.000	0.000	0.000
505	A	542	ILE	0	0.006	-0.005	64.595	0.001	0.001	0.000	0.000	0.000	0.000
506	A	543	PRO	0	0.005	0.033	66.689	0.000	0.000	0.000	0.000	0.000	0.000
507	A	544	LEU	0	0.006	-0.029	63.403	0.000	0.000	0.000	0.000	0.000	0.000
508	A	545	ILE	0	-0.029	-0.001	67.784	0.000	0.000	0.000	0.000	0.000	0.000
509	A	546	PRO	0	0.021	0.002	71.247	0.000	0.000	0.000	0.000	0.000	0.000
510	A	547	GLY	0	0.000	0.003	73.947	0.000	0.000	0.000	0.000	0.000	0.000
511	A	548	SER	0	-0.025	0.004	72.598	0.000	0.000	0.000	0.000	0.000	0.000
512	A	549	PRO	0	-0.003	-0.007	74.163	0.000	0.000	0.000	0.000	0.000	0.000
513	A	550	ASN	0	0.044	0.009	71.014	-0.001	-0.001	0.000	0.000	0.000	0.000
514	A	551	PRO	0	0.075	0.038	68.952	0.001	0.001	0.000	0.000	0.000	0.000
515	A	552	THR	0	-0.060	-0.049	68.874	0.000	0.000	0.000	0.000	0.000	0.000
516	A	553	LYS	1	0.894	0.940	72.010	0.018	0.018	0.000	0.000	0.000	0.000
517	A	554	LEU	0	-0.060	-0.020	74.452	0.001	0.001	0.000	0.000	0.000	0.000
518	A	555	VAL	0	0.013	0.020	76.903	0.000	0.000	0.000	0.000	0.000	0.000
519	A	556	PRO	0	0.010	-0.001	78.966	0.000	0.000	0.000	0.000	0.000	0.000
520	A	557	ARG	1	0.972	0.970	78.751	0.015	0.015	0.000	0.000	0.000	0.000
521	A	558	SER	0	-0.054	-0.019	80.600	0.000	0.000	0.000	0.000	0.000	0.000
522	A	559	MET	0	-0.066	-0.030	83.423	0.000	0.000	0.000	0.000	0.000	0.000
523	A	560	THR	0	-0.024	-0.003	78.340	0.000	0.000	0.000	0.000	0.000	0.000
524	A	561	SER	0	-0.036	-0.011	81.171	0.000	0.000	0.000	0.000	0.000	0.000
525	A	562	GLU	-1	-0.813	-0.918	77.084	-0.015	-0.015	0.000	0.000	0.000	0.000
526	A	563	ALA	0	-0.034	-0.014	76.560	0.000	0.000	0.000	0.000	0.000	0.000
527	A	564	GLY	0	0.039	0.023	75.502	0.000	0.000	0.000	0.000	0.000	0.000
528	A	565	GLU	-1	-0.975	-0.994	70.730	-0.017	-0.017	0.000	0.000	0.000	0.000
529	A	566	TYR	0	-0.093	-0.073	65.035	0.000	0.000	0.000	0.000	0.000	0.000
530	A	567	ASP	-1	-0.792	-0.905	69.133	-0.017	-0.017	0.000	0.000	0.000	0.000
531	A	568	LEU	0	-0.013	-0.011	62.980	0.000	0.000	0.000	0.000	0.000	0.000
532	A	569	ASN	0	0.003	0.000	66.898	-0.001	-0.001	0.000	0.000	0.000	0.000
533	A	570	ASP	-1	-0.947	-0.977	69.007	-0.018	-0.018	0.000	0.000	0.000	0.000
534	A	571	MET	0	-0.016	0.014	63.234	0.000	0.000	0.000	0.000	0.000	0.000
535	A	572	TYR	0	0.056	0.032	66.445	0.000	0.000	0.000	0.000	0.000	0.000
536	A	573	LYS	1	0.858	0.930	68.115	0.018	0.018	0.000	0.000	0.000	0.000
537	A	574	ARG	1	0.802	0.913	69.117	0.020	0.020	0.000	0.000	0.000	0.000
538	A	575	SER	0	-0.036	0.012	67.983	0.000	0.000	0.000	0.000	0.000	0.000
539	A	576	SER	0	-0.021	0.008	69.504	0.001	0.001	0.000	0.000	0.000	0.000
540	A	577	PRO	0	0.016	0.013	68.759	-0.001	-0.001	0.000	0.000	0.000	0.000
541	A	578	ILE	0	0.035	0.021	66.335	0.001	0.001	0.000	0.000	0.000	0.000
542	A	579	ASN	0	-0.100	-0.060	69.416	0.000	0.000	0.000	0.000	0.000	0.000
543	A	580	VAL	0	0.017	0.008	65.412	0.000	0.000	0.000	0.000	0.000	0.000
544	A	581	ASP	-1	-0.868	-0.929	68.529	-0.021	-0.021	0.000	0.000	0.000	0.000
545	A	582	PRO	0	-0.019	0.011	66.109	-0.001	-0.001	0.000	0.000	0.000	0.000
546	A	583	GLY	0	0.045	0.024	63.301	0.000	0.000	0.000	0.000	0.000	0.000
547	A	584	ASP	-1	-0.772	-0.872	56.773	-0.034	-0.034	0.000	0.000	0.000	0.000
548	A	585	TYR	0	-0.073	-0.079	58.257	-0.001	-0.001	0.000	0.000	0.000	0.000
549	A	586	ARG	1	0.796	0.866	51.553	0.038	0.038	0.000	0.000	0.000	0.000
550	A	587	MET	0	0.005	0.001	51.356	0.000	0.000	0.000	0.000	0.000	0.000
551	A	588	ILE	0	0.013	0.013	55.834	0.001	0.001	0.000	0.000	0.000	0.000
552	A	589	ILE	0	0.011	0.001	54.912	0.000	0.000	0.000	0.000	0.000	0.000
553	A	590	PRO	0	-0.038	-0.002	59.111	0.001	0.001	0.000	0.000	0.000	0.000
554	A	591	LEU	0	-0.014	-0.021	59.982	0.000	0.000	0.000	0.000	0.000	0.000
555	A	592	GLU	-1	-0.945	-0.962	63.615	-0.020	-0.020	0.000	0.000	0.000	0.000
556	A	593	SER	0	-0.016	-0.015	66.784	0.000	0.000	0.000	0.000	0.000	0.000
557	A	594	SER	0	-0.076	-0.048	65.205	0.000	0.000	0.000	0.000	0.000	0.000
558	A	595	ILE	0	0.043	0.027	62.880	0.000	0.000	0.000	0.000	0.000	0.000
559	A	596	LEU	0	0.002	-0.003	58.964	0.000	0.000	0.000	0.000	0.000	0.000
560	A	597	ILE	0	0.009	-0.003	59.352	0.000	0.000	0.000	0.000	0.000	0.000
561	A	598	TYR	0	0.003	0.025	50.983	0.000	0.000	0.000	0.000	0.000	0.000
562	A	599	SER	0	-0.009	-0.018	56.778	0.000	0.000	0.000	0.000	0.000	0.000
563	A	600	VAL	0	0.038	0.018	53.624	-0.001	-0.001	0.000	0.000	0.000	0.000
564	A	601	PRO	0	-0.037	-0.005	56.576	0.001	0.001	0.000	0.000	0.000	0.000
565	A	602	VAL	0	0.081	0.040	57.200	-0.001	-0.001	0.000	0.000	0.000	0.000
566	A	603	HIS	1	0.824	0.921	52.201	0.038	0.038	0.000	0.000	0.000	0.000
567	A	604	GLY	0	0.029	0.019	55.293	0.000	0.000	0.000	0.000	0.000	0.000
568	A	605	GLU	-1	-0.822	-0.933	50.990	-0.043	-0.043	0.000	0.000	0.000	0.000
569	A	606	PHE	0	-0.050	-0.013	48.784	-0.002	-0.002	0.000	0.000	0.000	0.000
570	A	607	ALA	0	0.043	0.010	47.922	-0.002	-0.002	0.000	0.000	0.000	0.000
571	A	608	ALA	0	0.034	0.026	46.178	-0.002	-0.002	0.000	0.000	0.000	0.000
572	A	609	TYR	0	-0.019	-0.012	45.086	-0.002	-0.002	0.000	0.000	0.000	0.000
573	A	610	TYR	0	-0.090	-0.085	44.050	-0.002	-0.002	0.000	0.000	0.000	0.000
574	A	611	GLN	0	-0.063	-0.049	42.675	-0.001	-0.001	0.000	0.000	0.000	0.000
575	A	612	GLY	0	-0.007	0.009	41.524	-0.001	-0.001	0.000	0.000	0.000	0.000
576	A	613	ALA	0	-0.036	-0.010	42.533	0.000	0.000	0.000	0.000	0.000	0.000
577	A	614	PRO	0	0.013	0.008	44.502	0.001	0.001	0.000	0.000	0.000	0.000
578	A	615	GLU	-1	-0.778	-0.877	46.319	-0.039	-0.039	0.000	0.000	0.000	0.000
579	A	616	LYS	1	0.925	0.956	49.675	0.040	0.040	0.000	0.000	0.000	0.000
580	A	617	GLY	0	0.030	0.013	52.028	0.001	0.001	0.000	0.000	0.000	0.000
581	A	618	VAL	0	-0.066	-0.037	54.304	0.000	0.000	0.000	0.000	0.000	0.000
582	A	619	LEU	0	-0.009	0.017	55.856	0.000	0.000	0.000	0.000	0.000	0.000
583	A	620	LEU	0	0.012	-0.007	57.862	0.001	0.001	0.000	0.000	0.000	0.000
584	A	621	LYS	1	0.971	0.988	61.482	0.024	0.024	0.000	0.000	0.000	0.000
585	A	622	TYR	0	0.039	0.020	63.940	0.001	0.001	0.000	0.000	0.000	0.000
586	A	623	ASP	-1	-0.854	-0.919	66.837	-0.020	-0.020	0.000	0.000	0.000	0.000
587	A	624	VAL	0	0.025	0.018	68.705	0.000	0.000	0.000	0.000	0.000	0.000
588	A	625	LYS	1	0.936	0.970	71.166	0.018	0.018	0.000	0.000	0.000	0.000
589	A	626	THR	0	-0.076	-0.069	73.176	0.000	0.000	0.000	0.000	0.000	0.000
590	A	627	ARG	1	0.917	0.958	71.926	0.019	0.019	0.000	0.000	0.000	0.000
591	A	628	LYS	1	0.953	0.999	69.940	0.021	0.021	0.000	0.000	0.000	0.000
592	A	629	VAL	0	0.042	0.015	65.650	0.000	0.000	0.000	0.000	0.000	0.000
593	A	630	THR	0	-0.099	-0.050	66.190	0.000	0.000	0.000	0.000	0.000	0.000
594	A	631	GLU	-1	-0.867	-0.946	60.686	-0.029	-0.029	0.000	0.000	0.000	0.000
595	A	632	VAL	0	-0.056	-0.019	58.707	0.001	0.001	0.000	0.000	0.000	0.000
596	A	633	LYS	1	0.799	0.869	54.479	0.032	0.032	0.000	0.000	0.000	0.000
597	A	634	ASN	0	0.031	0.031	56.511	-0.001	-0.001	0.000	0.000	0.000	0.000
598	A	635	ASN	0	-0.008	-0.004	52.455	-0.001	-0.001	0.000	0.000	0.000	0.000
599	A	636	LEU	0	-0.010	-0.001	50.844	-0.002	-0.002	0.000	0.000	0.000	0.000
600	A	637	THR	0	-0.009	-0.008	46.579	0.000	0.000	0.000	0.000	0.000	0.000
601	A	638	ASP	-1	-0.864	-0.938	44.633	-0.053	-0.053	0.000	0.000	0.000	0.000
602	A	639	LEU	0	-0.046	-0.013	47.886	0.001	0.001	0.000	0.000	0.000	0.000
603	A	640	ARG	1	0.869	0.940	42.344	0.053	0.053	0.000	0.000	0.000	0.000
604	A	641	LEU	0	0.004	0.002	48.897	0.001	0.001	0.000	0.000	0.000	0.000
605	A	642	SER	0	-0.022	-0.016	50.312	-0.001	-0.001	0.000	0.000	0.000	0.000
606	A	643	ALA	0	0.060	0.020	50.798	0.001	0.001	0.000	0.000	0.000	0.000
607	A	644	ASP	-1	-0.891	-0.946	52.493	-0.030	-0.030	0.000	0.000	0.000	0.000
608	A	645	ARG	1	0.772	0.856	54.825	0.030	0.030	0.000	0.000	0.000	0.000
609	A	646	LYS	1	0.954	0.986	55.611	0.027	0.027	0.000	0.000	0.000	0.000
610	A	647	THR	0	0.005	0.012	51.078	0.000	0.000	0.000	0.000	0.000	0.000
611	A	648	VAL	0	0.003	0.009	52.170	-0.001	-0.001	0.000	0.000	0.000	0.000
612	A	649	MET	0	-0.010	0.009	44.132	-0.001	-0.001	0.000	0.000	0.000	0.000
613	A	650	VAL	0	-0.009	-0.006	48.571	0.000	0.000	0.000	0.000	0.000	0.000
614	A	651	ARG	1	0.904	0.955	39.598	0.060	0.060	0.000	0.000	0.000	0.000
615	A	652	LYS	1	0.876	0.935	46.501	0.040	0.040	0.000	0.000	0.000	0.000
616	A	653	ASP	-1	-0.840	-0.941	46.592	-0.044	-0.044	0.000	0.000	0.000	0.000
617	A	654	ASP	-1	-0.810	-0.870	46.607	-0.048	-0.048	0.000	0.000	0.000	0.000
618	A	655	GLY	0	-0.004	-0.005	42.955	-0.002	-0.002	0.000	0.000	0.000	0.000
619	A	656	LYS	1	0.905	0.970	42.461	0.045	0.045	0.000	0.000	0.000	0.000
620	A	657	ILE	0	0.024	0.008	40.858	0.001	0.001	0.000	0.000	0.000	0.000
621	A	658	TYR	0	-0.064	-0.060	44.927	0.001	0.001	0.000	0.000	0.000	0.000
622	A	659	THR	0	-0.028	-0.015	48.290	0.000	0.000	0.000	0.000	0.000	0.000
623	A	660	PHE	0	0.019	0.015	50.180	0.001	0.001	0.000	0.000	0.000	0.000
624	A	661	PRO	0	0.016	0.023	53.928	0.000	0.000	0.000	0.000	0.000	0.000
625	A	662	LEU	0	-0.001	-0.002	56.471	0.000	0.000	0.000	0.000	0.000	0.000
626	A	663	GLU	-1	-0.917	-0.971	58.276	-0.027	-0.027	0.000	0.000	0.000	0.000
627	A	664	LYS	1	0.913	0.955	59.778	0.025	0.025	0.000	0.000	0.000	0.000
628	A	665	PRO	0	0.025	0.006	57.625	-0.001	-0.001	0.000	0.000	0.000	0.000
629	A	666	GLU	-1	-0.957	-0.964	57.569	-0.026	-0.026	0.000	0.000	0.000	0.000
630	A	667	ASP	-1	-0.926	-0.958	57.031	-0.027	-0.027	0.000	0.000	0.000	0.000
631	A	668	GLU	-1	-0.828	-0.913	52.368	-0.037	-0.037	0.000	0.000	0.000	0.000
632	A	669	ARG	1	0.805	0.877	49.486	0.036	0.036	0.000	0.000	0.000	0.000
633	A	670	THR	0	0.003	-0.004	45.186	0.000	0.000	0.000	0.000	0.000	0.000
634	A	671	VAL	0	-0.045	-0.022	42.018	0.001	0.001	0.000	0.000	0.000	0.000
635	A	672	GLU	-1	-0.951	-0.962	41.031	-0.056	-0.056	0.000	0.000	0.000	0.000
636	A	673	THR	0	0.023	-0.001	36.821	0.001	0.001	0.000	0.000	0.000	0.000
637	A	674	ASP	-1	-0.795	-0.850	35.059	-0.082	-0.082	0.000	0.000	0.000	0.000
638	A	675	LYS	1	0.961	0.993	35.420	0.051	0.051	0.000	0.000	0.000	0.000
639	A	676	ARG	1	0.901	0.950	29.574	0.085	0.085	0.000	0.000	0.000	0.000
640	A	677	PRO	0	0.011	0.005	28.491	-0.002	-0.002	0.000	0.000	0.000	0.000
641	A	678	LEU	0	0.006	0.010	27.413	0.001	0.001	0.000	0.000	0.000	0.000
642	A	679	VAL	0	-0.060	-0.032	23.050	-0.005	-0.005	0.000	0.000	0.000	0.000
643	A	680	SER	0	-0.052	-0.033	21.994	0.008	0.008	0.000	0.000	0.000	0.000
644	A	681	SER	0	-0.073	-0.061	15.723	-0.009	-0.009	0.000	0.000	0.000	0.000
645	A	682	ILE	0	0.064	0.023	15.144	0.012	0.012	0.000	0.000	0.000	0.000
646	A	683	HIS	0	-0.056	-0.042	12.552	0.017	0.017	0.000	0.000	0.000	0.000
647	A	684	GLU	-1	-0.878	-0.944	14.539	-0.196	-0.196	0.000	0.000	0.000	0.000
648	A	685	GLU	-1	-0.772	-0.856	17.336	-0.176	-0.176	0.000	0.000	0.000	0.000
649	A	686	PHE	0	0.002	-0.015	15.265	0.033	0.033	0.000	0.000	0.000	0.000
650	A	687	LEU	0	-0.038	-0.008	15.624	0.010	0.010	0.000	0.000	0.000	0.000
651	A	688	GLN	0	-0.003	-0.001	17.840	0.025	0.025	0.000	0.000	0.000	0.000
652	A	689	MET	0	-0.030	-0.013	21.123	0.018	0.018	0.000	0.000	0.000	0.000
653	A	690	TYR	0	-0.013	0.002	19.369	0.018	0.018	0.000	0.000	0.000	0.000
654	A	691	ASP	-1	-0.798	-0.903	21.006	-0.180	-0.180	0.000	0.000	0.000	0.000
655	A	692	GLU	-1	-0.802	-0.899	22.824	-0.105	-0.105	0.000	0.000	0.000	0.000
656	A	693	ALA	0	0.012	-0.004	24.330	0.014	0.014	0.000	0.000	0.000	0.000
657	A	694	TRP	0	-0.053	-0.048	23.827	0.012	0.012	0.000	0.000	0.000	0.000
658	A	695	LYS	1	0.843	0.915	25.887	0.102	0.102	0.000	0.000	0.000	0.000
659	A	696	LEU	0	-0.020	-0.013	28.467	0.010	0.010	0.000	0.000	0.000	0.000
660	A	697	ALA	0	-0.031	-0.016	28.806	0.008	0.008	0.000	0.000	0.000	0.000
661	A	698	ARG	1	0.827	0.920	29.861	0.090	0.090	0.000	0.000	0.000	0.000
662	A	699	ASP	-1	-0.796	-0.904	31.639	-0.077	-0.077	0.000	0.000	0.000	0.000
663	A	700	ASN	0	-0.023	-0.015	34.067	0.007	0.007	0.000	0.000	0.000	0.000
664	A	701	TYR	0	-0.055	-0.027	34.161	0.004	0.004	0.000	0.000	0.000	0.000
665	A	702	TRP	0	0.015	-0.003	36.070	0.005	0.005	0.000	0.000	0.000	0.000
666	A	703	ASN	0	-0.060	-0.011	38.658	0.003	0.003	0.000	0.000	0.000	0.000
667	A	704	GLU	-1	-0.836	-0.938	37.678	-0.051	-0.051	0.000	0.000	0.000	0.000
668	A	705	ALA	0	-0.052	-0.024	37.142	-0.001	-0.001	0.000	0.000	0.000	0.000
669	A	706	VAL	0	-0.046	-0.032	35.140	-0.001	-0.001	0.000	0.000	0.000	0.000
670	A	707	ALA	0	0.056	0.033	33.518	-0.003	-0.003	0.000	0.000	0.000	0.000
671	A	708	LYS	1	0.950	0.986	31.981	0.043	0.043	0.000	0.000	0.000	0.000
672	A	709	GLU	-1	-0.824	-0.912	31.108	-0.061	-0.061	0.000	0.000	0.000	0.000
673	A	710	ILE	0	0.030	0.021	29.273	-0.003	-0.003	0.000	0.000	0.000	0.000
674	A	711	SER	0	-0.021	-0.012	27.648	-0.008	-0.008	0.000	0.000	0.000	0.000
675	A	712	GLU	-1	-0.934	-0.981	26.056	-0.075	-0.075	0.000	0.000	0.000	0.000
676	A	713	ARG	1	0.815	0.924	25.408	0.066	0.066	0.000	0.000	0.000	0.000
677	A	714	ILE	0	-0.062	-0.037	23.641	-0.005	-0.005	0.000	0.000	0.000	0.000
678	A	715	TYR	0	-0.066	-0.040	19.793	-0.019	-0.019	0.000	0.000	0.000	0.000
679	A	716	GLU	-1	-0.853	-0.942	17.061	-0.147	-0.147	0.000	0.000	0.000	0.000
680	A	717	LYS	1	0.950	0.990	17.256	0.074	0.074	0.000	0.000	0.000	0.000
681	A	718	TYR	0	-0.014	-0.042	16.977	-0.029	-0.029	0.000	0.000	0.000	0.000
682	A	719	ARG	1	0.962	1.006	13.768	0.314	0.314	0.000	0.000	0.000	0.000
683	A	720	ASN	0	-0.047	-0.045	12.858	-0.081	-0.081	0.000	0.000	0.000	0.000
684	A	721	LEU	0	-0.017	-0.004	11.883	-0.089	-0.089	0.000	0.000	0.000	0.000
685	A	722	VAL	0	0.002	0.011	13.205	-0.056	-0.056	0.000	0.000	0.000	0.000
686	A	723	PRO	0	-0.036	-0.014	8.824	-0.016	-0.016	0.000	0.000	0.000	0.000
687	A	724	LEU	0	-0.006	0.001	8.346	-0.234	-0.234	0.000	0.000	0.000	0.000
688	A	725	CYS	0	-0.128	-0.038	10.411	0.082	0.082	0.000	0.000	0.000	0.000
689	A	726	LYS	1	0.876	0.932	7.712	1.290	1.290	0.000	0.000	0.000	0.000
690	A	727	THR	0	-0.021	-0.024	13.961	0.038	0.038	0.000	0.000	0.000	0.000
691	A	728	ARG	1	0.801	0.877	17.731	0.180	0.180	0.000	0.000	0.000	0.000
692	A	729	TYR	0	0.042	0.012	20.705	0.016	0.016	0.000	0.000	0.000	0.000
693	A	730	ASP	-1	-0.765	-0.868	15.425	-0.366	-0.366	0.000	0.000	0.000	0.000
694	A	731	LEU	0	0.007	-0.016	18.053	0.009	0.009	0.000	0.000	0.000	0.000
695	A	732	SER	0	-0.102	-0.105	18.973	0.020	0.020	0.000	0.000	0.000	0.000
696	A	733	ASN	0	-0.047	-0.030	19.491	0.029	0.029	0.000	0.000	0.000	0.000
697	A	734	VAL	0	-0.017	-0.002	16.374	0.016	0.016	0.000	0.000	0.000	0.000
698	A	735	ILE	0	0.006	-0.008	19.746	0.020	0.020	0.000	0.000	0.000	0.000
699	A	736	VAL	0	0.033	0.023	22.721	0.019	0.019	0.000	0.000	0.000	0.000
700	A	737	GLU	-1	-0.812	-0.896	21.473	-0.110	-0.110	0.000	0.000	0.000	0.000
701	A	738	MET	0	-0.044	0.021	22.442	0.018	0.018	0.000	0.000	0.000	0.000
702	A	739	GLN	0	-0.009	-0.029	24.247	0.008	0.008	0.000	0.000	0.000	0.000
703	A	740	GLY	0	0.037	0.014	27.199	0.010	0.010	0.000	0.000	0.000	0.000
704	A	741	GLU	-1	-0.922	-0.936	25.104	-0.088	-0.088	0.000	0.000	0.000	0.000
705	A	742	TYR	0	0.001	-0.006	28.522	0.009	0.009	0.000	0.000	0.000	0.000
706	A	743	ARG	1	0.817	0.925	30.496	0.068	0.068	0.000	0.000	0.000	0.000
707	A	744	THR	0	-0.036	0.004	33.444	0.006	0.006	0.000	0.000	0.000	0.000
708	A	745	SER	0	-0.037	-0.016	34.824	-0.005	-0.005	0.000	0.000	0.000	0.000
709	A	746	HIS	0	-0.008	-0.019	36.553	0.000	0.000	0.000	0.000	0.000	0.000
710	A	747	SER	0	0.051	0.063	31.086	-0.002	-0.002	0.000	0.000	0.000	0.000
711	A	748	TYR	0	-0.061	-0.046	31.552	-0.003	-0.003	0.000	0.000	0.000	0.000
712	A	749	GLU	-1	-0.674	-0.781	25.402	-0.163	-0.163	0.000	0.000	0.000	0.000
713	A	750	MET	0	-0.087	-0.043	29.971	0.004	0.004	0.000	0.000	0.000	0.000
714	A	751	GLY	0	0.027	0.027	31.117	-0.003	-0.003	0.000	0.000	0.000	0.000
715	A	752	GLY	0	0.075	0.044	28.011	-0.006	-0.006	0.000	0.000	0.000	0.000
716	A	753	THR	0	-0.060	-0.037	26.320	0.012	0.012	0.000	0.000	0.000	0.000
717	A	754	PHE	0	-0.038	-0.040	23.938	-0.017	-0.017	0.000	0.000	0.000	0.000
718	A	755	THR	0	-0.005	0.012	23.883	-0.007	-0.007	0.000	0.000	0.000	0.000
719	A	756	ASP	-1	-0.929	-0.963	26.004	-0.121	-0.121	0.000	0.000	0.000	0.000
720	A	757	LYS	1	0.890	0.944	27.032	0.112	0.112	0.000	0.000	0.000	0.000
721	A	758	ASP	-1	-0.887	-0.944	30.156	-0.076	-0.076	0.000	0.000	0.000	0.000
722	A	759	PRO	0	-0.033	-0.029	33.609	-0.002	-0.002	0.000	0.000	0.000	0.000
723	A	760	PHE	0	-0.024	-0.012	32.018	0.005	0.005	0.000	0.000	0.000	0.000
724	A	761	ARG	1	0.921	0.967	36.548	0.052	0.052	0.000	0.000	0.000	0.000
725	A	762	SER	0	0.000	-0.016	40.275	0.001	0.001	0.000	0.000	0.000	0.000
726	A	763	GLY	0	0.061	0.035	43.071	0.000	0.000	0.000	0.000	0.000	0.000
727	A	764	ARG	1	0.728	0.865	43.256	0.045	0.045	0.000	0.000	0.000	0.000
728	A	765	ILE	0	0.076	0.028	49.288	0.000	0.000	0.000	0.000	0.000	0.000
729	A	766	ALA	0	0.031	0.016	51.859	0.001	0.001	0.000	0.000	0.000	0.000
730	A	767	CYS	0	-0.057	-0.031	52.603	0.002	0.002	0.000	0.000	0.000	0.000
731	A	768	ASP	-1	-0.795	-0.835	51.574	-0.033	-0.033	0.000	0.000	0.000	0.000
732	A	769	PHE	0	0.015	-0.011	50.367	0.002	0.002	0.000	0.000	0.000	0.000
733	A	770	LYS	1	0.953	0.982	51.881	0.020	0.020	0.000	0.000	0.000	0.000
734	A	771	LEU	0	-0.027	-0.001	51.606	0.001	0.001	0.000	0.000	0.000	0.000
735	A	772	ASP	-1	-1.000	-0.994	53.808	-0.018	-0.018	0.000	0.000	0.000	0.000
736	A	773	GLY	0	0.034	0.016	56.871	0.001	0.001	0.000	0.000	0.000	0.000
737	A	774	ASP	-1	-0.919	-0.994	55.695	-0.019	-0.019	0.000	0.000	0.000	0.000
738	A	775	HIS	1	0.956	0.982	56.162	0.018	0.018	0.000	0.000	0.000	0.000
739	A	776	TYR	0	-0.007	-0.020	48.806	0.000	0.000	0.000	0.000	0.000	0.000
740	A	777	VAL	0	-0.007	-0.003	55.515	0.000	0.000	0.000	0.000	0.000	0.000
741	A	778	VAL	0	-0.002	-0.009	56.408	-0.001	-0.001	0.000	0.000	0.000	0.000
742	A	779	ALA	0	-0.045	-0.022	55.485	0.001	0.001	0.000	0.000	0.000	0.000
743	A	780	LYS	1	0.916	0.957	55.855	0.027	0.027	0.000	0.000	0.000	0.000
744	A	781	ALA	0	0.065	0.049	56.438	-0.001	-0.001	0.000	0.000	0.000	0.000
745	A	782	TYR	0	-0.129	-0.118	53.180	0.001	0.001	0.000	0.000	0.000	0.000
746	A	783	ALA	0	0.043	-0.006	57.450	0.000	0.000	0.000	0.000	0.000	0.000
747	A	784	GLY	0	-0.050	-0.008	59.214	0.000	0.000	0.000	0.000	0.000	0.000
748	A	785	ASP	-1	-0.904	-0.953	59.924	-0.023	-0.023	0.000	0.000	0.000	0.000
749	A	786	TYR	0	-0.017	-0.032	62.197	0.000	0.000	0.000	0.000	0.000	0.000
750	A	787	SER	0	-0.028	-0.022	64.066	0.000	0.000	0.000	0.000	0.000	0.000
751	A	788	ASN	0	-0.068	-0.013	60.218	0.000	0.000	0.000	0.000	0.000	0.000
752	A	789	GLU	-1	-0.937	-0.967	57.470	-0.031	-0.031	0.000	0.000	0.000	0.000
753	A	790	GLY	0	0.012	0.002	55.739	-0.001	-0.001	0.000	0.000	0.000	0.000
754	A	791	GLU	-1	-0.747	-0.859	55.372	-0.030	-0.030	0.000	0.000	0.000	0.000
755	A	792	LYS	1	0.916	0.949	57.483	0.025	0.025	0.000	0.000	0.000	0.000
756	A	793	SER	0	-0.005	0.021	56.394	0.000	0.000	0.000	0.000	0.000	0.000
757	A	794	PRO	0	0.061	0.017	55.216	0.001	0.001	0.000	0.000	0.000	0.000
758	A	795	ILE	0	0.015	0.012	57.941	0.001	0.001	0.000	0.000	0.000	0.000
759	A	796	PHE	0	-0.004	-0.016	60.164	0.001	0.001	0.000	0.000	0.000	0.000
760	A	797	GLU	-1	-1.004	-0.987	61.092	-0.025	-0.025	0.000	0.000	0.000	0.000
761	A	798	TYR	0	-0.041	-0.026	61.278	0.001	0.001	0.000	0.000	0.000	0.000
762	A	799	GLY	0	-0.064	-0.022	65.655	0.001	0.001	0.000	0.000	0.000	0.000
763	A	800	ILE	0	-0.043	-0.026	64.408	0.001	0.001	0.000	0.000	0.000	0.000
764	A	801	ASP	-1	-0.810	-0.894	63.131	-0.022	-0.022	0.000	0.000	0.000	0.000
765	A	802	PRO	0	0.009	-0.011	59.731	0.001	0.001	0.000	0.000	0.000	0.000
766	A	803	THR	0	-0.008	-0.025	60.994	0.000	0.000	0.000	0.000	0.000	0.000
767	A	804	GLY	0	-0.076	-0.034	61.221	0.001	0.001	0.000	0.000	0.000	0.000
768	A	805	TYR	0	-0.090	-0.058	61.762	0.001	0.001	0.000	0.000	0.000	0.000
769	A	806	LEU	0	-0.029	-0.012	59.874	-0.001	-0.001	0.000	0.000	0.000	0.000
770	A	807	ILE	0	0.007	-0.009	54.950	0.000	0.000	0.000	0.000	0.000	0.000
771	A	808	GLU	-1	-0.931	-0.947	57.576	-0.019	-0.019	0.000	0.000	0.000	0.000
772	A	809	ASP	-1	-0.905	-0.980	55.783	-0.021	-0.021	0.000	0.000	0.000	0.000
773	A	810	ILE	0	-0.003	-0.012	51.958	0.000	0.000	0.000	0.000	0.000	0.000
774	A	811	ASP	-1	-0.952	-0.994	52.784	-0.028	-0.028	0.000	0.000	0.000	0.000
775	A	812	GLY	0	-0.009	0.008	54.809	0.000	0.000	0.000	0.000	0.000	0.000
776	A	813	GLU	-1	-0.960	-0.970	49.364	-0.028	-0.028	0.000	0.000	0.000	0.000
777	A	814	THR	0	-0.001	-0.005	54.009	0.000	0.000	0.000	0.000	0.000	0.000
778	A	815	VAL	0	-0.026	-0.006	50.985	-0.001	-0.001	0.000	0.000	0.000	0.000
779	A	816	GLY	0	0.019	-0.013	51.863	0.001	0.001	0.000	0.000	0.000	0.000
780	A	817	ALA	0	-0.026	-0.004	51.307	-0.001	-0.001	0.000	0.000	0.000	0.000
781	A	818	GLY	0	-0.033	0.000	49.586	0.000	0.000	0.000	0.000	0.000	0.000
782	A	819	SER	0	-0.088	-0.031	48.677	-0.001	-0.001	0.000	0.000	0.000	0.000
783	A	820	ASN	0	0.071	0.016	43.485	0.000	0.000	0.000	0.000	0.000	0.000
784	A	821	ILE	0	0.089	0.045	47.205	-0.001	-0.001	0.000	0.000	0.000	0.000
785	A	822	TYR	0	0.017	0.004	44.625	-0.001	-0.001	0.000	0.000	0.000	0.000
786	A	823	ARG	1	0.893	0.930	41.206	0.035	0.035	0.000	0.000	0.000	0.000
787	A	824	VAL	0	0.074	0.045	44.182	-0.001	-0.001	0.000	0.000	0.000	0.000
788	A	825	LEU	0	-0.021	-0.006	47.414	0.000	0.000	0.000	0.000	0.000	0.000
789	A	826	SER	0	-0.037	-0.033	42.278	-0.002	-0.002	0.000	0.000	0.000	0.000
790	A	827	GLU	-1	-0.990	-0.994	43.466	-0.040	-0.040	0.000	0.000	0.000	0.000
791	A	828	LYS	1	0.888	0.957	45.052	0.033	0.033	0.000	0.000	0.000	0.000
792	A	829	ALA	0	-0.004	0.008	44.957	0.001	0.001	0.000	0.000	0.000	0.000
793	A	830	GLY	0	0.004	0.011	46.756	-0.001	-0.001	0.000	0.000	0.000	0.000
794	A	831	THR	0	-0.089	-0.038	48.538	0.001	0.001	0.000	0.000	0.000	0.000
795	A	832	SER	0	0.018	0.000	51.421	0.000	0.000	0.000	0.000	0.000	0.000
796	A	833	ALA	0	-0.012	-0.008	53.104	0.000	0.000	0.000	0.000	0.000	0.000
797	A	834	ARG	1	0.962	0.976	55.201	0.022	0.022	0.000	0.000	0.000	0.000
798	A	835	ILE	0	-0.011	-0.001	54.981	0.000	0.000	0.000	0.000	0.000	0.000
799	A	836	ARG	1	0.944	0.969	58.289	0.019	0.019	0.000	0.000	0.000	0.000
800	A	837	LEU	0	-0.020	-0.021	59.086	0.000	0.000	0.000	0.000	0.000	0.000
801	A	838	SER	0	-0.011	-0.024	62.158	0.001	0.001	0.000	0.000	0.000	0.000
802	A	839	GLY	0	0.032	0.021	64.289	0.000	0.000	0.000	0.000	0.000	0.000
803	A	840	LYS	1	0.921	0.951	66.787	0.016	0.016	0.000	0.000	0.000	0.000
804	A	841	GLY	0	0.002	-0.008	68.647	0.000	0.000	0.000	0.000	0.000	0.000
805	A	842	GLY	0	-0.003	0.000	70.966	0.000	0.000	0.000	0.000	0.000	0.000
806	A	843	ASP	-1	-0.867	-0.873	69.252	-0.017	-0.017	0.000	0.000	0.000	0.000
807	A	844	LYN	0	0.044	0.032	65.400	0.000	0.000	0.000	0.000	0.000	0.000
808	A	845	ARG	1	0.836	0.896	64.228	0.018	0.018	0.000	0.000	0.000	0.000
809	A	846	ASP	-1	-0.889	-0.944	62.664	-0.021	-0.021	0.000	0.000	0.000	0.000
810	A	847	LEU	0	-0.032	-0.002	61.267	0.000	0.000	0.000	0.000	0.000	0.000
811	A	848	MET	0	-0.022	0.020	57.605	0.000	0.000	0.000	0.000	0.000	0.000
812	A	849	ILE	0	-0.006	-0.011	55.685	0.000	0.000	0.000	0.000	0.000	0.000
813	A	850	ASP	-1	-0.821	-0.901	54.457	-0.030	-0.030	0.000	0.000	0.000	0.000
814	A	851	ILE	0	-0.067	-0.024	49.137	0.000	0.000	0.000	0.000	0.000	0.000
815	A	852	LEU	0	0.011	-0.007	49.969	-0.001	-0.001	0.000	0.000	0.000	0.000
816	A	853	ASP	-1	-0.848	-0.925	44.673	-0.047	-0.047	0.000	0.000	0.000	0.000
817	A	854	ASP	-1	-0.942	-0.997	44.834	-0.048	-0.048	0.000	0.000	0.000	0.000
818	A	855	ASP	-1	-0.774	-0.884	46.788	-0.036	-0.036	0.000	0.000	0.000	0.000
819	A	856	ARG	1	0.820	0.909	42.208	0.049	0.049	0.000	0.000	0.000	0.000
820	A	857	PHE	0	0.011	0.005	48.424	0.001	0.001	0.000	0.000	0.000	0.000
821	A	858	ILE	0	0.037	0.033	51.117	0.001	0.001	0.000	0.000	0.000	0.000
822	A	859	ARG	1	0.796	0.894	49.087	0.036	0.036	0.000	0.000	0.000	0.000
823	A	860	TYR	0	-0.055	-0.063	50.853	0.001	0.001	0.000	0.000	0.000	0.000
824	A	861	ARG	1	0.796	0.889	52.694	0.030	0.030	0.000	0.000	0.000	0.000
825	A	862	SER	0	-0.042	-0.005	55.946	0.001	0.001	0.000	0.000	0.000	0.000
826	A	863	TRP	0	-0.017	-0.016	53.928	0.001	0.001	0.000	0.000	0.000	0.000
827	A	864	VAL	0	0.017	0.007	55.306	0.001	0.001	0.000	0.000	0.000	0.000
828	A	865	GLU	-1	-0.794	-0.907	57.704	-0.023	-0.023	0.000	0.000	0.000	0.000
829	A	866	ALA	0	-0.065	-0.023	59.079	0.001	0.001	0.000	0.000	0.000	0.000
830	A	867	ASN	0	0.010	0.007	56.342	0.002	0.002	0.000	0.000	0.000	0.000
831	A	868	ARG	1	0.800	0.892	60.571	0.023	0.023	0.000	0.000	0.000	0.000
832	A	869	ARG	1	0.954	0.979	62.150	0.023	0.023	0.000	0.000	0.000	0.000
833	A	870	TYR	0	-0.039	-0.042	62.752	0.001	0.001	0.000	0.000	0.000	0.000
834	A	871	VAL	0	0.013	0.000	63.054	0.001	0.001	0.000	0.000	0.000	0.000
835	A	872	HIS	0	-0.088	-0.026	65.754	0.001	0.001	0.000	0.000	0.000	0.000
836	A	873	GLU	-1	-0.940	-0.972	67.646	-0.018	-0.018	0.000	0.000	0.000	0.000
837	A	874	ARG	1	0.809	0.909	65.958	0.019	0.019	0.000	0.000	0.000	0.000
838	A	875	SER	0	-0.023	-0.008	68.992	0.001	0.001	0.000	0.000	0.000	0.000
839	A	876	LYS	1	0.897	0.953	70.748	0.015	0.015	0.000	0.000	0.000	0.000
840	A	877	GLY	0	0.013	-0.004	72.265	0.000	0.000	0.000	0.000	0.000	0.000
841	A	878	THR	0	-0.045	-0.028	72.648	0.000	0.000	0.000	0.000	0.000	0.000
842	A	879	ILE	0	-0.043	-0.031	66.608	0.000	0.000	0.000	0.000	0.000	0.000
843	A	880	GLY	0	0.055	0.038	67.124	0.000	0.000	0.000	0.000	0.000	0.000
844	A	881	TYR	0	-0.066	-0.076	57.077	0.000	0.000	0.000	0.000	0.000	0.000
845	A	882	ILE	0	0.030	0.021	58.971	0.000	0.000	0.000	0.000	0.000	0.000
846	A	883	HIS	0	0.019	0.038	51.690	0.000	0.000	0.000	0.000	0.000	0.000
847	A	884	ILE	0	-0.017	-0.002	53.092	0.000	0.000	0.000	0.000	0.000	0.000
848	A	885	PRO	0	0.009	0.002	50.062	-0.001	-0.001	0.000	0.000	0.000	0.000
849	A	886	ASP	-1	-0.761	-0.831	47.430	-0.045	-0.045	0.000	0.000	0.000	0.000
850	A	887	MET	0	-0.069	-0.021	48.618	0.003	0.003	0.000	0.000	0.000	0.000
851	A	888	GLY	0	0.107	0.049	48.688	-0.001	-0.001	0.000	0.000	0.000	0.000
852	A	889	MET	0	-0.029	-0.016	49.594	0.002	0.002	0.000	0.000	0.000	0.000
853	A	890	MET	0	-0.031	-0.012	49.782	0.001	0.001	0.000	0.000	0.000	0.000
854	A	891	GLY	0	0.047	0.024	51.329	0.002	0.002	0.000	0.000	0.000	0.000
855	A	892	LEU	0	-0.009	-0.010	53.108	0.002	0.002	0.000	0.000	0.000	0.000
856	A	893	ASN	0	-0.031	-0.015	54.059	0.002	0.002	0.000	0.000	0.000	0.000
857	A	894	GLU	-1	-0.825	-0.939	54.214	-0.031	-0.031	0.000	0.000	0.000	0.000
858	A	895	PHE	0	0.015	0.014	56.885	0.001	0.001	0.000	0.000	0.000	0.000
859	A	896	TYR	0	0.005	-0.023	58.624	0.002	0.002	0.000	0.000	0.000	0.000
860	A	897	ARG	1	0.896	0.970	56.876	0.031	0.031	0.000	0.000	0.000	0.000
861	A	898	LEU	0	0.009	0.003	60.328	0.001	0.001	0.000	0.000	0.000	0.000
862	A	899	PHE	0	-0.012	0.007	62.607	0.001	0.001	0.000	0.000	0.000	0.000
863	A	900	ILE	0	-0.049	-0.032	64.412	0.001	0.001	0.000	0.000	0.000	0.000
864	A	901	ASN	0	-0.065	-0.033	65.993	0.001	0.001	0.000	0.000	0.000	0.000
865	A	902	GLU	-1	-0.741	-0.868	64.621	-0.020	-0.020	0.000	0.000	0.000	0.000
866	A	903	SER	0	-0.012	0.016	67.002	0.001	0.001	0.000	0.000	0.000	0.000
867	A	904	SER	0	0.011	-0.011	68.354	0.001	0.001	0.000	0.000	0.000	0.000
868	A	905	TYR	0	0.009	0.035	69.772	0.001	0.001	0.000	0.000	0.000	0.000
869	A	906	GLN	0	-0.064	-0.047	72.139	0.000	0.000	0.000	0.000	0.000	0.000
870	A	907	GLY	0	0.032	0.018	69.499	0.000	0.000	0.000	0.000	0.000	0.000
871	A	908	LEU	0	-0.016	-0.008	63.937	0.000	0.000	0.000	0.000	0.000	0.000
872	A	909	ILE	0	0.040	0.017	60.440	0.000	0.000	0.000	0.000	0.000	0.000
873	A	910	VAL	0	-0.038	-0.026	57.868	0.000	0.000	0.000	0.000	0.000	0.000
874	A	911	ASP	-1	-0.762	-0.868	55.027	-0.029	-0.029	0.000	0.000	0.000	0.000
875	A	912	VAL	0	0.007	-0.005	52.500	-0.001	-0.001	0.000	0.000	0.000	0.000
876	A	913	ARG	1	0.789	0.872	50.848	0.026	0.026	0.000	0.000	0.000	0.000
877	A	914	PHE	0	-0.051	-0.045	46.324	0.000	0.000	0.000	0.000	0.000	0.000
878	A	915	ASN	0	-0.023	0.009	47.117	-0.003	-0.003	0.000	0.000	0.000	0.000
879	A	916	GLY	0	0.044	0.000	44.756	-0.001	-0.001	0.000	0.000	0.000	0.000
880	A	917	GLY	0	-0.003	0.008	44.325	-0.002	-0.002	0.000	0.000	0.000	0.000
881	A	918	GLY	0	0.006	0.005	46.055	0.000	0.000	0.000	0.000	0.000	0.000
882	A	919	PHE	0	-0.054	-0.046	46.943	-0.001	-0.001	0.000	0.000	0.000	0.000
883	A	920	VAL	0	-0.001	0.006	49.730	0.002	0.002	0.000	0.000	0.000	0.000
884	A	921	SER	0	-0.012	-0.025	52.028	0.002	0.002	0.000	0.000	0.000	0.000
885	A	922	GLN	0	-0.002	-0.015	53.262	0.003	0.003	0.000	0.000	0.000	0.000
886	A	923	LEU	0	0.030	0.017	56.069	0.001	0.001	0.000	0.000	0.000	0.000
887	A	924	ILE	0	-0.012	-0.003	55.323	0.001	0.001	0.000	0.000	0.000	0.000
888	A	925	ILE	0	-0.014	-0.014	57.263	0.001	0.001	0.000	0.000	0.000	0.000
889	A	926	GLU	-1	-0.963	-0.972	59.933	-0.025	-0.025	0.000	0.000	0.000	0.000
890	A	927	LYS	1	0.920	0.952	62.190	0.026	0.026	0.000	0.000	0.000	0.000
891	A	928	LEU	0	-0.048	-0.026	60.243	0.001	0.001	0.000	0.000	0.000	0.000
892	A	929	MET	0	-0.025	0.003	63.352	0.001	0.001	0.000	0.000	0.000	0.000
893	A	930	ASN	0	-0.063	-0.004	65.686	0.001	0.001	0.000	0.000	0.000	0.000
894	A	931	LYS	1	0.982	0.988	68.793	0.017	0.017	0.000	0.000	0.000	0.000
895	A	932	ARG	1	0.851	0.910	71.894	0.018	0.018	0.000	0.000	0.000	0.000
896	A	933	ILE	0	-0.060	-0.037	74.637	0.000	0.000	0.000	0.000	0.000	0.000
897	A	934	GLY	0	0.000	0.001	77.803	0.001	0.001	0.000	0.000	0.000	0.000
898	A	935	TYR	0	-0.043	-0.036	78.596	-0.001	-0.001	0.000	0.000	0.000	0.000
899	A	936	ASP	-1	-0.852	-0.888	81.310	-0.015	-0.015	0.000	0.000	0.000	0.000
900	A	937	ASN	0	-0.039	-0.053	83.263	0.000	0.000	0.000	0.000	0.000	0.000
901	A	938	PRO	0	0.006	0.020	84.581	0.000	0.000	0.000	0.000	0.000	0.000
902	A	939	ARG	1	0.929	0.967	87.246	0.012	0.012	0.000	0.000	0.000	0.000
903	A	940	ARG	1	0.953	0.957	87.685	0.013	0.013	0.000	0.000	0.000	0.000
904	A	941	GLY	0	0.046	0.030	84.758	0.000	0.000	0.000	0.000	0.000	0.000
905	A	942	THR	0	0.023	0.001	80.800	0.000	0.000	0.000	0.000	0.000	0.000
906	A	943	LEU	0	-0.030	-0.015	81.670	0.000	0.000	0.000	0.000	0.000	0.000
907	A	944	SER	0	0.008	0.025	78.569	0.000	0.000	0.000	0.000	0.000	0.000
908	A	945	PRO	0	-0.023	-0.010	75.049	0.000	0.000	0.000	0.000	0.000	0.000
909	A	946	TYR	0	0.037	0.044	76.016	0.000	0.000	0.000	0.000	0.000	0.000
910	A	947	PRO	0	0.065	-0.004	71.714	0.000	0.000	0.000	0.000	0.000	0.000
911	A	948	THR	0	0.036	0.024	71.637	0.000	0.000	0.000	0.000	0.000	0.000
912	A	949	ASN	0	-0.008	0.005	67.329	0.000	0.000	0.000	0.000	0.000	0.000
913	A	950	SER	0	0.000	-0.007	68.292	0.000	0.000	0.000	0.000	0.000	0.000
914	A	951	VAL	0	0.064	0.040	66.117	0.000	0.000	0.000	0.000	0.000	0.000
915	A	952	ARG	1	0.798	0.909	69.429	0.017	0.017	0.000	0.000	0.000	0.000
916	A	953	GLY	0	0.000	-0.008	71.034	0.001	0.001	0.000	0.000	0.000	0.000
917	A	954	LYS	1	0.916	0.980	69.034	0.017	0.017	0.000	0.000	0.000	0.000
918	A	955	ILE	0	0.035	0.022	63.058	0.000	0.000	0.000	0.000	0.000	0.000
919	A	956	ILE	0	-0.021	0.002	61.798	0.000	0.000	0.000	0.000	0.000	0.000
920	A	957	ALA	0	0.014	0.018	57.548	-0.001	-0.001	0.000	0.000	0.000	0.000
921	A	958	ILE	0	0.001	0.004	55.001	0.000	0.000	0.000	0.000	0.000	0.000
922	A	959	THR	0	0.025	0.008	51.466	-0.002	-0.002	0.000	0.000	0.000	0.000
923	A	960	ASN	0	0.046	0.016	48.436	0.000	0.000	0.000	0.000	0.000	0.000
924	A	961	GLU	-1	-0.792	-0.892	44.400	-0.036	-0.036	0.000	0.000	0.000	0.000
925	A	962	TYR	0	-0.115	-0.061	41.824	-0.002	-0.002	0.000	0.000	0.000	0.000
926	A	963	ALA	0	0.007	0.034	45.299	-0.001	-0.001	0.000	0.000	0.000	0.000
927	A	964	GLY	0	0.042	-0.017	44.407	0.000	0.000	0.000	0.000	0.000	0.000
928	A	965	SER	0	0.018	0.007	42.690	0.000	0.000	0.000	0.000	0.000	0.000
929	A	966	ASP	-1	-0.790	-0.870	45.010	-0.036	-0.036	0.000	0.000	0.000	0.000
930	A	967	GLY	0	0.060	0.014	47.544	0.002	0.002	0.000	0.000	0.000	0.000
931	A	968	ASP	-1	-0.773	-0.851	45.323	-0.040	-0.040	0.000	0.000	0.000	0.000
932	A	969	ILE	0	0.010	0.002	47.988	0.002	0.002	0.000	0.000	0.000	0.000
933	A	970	PHE	0	0.035	0.028	50.922	0.002	0.002	0.000	0.000	0.000	0.000
934	A	971	SER	0	0.015	0.002	51.614	0.002	0.002	0.000	0.000	0.000	0.000
935	A	972	PHE	0	-0.026	-0.015	52.155	0.002	0.002	0.000	0.000	0.000	0.000
936	A	973	SER	0	-0.011	-0.030	54.118	0.002	0.002	0.000	0.000	0.000	0.000
937	A	974	PHE	0	0.013	0.021	56.724	0.001	0.001	0.000	0.000	0.000	0.000
938	A	975	LYS	1	0.871	0.944	55.640	0.026	0.026	0.000	0.000	0.000	0.000
939	A	976	LYS	1	0.808	0.904	57.670	0.025	0.025	0.000	0.000	0.000	0.000
940	A	977	LEU	0	-0.044	-0.039	59.655	0.001	0.001	0.000	0.000	0.000	0.000
941	A	978	GLY	0	-0.022	-0.006	62.237	0.001	0.001	0.000	0.000	0.000	0.000
942	A	979	LEU	0	-0.047	-0.023	60.842	0.001	0.001	0.000	0.000	0.000	0.000
943	A	980	GLY	0	0.021	0.010	63.128	0.001	0.001	0.000	0.000	0.000	0.000
944	A	981	LYS	1	0.909	0.966	61.912	0.019	0.019	0.000	0.000	0.000	0.000
945	A	982	LEU	0	-0.023	0.003	54.069	0.000	0.000	0.000	0.000	0.000	0.000
946	A	983	ILE	0	-0.005	-0.015	57.628	0.001	0.001	0.000	0.000	0.000	0.000
947	A	984	GLY	0	0.027	0.017	54.021	-0.001	-0.001	0.000	0.000	0.000	0.000
948	A	985	THR	0	-0.024	-0.017	48.898	0.001	0.001	0.000	0.000	0.000	0.000
949	A	986	ARG	1	0.845	0.919	44.421	0.033	0.033	0.000	0.000	0.000	0.000
950	A	987	THR	0	-0.054	-0.039	47.203	-0.001	-0.001	0.000	0.000	0.000	0.000
951	A	988	TRP	0	-0.012	0.003	37.947	0.000	0.000	0.000	0.000	0.000	0.000
952	A	989	GLY	0	0.068	0.017	42.403	-0.001	-0.001	0.000	0.000	0.000	0.000
953	A	990	GLY	0	-0.020	-0.017	41.275	-0.002	-0.002	0.000	0.000	0.000	0.000
954	A	991	VAL	0	-0.046	-0.019	41.982	0.000	0.000	0.000	0.000	0.000	0.000
955	A	992	VAL	0	-0.008	0.012	39.634	0.002	0.002	0.000	0.000	0.000	0.000
956	A	993	GLY	0	0.023	0.014	40.270	-0.003	-0.003	0.000	0.000	0.000	0.000
957	A	994	ILE	0	0.003	-0.011	37.147	-0.003	-0.003	0.000	0.000	0.000	0.000
958	A	995	THR	0	0.013	-0.003	39.483	0.004	0.004	0.000	0.000	0.000	0.000
959	A	996	PRO	0	-0.015	0.013	35.968	-0.001	-0.001	0.000	0.000	0.000	0.000
960	A	997	LYS	1	1.004	0.996	36.752	0.069	0.069	0.000	0.000	0.000	0.000
961	A	998	ARG	1	0.820	0.898	32.549	0.085	0.085	0.000	0.000	0.000	0.000
962	A	999	ARG	1	0.949	0.997	31.844	0.087	0.087	0.000	0.000	0.000	0.000
963	A	1000	LEU	0	0.027	0.009	25.066	0.000	0.000	0.000	0.000	0.000	0.000
964	A	1001	ILE	0	0.031	0.007	23.267	0.009	0.009	0.000	0.000	0.000	0.000
965	A	1002	ASP	-1	-0.732	-0.847	25.232	-0.156	-0.156	0.000	0.000	0.000	0.000
966	A	1003	GLY	0	-0.019	-0.017	27.382	0.005	0.005	0.000	0.000	0.000	0.000
967	A	1004	THR	0	-0.051	-0.048	26.931	0.006	0.006	0.000	0.000	0.000	0.000
968	A	1005	VAL	0	-0.020	-0.006	29.514	0.002	0.002	0.000	0.000	0.000	0.000
969	A	1006	LEU	0	0.012	0.016	26.833	0.000	0.000	0.000	0.000	0.000	0.000
970	A	1007	THR	0	-0.053	-0.038	31.195	0.005	0.005	0.000	0.000	0.000	0.000
971	A	1008	GLN	0	0.030	0.010	31.413	0.001	0.001	0.000	0.000	0.000	0.000
972	A	1009	PRO	0	-0.011	-0.003	34.230	0.004	0.004	0.000	0.000	0.000	0.000
973	A	1010	GLU	-1	-0.875	-0.935	37.473	-0.061	-0.061	0.000	0.000	0.000	0.000
974	A	1011	PHE	0	-0.022	-0.013	39.592	0.003	0.003	0.000	0.000	0.000	0.000
975	A	1012	ALA	0	-0.016	0.000	42.616	0.000	0.000	0.000	0.000	0.000	0.000
976	A	1013	PHE	0	0.009	0.005	44.035	0.002	0.002	0.000	0.000	0.000	0.000
977	A	1014	TRP	0	-0.020	-0.004	47.325	0.001	0.001	0.000	0.000	0.000	0.000
978	A	1015	PHE	0	0.024	0.014	49.836	0.001	0.001	0.000	0.000	0.000	0.000
979	A	1016	ARG	1	0.970	0.993	52.898	0.025	0.025	0.000	0.000	0.000	0.000
980	A	1017	ASP	-1	-0.888	-0.950	56.123	-0.022	-0.022	0.000	0.000	0.000	0.000
981	A	1018	ALA	0	-0.006	-0.005	52.025	0.000	0.000	0.000	0.000	0.000	0.000
982	A	1019	GLY	0	-0.006	-0.001	50.745	-0.001	-0.001	0.000	0.000	0.000	0.000
983	A	1020	PHE	0	0.038	-0.013	45.229	0.000	0.000	0.000	0.000	0.000	0.000
984	A	1021	GLY	0	-0.022	-0.002	45.836	-0.002	-0.002	0.000	0.000	0.000	0.000
985	A	1022	VAL	0	0.022	0.030	46.563	0.000	0.000	0.000	0.000	0.000	0.000
986	A	1023	GLU	-1	-0.717	-0.862	39.354	-0.054	-0.054	0.000	0.000	0.000	0.000
987	A	1024	ASN	0	0.003	0.000	38.048	0.000	0.000	0.000	0.000	0.000	0.000
988	A	1025	TYR	0	-0.107	-0.074	41.270	0.001	0.001	0.000	0.000	0.000	0.000
989	A	1026	GLY	0	0.040	0.024	44.450	0.000	0.000	0.000	0.000	0.000	0.000
990	A	1027	VAL	0	-0.075	-0.044	46.659	0.002	0.002	0.000	0.000	0.000	0.000
991	A	1028	ASP	-1	-0.789	-0.872	50.400	-0.028	-0.028	0.000	0.000	0.000	0.000
992	A	1029	PRO	0	-0.030	-0.008	52.473	0.000	0.000	0.000	0.000	0.000	0.000
993	A	1030	ASP	-1	-0.872	-0.944	55.298	-0.022	-0.022	0.000	0.000	0.000	0.000
994	A	1031	VAL	0	-0.056	-0.028	58.477	0.001	0.001	0.000	0.000	0.000	0.000
995	A	1032	GLU	-1	-0.908	-0.962	52.115	-0.025	-0.025	0.000	0.000	0.000	0.000
996	A	1033	ILE	0	-0.067	-0.029	55.005	0.001	0.001	0.000	0.000	0.000	0.000
997	A	1034	GLU	-1	-0.909	-0.968	49.936	-0.029	-0.029	0.000	0.000	0.000	0.000
998	A	1035	TYR	0	0.011	0.013	50.861	0.001	0.001	0.000	0.000	0.000	0.000
999	A	1036	ALA	0	0.009	-0.004	50.479	-0.002	-0.002	0.000	0.000	0.000	0.000
1000	A	1037	PRO	0	0.007	0.004	47.892	0.000	0.000	0.000	0.000	0.000	0.000
1001	A	1038	HIS	0	0.075	0.031	50.350	0.000	0.000	0.000	0.000	0.000	0.000
1002	A	1039	ASP	-1	-0.884	-0.930	53.650	-0.021	-0.021	0.000	0.000	0.000	0.000
1003	A	1040	TYR	0	-0.015	-0.005	49.482	0.000	0.000	0.000	0.000	0.000	0.000
1004	A	1041	LEU	0	-0.044	-0.010	52.092	0.000	0.000	0.000	0.000	0.000	0.000
1005	A	1042	SER	0	-0.113	-0.046	54.385	0.001	0.001	0.000	0.000	0.000	0.000
1006	A	1043	GLY	0	0.008	0.008	56.420	0.001	0.001	0.000	0.000	0.000	0.000
1007	A	1044	LYS	1	0.923	0.975	57.577	0.019	0.019	0.000	0.000	0.000	0.000
1008	A	1045	ASP	-1	-0.754	-0.859	56.302	-0.027	-0.027	0.000	0.000	0.000	0.000
1009	A	1046	PRO	0	-0.003	-0.020	55.681	0.001	0.001	0.000	0.000	0.000	0.000
1010	A	1047	GLN	0	0.015	0.005	51.868	0.000	0.000	0.000	0.000	0.000	0.000
1011	A	1048	ILE	0	0.008	-0.003	57.538	0.000	0.000	0.000	0.000	0.000	0.000
1012	A	1049	ASP	-1	-0.800	-0.877	59.795	-0.019	-0.019	0.000	0.000	0.000	0.000
1013	A	1050	TYR	0	0.012	0.010	60.624	0.001	0.001	0.000	0.000	0.000	0.000
1014	A	1051	ALA	0	0.007	0.007	60.667	0.001	0.001	0.000	0.000	0.000	0.000
1015	A	1052	ILE	0	0.001	-0.002	62.673	0.001	0.001	0.000	0.000	0.000	0.000
1016	A	1053	ASP	-1	-0.855	-0.935	65.570	-0.017	-0.017	0.000	0.000	0.000	0.000
1017	A	1054	ALA	0	-0.036	-0.013	64.948	0.001	0.001	0.000	0.000	0.000	0.000
1018	A	1055	LEU	0	0.032	0.009	65.863	0.001	0.001	0.000	0.000	0.000	0.000
1019	A	1056	ILE	0	-0.024	-0.008	68.406	0.001	0.001	0.000	0.000	0.000	0.000
1020	A	1057	GLU	-1	-0.925	-0.964	70.201	-0.014	-0.014	0.000	0.000	0.000	0.000
1021	A	1058	GLU	-1	-0.974	-0.994	67.266	-0.018	-0.018	0.000	0.000	0.000	0.000
1022	A	1059	LEU	0	-0.091	-0.065	70.797	0.000	0.000	0.000	0.000	0.000	0.000
1023	A	1060	ARG	1	0.842	0.948	73.986	0.014	0.014	0.000	0.000	0.000	0.000
1024	A	1061	ASN	0	-0.077	-0.038	76.201	0.001	0.001	0.000	0.000	0.000	0.000
1025	A	1062	NME	0	-0.002	0.015	74.354	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:38:ACE )