FMO DATABASE

FMODB ID: 5211Z

Calculation Name: 3KSY-A-Xray372

Preferred Name: Son of sevenless homolog 1

Target Type: SINGLE PROTEIN

Ligand Name:

ligand 3-letter code:

PDB ID: 3KSY

Chain ID: A

ChEMBL ID: CHEMBL2079846

UniProt ID: Q07889

Base Structure: X-ray

Registration Date: 2023-09-20

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

DOI:

IFIE MAP

IFIE Diagram

Modeling method

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

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	1010
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-29362272.934852
FMO2-HF: Nuclear repulsion	28950569.964892
FMO2-HF: Total energy	-411702.96996
FMO2-MP2: Total energy	-412902.612487

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:6:LEU)

Summations of interaction energy for fragment #1(A:6:LEU)

IFIE [kcal/mol]	PIEDA [kcal/mol]				Charge transfer value [e]
IFIE SUMIFIE SUM at MP2 level.	ESElectro static interaction energy.	EXExchange-repulsion energy.	CT+mixCharge transfer and mixing terms energy.	DI(MP2)Dispersion energy.	q(I=>J)Charge transfer value from I to J fragments.
-4.359	-3.002	-0.002	-0.591	-0.763	0.001

Interaction energy analysis for fragmet #1(A:6:LEU)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : -0.031 / q_NPA : -0.033

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	8	TYR	0	0.038	0.015	3.821	-1.972	-0.615	-0.002	-0.591	-0.763	0.001
4	A	9	GLU	-1	-0.755	-0.846	5.707	-1.249	-1.249	0.000	0.000	0.000	0.000
5	A	10	PHE	0	-0.002	-0.014	7.450	0.145	0.145	0.000	0.000	0.000	0.000
6	A	11	PHE	0	-0.029	0.007	11.031	0.106	0.106	0.000	0.000	0.000	0.000
7	A	12	SER	0	-0.029	-0.029	9.647	0.147	0.147	0.000	0.000	0.000	0.000
8	A	13	GLU	-1	-0.963	-1.025	8.961	-0.814	-0.814	0.000	0.000	0.000	0.000
9	A	14	GLU	-1	-0.918	-0.924	9.347	-1.047	-1.047	0.000	0.000	0.000	0.000
10	A	15	ASN	0	-0.043	-0.061	11.218	0.258	0.258	0.000	0.000	0.000	0.000
11	A	16	ALA	0	0.024	0.024	13.739	0.062	0.062	0.000	0.000	0.000	0.000
12	A	17	PRO	0	-0.029	-0.030	15.634	0.041	0.041	0.000	0.000	0.000	0.000
13	A	18	LYS	1	0.758	0.879	13.875	0.703	0.703	0.000	0.000	0.000	0.000
14	A	19	TRP	0	-0.004	-0.020	12.736	0.080	0.080	0.000	0.000	0.000	0.000
15	A	20	ARG	1	0.867	0.922	16.810	0.306	0.306	0.000	0.000	0.000	0.000
16	A	21	GLY	0	0.017	0.016	20.471	0.031	0.031	0.000	0.000	0.000	0.000
17	A	22	LEU	0	-0.121	-0.069	19.407	0.015	0.015	0.000	0.000	0.000	0.000
18	A	23	LEU	0	0.037	0.034	19.460	0.018	0.018	0.000	0.000	0.000	0.000
19	A	24	VAL	0	0.057	0.035	23.570	0.021	0.021	0.000	0.000	0.000	0.000
20	A	25	PRO	0	-0.006	-0.015	25.920	0.015	0.015	0.000	0.000	0.000	0.000
21	A	26	ALA	0	0.000	0.008	26.393	0.011	0.011	0.000	0.000	0.000	0.000
22	A	27	LEU	0	0.029	-0.002	23.600	0.013	0.013	0.000	0.000	0.000	0.000
23	A	28	LYS	1	0.849	0.905	28.149	0.100	0.100	0.000	0.000	0.000	0.000
24	A	29	LYS	1	0.882	0.944	31.310	0.085	0.085	0.000	0.000	0.000	0.000
25	A	30	VAL	0	0.007	0.008	28.712	0.006	0.006	0.000	0.000	0.000	0.000
26	A	31	GLN	0	0.034	0.018	31.884	0.001	0.001	0.000	0.000	0.000	0.000
27	A	32	GLY	0	0.002	0.001	33.529	0.006	0.006	0.000	0.000	0.000	0.000
28	A	33	GLN	0	-0.077	-0.040	34.467	0.006	0.006	0.000	0.000	0.000	0.000
29	A	34	VAL	0	-0.052	-0.022	33.714	0.005	0.005	0.000	0.000	0.000	0.000
30	A	35	HIS	0	0.002	0.004	35.498	0.003	0.003	0.000	0.000	0.000	0.000
31	A	36	PRO	0	0.001	-0.004	38.393	-0.003	-0.003	0.000	0.000	0.000	0.000
32	A	37	THR	0	-0.059	-0.026	40.724	0.000	0.000	0.000	0.000	0.000	0.000
33	A	38	LEU	0	-0.011	0.022	37.206	0.002	0.002	0.000	0.000	0.000	0.000
34	A	39	GLU	-1	-0.748	-0.847	38.274	-0.051	-0.051	0.000	0.000	0.000	0.000
35	A	40	SER	0	-0.087	-0.046	33.359	-0.001	-0.001	0.000	0.000	0.000	0.000
36	A	41	ASN	0	0.008	-0.004	32.081	-0.008	-0.008	0.000	0.000	0.000	0.000
37	A	42	ASP	-1	-0.775	-0.886	29.350	-0.098	-0.098	0.000	0.000	0.000	0.000
38	A	43	ASP	-1	-0.831	-0.902	27.436	-0.101	-0.101	0.000	0.000	0.000	0.000
39	A	44	ALA	0	0.018	0.011	26.599	-0.004	-0.004	0.000	0.000	0.000	0.000
40	A	45	LEU	0	0.027	0.006	26.474	-0.002	-0.002	0.000	0.000	0.000	0.000
41	A	46	GLN	0	-0.068	-0.044	23.423	-0.019	-0.019	0.000	0.000	0.000	0.000
42	A	47	TYR	0	-0.054	-0.013	21.350	-0.003	-0.003	0.000	0.000	0.000	0.000
43	A	48	VAL	0	0.024	0.002	21.800	0.001	0.001	0.000	0.000	0.000	0.000
44	A	49	GLU	-1	-0.814	-0.926	20.008	-0.214	-0.214	0.000	0.000	0.000	0.000
45	A	50	GLU	-1	-0.843	-0.901	17.534	-0.210	-0.210	0.000	0.000	0.000	0.000
46	A	51	LEU	0	-0.006	0.005	16.845	-0.004	-0.004	0.000	0.000	0.000	0.000
47	A	52	ILE	0	-0.005	0.000	17.964	0.014	0.014	0.000	0.000	0.000	0.000
48	A	53	LEU	0	0.018	0.003	13.782	0.001	0.001	0.000	0.000	0.000	0.000
49	A	54	GLN	0	0.003	0.004	12.480	-0.083	-0.083	0.000	0.000	0.000	0.000
50	A	55	LEU	0	-0.010	-0.010	13.706	0.049	0.049	0.000	0.000	0.000	0.000
51	A	56	LEU	0	0.009	0.000	13.930	0.038	0.038	0.000	0.000	0.000	0.000
52	A	57	ASN	0	0.003	-0.002	7.831	0.068	0.068	0.000	0.000	0.000	0.000
53	A	58	MET	0	-0.026	0.005	10.725	0.118	0.118	0.000	0.000	0.000	0.000
54	A	59	LEU	0	0.007	0.009	12.348	0.099	0.099	0.000	0.000	0.000	0.000
55	A	60	CYS	0	-0.029	-0.020	10.990	0.036	0.036	0.000	0.000	0.000	0.000
56	A	61	GLN	0	0.012	0.008	7.832	-0.208	-0.208	0.000	0.000	0.000	0.000
57	A	62	ALA	0	-0.044	-0.024	9.746	0.201	0.201	0.000	0.000	0.000	0.000
58	A	63	GLN	0	-0.026	-0.008	7.564	-0.022	-0.022	0.000	0.000	0.000	0.000
59	A	64	PRO	0	0.028	0.031	12.279	-0.006	-0.006	0.000	0.000	0.000	0.000
60	A	65	ARG	1	0.854	0.931	12.568	-0.037	-0.037	0.000	0.000	0.000	0.000
61	A	66	SER	0	-0.065	-0.062	18.023	-0.028	-0.028	0.000	0.000	0.000	0.000
62	A	67	ALA	0	0.053	-0.003	20.713	0.006	0.006	0.000	0.000	0.000	0.000
63	A	68	SER	0	0.030	0.026	23.054	0.004	0.004	0.000	0.000	0.000	0.000
64	A	69	ASP	-1	-0.741	-0.830	18.631	0.066	0.066	0.000	0.000	0.000	0.000
65	A	70	VAL	0	-0.026	-0.013	18.390	0.023	0.023	0.000	0.000	0.000	0.000
66	A	71	GLU	-1	-0.796	-0.867	19.804	0.062	0.062	0.000	0.000	0.000	0.000
67	A	72	GLU	-1	-0.879	-0.929	20.848	0.175	0.175	0.000	0.000	0.000	0.000
68	A	73	ARG	1	0.795	0.895	12.576	-0.402	-0.402	0.000	0.000	0.000	0.000
69	A	74	VAL	0	-0.011	0.006	18.829	0.017	0.017	0.000	0.000	0.000	0.000
70	A	75	GLN	0	-0.014	-0.033	21.503	0.019	0.019	0.000	0.000	0.000	0.000
71	A	76	LYS	1	0.807	0.912	20.161	-0.206	-0.206	0.000	0.000	0.000	0.000
72	A	77	SER	0	-0.087	-0.056	18.100	0.026	0.026	0.000	0.000	0.000	0.000
73	A	78	PHE	0	-0.008	-0.004	20.007	-0.006	-0.006	0.000	0.000	0.000	0.000
74	A	79	PRO	0	0.013	0.009	22.620	0.001	0.001	0.000	0.000	0.000	0.000
75	A	80	HIS	0	-0.012	0.005	25.513	-0.019	-0.019	0.000	0.000	0.000	0.000
76	A	81	PRO	0	-0.008	-0.022	29.079	-0.001	-0.001	0.000	0.000	0.000	0.000
77	A	82	ILE	0	-0.037	-0.021	25.869	-0.007	-0.007	0.000	0.000	0.000	0.000
78	A	83	ASP	-1	-0.774	-0.886	25.856	0.076	0.076	0.000	0.000	0.000	0.000
79	A	84	LYS	1	0.958	0.982	26.943	-0.062	-0.062	0.000	0.000	0.000	0.000
80	A	85	TRP	0	-0.030	-0.011	30.402	-0.008	-0.008	0.000	0.000	0.000	0.000
81	A	86	ALA	0	0.018	0.013	25.798	-0.009	-0.009	0.000	0.000	0.000	0.000
82	A	87	ILE	0	-0.008	-0.002	25.684	-0.010	-0.010	0.000	0.000	0.000	0.000
83	A	88	ALA	0	0.022	0.024	27.917	-0.008	-0.008	0.000	0.000	0.000	0.000
84	A	89	ASP	-1	-0.835	-0.892	29.598	-0.029	-0.029	0.000	0.000	0.000	0.000
85	A	90	ALA	0	0.000	-0.004	25.766	-0.009	-0.009	0.000	0.000	0.000	0.000
86	A	91	GLN	0	-0.032	-0.029	27.858	-0.005	-0.005	0.000	0.000	0.000	0.000
87	A	92	SER	0	-0.041	-0.021	29.965	-0.005	-0.005	0.000	0.000	0.000	0.000
88	A	93	ALA	0	0.007	0.018	28.656	-0.004	-0.004	0.000	0.000	0.000	0.000
89	A	94	ILE	0	-0.017	-0.008	26.041	-0.006	-0.006	0.000	0.000	0.000	0.000
90	A	95	GLU	-1	-0.898	-0.943	30.340	-0.007	-0.007	0.000	0.000	0.000	0.000
91	A	96	LYS	1	0.775	0.894	31.599	0.038	0.038	0.000	0.000	0.000	0.000
92	A	97	ARG	1	0.925	0.971	35.114	0.007	0.007	0.000	0.000	0.000	0.000
93	A	98	LYS	1	0.961	0.976	36.743	0.018	0.018	0.000	0.000	0.000	0.000
94	A	99	ARG	1	0.767	0.851	30.398	0.043	0.043	0.000	0.000	0.000	0.000
95	A	100	ARG	1	0.838	0.880	36.659	0.024	0.024	0.000	0.000	0.000	0.000
96	A	101	ASN	0	-0.007	-0.003	32.547	0.004	0.004	0.000	0.000	0.000	0.000
97	A	102	PRO	0	0.010	-0.008	32.361	0.002	0.002	0.000	0.000	0.000	0.000
98	A	103	LEU	0	-0.037	-0.004	26.045	-0.001	-0.001	0.000	0.000	0.000	0.000
99	A	104	SER	0	0.006	-0.022	28.952	-0.008	-0.008	0.000	0.000	0.000	0.000
100	A	105	LEU	0	-0.033	-0.005	23.071	-0.009	-0.009	0.000	0.000	0.000	0.000
101	A	106	PRO	0	0.002	-0.017	24.448	-0.001	-0.001	0.000	0.000	0.000	0.000
102	A	107	VAL	0	0.075	0.044	23.755	-0.023	-0.023	0.000	0.000	0.000	0.000
103	A	108	GLU	-1	-0.949	-0.978	23.169	-0.163	-0.163	0.000	0.000	0.000	0.000
104	A	109	LYS	1	0.879	0.943	21.654	0.194	0.194	0.000	0.000	0.000	0.000
105	A	110	ILE	0	0.044	0.021	18.423	-0.035	-0.035	0.000	0.000	0.000	0.000
106	A	111	HIS	0	-0.015	-0.013	18.415	-0.033	-0.033	0.000	0.000	0.000	0.000
107	A	112	PRO	0	-0.018	-0.020	18.480	-0.013	-0.013	0.000	0.000	0.000	0.000
108	A	113	LEU	0	0.027	0.024	15.079	-0.040	-0.040	0.000	0.000	0.000	0.000
109	A	114	LEU	0	0.007	0.007	13.771	-0.080	-0.080	0.000	0.000	0.000	0.000
110	A	115	LYS	1	0.824	0.924	13.646	0.208	0.208	0.000	0.000	0.000	0.000
111	A	116	GLU	-1	-0.818	-0.864	11.062	-0.788	-0.788	0.000	0.000	0.000	0.000
112	A	117	VAL	0	-0.012	-0.006	9.300	-0.185	-0.185	0.000	0.000	0.000	0.000
113	A	118	LEU	0	-0.061	-0.021	8.707	-0.148	-0.148	0.000	0.000	0.000	0.000
114	A	119	GLY	0	0.036	0.027	9.555	0.043	0.043	0.000	0.000	0.000	0.000
115	A	120	TYR	0	-0.062	-0.064	10.411	0.093	0.093	0.000	0.000	0.000	0.000
116	A	121	LYS	1	0.826	0.902	14.006	0.132	0.132	0.000	0.000	0.000	0.000
117	A	122	ILE	0	0.064	0.035	16.520	0.035	0.035	0.000	0.000	0.000	0.000
118	A	123	ASP	-1	-0.816	-0.914	19.138	-0.119	-0.119	0.000	0.000	0.000	0.000
119	A	124	HIS	0	0.061	0.016	22.410	-0.005	-0.005	0.000	0.000	0.000	0.000
120	A	125	GLN	0	0.030	0.009	24.450	0.001	0.001	0.000	0.000	0.000	0.000
121	A	126	VAL	0	0.017	0.009	19.450	0.011	0.011	0.000	0.000	0.000	0.000
122	A	127	SER	0	0.000	0.008	20.514	-0.010	-0.010	0.000	0.000	0.000	0.000
123	A	128	VAL	0	-0.004	-0.001	21.498	-0.002	-0.002	0.000	0.000	0.000	0.000
124	A	129	TYR	0	0.004	-0.020	22.469	0.000	0.000	0.000	0.000	0.000	0.000
125	A	130	ILE	0	0.033	0.011	17.150	0.008	0.008	0.000	0.000	0.000	0.000
126	A	131	VAL	0	-0.005	-0.010	20.980	0.002	0.002	0.000	0.000	0.000	0.000
127	A	132	ALA	0	0.016	0.016	22.635	0.004	0.004	0.000	0.000	0.000	0.000
128	A	133	VAL	0	0.031	0.019	21.573	0.007	0.007	0.000	0.000	0.000	0.000
129	A	134	LEU	0	-0.015	-0.003	18.264	0.004	0.004	0.000	0.000	0.000	0.000
130	A	135	GLU	-1	-0.769	-0.852	22.374	-0.065	-0.065	0.000	0.000	0.000	0.000
131	A	136	TYR	0	0.024	0.011	26.096	0.007	0.007	0.000	0.000	0.000	0.000
132	A	137	ILE	0	0.025	0.004	22.350	0.007	0.007	0.000	0.000	0.000	0.000
133	A	138	SER	0	-0.022	-0.030	24.215	-0.004	-0.004	0.000	0.000	0.000	0.000
134	A	139	ALA	0	0.008	-0.003	25.900	0.002	0.002	0.000	0.000	0.000	0.000
135	A	140	ASP	-1	-0.827	-0.882	27.138	0.020	0.020	0.000	0.000	0.000	0.000
136	A	141	ILE	0	0.032	0.010	23.219	0.005	0.005	0.000	0.000	0.000	0.000
137	A	142	LEU	0	-0.027	-0.019	27.839	0.002	0.002	0.000	0.000	0.000	0.000
138	A	143	LYS	1	0.851	0.928	30.420	0.000	0.000	0.000	0.000	0.000	0.000
139	A	144	LEU	0	-0.042	-0.007	28.961	0.003	0.003	0.000	0.000	0.000	0.000
140	A	145	VAL	0	-0.001	-0.015	30.478	0.003	0.003	0.000	0.000	0.000	0.000
141	A	146	GLY	0	0.035	0.019	32.428	0.001	0.001	0.000	0.000	0.000	0.000
142	A	147	ASN	0	-0.022	-0.032	35.406	-0.002	-0.002	0.000	0.000	0.000	0.000
143	A	148	TYR	0	-0.013	-0.008	32.598	0.003	0.003	0.000	0.000	0.000	0.000
144	A	149	VAL	0	0.011	0.001	35.296	0.001	0.001	0.000	0.000	0.000	0.000
145	A	150	ARG	1	0.848	0.910	37.962	0.005	0.005	0.000	0.000	0.000	0.000
146	A	151	ASN	0	-0.018	-0.013	40.281	-0.002	-0.002	0.000	0.000	0.000	0.000
147	A	152	ILE	0	-0.044	-0.005	38.544	0.002	0.002	0.000	0.000	0.000	0.000
148	A	153	ARG	1	0.818	0.919	42.215	0.007	0.007	0.000	0.000	0.000	0.000
149	A	154	HIS	0	-0.014	-0.016	38.453	0.000	0.000	0.000	0.000	0.000	0.000
150	A	155	TYR	0	-0.010	0.006	41.431	-0.001	-0.001	0.000	0.000	0.000	0.000
151	A	156	GLU	-1	-0.895	-0.947	37.913	-0.036	-0.036	0.000	0.000	0.000	0.000
152	A	157	ILE	0	-0.007	0.015	32.139	0.003	0.003	0.000	0.000	0.000	0.000
153	A	158	THR	0	-0.028	-0.057	32.261	-0.008	-0.008	0.000	0.000	0.000	0.000
154	A	159	LYS	1	0.812	0.906	24.065	0.113	0.113	0.000	0.000	0.000	0.000
155	A	160	GLN	0	0.010	0.009	28.018	0.002	0.002	0.000	0.000	0.000	0.000
156	A	161	ASP	-1	-0.711	-0.851	30.381	-0.023	-0.023	0.000	0.000	0.000	0.000
157	A	162	ILE	0	0.046	0.021	26.067	0.006	0.006	0.000	0.000	0.000	0.000
158	A	163	LYS	1	0.884	0.948	25.093	0.044	0.044	0.000	0.000	0.000	0.000
159	A	164	VAL	0	0.037	0.032	27.679	0.010	0.010	0.000	0.000	0.000	0.000
160	A	165	ALA	0	0.011	0.006	30.012	0.007	0.007	0.000	0.000	0.000	0.000
161	A	166	MET	0	-0.035	-0.019	22.303	0.007	0.007	0.000	0.000	0.000	0.000
162	A	167	CYS	0	-0.054	-0.040	27.239	0.013	0.013	0.000	0.000	0.000	0.000
163	A	168	ALA	0	0.030	0.018	28.318	0.009	0.009	0.000	0.000	0.000	0.000
164	A	169	ASP	-1	-0.713	-0.819	27.353	0.053	0.053	0.000	0.000	0.000	0.000
165	A	170	LYS	1	0.723	0.848	27.551	-0.056	-0.056	0.000	0.000	0.000	0.000
166	A	171	VAL	0	0.015	0.031	25.351	0.013	0.013	0.000	0.000	0.000	0.000
167	A	172	LEU	0	0.061	0.010	23.290	0.013	0.013	0.000	0.000	0.000	0.000
168	A	173	MET	0	-0.046	-0.018	21.982	0.005	0.005	0.000	0.000	0.000	0.000
169	A	174	ASP	-1	-0.809	-0.884	21.979	0.200	0.200	0.000	0.000	0.000	0.000
170	A	175	MET	0	-0.038	-0.002	18.527	0.027	0.027	0.000	0.000	0.000	0.000
171	A	176	PHE	0	-0.019	-0.028	17.159	0.013	0.013	0.000	0.000	0.000	0.000
172	A	177	HIS	0	-0.047	-0.001	17.567	-0.019	-0.019	0.000	0.000	0.000	0.000
173	A	195	THR	0	-0.026	-0.006	50.336	0.000	0.000	0.000	0.000	0.000	0.000
174	A	196	SER	0	-0.010	-0.009	52.086	0.001	0.001	0.000	0.000	0.000	0.000
175	A	197	GLY	0	-0.004	-0.015	54.746	0.001	0.001	0.000	0.000	0.000	0.000
176	A	198	GLU	-1	-0.958	-0.976	57.720	-0.010	-0.010	0.000	0.000	0.000	0.000
177	A	199	GLN	0	0.024	0.007	58.108	0.000	0.000	0.000	0.000	0.000	0.000
178	A	200	THR	0	0.047	0.024	58.467	0.000	0.000	0.000	0.000	0.000	0.000
179	A	201	TYR	0	0.047	-0.009	60.112	0.000	0.000	0.000	0.000	0.000	0.000
180	A	202	TYR	0	0.014	0.002	55.730	0.000	0.000	0.000	0.000	0.000	0.000
181	A	203	ASP	-1	-0.878	-0.948	53.666	-0.011	-0.011	0.000	0.000	0.000	0.000
182	A	204	LEU	0	0.031	0.022	55.688	0.000	0.000	0.000	0.000	0.000	0.000
183	A	205	VAL	0	0.051	0.025	57.278	0.001	0.001	0.000	0.000	0.000	0.000
184	A	206	LYS	1	0.932	0.963	50.175	0.017	0.017	0.000	0.000	0.000	0.000
185	A	207	ALA	0	-0.017	-0.012	52.141	0.000	0.000	0.000	0.000	0.000	0.000
186	A	208	PHE	0	0.028	0.027	52.428	0.001	0.001	0.000	0.000	0.000	0.000
187	A	209	MET	0	-0.021	-0.013	53.190	0.000	0.000	0.000	0.000	0.000	0.000
188	A	210	ALA	0	-0.055	-0.012	48.389	-0.001	-0.001	0.000	0.000	0.000	0.000
189	A	211	GLU	-1	-0.797	-0.912	48.870	-0.003	-0.003	0.000	0.000	0.000	0.000
190	A	212	ILE	0	-0.030	-0.014	50.054	0.002	0.002	0.000	0.000	0.000	0.000
191	A	213	ARG	1	0.816	0.892	47.800	0.012	0.012	0.000	0.000	0.000	0.000
192	A	214	GLN	0	0.027	0.036	43.267	-0.002	-0.002	0.000	0.000	0.000	0.000
193	A	215	TYR	0	0.029	0.000	46.866	0.002	0.002	0.000	0.000	0.000	0.000
194	A	216	ILE	0	0.017	0.001	49.267	0.002	0.002	0.000	0.000	0.000	0.000
195	A	217	ARG	1	0.751	0.861	38.605	-0.002	-0.002	0.000	0.000	0.000	0.000
196	A	218	GLU	-1	-0.815	-0.906	44.822	0.015	0.015	0.000	0.000	0.000	0.000
197	A	219	LEU	0	-0.015	-0.003	46.715	0.002	0.002	0.000	0.000	0.000	0.000
198	A	220	ASN	0	-0.001	-0.021	46.407	0.002	0.002	0.000	0.000	0.000	0.000
199	A	221	LEU	0	0.017	0.021	41.586	0.002	0.002	0.000	0.000	0.000	0.000
200	A	222	ILE	0	-0.011	-0.009	45.206	0.003	0.003	0.000	0.000	0.000	0.000
201	A	223	ILE	0	-0.027	-0.027	48.198	0.002	0.002	0.000	0.000	0.000	0.000
202	A	224	LYS	1	0.789	0.861	45.714	-0.004	-0.004	0.000	0.000	0.000	0.000
203	A	225	VAL	0	-0.015	0.012	40.987	0.001	0.001	0.000	0.000	0.000	0.000
204	A	226	PHE	0	-0.001	-0.015	43.440	0.003	0.003	0.000	0.000	0.000	0.000
205	A	227	ARG	1	0.933	0.968	46.311	-0.013	-0.013	0.000	0.000	0.000	0.000
206	A	228	GLU	-1	-0.813	-0.882	46.835	0.018	0.018	0.000	0.000	0.000	0.000
207	A	229	PRO	0	0.015	0.011	44.613	0.000	0.000	0.000	0.000	0.000	0.000
208	A	230	PHE	0	-0.025	-0.008	47.233	0.002	0.002	0.000	0.000	0.000	0.000
209	A	231	VAL	0	-0.025	-0.010	50.787	0.000	0.000	0.000	0.000	0.000	0.000
210	A	232	SER	0	0.005	-0.022	48.294	0.000	0.000	0.000	0.000	0.000	0.000
211	A	233	ASN	0	-0.074	-0.028	49.079	0.000	0.000	0.000	0.000	0.000	0.000
212	A	234	SER	0	0.090	0.035	51.394	0.000	0.000	0.000	0.000	0.000	0.000
213	A	235	LYS	1	0.872	0.951	50.794	-0.032	-0.032	0.000	0.000	0.000	0.000
214	A	236	LEU	0	-0.099	-0.032	50.728	0.001	0.001	0.000	0.000	0.000	0.000
215	A	237	PHE	0	-0.035	-0.021	50.132	0.000	0.000	0.000	0.000	0.000	0.000
216	A	238	SER	0	0.022	-0.003	55.548	-0.001	-0.001	0.000	0.000	0.000	0.000
217	A	239	ALA	0	0.066	0.010	58.139	0.000	0.000	0.000	0.000	0.000	0.000
218	A	240	ASN	0	0.034	0.010	59.691	-0.001	-0.001	0.000	0.000	0.000	0.000
219	A	241	ASP	-1	-0.800	-0.856	56.592	0.024	0.024	0.000	0.000	0.000	0.000
220	A	242	VAL	0	0.020	0.012	54.354	0.000	0.000	0.000	0.000	0.000	0.000
221	A	243	GLU	-1	-0.789	-0.888	56.439	0.013	0.013	0.000	0.000	0.000	0.000
222	A	244	ASN	0	-0.086	-0.052	59.323	0.000	0.000	0.000	0.000	0.000	0.000
223	A	245	ILE	0	-0.069	-0.009	52.503	0.001	0.001	0.000	0.000	0.000	0.000
224	A	246	PHE	0	0.010	-0.012	50.003	0.000	0.000	0.000	0.000	0.000	0.000
225	A	247	SER	0	-0.054	-0.026	55.562	-0.001	-0.001	0.000	0.000	0.000	0.000
226	A	248	ARG	1	0.851	0.904	59.321	-0.010	-0.010	0.000	0.000	0.000	0.000
227	A	249	ILE	0	0.007	0.006	52.660	-0.001	-0.001	0.000	0.000	0.000	0.000
228	A	250	VAL	0	-0.017	-0.008	54.508	-0.001	-0.001	0.000	0.000	0.000	0.000
229	A	251	ASP	-1	-0.777	-0.881	56.271	0.007	0.007	0.000	0.000	0.000	0.000
230	A	252	ILE	0	0.015	0.018	55.585	-0.001	-0.001	0.000	0.000	0.000	0.000
231	A	253	HIS	0	-0.021	0.008	51.113	-0.002	-0.002	0.000	0.000	0.000	0.000
232	A	254	GLU	-1	-0.850	-0.923	55.126	0.001	0.001	0.000	0.000	0.000	0.000
233	A	255	LEU	0	-0.045	-0.003	57.695	-0.001	-0.001	0.000	0.000	0.000	0.000
234	A	256	SER	0	0.008	-0.025	54.936	-0.001	-0.001	0.000	0.000	0.000	0.000
235	A	257	VAL	0	0.006	-0.001	52.725	-0.001	-0.001	0.000	0.000	0.000	0.000
236	A	258	LYS	1	0.851	0.918	55.322	-0.002	-0.002	0.000	0.000	0.000	0.000
237	A	259	LEU	0	0.005	0.018	58.508	-0.001	-0.001	0.000	0.000	0.000	0.000
238	A	260	LEU	0	-0.021	-0.009	52.206	-0.001	-0.001	0.000	0.000	0.000	0.000
239	A	261	GLY	0	0.041	0.019	56.047	-0.001	-0.001	0.000	0.000	0.000	0.000
240	A	262	HIS	0	0.000	-0.017	57.243	-0.001	-0.001	0.000	0.000	0.000	0.000
241	A	263	ILE	0	-0.012	0.013	56.635	-0.001	-0.001	0.000	0.000	0.000	0.000
242	A	264	GLU	-1	-0.813	-0.900	52.305	-0.013	-0.013	0.000	0.000	0.000	0.000
243	A	265	ASP	-1	-0.815	-0.904	56.948	-0.012	-0.012	0.000	0.000	0.000	0.000
244	A	266	THR	0	-0.067	-0.053	59.914	0.000	0.000	0.000	0.000	0.000	0.000
245	A	267	VAL	0	-0.019	-0.010	56.553	0.000	0.000	0.000	0.000	0.000	0.000
246	A	268	GLU	-1	-0.818	-0.879	56.525	-0.018	-0.018	0.000	0.000	0.000	0.000
247	A	269	MET	0	-0.045	-0.014	59.196	-0.001	-0.001	0.000	0.000	0.000	0.000
248	A	270	THR	0	-0.052	-0.016	61.717	0.001	0.001	0.000	0.000	0.000	0.000
249	A	271	ASP	-1	-0.836	-0.916	62.003	-0.017	-0.017	0.000	0.000	0.000	0.000
250	A	272	GLU	-1	-0.817	-0.897	60.166	-0.022	-0.022	0.000	0.000	0.000	0.000
251	A	273	GLY	0	-0.019	0.010	62.877	0.000	0.000	0.000	0.000	0.000	0.000
252	A	274	SER	0	-0.049	-0.042	65.317	0.001	0.001	0.000	0.000	0.000	0.000
253	A	275	PRO	0	0.001	0.024	64.789	-0.001	-0.001	0.000	0.000	0.000	0.000
254	A	276	HIS	0	-0.003	-0.017	63.218	0.000	0.000	0.000	0.000	0.000	0.000
255	A	277	PRO	0	0.021	0.017	60.605	0.000	0.000	0.000	0.000	0.000	0.000
256	A	278	LEU	0	-0.010	0.019	63.923	0.001	0.001	0.000	0.000	0.000	0.000
257	A	279	VAL	0	0.030	0.001	61.661	0.000	0.000	0.000	0.000	0.000	0.000
258	A	280	GLY	0	0.034	0.023	64.840	0.001	0.001	0.000	0.000	0.000	0.000
259	A	281	SER	0	-0.006	-0.013	67.844	0.001	0.001	0.000	0.000	0.000	0.000
260	A	282	CYS	0	-0.100	-0.056	63.992	0.000	0.000	0.000	0.000	0.000	0.000
261	A	283	PHE	0	0.002	0.000	61.382	0.001	0.001	0.000	0.000	0.000	0.000
262	A	284	GLU	-1	-0.855	-0.919	66.467	-0.001	-0.001	0.000	0.000	0.000	0.000
263	A	285	ASP	-1	-0.798	-0.881	67.634	-0.004	-0.004	0.000	0.000	0.000	0.000
264	A	286	LEU	0	-0.027	-0.025	62.841	0.001	0.001	0.000	0.000	0.000	0.000
265	A	287	ALA	0	-0.024	-0.006	67.220	0.001	0.001	0.000	0.000	0.000	0.000
266	A	288	GLU	-1	-0.940	-0.964	69.781	-0.001	-0.001	0.000	0.000	0.000	0.000
267	A	289	GLU	-1	-0.864	-0.915	69.331	0.000	0.000	0.000	0.000	0.000	0.000
268	A	290	LEU	0	-0.025	-0.006	69.857	0.001	0.001	0.000	0.000	0.000	0.000
269	A	291	ALA	0	0.007	0.013	64.958	0.001	0.001	0.000	0.000	0.000	0.000
270	A	292	PHE	0	0.006	-0.013	61.882	0.001	0.001	0.000	0.000	0.000	0.000
271	A	293	ASP	-1	-0.847	-0.920	64.811	0.006	0.006	0.000	0.000	0.000	0.000
272	A	294	PRO	0	-0.034	-0.030	62.465	0.001	0.001	0.000	0.000	0.000	0.000
273	A	295	TYR	0	0.071	0.031	57.503	0.001	0.001	0.000	0.000	0.000	0.000
274	A	296	GLU	-1	-0.803	-0.887	62.230	0.010	0.010	0.000	0.000	0.000	0.000
275	A	297	SER	0	-0.043	-0.022	64.333	0.001	0.001	0.000	0.000	0.000	0.000
276	A	298	TYR	0	-0.016	-0.028	54.694	0.001	0.001	0.000	0.000	0.000	0.000
277	A	299	ALA	0	-0.006	-0.008	60.692	0.001	0.001	0.000	0.000	0.000	0.000
278	A	300	ARG	1	0.774	0.868	61.934	-0.009	-0.009	0.000	0.000	0.000	0.000
279	A	301	ASP	-1	-0.813	-0.893	61.430	0.015	0.015	0.000	0.000	0.000	0.000
280	A	302	ILE	0	0.016	0.023	56.200	0.001	0.001	0.000	0.000	0.000	0.000
281	A	303	LEU	0	-0.030	-0.011	58.791	0.002	0.002	0.000	0.000	0.000	0.000
282	A	304	ARG	1	0.791	0.882	61.303	-0.015	-0.015	0.000	0.000	0.000	0.000
283	A	305	PRO	0	-0.054	-0.043	61.855	0.001	0.001	0.000	0.000	0.000	0.000
284	A	306	GLY	0	0.028	0.035	61.841	0.001	0.001	0.000	0.000	0.000	0.000
285	A	307	PHE	0	0.009	0.007	55.027	0.000	0.000	0.000	0.000	0.000	0.000
286	A	308	HIS	0	0.060	0.011	55.463	0.000	0.000	0.000	0.000	0.000	0.000
287	A	309	ASP	-1	-0.852	-0.923	56.138	0.027	0.027	0.000	0.000	0.000	0.000
288	A	310	ARG	1	0.878	0.941	58.043	-0.019	-0.019	0.000	0.000	0.000	0.000
289	A	311	PHE	0	0.036	0.025	49.919	0.001	0.001	0.000	0.000	0.000	0.000
290	A	312	LEU	0	0.020	-0.006	52.135	0.001	0.001	0.000	0.000	0.000	0.000
291	A	313	SER	0	-0.027	-0.009	53.636	0.002	0.002	0.000	0.000	0.000	0.000
292	A	314	GLN	0	-0.023	-0.022	53.451	0.001	0.001	0.000	0.000	0.000	0.000
293	A	315	LEU	0	-0.012	-0.009	48.132	0.001	0.001	0.000	0.000	0.000	0.000
294	A	316	SER	0	-0.084	-0.056	49.948	0.003	0.003	0.000	0.000	0.000	0.000
295	A	317	LYS	1	0.840	0.946	52.403	-0.027	-0.027	0.000	0.000	0.000	0.000
296	A	318	PRO	0	0.022	-0.014	52.866	0.001	0.001	0.000	0.000	0.000	0.000
297	A	319	GLY	0	0.011	0.013	50.183	-0.001	-0.001	0.000	0.000	0.000	0.000
298	A	320	ALA	0	0.019	0.018	48.988	0.001	0.001	0.000	0.000	0.000	0.000
299	A	321	ALA	0	0.000	-0.002	46.926	0.001	0.001	0.000	0.000	0.000	0.000
300	A	322	LEU	0	0.033	0.008	44.777	0.002	0.002	0.000	0.000	0.000	0.000
301	A	323	TYR	0	-0.027	-0.034	44.048	0.002	0.002	0.000	0.000	0.000	0.000
302	A	324	LEU	0	0.038	0.019	44.124	0.001	0.001	0.000	0.000	0.000	0.000
303	A	325	GLN	0	-0.015	-0.014	40.688	-0.002	-0.002	0.000	0.000	0.000	0.000
304	A	326	SER	0	-0.101	-0.054	39.653	0.002	0.002	0.000	0.000	0.000	0.000
305	A	327	ILE	0	-0.011	0.003	39.886	0.000	0.000	0.000	0.000	0.000	0.000
306	A	328	GLY	0	0.009	-0.002	37.151	-0.002	-0.002	0.000	0.000	0.000	0.000
307	A	329	GLU	-1	-0.922	-0.961	31.829	0.095	0.095	0.000	0.000	0.000	0.000
308	A	330	GLY	0	0.015	0.012	35.893	-0.001	-0.001	0.000	0.000	0.000	0.000
309	A	331	PHE	0	-0.021	-0.006	37.996	-0.004	-0.004	0.000	0.000	0.000	0.000
310	A	332	LYS	1	0.899	0.959	40.521	-0.052	-0.052	0.000	0.000	0.000	0.000
311	A	333	GLU	-1	-0.848	-0.939	40.593	0.056	0.056	0.000	0.000	0.000	0.000
312	A	334	ALA	0	0.018	0.015	40.568	-0.003	-0.003	0.000	0.000	0.000	0.000
313	A	335	VAL	0	-0.016	-0.012	42.601	-0.004	-0.004	0.000	0.000	0.000	0.000
314	A	336	GLN	0	-0.003	-0.017	45.623	-0.003	-0.003	0.000	0.000	0.000	0.000
315	A	337	TYR	0	-0.070	-0.060	43.846	-0.003	-0.003	0.000	0.000	0.000	0.000
316	A	338	VAL	0	0.007	0.007	42.317	-0.001	-0.001	0.000	0.000	0.000	0.000
317	A	339	LEU	0	-0.001	0.020	45.658	-0.003	-0.003	0.000	0.000	0.000	0.000
318	A	340	PRO	0	-0.020	-0.020	47.778	-0.002	-0.002	0.000	0.000	0.000	0.000
319	A	341	ARG	1	0.768	0.878	48.126	-0.032	-0.032	0.000	0.000	0.000	0.000
320	A	342	LEU	0	0.021	0.016	44.392	-0.002	-0.002	0.000	0.000	0.000	0.000
321	A	343	LEU	0	0.002	0.003	48.887	-0.002	-0.002	0.000	0.000	0.000	0.000
322	A	344	LEU	0	-0.004	0.007	52.160	-0.001	-0.001	0.000	0.000	0.000	0.000
323	A	345	ALA	0	0.028	0.024	50.241	-0.001	-0.001	0.000	0.000	0.000	0.000
324	A	346	PRO	0	-0.004	-0.005	52.397	-0.001	-0.001	0.000	0.000	0.000	0.000
325	A	347	VAL	0	-0.015	-0.002	55.386	-0.001	-0.001	0.000	0.000	0.000	0.000
326	A	348	TYR	0	0.013	-0.013	52.871	-0.001	-0.001	0.000	0.000	0.000	0.000
327	A	349	HIS	0	0.035	0.033	54.120	-0.002	-0.002	0.000	0.000	0.000	0.000
328	A	350	CYS	0	-0.018	-0.008	56.056	-0.001	-0.001	0.000	0.000	0.000	0.000
329	A	351	LEU	0	0.002	-0.019	59.379	-0.001	-0.001	0.000	0.000	0.000	0.000
330	A	352	HIS	0	-0.028	-0.021	56.845	-0.001	-0.001	0.000	0.000	0.000	0.000
331	A	353	TYR	0	0.023	0.001	57.486	-0.001	-0.001	0.000	0.000	0.000	0.000
332	A	354	PHE	0	0.003	-0.004	61.845	-0.001	-0.001	0.000	0.000	0.000	0.000
333	A	355	GLU	-1	-0.885	-0.918	59.188	0.004	0.004	0.000	0.000	0.000	0.000
334	A	356	LEU	0	-0.009	0.013	58.505	-0.001	-0.001	0.000	0.000	0.000	0.000
335	A	357	LEU	0	0.030	0.000	62.200	-0.001	-0.001	0.000	0.000	0.000	0.000
336	A	358	LYS	1	0.834	0.912	65.420	-0.003	-0.003	0.000	0.000	0.000	0.000
337	A	359	GLN	0	-0.033	-0.020	60.816	-0.001	-0.001	0.000	0.000	0.000	0.000
338	A	360	LEU	0	-0.025	0.000	62.659	-0.001	-0.001	0.000	0.000	0.000	0.000
339	A	361	GLU	-1	-0.908	-0.964	65.961	-0.003	-0.003	0.000	0.000	0.000	0.000
340	A	362	GLU	-1	-0.884	-0.918	66.886	-0.003	-0.003	0.000	0.000	0.000	0.000
341	A	363	LYS	1	0.765	0.863	63.260	0.003	0.003	0.000	0.000	0.000	0.000
342	A	364	SER	0	-0.012	0.007	67.571	-0.001	-0.001	0.000	0.000	0.000	0.000
343	A	365	GLU	-1	-0.948	-0.976	67.839	-0.008	-0.008	0.000	0.000	0.000	0.000
344	A	366	ASP	-1	-0.854	-0.944	70.519	-0.008	-0.008	0.000	0.000	0.000	0.000
345	A	367	GLN	0	-0.066	-0.031	72.732	0.000	0.000	0.000	0.000	0.000	0.000
346	A	368	GLU	-1	-0.816	-0.895	74.197	-0.006	-0.006	0.000	0.000	0.000	0.000
347	A	369	ASP	-1	-0.766	-0.880	68.401	-0.006	-0.006	0.000	0.000	0.000	0.000
348	A	370	LYN	0	0.053	0.055	71.273	0.001	0.001	0.000	0.000	0.000	0.000
349	A	371	GLU	-1	-0.830	-0.914	72.800	-0.003	-0.003	0.000	0.000	0.000	0.000
350	A	372	CYS	0	-0.064	-0.027	71.139	0.000	0.000	0.000	0.000	0.000	0.000
351	A	373	LEU	0	0.006	0.004	66.885	0.001	0.001	0.000	0.000	0.000	0.000
352	A	374	LYS	1	0.819	0.895	70.707	0.003	0.003	0.000	0.000	0.000	0.000
353	A	375	GLN	0	-0.080	-0.026	73.922	0.001	0.001	0.000	0.000	0.000	0.000
354	A	376	ALA	0	0.048	0.021	68.957	0.001	0.001	0.000	0.000	0.000	0.000
355	A	377	ILE	0	-0.042	-0.029	68.961	0.001	0.001	0.000	0.000	0.000	0.000
356	A	378	THR	0	-0.053	-0.045	70.919	0.001	0.001	0.000	0.000	0.000	0.000
357	A	379	ALA	0	-0.002	0.003	72.510	0.001	0.001	0.000	0.000	0.000	0.000
358	A	380	LEU	0	-0.002	0.003	66.604	0.001	0.001	0.000	0.000	0.000	0.000
359	A	381	LEU	0	-0.029	-0.004	70.062	0.001	0.001	0.000	0.000	0.000	0.000
360	A	382	ASN	0	-0.010	0.003	72.218	0.001	0.001	0.000	0.000	0.000	0.000
361	A	383	VAL	0	0.043	0.019	66.376	0.001	0.001	0.000	0.000	0.000	0.000
362	A	384	GLN	0	0.034	0.031	67.246	0.001	0.001	0.000	0.000	0.000	0.000
363	A	385	SER	0	-0.007	-0.018	68.111	0.001	0.001	0.000	0.000	0.000	0.000
364	A	386	GLY	0	0.009	0.010	69.855	0.001	0.001	0.000	0.000	0.000	0.000
365	A	387	MET	0	0.001	-0.002	63.550	0.001	0.001	0.000	0.000	0.000	0.000
366	A	388	GLU	-1	-0.903	-0.930	65.577	0.007	0.007	0.000	0.000	0.000	0.000
367	A	389	LYS	1	0.937	0.969	67.144	-0.009	-0.009	0.000	0.000	0.000	0.000
368	A	390	ILE	0	-0.055	-0.011	64.185	0.001	0.001	0.000	0.000	0.000	0.000
369	A	391	CYS	0	-0.013	-0.017	62.656	0.001	0.001	0.000	0.000	0.000	0.000
370	A	392	SER	0	-0.098	-0.058	63.986	0.001	0.001	0.000	0.000	0.000	0.000
371	A	393	LYS	1	0.976	0.998	65.520	-0.016	-0.016	0.000	0.000	0.000	0.000
372	A	394	SER	0	0.005	-0.016	64.694	0.000	0.000	0.000	0.000	0.000	0.000
373	A	395	LEU	0	-0.102	-0.050	60.984	0.001	0.001	0.000	0.000	0.000	0.000
374	A	396	ALA	0	0.067	0.037	60.696	0.001	0.001	0.000	0.000	0.000	0.000
375	A	397	LYS	1	1.016	1.006	59.879	-0.012	-0.012	0.000	0.000	0.000	0.000
376	A	398	ARG	1	0.808	0.880	58.153	-0.024	-0.024	0.000	0.000	0.000	0.000
377	A	399	ARG	1	0.947	0.968	55.744	-0.020	-0.020	0.000	0.000	0.000	0.000
378	A	400	LEU	0	-0.015	0.008	55.121	0.000	0.000	0.000	0.000	0.000	0.000
379	A	401	SER	0	-0.011	-0.013	55.540	-0.001	-0.001	0.000	0.000	0.000	0.000
380	A	402	GLU	-1	-0.873	-0.926	51.579	0.027	0.027	0.000	0.000	0.000	0.000
381	A	403	SER	0	-0.029	-0.028	50.884	0.001	0.001	0.000	0.000	0.000	0.000
382	A	404	ALA	0	-0.046	0.010	50.499	-0.001	-0.001	0.000	0.000	0.000	0.000
383	A	418	ALA	0	0.013	0.007	42.978	0.001	0.001	0.000	0.000	0.000	0.000
384	A	419	ILE	0	0.046	0.007	39.636	-0.002	-0.002	0.000	0.000	0.000	0.000
385	A	420	LYS	1	0.935	0.968	43.816	-0.006	-0.006	0.000	0.000	0.000	0.000
386	A	421	LYS	1	0.889	0.923	45.727	-0.019	-0.019	0.000	0.000	0.000	0.000
387	A	422	MET	0	0.018	0.037	37.040	0.001	0.001	0.000	0.000	0.000	0.000
388	A	423	ASN	0	0.018	0.006	42.069	0.004	0.004	0.000	0.000	0.000	0.000
389	A	424	GLU	-1	-0.849	-0.899	43.272	0.022	0.022	0.000	0.000	0.000	0.000
390	A	425	ILE	0	0.041	0.021	42.332	0.002	0.002	0.000	0.000	0.000	0.000
391	A	426	GLN	0	-0.005	-0.014	37.652	0.003	0.003	0.000	0.000	0.000	0.000
392	A	427	LYS	1	0.865	0.932	41.810	-0.028	-0.028	0.000	0.000	0.000	0.000
393	A	428	ASN	0	0.006	-0.001	44.724	0.000	0.000	0.000	0.000	0.000	0.000
394	A	429	ILE	0	-0.046	-0.009	40.520	0.002	0.002	0.000	0.000	0.000	0.000
395	A	430	ASP	-1	-0.856	-0.907	43.085	0.041	0.041	0.000	0.000	0.000	0.000
396	A	431	GLY	0	-0.003	-0.008	40.828	0.003	0.003	0.000	0.000	0.000	0.000
397	A	432	TRP	0	-0.020	-0.015	34.696	0.006	0.006	0.000	0.000	0.000	0.000
398	A	433	GLU	-1	-0.806	-0.891	32.695	0.082	0.082	0.000	0.000	0.000	0.000
399	A	434	GLY	0	-0.002	0.003	31.802	0.008	0.008	0.000	0.000	0.000	0.000
400	A	435	LYS	1	0.907	0.952	26.416	-0.049	-0.049	0.000	0.000	0.000	0.000
401	A	436	ASP	-1	-0.796	-0.883	31.975	0.031	0.031	0.000	0.000	0.000	0.000
402	A	437	ILE	0	0.018	0.006	33.811	0.001	0.001	0.000	0.000	0.000	0.000
403	A	438	GLY	0	0.027	0.005	34.779	0.001	0.001	0.000	0.000	0.000	0.000
404	A	439	GLN	0	-0.087	-0.052	29.741	-0.002	-0.002	0.000	0.000	0.000	0.000
405	A	440	CYS	0	-0.097	-0.060	29.772	0.002	0.002	0.000	0.000	0.000	0.000
406	A	441	CYS	0	-0.081	0.001	31.219	0.004	0.004	0.000	0.000	0.000	0.000
407	A	442	ASN	0	-0.045	-0.060	34.047	-0.007	-0.007	0.000	0.000	0.000	0.000
408	A	443	GLU	-1	-0.932	-0.974	37.615	0.013	0.013	0.000	0.000	0.000	0.000
409	A	444	PHE	0	-0.029	-0.036	39.760	0.003	0.003	0.000	0.000	0.000	0.000
410	A	445	ILE	0	0.004	0.011	38.681	-0.001	-0.001	0.000	0.000	0.000	0.000
411	A	446	MET	0	-0.016	-0.006	43.117	-0.001	-0.001	0.000	0.000	0.000	0.000
412	A	447	GLU	-1	-0.853	-0.924	44.653	0.032	0.032	0.000	0.000	0.000	0.000
413	A	448	GLY	0	0.025	0.018	47.066	-0.002	-0.002	0.000	0.000	0.000	0.000
414	A	449	THR	0	-0.056	-0.038	47.872	0.001	0.001	0.000	0.000	0.000	0.000
415	A	450	LEU	0	0.013	0.020	43.801	0.000	0.000	0.000	0.000	0.000	0.000
416	A	451	THR	0	0.009	-0.004	47.032	0.000	0.000	0.000	0.000	0.000	0.000
417	A	452	ARG	1	0.953	0.998	37.067	-0.087	-0.087	0.000	0.000	0.000	0.000
418	A	453	VAL	0	0.044	0.014	43.674	-0.001	-0.001	0.000	0.000	0.000	0.000
419	A	454	GLY	0	0.027	0.017	43.222	0.004	0.004	0.000	0.000	0.000	0.000
420	A	455	ALA	0	-0.065	-0.025	44.539	0.000	0.000	0.000	0.000	0.000	0.000
421	A	456	LYS	1	0.881	0.923	45.940	-0.065	-0.065	0.000	0.000	0.000	0.000
422	A	457	HIS	0	0.000	-0.003	48.535	-0.001	-0.001	0.000	0.000	0.000	0.000
423	A	458	GLU	-1	-0.856	-0.889	48.131	0.043	0.043	0.000	0.000	0.000	0.000
424	A	459	ARG	1	0.818	0.894	42.405	-0.061	-0.061	0.000	0.000	0.000	0.000
425	A	460	HIS	0	0.062	0.026	46.786	0.001	0.001	0.000	0.000	0.000	0.000
426	A	461	ILE	0	-0.038	-0.025	41.808	0.003	0.003	0.000	0.000	0.000	0.000
427	A	462	PHE	0	0.039	0.018	42.257	-0.002	-0.002	0.000	0.000	0.000	0.000
428	A	463	LEU	0	-0.024	-0.011	39.058	0.004	0.004	0.000	0.000	0.000	0.000
429	A	464	PHE	0	0.034	0.000	37.297	-0.004	-0.004	0.000	0.000	0.000	0.000
430	A	465	ASP	-1	-0.689	-0.821	36.091	0.034	0.034	0.000	0.000	0.000	0.000
431	A	466	GLY	0	0.028	0.017	32.629	-0.001	-0.001	0.000	0.000	0.000	0.000
432	A	467	LEU	0	-0.063	-0.026	32.215	0.007	0.007	0.000	0.000	0.000	0.000
433	A	468	MET	0	-0.002	0.004	34.608	-0.003	-0.003	0.000	0.000	0.000	0.000
434	A	469	ILE	0	0.005	0.009	36.661	0.005	0.005	0.000	0.000	0.000	0.000
435	A	470	CYS	0	0.024	0.015	39.386	-0.001	-0.001	0.000	0.000	0.000	0.000
436	A	471	CYS	0	-0.091	-0.041	41.478	0.002	0.002	0.000	0.000	0.000	0.000
437	A	472	LYS	1	0.855	0.919	44.168	-0.045	-0.045	0.000	0.000	0.000	0.000
438	A	473	SER	0	0.083	0.039	47.316	-0.002	-0.002	0.000	0.000	0.000	0.000
439	A	474	ASN	0	-0.010	-0.006	48.239	0.002	0.002	0.000	0.000	0.000	0.000
440	A	475	HIS	0	0.015	0.005	52.353	-0.002	-0.002	0.000	0.000	0.000	0.000
441	A	476	GLY	0	0.016	0.011	55.182	0.000	0.000	0.000	0.000	0.000	0.000
442	A	477	GLN	0	-0.005	0.002	53.643	0.001	0.001	0.000	0.000	0.000	0.000
443	A	478	PRO	0	0.010	0.012	56.243	0.000	0.000	0.000	0.000	0.000	0.000
444	A	479	ARG	1	0.786	0.874	51.249	-0.031	-0.031	0.000	0.000	0.000	0.000
445	A	480	LEU	0	0.023	0.013	53.086	-0.001	-0.001	0.000	0.000	0.000	0.000
446	A	481	PRO	0	0.022	0.005	55.273	0.000	0.000	0.000	0.000	0.000	0.000
447	A	482	GLY	0	0.006	0.000	54.065	0.000	0.000	0.000	0.000	0.000	0.000
448	A	483	ALA	0	-0.035	-0.004	50.864	0.001	0.001	0.000	0.000	0.000	0.000
449	A	484	SER	0	-0.033	-0.040	47.255	-0.002	-0.002	0.000	0.000	0.000	0.000
450	A	485	ASN	0	0.013	-0.011	49.953	0.001	0.001	0.000	0.000	0.000	0.000
451	A	486	ALA	0	0.006	0.031	47.868	-0.001	-0.001	0.000	0.000	0.000	0.000
452	A	487	GLU	-1	-0.824	-0.903	49.871	0.029	0.029	0.000	0.000	0.000	0.000
453	A	488	TYR	0	-0.004	-0.013	46.593	0.001	0.001	0.000	0.000	0.000	0.000
454	A	489	ARG	1	0.853	0.927	40.331	-0.056	-0.056	0.000	0.000	0.000	0.000
455	A	490	LEU	0	-0.006	0.013	37.303	0.001	0.001	0.000	0.000	0.000	0.000
456	A	491	LYS	1	0.718	0.831	37.260	-0.089	-0.089	0.000	0.000	0.000	0.000
457	A	492	GLU	-1	-0.736	-0.849	34.480	0.093	0.093	0.000	0.000	0.000	0.000
458	A	493	LYS	1	0.806	0.894	30.920	-0.093	-0.093	0.000	0.000	0.000	0.000
459	A	494	PHE	0	0.006	-0.010	32.076	0.006	0.006	0.000	0.000	0.000	0.000
460	A	495	PHE	0	0.061	0.009	28.062	-0.007	-0.007	0.000	0.000	0.000	0.000
461	A	496	MET	0	-0.033	0.008	30.009	-0.001	-0.001	0.000	0.000	0.000	0.000
462	A	497	ARG	1	0.951	0.965	22.674	-0.111	-0.111	0.000	0.000	0.000	0.000
463	A	498	LYS	1	0.837	0.909	23.534	-0.175	-0.175	0.000	0.000	0.000	0.000
464	A	499	VAL	0	0.004	0.012	28.964	0.009	0.009	0.000	0.000	0.000	0.000
465	A	500	GLN	0	-0.009	0.015	32.076	-0.003	-0.003	0.000	0.000	0.000	0.000
466	A	501	ILE	0	-0.001	-0.004	34.472	0.002	0.002	0.000	0.000	0.000	0.000
467	A	502	ASN	0	-0.044	-0.034	38.179	-0.005	-0.005	0.000	0.000	0.000	0.000
468	A	503	ASP	-1	-0.817	-0.884	40.734	0.055	0.055	0.000	0.000	0.000	0.000
469	A	504	LYS	1	0.986	0.993	44.386	-0.068	-0.068	0.000	0.000	0.000	0.000
470	A	505	ASP	-1	-0.872	-0.914	47.686	0.048	0.048	0.000	0.000	0.000	0.000
471	A	506	ASP	-1	-0.881	-0.951	47.609	0.060	0.060	0.000	0.000	0.000	0.000
472	A	507	THR	0	-0.038	-0.034	51.020	-0.002	-0.002	0.000	0.000	0.000	0.000
473	A	508	ASN	0	-0.025	0.006	49.064	-0.003	-0.003	0.000	0.000	0.000	0.000
474	A	509	GLU	-1	-0.969	-0.998	51.750	0.047	0.047	0.000	0.000	0.000	0.000
475	A	510	TYR	0	-0.035	-0.019	44.439	0.001	0.001	0.000	0.000	0.000	0.000
476	A	511	LYS	1	0.977	0.989	49.276	-0.047	-0.047	0.000	0.000	0.000	0.000
477	A	512	HIS	0	0.029	0.004	49.698	0.001	0.001	0.000	0.000	0.000	0.000
478	A	513	ALA	0	-0.018	-0.003	45.483	0.000	0.000	0.000	0.000	0.000	0.000
479	A	514	PHE	0	0.021	0.000	40.358	-0.001	-0.001	0.000	0.000	0.000	0.000
480	A	515	GLU	-1	-0.857	-0.907	37.128	0.098	0.098	0.000	0.000	0.000	0.000
481	A	516	ILE	0	-0.003	-0.007	34.568	-0.001	-0.001	0.000	0.000	0.000	0.000
482	A	517	ILE	0	0.032	0.019	30.767	0.002	0.002	0.000	0.000	0.000	0.000
483	A	518	LEU	0	-0.023	-0.003	31.042	-0.002	-0.002	0.000	0.000	0.000	0.000
484	A	519	LYS	1	0.893	0.931	22.551	-0.210	-0.210	0.000	0.000	0.000	0.000
485	A	520	ASP	-1	-0.884	-0.939	23.654	0.245	0.245	0.000	0.000	0.000	0.000
486	A	521	GLU	-1	-0.937	-0.965	26.458	0.131	0.131	0.000	0.000	0.000	0.000
487	A	522	ASN	0	-0.044	-0.021	30.285	0.005	0.005	0.000	0.000	0.000	0.000
488	A	523	SER	0	-0.010	-0.030	33.636	0.000	0.000	0.000	0.000	0.000	0.000
489	A	524	VAL	0	-0.084	-0.034	35.562	-0.004	-0.004	0.000	0.000	0.000	0.000
490	A	525	ILE	0	0.009	0.015	38.245	-0.002	-0.002	0.000	0.000	0.000	0.000
491	A	526	PHE	0	0.005	-0.008	38.215	-0.001	-0.001	0.000	0.000	0.000	0.000
492	A	527	SER	0	-0.034	-0.022	43.494	-0.001	-0.001	0.000	0.000	0.000	0.000
493	A	528	ALA	0	0.051	0.018	47.231	-0.001	-0.001	0.000	0.000	0.000	0.000
494	A	529	LYS	1	0.822	0.894	49.611	-0.039	-0.039	0.000	0.000	0.000	0.000
495	A	530	SER	0	-0.009	-0.009	52.834	-0.001	-0.001	0.000	0.000	0.000	0.000
496	A	531	ALA	0	0.072	0.023	52.362	0.001	0.001	0.000	0.000	0.000	0.000
497	A	532	GLU	-1	-0.869	-0.888	52.377	0.027	0.027	0.000	0.000	0.000	0.000
498	A	533	GLU	-1	-0.747	-0.881	50.177	0.038	0.038	0.000	0.000	0.000	0.000
499	A	534	LYS	1	0.784	0.908	47.162	-0.048	-0.048	0.000	0.000	0.000	0.000
500	A	535	ASN	0	0.029	0.002	47.302	0.003	0.003	0.000	0.000	0.000	0.000
501	A	536	ASN	0	-0.011	0.007	48.020	0.000	0.000	0.000	0.000	0.000	0.000
502	A	537	TRP	0	-0.003	-0.020	43.375	0.001	0.001	0.000	0.000	0.000	0.000
503	A	538	MET	0	-0.011	0.003	41.906	0.003	0.003	0.000	0.000	0.000	0.000
504	A	539	ALA	0	0.011	0.017	42.728	0.001	0.001	0.000	0.000	0.000	0.000
505	A	540	ALA	0	0.024	0.023	42.465	0.000	0.000	0.000	0.000	0.000	0.000
506	A	541	LEU	0	-0.019	-0.013	38.244	0.001	0.001	0.000	0.000	0.000	0.000
507	A	542	ILE	0	-0.011	-0.001	37.935	0.003	0.003	0.000	0.000	0.000	0.000
508	A	543	SER	0	-0.026	-0.038	38.308	-0.001	-0.001	0.000	0.000	0.000	0.000
509	A	544	LEU	0	-0.019	0.003	33.710	-0.001	-0.001	0.000	0.000	0.000	0.000
510	A	545	GLN	0	-0.024	-0.035	32.001	0.005	0.005	0.000	0.000	0.000	0.000
511	A	546	TYR	0	0.021	0.008	33.752	0.002	0.002	0.000	0.000	0.000	0.000
512	A	547	ARG	1	0.816	0.888	36.378	-0.021	-0.021	0.000	0.000	0.000	0.000
513	A	548	SER	0	0.011	-0.009	31.134	-0.005	-0.005	0.000	0.000	0.000	0.000
514	A	549	THR	0	0.019	-0.001	33.864	-0.003	-0.003	0.000	0.000	0.000	0.000
515	A	550	LEU	0	0.003	0.009	34.921	-0.003	-0.003	0.000	0.000	0.000	0.000
516	A	551	GLU	-1	-0.793	-0.874	36.255	0.008	0.008	0.000	0.000	0.000	0.000
517	A	552	ARG	1	0.761	0.855	28.186	-0.033	-0.033	0.000	0.000	0.000	0.000
518	A	553	MET	0	0.015	0.004	35.142	-0.001	-0.001	0.000	0.000	0.000	0.000
519	A	554	LEU	0	0.006	0.021	37.719	-0.002	-0.002	0.000	0.000	0.000	0.000
520	A	555	ASP	-1	-0.785	-0.877	36.546	-0.002	-0.002	0.000	0.000	0.000	0.000
521	A	556	VAL	0	-0.035	-0.016	34.796	-0.003	-0.003	0.000	0.000	0.000	0.000
522	A	557	THR	0	-0.027	-0.024	37.751	-0.001	-0.001	0.000	0.000	0.000	0.000
523	A	558	MET	0	-0.003	0.007	41.419	-0.001	-0.001	0.000	0.000	0.000	0.000
524	A	559	LEU	0	-0.008	0.004	37.119	-0.003	-0.003	0.000	0.000	0.000	0.000
525	A	560	GLN	0	-0.073	-0.062	40.690	-0.003	-0.003	0.000	0.000	0.000	0.000
526	A	561	GLU	-1	-0.767	-0.872	42.149	0.003	0.003	0.000	0.000	0.000	0.000
527	A	562	GLU	-1	-0.836	-0.879	42.325	-0.019	-0.019	0.000	0.000	0.000	0.000
528	A	563	LYS	1	0.859	0.943	38.708	0.009	0.009	0.000	0.000	0.000	0.000
529	A	564	GLU	-1	-0.899	-0.931	44.035	0.004	0.004	0.000	0.000	0.000	0.000
530	A	565	GLU	-1	-0.828	-0.897	47.083	-0.004	-0.004	0.000	0.000	0.000	0.000
531	A	566	GLN	0	-0.016	-0.003	49.644	-0.003	-0.003	0.000	0.000	0.000	0.000
532	A	567	MET	0	-0.050	-0.029	50.679	0.000	0.000	0.000	0.000	0.000	0.000
533	A	568	ARG	1	0.842	0.908	52.343	0.008	0.008	0.000	0.000	0.000	0.000
534	A	569	LEU	0	0.016	0.010	51.521	0.000	0.000	0.000	0.000	0.000	0.000
535	A	570	PRO	0	0.012	0.004	55.494	0.001	0.001	0.000	0.000	0.000	0.000
536	A	571	SER	0	-0.040	-0.040	58.855	-0.001	-0.001	0.000	0.000	0.000	0.000
537	A	572	ALA	0	0.034	0.009	58.986	0.000	0.000	0.000	0.000	0.000	0.000
538	A	573	ASP	-1	-0.912	-0.927	61.049	-0.018	-0.018	0.000	0.000	0.000	0.000
539	A	574	VAL	0	-0.049	-0.030	64.261	0.000	0.000	0.000	0.000	0.000	0.000
540	A	575	TYR	0	0.001	-0.003	60.123	0.000	0.000	0.000	0.000	0.000	0.000
541	A	576	ARG	1	0.907	0.931	61.878	0.018	0.018	0.000	0.000	0.000	0.000
542	A	577	PHE	0	-0.052	-0.029	59.857	-0.001	-0.001	0.000	0.000	0.000	0.000
543	A	578	ALA	0	0.021	0.017	57.138	0.000	0.000	0.000	0.000	0.000	0.000
544	A	579	GLU	-1	-0.897	-0.914	56.443	-0.027	-0.027	0.000	0.000	0.000	0.000
545	A	580	PRO	0	0.001	-0.007	51.755	-0.001	-0.001	0.000	0.000	0.000	0.000
546	A	581	ASP	-1	-0.790	-0.867	50.387	-0.033	-0.033	0.000	0.000	0.000	0.000
547	A	582	SER	0	-0.028	-0.026	50.324	-0.001	-0.001	0.000	0.000	0.000	0.000
548	A	583	GLU	-1	-0.853	-0.937	47.484	-0.050	-0.050	0.000	0.000	0.000	0.000
549	A	584	GLU	-1	-0.857	-0.925	51.438	-0.033	-0.033	0.000	0.000	0.000	0.000
550	A	585	ASN	0	-0.064	-0.052	54.499	0.000	0.000	0.000	0.000	0.000	0.000
551	A	586	ILE	0	-0.010	0.001	51.636	0.001	0.001	0.000	0.000	0.000	0.000
552	A	587	ILE	0	-0.011	0.004	50.795	-0.002	-0.002	0.000	0.000	0.000	0.000
553	A	588	PHE	0	0.013	0.010	47.652	0.002	0.002	0.000	0.000	0.000	0.000
554	A	589	GLU	-1	-0.763	-0.883	47.927	-0.049	-0.049	0.000	0.000	0.000	0.000
555	A	590	GLU	-1	-0.875	-0.938	42.142	-0.060	-0.060	0.000	0.000	0.000	0.000
556	A	591	ASN	0	-0.053	-0.029	43.349	-0.004	-0.004	0.000	0.000	0.000	0.000
557	A	592	MET	0	-0.048	-0.018	44.572	0.000	0.000	0.000	0.000	0.000	0.000
558	A	593	GLN	0	-0.023	-0.004	43.943	0.000	0.000	0.000	0.000	0.000	0.000
559	A	594	PRO	0	0.041	0.017	38.761	-0.002	-0.002	0.000	0.000	0.000	0.000
560	A	595	LYS	1	0.792	0.903	38.423	0.045	0.045	0.000	0.000	0.000	0.000
561	A	596	ALA	0	0.004	-0.002	38.401	-0.003	-0.003	0.000	0.000	0.000	0.000
562	A	597	GLY	0	0.016	-0.006	41.800	0.001	0.001	0.000	0.000	0.000	0.000
563	A	598	ILE	0	0.031	0.018	43.326	0.001	0.001	0.000	0.000	0.000	0.000
564	A	599	PRO	0	0.015	0.016	46.593	-0.002	-0.002	0.000	0.000	0.000	0.000
565	A	600	ILE	0	0.024	0.010	48.025	0.002	0.002	0.000	0.000	0.000	0.000
566	A	601	ILE	0	0.014	0.012	50.112	-0.002	-0.002	0.000	0.000	0.000	0.000
567	A	602	LYS	1	0.744	0.849	50.872	0.048	0.048	0.000	0.000	0.000	0.000
568	A	603	ALA	0	-0.014	-0.020	53.501	0.001	0.001	0.000	0.000	0.000	0.000
569	A	604	GLY	0	0.074	0.034	55.268	-0.001	-0.001	0.000	0.000	0.000	0.000
570	A	605	THR	0	0.004	0.015	57.593	0.001	0.001	0.000	0.000	0.000	0.000
571	A	606	VAL	0	0.030	0.000	60.294	0.000	0.000	0.000	0.000	0.000	0.000
572	A	607	ILE	0	0.020	0.022	60.710	0.000	0.000	0.000	0.000	0.000	0.000
573	A	608	LYS	1	0.884	0.901	54.726	0.029	0.029	0.000	0.000	0.000	0.000
574	A	609	LEU	0	-0.075	-0.023	57.308	-0.001	-0.001	0.000	0.000	0.000	0.000
575	A	610	ILE	0	0.042	0.013	59.018	0.000	0.000	0.000	0.000	0.000	0.000
576	A	611	GLU	-1	-0.825	-0.889	55.314	-0.026	-0.026	0.000	0.000	0.000	0.000
577	A	612	ARG	1	0.837	0.894	49.483	0.033	0.033	0.000	0.000	0.000	0.000
578	A	613	LEU	0	-0.068	-0.018	56.047	0.000	0.000	0.000	0.000	0.000	0.000
579	A	614	THR	0	-0.024	-0.014	58.571	0.001	0.001	0.000	0.000	0.000	0.000
580	A	615	TYR	0	0.007	0.023	50.416	0.001	0.001	0.000	0.000	0.000	0.000
581	A	616	HIS	0	0.094	0.047	51.683	0.001	0.001	0.000	0.000	0.000	0.000
582	A	617	MET	0	-0.041	-0.021	47.663	0.001	0.001	0.000	0.000	0.000	0.000
583	A	618	TYR	0	-0.050	-0.017	49.980	0.000	0.000	0.000	0.000	0.000	0.000
584	A	619	ALA	0	0.076	0.043	52.145	0.000	0.000	0.000	0.000	0.000	0.000
585	A	620	ASP	-1	-0.850	-0.932	52.479	-0.031	-0.031	0.000	0.000	0.000	0.000
586	A	621	PRO	0	0.032	0.004	54.865	0.000	0.000	0.000	0.000	0.000	0.000
587	A	622	ASN	0	0.043	0.017	53.852	0.002	0.002	0.000	0.000	0.000	0.000
588	A	623	PHE	0	-0.010	0.005	55.921	0.000	0.000	0.000	0.000	0.000	0.000
589	A	624	VAL	0	0.066	0.025	57.841	0.000	0.000	0.000	0.000	0.000	0.000
590	A	625	ARG	1	0.829	0.890	58.272	0.025	0.025	0.000	0.000	0.000	0.000
591	A	626	THR	0	0.027	0.019	59.279	0.001	0.001	0.000	0.000	0.000	0.000
592	A	627	PHE	0	0.015	0.015	61.091	0.000	0.000	0.000	0.000	0.000	0.000
593	A	628	LEU	0	0.007	0.008	62.761	0.000	0.000	0.000	0.000	0.000	0.000
594	A	629	THR	0	-0.024	-0.008	64.798	0.001	0.001	0.000	0.000	0.000	0.000
595	A	630	THR	0	-0.049	-0.053	63.531	0.000	0.000	0.000	0.000	0.000	0.000
596	A	631	TYR	0	0.003	-0.004	66.069	0.000	0.000	0.000	0.000	0.000	0.000
597	A	632	ARG	1	0.811	0.876	66.916	0.019	0.019	0.000	0.000	0.000	0.000
598	A	633	SER	0	-0.036	-0.008	66.769	0.000	0.000	0.000	0.000	0.000	0.000
599	A	634	PHE	0	-0.028	-0.013	63.545	-0.001	-0.001	0.000	0.000	0.000	0.000
600	A	635	CYS	0	-0.047	-0.001	67.517	0.000	0.000	0.000	0.000	0.000	0.000
601	A	636	LYS	1	0.974	0.987	69.493	0.019	0.019	0.000	0.000	0.000	0.000
602	A	637	PRO	0	0.063	0.029	72.288	0.000	0.000	0.000	0.000	0.000	0.000
603	A	638	GLN	0	0.038	-0.006	73.444	0.000	0.000	0.000	0.000	0.000	0.000
604	A	639	GLU	-1	-0.927	-0.947	70.201	-0.018	-0.018	0.000	0.000	0.000	0.000
605	A	640	LEU	0	-0.006	-0.011	66.609	0.000	0.000	0.000	0.000	0.000	0.000
606	A	641	LEU	0	0.034	0.012	69.442	0.000	0.000	0.000	0.000	0.000	0.000
607	A	642	SER	0	0.016	0.011	71.651	0.001	0.001	0.000	0.000	0.000	0.000
608	A	643	LEU	0	-0.029	-0.004	66.488	0.000	0.000	0.000	0.000	0.000	0.000
609	A	644	ILE	0	-0.014	-0.014	65.778	0.000	0.000	0.000	0.000	0.000	0.000
610	A	645	ILE	0	0.003	0.011	67.401	0.000	0.000	0.000	0.000	0.000	0.000
611	A	646	GLU	-1	-0.832	-0.895	65.945	-0.017	-0.017	0.000	0.000	0.000	0.000
612	A	647	ARG	1	0.803	0.883	57.496	0.020	0.020	0.000	0.000	0.000	0.000
613	A	648	PHE	0	-0.032	-0.010	63.933	0.000	0.000	0.000	0.000	0.000	0.000
614	A	649	GLU	-1	-0.900	-0.956	66.083	-0.010	-0.010	0.000	0.000	0.000	0.000
615	A	650	ILE	0	-0.035	-0.016	61.207	0.000	0.000	0.000	0.000	0.000	0.000
616	A	651	PRO	0	-0.022	-0.009	64.910	0.001	0.001	0.000	0.000	0.000	0.000
617	A	652	GLU	-1	-0.861	-0.930	63.727	-0.008	-0.008	0.000	0.000	0.000	0.000
618	A	653	PRO	0	-0.053	-0.035	59.944	0.000	0.000	0.000	0.000	0.000	0.000
619	A	654	GLU	-1	-0.872	-0.938	62.888	-0.007	-0.007	0.000	0.000	0.000	0.000
620	A	655	PRO	0	-0.037	-0.011	64.102	0.000	0.000	0.000	0.000	0.000	0.000
621	A	656	THR	0	-0.036	-0.038	61.964	0.000	0.000	0.000	0.000	0.000	0.000
622	A	657	GLU	-1	-0.862	-0.955	65.261	-0.002	-0.002	0.000	0.000	0.000	0.000
623	A	658	ALA	0	-0.025	-0.014	64.676	0.001	0.001	0.000	0.000	0.000	0.000
624	A	659	ASP	-1	-0.819	-0.900	64.496	-0.002	-0.002	0.000	0.000	0.000	0.000
625	A	660	ARG	1	0.870	0.933	67.286	0.002	0.002	0.000	0.000	0.000	0.000
626	A	661	ILE	0	-0.055	-0.038	70.191	0.000	0.000	0.000	0.000	0.000	0.000
627	A	662	ALA	0	0.014	0.008	68.882	0.000	0.000	0.000	0.000	0.000	0.000
628	A	663	ILE	0	-0.028	-0.003	70.676	0.000	0.000	0.000	0.000	0.000	0.000
629	A	664	GLU	-1	-0.906	-0.938	72.064	-0.001	-0.001	0.000	0.000	0.000	0.000
630	A	665	ASN	0	-0.045	-0.019	72.758	0.001	0.001	0.000	0.000	0.000	0.000
631	A	666	GLY	0	-0.007	-0.013	71.770	0.000	0.000	0.000	0.000	0.000	0.000
632	A	667	ASP	-1	-0.954	-0.990	66.244	0.005	0.005	0.000	0.000	0.000	0.000
633	A	668	GLN	0	-0.030	0.016	67.045	-0.001	-0.001	0.000	0.000	0.000	0.000
634	A	669	PRO	0	0.035	0.023	63.151	0.000	0.000	0.000	0.000	0.000	0.000
635	A	670	LEU	0	-0.016	-0.016	63.150	0.000	0.000	0.000	0.000	0.000	0.000
636	A	671	SER	0	0.032	0.019	62.768	-0.001	-0.001	0.000	0.000	0.000	0.000
637	A	672	ALA	0	-0.020	-0.014	60.024	-0.001	-0.001	0.000	0.000	0.000	0.000
638	A	673	GLU	-1	-0.874	-0.922	54.879	-0.004	-0.004	0.000	0.000	0.000	0.000
639	A	674	LEU	0	0.031	0.008	56.828	-0.001	-0.001	0.000	0.000	0.000	0.000
640	A	675	LYS	1	0.873	0.922	58.736	0.001	0.001	0.000	0.000	0.000	0.000
641	A	676	ARG	1	0.861	0.936	52.034	0.000	0.000	0.000	0.000	0.000	0.000
642	A	677	PHE	0	0.022	0.016	53.472	-0.001	-0.001	0.000	0.000	0.000	0.000
643	A	678	ARG	1	0.834	0.910	55.857	0.006	0.006	0.000	0.000	0.000	0.000
644	A	679	LYS	1	0.853	0.916	56.488	0.006	0.006	0.000	0.000	0.000	0.000
645	A	680	GLU	-1	-0.817	-0.907	53.136	-0.009	-0.009	0.000	0.000	0.000	0.000
646	A	681	TYR	0	-0.019	0.010	55.075	-0.002	-0.002	0.000	0.000	0.000	0.000
647	A	682	ILE	0	0.014	-0.005	57.295	-0.001	-0.001	0.000	0.000	0.000	0.000
648	A	683	GLN	0	-0.047	-0.018	59.327	0.000	0.000	0.000	0.000	0.000	0.000
649	A	684	PRO	0	0.018	0.005	55.607	0.000	0.000	0.000	0.000	0.000	0.000
650	A	685	VAL	0	0.002	0.013	58.012	-0.001	-0.001	0.000	0.000	0.000	0.000
651	A	686	GLN	0	-0.003	-0.011	60.113	0.000	0.000	0.000	0.000	0.000	0.000
652	A	687	LEU	0	-0.005	0.018	60.475	0.000	0.000	0.000	0.000	0.000	0.000
653	A	688	ARG	1	0.810	0.854	54.536	0.018	0.018	0.000	0.000	0.000	0.000
654	A	689	VAL	0	-0.017	-0.009	61.582	-0.001	-0.001	0.000	0.000	0.000	0.000
655	A	690	LEU	0	0.006	-0.005	64.681	0.000	0.000	0.000	0.000	0.000	0.000
656	A	691	ASN	0	0.018	0.007	61.155	0.000	0.000	0.000	0.000	0.000	0.000
657	A	692	VAL	0	-0.022	-0.004	62.849	0.000	0.000	0.000	0.000	0.000	0.000
658	A	693	CYS	0	0.001	0.010	65.376	0.000	0.000	0.000	0.000	0.000	0.000
659	A	694	ARG	1	0.884	0.921	66.924	0.014	0.014	0.000	0.000	0.000	0.000
660	A	695	HIS	1	0.836	0.903	63.838	0.017	0.017	0.000	0.000	0.000	0.000
661	A	696	TRP	0	-0.019	-0.008	67.787	0.000	0.000	0.000	0.000	0.000	0.000
662	A	697	VAL	0	-0.002	-0.010	70.434	0.000	0.000	0.000	0.000	0.000	0.000
663	A	698	GLU	-1	-0.805	-0.868	69.946	-0.013	-0.013	0.000	0.000	0.000	0.000
664	A	699	HIS	0	-0.025	-0.016	67.326	0.000	0.000	0.000	0.000	0.000	0.000
665	A	700	HIS	0	0.017	0.010	67.816	0.000	0.000	0.000	0.000	0.000	0.000
666	A	701	PHE	0	0.038	0.024	72.998	0.000	0.000	0.000	0.000	0.000	0.000
667	A	702	TYR	0	0.099	0.055	71.881	0.000	0.000	0.000	0.000	0.000	0.000
668	A	703	ASP	-1	-0.805	-0.883	73.686	-0.017	-0.017	0.000	0.000	0.000	0.000
669	A	704	PHE	0	-0.024	-0.021	73.808	0.000	0.000	0.000	0.000	0.000	0.000
670	A	705	GLU	-1	-0.866	-0.892	78.893	-0.012	-0.012	0.000	0.000	0.000	0.000
671	A	706	ARG	1	0.759	0.873	75.670	0.017	0.017	0.000	0.000	0.000	0.000
672	A	707	ASP	-1	-0.814	-0.891	79.898	-0.013	-0.013	0.000	0.000	0.000	0.000
673	A	708	ALA	0	0.060	0.019	81.319	0.000	0.000	0.000	0.000	0.000	0.000
674	A	709	TYR	0	0.007	0.009	81.444	0.000	0.000	0.000	0.000	0.000	0.000
675	A	710	LEU	0	-0.053	-0.020	75.302	0.000	0.000	0.000	0.000	0.000	0.000
676	A	711	LEU	0	-0.025	-0.008	78.306	0.000	0.000	0.000	0.000	0.000	0.000
677	A	712	GLN	0	-0.068	-0.042	79.987	0.000	0.000	0.000	0.000	0.000	0.000
678	A	713	ARG	1	0.888	0.913	74.939	0.014	0.014	0.000	0.000	0.000	0.000
679	A	714	MET	0	-0.004	0.019	72.102	0.000	0.000	0.000	0.000	0.000	0.000
680	A	715	GLU	-1	-0.803	-0.897	76.675	-0.010	-0.010	0.000	0.000	0.000	0.000
681	A	716	GLU	-1	-0.881	-0.931	79.210	-0.009	-0.009	0.000	0.000	0.000	0.000
682	A	717	PHE	0	-0.016	-0.003	70.102	0.000	0.000	0.000	0.000	0.000	0.000
683	A	718	ILE	0	0.007	0.004	72.548	0.000	0.000	0.000	0.000	0.000	0.000
684	A	719	GLY	0	0.019	0.017	75.545	0.000	0.000	0.000	0.000	0.000	0.000
685	A	720	THR	0	-0.099	-0.062	75.374	0.000	0.000	0.000	0.000	0.000	0.000
686	A	721	VAL	0	0.013	0.026	70.687	0.000	0.000	0.000	0.000	0.000	0.000
687	A	722	ARG	1	0.897	0.934	72.135	0.008	0.008	0.000	0.000	0.000	0.000
688	A	723	GLY	0	0.031	0.007	69.886	0.000	0.000	0.000	0.000	0.000	0.000
689	A	724	LYS	1	0.769	0.850	68.119	0.002	0.002	0.000	0.000	0.000	0.000
690	A	725	ALA	0	0.078	0.045	65.977	0.000	0.000	0.000	0.000	0.000	0.000
691	A	726	MET	0	0.014	0.010	66.829	0.000	0.000	0.000	0.000	0.000	0.000
692	A	727	LYS	1	0.969	0.993	69.320	0.004	0.004	0.000	0.000	0.000	0.000
693	A	728	LYS	1	0.875	0.930	67.239	0.005	0.005	0.000	0.000	0.000	0.000
694	A	729	TRP	0	0.041	0.013	63.749	0.000	0.000	0.000	0.000	0.000	0.000
695	A	730	VAL	0	0.049	0.022	69.745	-0.001	-0.001	0.000	0.000	0.000	0.000
696	A	731	GLU	-1	-0.900	-0.940	73.157	-0.007	-0.007	0.000	0.000	0.000	0.000
697	A	732	SER	0	-0.059	-0.030	70.333	0.000	0.000	0.000	0.000	0.000	0.000
698	A	733	ILE	0	-0.038	-0.003	69.952	-0.001	-0.001	0.000	0.000	0.000	0.000
699	A	734	THR	0	0.035	-0.004	73.610	0.000	0.000	0.000	0.000	0.000	0.000
700	A	735	LYS	1	0.821	0.900	75.227	0.008	0.008	0.000	0.000	0.000	0.000
701	A	736	ILE	0	-0.035	-0.017	72.575	0.000	0.000	0.000	0.000	0.000	0.000
702	A	737	ILE	0	0.037	0.012	76.020	0.000	0.000	0.000	0.000	0.000	0.000
703	A	738	GLN	0	-0.051	-0.034	78.344	0.000	0.000	0.000	0.000	0.000	0.000
704	A	739	ARG	1	0.878	0.923	73.717	0.012	0.012	0.000	0.000	0.000	0.000
705	A	740	LYS	1	0.801	0.905	74.211	0.013	0.013	0.000	0.000	0.000	0.000
706	A	741	LYS	1	0.803	0.886	79.971	0.010	0.010	0.000	0.000	0.000	0.000
707	A	742	ILE	0	0.012	0.000	82.650	0.000	0.000	0.000	0.000	0.000	0.000
708	A	743	ALA	0	-0.051	-0.023	81.188	0.000	0.000	0.000	0.000	0.000	0.000
709	A	744	ARG	1	0.804	0.885	83.162	0.011	0.011	0.000	0.000	0.000	0.000
710	A	745	ASP	-1	-0.930	-0.960	84.927	-0.009	-0.009	0.000	0.000	0.000	0.000
711	A	746	ASN	0	-0.059	-0.042	88.196	0.000	0.000	0.000	0.000	0.000	0.000
712	A	747	GLY	0	-0.006	-0.018	87.126	0.000	0.000	0.000	0.000	0.000	0.000
713	A	748	PRO	0	0.021	0.047	82.134	0.000	0.000	0.000	0.000	0.000	0.000
714	A	749	GLY	0	-0.010	0.005	81.567	0.000	0.000	0.000	0.000	0.000	0.000
715	A	750	HIS	0	0.002	-0.006	82.625	-0.001	-0.001	0.000	0.000	0.000	0.000
716	A	751	ASN	0	-0.070	-0.045	85.747	0.000	0.000	0.000	0.000	0.000	0.000
717	A	752	ILE	0	0.011	0.026	81.102	0.000	0.000	0.000	0.000	0.000	0.000
718	A	753	THR	0	0.009	0.001	82.675	0.000	0.000	0.000	0.000	0.000	0.000
719	A	754	PHE	0	-0.013	-0.011	80.089	0.000	0.000	0.000	0.000	0.000	0.000
720	A	755	GLN	0	-0.012	-0.005	77.694	0.001	0.001	0.000	0.000	0.000	0.000
721	A	756	SER	0	-0.013	0.003	80.199	0.000	0.000	0.000	0.000	0.000	0.000
722	A	757	SER	0	0.023	-0.008	81.451	0.000	0.000	0.000	0.000	0.000	0.000
723	A	758	PRO	0	0.026	0.012	84.217	0.000	0.000	0.000	0.000	0.000	0.000
724	A	759	PRO	0	-0.007	-0.005	84.560	0.000	0.000	0.000	0.000	0.000	0.000
725	A	760	THR	0	-0.034	-0.005	87.712	0.000	0.000	0.000	0.000	0.000	0.000
726	A	761	VAL	0	-0.010	0.001	91.047	0.000	0.000	0.000	0.000	0.000	0.000
727	A	762	GLU	-1	-0.821	-0.885	91.191	-0.011	-0.011	0.000	0.000	0.000	0.000
728	A	763	TRP	0	-0.014	-0.021	94.387	0.000	0.000	0.000	0.000	0.000	0.000
729	A	764	HIS	0	-0.001	0.011	97.215	0.000	0.000	0.000	0.000	0.000	0.000
730	A	765	ILE	0	-0.043	-0.007	99.701	0.000	0.000	0.000	0.000	0.000	0.000
731	A	766	SER	0	-0.014	-0.005	101.350	0.000	0.000	0.000	0.000	0.000	0.000
732	A	767	ARG	1	0.932	0.965	102.642	0.008	0.008	0.000	0.000	0.000	0.000
733	A	768	PRO	0	0.051	0.009	100.589	0.000	0.000	0.000	0.000	0.000	0.000
734	A	769	GLY	0	0.036	0.030	100.690	0.000	0.000	0.000	0.000	0.000	0.000
735	A	770	HIS	0	-0.075	-0.027	102.162	0.000	0.000	0.000	0.000	0.000	0.000
736	A	771	ILE	0	0.064	0.031	100.159	0.000	0.000	0.000	0.000	0.000	0.000
737	A	772	GLU	-1	-0.897	-0.947	102.316	-0.010	-0.010	0.000	0.000	0.000	0.000
738	A	773	THR	0	-0.114	-0.071	104.266	0.000	0.000	0.000	0.000	0.000	0.000
739	A	774	PHE	0	-0.024	-0.001	97.866	0.000	0.000	0.000	0.000	0.000	0.000
740	A	775	ASP	-1	-0.761	-0.876	99.401	-0.012	-0.012	0.000	0.000	0.000	0.000
741	A	776	LEU	0	-0.017	-0.010	93.498	0.000	0.000	0.000	0.000	0.000	0.000
742	A	777	LEU	0	-0.001	-0.010	96.474	0.000	0.000	0.000	0.000	0.000	0.000
743	A	778	THR	0	-0.028	-0.018	99.168	0.000	0.000	0.000	0.000	0.000	0.000
744	A	779	LEU	0	0.027	0.013	95.355	0.000	0.000	0.000	0.000	0.000	0.000
745	A	780	HIS	0	0.040	0.007	93.427	0.000	0.000	0.000	0.000	0.000	0.000
746	A	781	PRO	0	0.013	-0.009	91.236	0.000	0.000	0.000	0.000	0.000	0.000
747	A	782	ILE	0	0.009	0.010	87.858	0.000	0.000	0.000	0.000	0.000	0.000
748	A	783	GLU	-1	-0.760	-0.867	88.906	-0.012	-0.012	0.000	0.000	0.000	0.000
749	A	784	ILE	0	-0.003	0.005	90.156	0.000	0.000	0.000	0.000	0.000	0.000
750	A	785	ALA	0	0.047	0.027	85.829	0.000	0.000	0.000	0.000	0.000	0.000
751	A	786	ARG	1	0.816	0.899	85.620	0.012	0.012	0.000	0.000	0.000	0.000
752	A	787	GLN	0	-0.006	-0.027	85.828	0.000	0.000	0.000	0.000	0.000	0.000
753	A	788	LEU	0	-0.003	0.010	86.348	0.000	0.000	0.000	0.000	0.000	0.000
754	A	789	THR	0	0.010	-0.008	80.756	-0.001	-0.001	0.000	0.000	0.000	0.000
755	A	790	LEU	0	-0.040	-0.010	81.958	0.000	0.000	0.000	0.000	0.000	0.000
756	A	791	LEU	0	-0.040	-0.012	83.064	0.000	0.000	0.000	0.000	0.000	0.000
757	A	792	GLU	-1	-0.721	-0.817	80.943	-0.017	-0.017	0.000	0.000	0.000	0.000
758	A	793	SER	0	-0.013	0.003	77.654	0.000	0.000	0.000	0.000	0.000	0.000
759	A	794	ASP	-1	-0.830	-0.909	78.423	-0.014	-0.014	0.000	0.000	0.000	0.000
760	A	795	LEU	0	-0.070	-0.032	79.982	0.000	0.000	0.000	0.000	0.000	0.000
761	A	796	TYR	0	0.012	-0.028	70.716	0.000	0.000	0.000	0.000	0.000	0.000
762	A	797	ARG	1	0.818	0.900	75.190	0.014	0.014	0.000	0.000	0.000	0.000
763	A	798	ALA	0	-0.005	0.012	75.720	0.000	0.000	0.000	0.000	0.000	0.000
764	A	799	VAL	0	-0.046	-0.010	73.927	0.000	0.000	0.000	0.000	0.000	0.000
765	A	800	GLN	0	0.008	0.000	73.051	0.000	0.000	0.000	0.000	0.000	0.000
766	A	801	PRO	0	0.039	0.009	67.954	0.000	0.000	0.000	0.000	0.000	0.000
767	A	802	SER	0	0.000	-0.021	70.082	-0.001	-0.001	0.000	0.000	0.000	0.000
768	A	803	GLU	-1	-0.834	-0.881	71.312	-0.018	-0.018	0.000	0.000	0.000	0.000
769	A	804	LEU	0	-0.003	-0.006	69.986	0.000	0.000	0.000	0.000	0.000	0.000
770	A	805	VAL	0	-0.009	-0.008	66.538	-0.001	-0.001	0.000	0.000	0.000	0.000
771	A	806	GLY	0	0.000	-0.003	68.757	0.001	0.001	0.000	0.000	0.000	0.000
772	A	807	SER	0	-0.039	-0.045	70.013	0.001	0.001	0.000	0.000	0.000	0.000
773	A	808	VAL	0	-0.034	0.005	72.836	0.001	0.001	0.000	0.000	0.000	0.000
774	A	809	TRP	0	0.034	0.029	71.095	0.001	0.001	0.000	0.000	0.000	0.000
775	A	810	THR	0	-0.072	-0.051	75.831	0.001	0.001	0.000	0.000	0.000	0.000
776	A	811	LYS	1	0.858	0.927	76.857	0.019	0.019	0.000	0.000	0.000	0.000
777	A	812	GLU	-1	-0.897	-0.945	79.151	-0.017	-0.017	0.000	0.000	0.000	0.000
778	A	813	ASP	-1	-0.839	-0.910	80.480	-0.017	-0.017	0.000	0.000	0.000	0.000
779	A	814	LYS	1	0.817	0.912	80.109	0.018	0.018	0.000	0.000	0.000	0.000
780	A	815	GLU	-1	-0.780	-0.870	81.060	-0.016	-0.016	0.000	0.000	0.000	0.000
781	A	816	ILE	0	0.000	0.013	80.864	0.000	0.000	0.000	0.000	0.000	0.000
782	A	817	ASN	0	-0.006	-0.013	76.812	0.000	0.000	0.000	0.000	0.000	0.000
783	A	818	SER	0	-0.002	-0.022	76.008	0.000	0.000	0.000	0.000	0.000	0.000
784	A	819	PRO	0	0.041	0.022	78.470	0.000	0.000	0.000	0.000	0.000	0.000
785	A	820	ASN	0	-0.029	-0.025	78.163	0.001	0.001	0.000	0.000	0.000	0.000
786	A	821	LEU	0	-0.002	0.005	75.491	0.000	0.000	0.000	0.000	0.000	0.000
787	A	822	LEU	0	-0.012	-0.003	78.789	0.000	0.000	0.000	0.000	0.000	0.000
788	A	823	LYS	1	0.878	0.936	82.102	0.014	0.014	0.000	0.000	0.000	0.000
789	A	824	MET	0	0.002	0.012	76.481	0.000	0.000	0.000	0.000	0.000	0.000
790	A	825	ILE	0	0.034	0.015	78.288	0.000	0.000	0.000	0.000	0.000	0.000
791	A	826	ARG	1	0.820	0.880	82.265	0.016	0.016	0.000	0.000	0.000	0.000
792	A	827	HIS	0	-0.011	-0.011	84.055	0.001	0.001	0.000	0.000	0.000	0.000
793	A	828	THR	0	-0.014	-0.017	81.457	0.000	0.000	0.000	0.000	0.000	0.000
794	A	829	THR	0	-0.048	-0.019	84.430	0.000	0.000	0.000	0.000	0.000	0.000
795	A	830	ASN	0	-0.020	-0.031	86.793	0.000	0.000	0.000	0.000	0.000	0.000
796	A	831	LEU	0	0.001	0.002	86.299	0.000	0.000	0.000	0.000	0.000	0.000
797	A	832	THR	0	-0.043	-0.031	85.803	0.000	0.000	0.000	0.000	0.000	0.000
798	A	833	LEU	0	0.055	0.018	88.240	0.000	0.000	0.000	0.000	0.000	0.000
799	A	834	TRP	0	0.012	0.006	91.454	0.000	0.000	0.000	0.000	0.000	0.000
800	A	835	PHE	0	0.019	0.004	87.360	0.000	0.000	0.000	0.000	0.000	0.000
801	A	836	GLU	-1	-0.834	-0.939	89.672	-0.016	-0.016	0.000	0.000	0.000	0.000
802	A	837	LYS	1	0.811	0.904	93.447	0.013	0.013	0.000	0.000	0.000	0.000
803	A	838	CYS	0	-0.042	-0.021	95.710	0.000	0.000	0.000	0.000	0.000	0.000
804	A	839	ILE	0	-0.023	0.006	92.491	0.000	0.000	0.000	0.000	0.000	0.000
805	A	840	VAL	0	0.003	-0.017	96.201	0.000	0.000	0.000	0.000	0.000	0.000
806	A	841	GLU	-1	-0.745	-0.831	98.886	-0.012	-0.012	0.000	0.000	0.000	0.000
807	A	842	THR	0	-0.069	-0.020	100.139	0.001	0.001	0.000	0.000	0.000	0.000
808	A	843	GLU	-1	-0.799	-0.890	102.157	-0.012	-0.012	0.000	0.000	0.000	0.000
809	A	844	ASN	0	0.001	-0.002	104.737	0.000	0.000	0.000	0.000	0.000	0.000
810	A	845	LEU	0	0.042	0.025	100.314	0.000	0.000	0.000	0.000	0.000	0.000
811	A	846	GLU	-1	-0.795	-0.885	101.678	-0.012	-0.012	0.000	0.000	0.000	0.000
812	A	847	GLU	-1	-0.833	-0.907	102.578	-0.011	-0.011	0.000	0.000	0.000	0.000
813	A	848	ARG	1	0.819	0.888	97.981	0.013	0.013	0.000	0.000	0.000	0.000
814	A	849	VAL	0	0.014	0.018	97.250	0.000	0.000	0.000	0.000	0.000	0.000
815	A	850	ALA	0	-0.012	-0.009	96.575	0.000	0.000	0.000	0.000	0.000	0.000
816	A	851	VAL	0	-0.012	-0.005	95.738	0.000	0.000	0.000	0.000	0.000	0.000
817	A	852	VAL	0	0.055	0.021	91.776	0.000	0.000	0.000	0.000	0.000	0.000
818	A	853	SER	0	-0.075	-0.058	92.071	0.000	0.000	0.000	0.000	0.000	0.000
819	A	854	ARG	1	0.836	0.912	92.092	0.012	0.012	0.000	0.000	0.000	0.000
820	A	855	ILE	0	0.044	0.021	89.149	0.000	0.000	0.000	0.000	0.000	0.000
821	A	856	ILE	0	-0.003	0.008	86.719	0.000	0.000	0.000	0.000	0.000	0.000
822	A	857	GLU	-1	-0.809	-0.880	87.370	-0.014	-0.014	0.000	0.000	0.000	0.000
823	A	858	ILE	0	0.000	0.003	87.474	0.000	0.000	0.000	0.000	0.000	0.000
824	A	859	LEU	0	-0.009	0.008	82.075	0.000	0.000	0.000	0.000	0.000	0.000
825	A	860	GLN	0	-0.034	-0.036	83.362	0.000	0.000	0.000	0.000	0.000	0.000
826	A	861	VAL	0	0.016	0.015	83.186	0.000	0.000	0.000	0.000	0.000	0.000
827	A	862	PHE	0	-0.007	-0.005	81.825	0.000	0.000	0.000	0.000	0.000	0.000
828	A	863	GLN	0	-0.018	0.000	77.623	-0.001	-0.001	0.000	0.000	0.000	0.000
829	A	864	GLU	-1	-0.942	-0.967	78.446	-0.015	-0.015	0.000	0.000	0.000	0.000
830	A	865	LEU	0	-0.032	-0.004	79.128	0.000	0.000	0.000	0.000	0.000	0.000
831	A	866	ASN	0	0.019	0.015	74.788	0.000	0.000	0.000	0.000	0.000	0.000
832	A	867	ASN	0	0.009	0.007	76.203	-0.001	-0.001	0.000	0.000	0.000	0.000
833	A	868	PHE	0	0.050	0.003	72.241	0.000	0.000	0.000	0.000	0.000	0.000
834	A	869	ASN	0	-0.035	-0.018	77.045	-0.001	-0.001	0.000	0.000	0.000	0.000
835	A	870	GLY	0	0.078	0.036	78.713	0.000	0.000	0.000	0.000	0.000	0.000
836	A	871	VAL	0	-0.055	-0.039	79.142	0.000	0.000	0.000	0.000	0.000	0.000
837	A	872	LEU	0	0.001	-0.005	75.674	0.000	0.000	0.000	0.000	0.000	0.000
838	A	873	GLH	0	-0.003	-0.009	80.318	0.000	0.000	0.000	0.000	0.000	0.000
839	A	874	VAL	0	-0.004	0.004	83.474	0.000	0.000	0.000	0.000	0.000	0.000
840	A	875	VAL	0	-0.022	-0.015	80.509	0.000	0.000	0.000	0.000	0.000	0.000
841	A	876	SER	0	-0.040	-0.028	82.155	0.000	0.000	0.000	0.000	0.000	0.000
842	A	877	ALA	0	0.021	0.012	84.251	0.000	0.000	0.000	0.000	0.000	0.000
843	A	878	MET	0	-0.065	-0.029	86.284	0.000	0.000	0.000	0.000	0.000	0.000
844	A	879	ASN	0	0.026	0.011	82.001	0.000	0.000	0.000	0.000	0.000	0.000
845	A	880	SER	0	-0.009	0.019	86.231	0.000	0.000	0.000	0.000	0.000	0.000
846	A	881	SER	0	-0.002	-0.011	88.689	0.000	0.000	0.000	0.000	0.000	0.000
847	A	882	PRO	0	-0.028	-0.022	91.018	0.000	0.000	0.000	0.000	0.000	0.000
848	A	883	VAL	0	0.042	0.036	91.007	0.000	0.000	0.000	0.000	0.000	0.000
849	A	884	TYR	0	-0.008	-0.003	84.628	0.000	0.000	0.000	0.000	0.000	0.000
850	A	885	ARG	1	0.812	0.898	90.415	0.015	0.015	0.000	0.000	0.000	0.000
851	A	886	LEU	0	-0.046	0.000	93.502	0.000	0.000	0.000	0.000	0.000	0.000
852	A	887	ASP	-1	-0.870	-0.942	93.722	-0.016	-0.016	0.000	0.000	0.000	0.000
853	A	888	HIS	0	-0.035	-0.037	95.567	0.000	0.000	0.000	0.000	0.000	0.000
854	A	889	THR	0	-0.028	-0.032	95.486	0.000	0.000	0.000	0.000	0.000	0.000
855	A	890	PHE	0	-0.011	-0.018	89.965	0.000	0.000	0.000	0.000	0.000	0.000
856	A	891	GLU	-1	-0.926	-0.951	93.204	-0.014	-0.014	0.000	0.000	0.000	0.000
857	A	892	GLN	0	-0.058	-0.036	95.312	0.000	0.000	0.000	0.000	0.000	0.000
858	A	893	ILE	0	0.011	0.033	90.709	0.000	0.000	0.000	0.000	0.000	0.000
859	A	894	PRO	0	0.003	-0.012	92.223	0.000	0.000	0.000	0.000	0.000	0.000
860	A	895	SER	0	0.042	0.008	89.457	0.000	0.000	0.000	0.000	0.000	0.000
861	A	896	ARG	1	0.818	0.899	87.382	0.014	0.014	0.000	0.000	0.000	0.000
862	A	897	GLN	0	0.039	0.044	86.555	0.000	0.000	0.000	0.000	0.000	0.000
863	A	898	LYS	1	0.827	0.925	86.874	0.015	0.015	0.000	0.000	0.000	0.000
864	A	899	LYS	1	0.867	0.903	82.460	0.018	0.018	0.000	0.000	0.000	0.000
865	A	900	ILE	0	-0.030	-0.005	82.257	0.000	0.000	0.000	0.000	0.000	0.000
866	A	901	LEU	0	-0.005	0.004	82.405	0.000	0.000	0.000	0.000	0.000	0.000
867	A	902	GLU	-1	-0.758	-0.865	81.390	-0.019	-0.019	0.000	0.000	0.000	0.000
868	A	903	GLU	-1	-0.831	-0.894	76.429	-0.022	-0.022	0.000	0.000	0.000	0.000
869	A	904	ALA	0	0.016	-0.006	77.510	-0.001	-0.001	0.000	0.000	0.000	0.000
870	A	905	HIS	0	-0.018	-0.020	78.570	0.000	0.000	0.000	0.000	0.000	0.000
871	A	906	GLU	-1	-0.847	-0.907	74.910	-0.023	-0.023	0.000	0.000	0.000	0.000
872	A	907	LEU	0	-0.085	-0.034	73.921	-0.001	-0.001	0.000	0.000	0.000	0.000
873	A	908	SER	0	0.037	-0.008	73.038	0.000	0.000	0.000	0.000	0.000	0.000
874	A	909	GLU	-1	-0.932	-0.948	73.067	-0.025	-0.025	0.000	0.000	0.000	0.000
875	A	910	ASP	-1	-0.881	-0.950	67.630	-0.031	-0.031	0.000	0.000	0.000	0.000
876	A	911	HIS	0	-0.052	-0.034	67.680	0.000	0.000	0.000	0.000	0.000	0.000
877	A	912	TYR	0	0.038	0.026	68.833	0.000	0.000	0.000	0.000	0.000	0.000
878	A	913	LYS	1	0.861	0.948	64.912	0.032	0.032	0.000	0.000	0.000	0.000
879	A	914	LYS	1	0.769	0.868	67.657	0.023	0.023	0.000	0.000	0.000	0.000
880	A	915	TYR	0	0.070	0.031	70.095	0.001	0.001	0.000	0.000	0.000	0.000
881	A	916	LEU	0	0.000	0.005	63.823	0.000	0.000	0.000	0.000	0.000	0.000
882	A	917	ALA	0	-0.045	-0.030	65.372	0.000	0.000	0.000	0.000	0.000	0.000
883	A	918	LYS	1	0.865	0.927	66.399	0.021	0.021	0.000	0.000	0.000	0.000
884	A	919	LEU	0	0.021	0.025	67.790	0.001	0.001	0.000	0.000	0.000	0.000
885	A	920	ARG	1	0.932	0.962	58.515	0.032	0.032	0.000	0.000	0.000	0.000
886	A	921	SER	0	-0.097	-0.050	64.783	0.000	0.000	0.000	0.000	0.000	0.000
887	A	922	ILE	0	-0.030	-0.010	67.235	0.001	0.001	0.000	0.000	0.000	0.000
888	A	923	ASN	0	-0.013	-0.007	67.694	-0.001	-0.001	0.000	0.000	0.000	0.000
889	A	924	PRO	0	0.006	0.006	68.954	0.001	0.001	0.000	0.000	0.000	0.000
890	A	925	PRO	0	-0.020	0.003	71.926	0.000	0.000	0.000	0.000	0.000	0.000
891	A	926	CYS	0	-0.035	-0.023	72.146	0.000	0.000	0.000	0.000	0.000	0.000
892	A	927	VAL	0	-0.005	0.008	74.860	0.000	0.000	0.000	0.000	0.000	0.000
893	A	928	PRO	0	0.010	0.006	71.172	0.000	0.000	0.000	0.000	0.000	0.000
894	A	929	PHE	0	0.030	0.010	73.405	0.001	0.001	0.000	0.000	0.000	0.000
895	A	930	PHE	0	0.072	0.011	73.104	-0.001	-0.001	0.000	0.000	0.000	0.000
896	A	931	GLY	0	0.027	0.019	73.064	0.000	0.000	0.000	0.000	0.000	0.000
897	A	932	ILE	0	-0.013	0.003	68.071	-0.001	-0.001	0.000	0.000	0.000	0.000
898	A	933	TYR	0	0.022	0.006	67.177	-0.001	-0.001	0.000	0.000	0.000	0.000
899	A	934	LEU	0	0.024	0.019	68.769	-0.001	-0.001	0.000	0.000	0.000	0.000
900	A	935	THR	0	-0.012	-0.017	69.374	-0.001	-0.001	0.000	0.000	0.000	0.000
901	A	936	ASN	0	0.008	-0.001	64.909	-0.001	-0.001	0.000	0.000	0.000	0.000
902	A	937	ILE	0	0.034	0.029	65.437	-0.001	-0.001	0.000	0.000	0.000	0.000
903	A	938	LEU	0	0.024	0.021	66.641	-0.001	-0.001	0.000	0.000	0.000	0.000
904	A	939	LYS	1	0.922	0.960	64.475	0.030	0.030	0.000	0.000	0.000	0.000
905	A	940	THR	0	-0.067	-0.033	61.308	-0.002	-0.002	0.000	0.000	0.000	0.000
906	A	941	GLU	-1	-0.839	-0.924	62.891	-0.027	-0.027	0.000	0.000	0.000	0.000
907	A	942	GLU	-1	-0.892	-0.931	65.506	-0.028	-0.028	0.000	0.000	0.000	0.000
908	A	943	GLY	0	0.000	0.007	62.769	-0.001	-0.001	0.000	0.000	0.000	0.000
909	A	944	ASN	0	-0.060	-0.034	58.188	-0.002	-0.002	0.000	0.000	0.000	0.000
910	A	945	PRO	0	0.068	0.035	59.557	0.001	0.001	0.000	0.000	0.000	0.000
911	A	946	GLU	-1	-0.901	-0.959	61.320	-0.028	-0.028	0.000	0.000	0.000	0.000
912	A	947	VAL	0	0.014	0.025	61.541	0.000	0.000	0.000	0.000	0.000	0.000
913	A	948	LEU	0	-0.041	-0.024	55.237	-0.001	-0.001	0.000	0.000	0.000	0.000
914	A	949	LYS	1	0.881	0.925	58.797	0.032	0.032	0.000	0.000	0.000	0.000
915	A	950	ARG	1	0.912	0.951	51.590	0.043	0.043	0.000	0.000	0.000	0.000
916	A	951	HIS	0	0.022	0.006	51.069	0.003	0.003	0.000	0.000	0.000	0.000
917	A	952	GLY	0	-0.026	-0.004	56.530	0.001	0.001	0.000	0.000	0.000	0.000
918	A	953	LYS	1	0.823	0.906	58.383	0.033	0.033	0.000	0.000	0.000	0.000
919	A	954	GLU	-1	-0.856	-0.927	60.114	-0.030	-0.030	0.000	0.000	0.000	0.000
920	A	955	LEU	0	-0.052	0.008	56.417	0.001	0.001	0.000	0.000	0.000	0.000
921	A	956	ILE	0	0.066	0.026	59.780	-0.001	-0.001	0.000	0.000	0.000	0.000
922	A	957	ASN	0	0.008	-0.010	58.201	-0.001	-0.001	0.000	0.000	0.000	0.000
923	A	958	PHE	0	0.058	0.012	57.022	0.001	0.001	0.000	0.000	0.000	0.000
924	A	959	SER	0	0.011	-0.007	55.028	0.000	0.000	0.000	0.000	0.000	0.000
925	A	960	LYS	1	0.751	0.893	57.156	0.031	0.031	0.000	0.000	0.000	0.000
926	A	961	ARG	1	0.815	0.896	60.509	0.029	0.029	0.000	0.000	0.000	0.000
927	A	962	ARG	1	0.911	0.970	53.724	0.039	0.039	0.000	0.000	0.000	0.000
928	A	963	LYS	1	0.924	0.954	56.100	0.040	0.040	0.000	0.000	0.000	0.000
929	A	964	VAL	0	0.020	0.009	59.715	0.000	0.000	0.000	0.000	0.000	0.000
930	A	965	ALA	0	0.030	0.020	61.484	0.001	0.001	0.000	0.000	0.000	0.000
931	A	966	GLU	-1	-0.897	-0.944	57.445	-0.032	-0.032	0.000	0.000	0.000	0.000
932	A	967	ILE	0	-0.029	-0.003	60.835	0.001	0.001	0.000	0.000	0.000	0.000
933	A	968	THR	0	-0.056	-0.049	63.745	0.001	0.001	0.000	0.000	0.000	0.000
934	A	969	GLY	0	0.027	0.030	62.942	0.001	0.001	0.000	0.000	0.000	0.000
935	A	970	GLU	-1	-0.928	-0.968	62.798	-0.029	-0.029	0.000	0.000	0.000	0.000
936	A	971	ILE	0	-0.038	0.001	65.090	0.001	0.001	0.000	0.000	0.000	0.000
937	A	972	GLN	0	0.031	-0.008	65.762	0.001	0.001	0.000	0.000	0.000	0.000
938	A	973	GLN	0	-0.034	-0.004	63.845	0.000	0.000	0.000	0.000	0.000	0.000
939	A	974	TYR	0	-0.019	-0.026	65.992	0.001	0.001	0.000	0.000	0.000	0.000
940	A	975	GLN	0	-0.085	-0.047	70.113	0.000	0.000	0.000	0.000	0.000	0.000
941	A	976	ASN	0	-0.039	-0.014	67.425	0.001	0.001	0.000	0.000	0.000	0.000
942	A	977	GLN	0	-0.036	-0.016	71.459	0.001	0.001	0.000	0.000	0.000	0.000
943	A	978	PRO	0	0.039	0.016	73.955	0.000	0.000	0.000	0.000	0.000	0.000
944	A	979	TYR	0	0.015	-0.019	77.634	0.000	0.000	0.000	0.000	0.000	0.000
945	A	980	CYS	0	-0.021	0.015	79.826	0.001	0.001	0.000	0.000	0.000	0.000
946	A	981	LEU	0	0.006	-0.011	81.520	0.000	0.000	0.000	0.000	0.000	0.000
947	A	982	ARG	1	0.955	0.986	84.907	0.010	0.010	0.000	0.000	0.000	0.000
948	A	983	VAL	0	0.048	0.030	86.907	0.000	0.000	0.000	0.000	0.000	0.000
949	A	984	GLU	-1	-0.872	-0.932	89.254	-0.010	-0.010	0.000	0.000	0.000	0.000
950	A	985	SER	0	-0.007	-0.033	92.776	0.000	0.000	0.000	0.000	0.000	0.000
951	A	986	ASP	-1	-0.838	-0.904	94.403	-0.010	-0.010	0.000	0.000	0.000	0.000
952	A	987	ILE	0	-0.008	-0.008	92.540	0.000	0.000	0.000	0.000	0.000	0.000
953	A	988	LYS	1	0.909	0.945	87.219	0.012	0.012	0.000	0.000	0.000	0.000
954	A	989	ARG	1	0.860	0.923	91.833	0.010	0.010	0.000	0.000	0.000	0.000
955	A	990	PHE	0	-0.028	-0.015	94.392	0.000	0.000	0.000	0.000	0.000	0.000
956	A	991	PHE	0	0.024	-0.003	90.408	0.000	0.000	0.000	0.000	0.000	0.000
957	A	992	GLU	-1	-0.828	-0.899	88.553	-0.013	-0.013	0.000	0.000	0.000	0.000
958	A	993	ASN	0	-0.046	-0.012	91.467	0.000	0.000	0.000	0.000	0.000	0.000
959	A	994	LEU	0	-0.023	0.007	91.640	0.000	0.000	0.000	0.000	0.000	0.000
960	A	995	ASN	0	-0.005	-0.013	93.223	-0.001	-0.001	0.000	0.000	0.000	0.000
961	A	996	PRO	0	-0.044	-0.016	92.814	0.000	0.000	0.000	0.000	0.000	0.000
962	A	997	MET	0	0.023	0.019	91.473	0.000	0.000	0.000	0.000	0.000	0.000
963	A	998	GLY	0	0.026	0.025	97.175	0.000	0.000	0.000	0.000	0.000	0.000
964	A	999	ASN	0	-0.072	-0.044	99.037	0.000	0.000	0.000	0.000	0.000	0.000
965	A	1000	SER	0	-0.039	-0.018	98.872	0.000	0.000	0.000	0.000	0.000	0.000
966	A	1001	MET	0	-0.032	-0.030	94.510	0.000	0.000	0.000	0.000	0.000	0.000
967	A	1002	GLU	-1	-0.804	-0.920	89.195	-0.016	-0.016	0.000	0.000	0.000	0.000
968	A	1003	LYS	1	0.794	0.885	92.979	0.016	0.016	0.000	0.000	0.000	0.000
969	A	1004	GLU	-1	-0.810	-0.877	94.105	-0.013	-0.013	0.000	0.000	0.000	0.000
970	A	1005	PHE	0	0.070	0.020	94.492	0.000	0.000	0.000	0.000	0.000	0.000
971	A	1006	THR	0	0.004	-0.011	91.694	0.000	0.000	0.000	0.000	0.000	0.000
972	A	1007	ASP	-1	-0.846	-0.899	94.637	-0.015	-0.015	0.000	0.000	0.000	0.000
973	A	1008	TYR	0	-0.079	-0.045	97.334	0.000	0.000	0.000	0.000	0.000	0.000
974	A	1009	LEU	0	0.029	0.021	94.073	0.000	0.000	0.000	0.000	0.000	0.000
975	A	1010	PHE	0	-0.017	-0.015	94.258	0.000	0.000	0.000	0.000	0.000	0.000
976	A	1011	ASN	0	-0.069	-0.063	97.056	0.000	0.000	0.000	0.000	0.000	0.000
977	A	1012	LYS	1	0.878	0.914	100.587	0.012	0.012	0.000	0.000	0.000	0.000
978	A	1013	SER	0	-0.018	-0.010	96.289	0.000	0.000	0.000	0.000	0.000	0.000
979	A	1014	LEU	0	-0.096	-0.053	98.406	0.000	0.000	0.000	0.000	0.000	0.000
980	A	1015	GLU	-1	-0.900	-0.923	101.117	-0.012	-0.012	0.000	0.000	0.000	0.000
981	A	1016	ILE	0	-0.012	-0.010	99.304	0.000	0.000	0.000	0.000	0.000	0.000
982	A	1017	GLU	-1	-0.734	-0.836	98.830	-0.014	-0.014	0.000	0.000	0.000	0.000
983	A	1018	PRO	0	-0.006	0.020	100.855	0.000	0.000	0.000	0.000	0.000	0.000
984	A	1019	ARG	1	0.963	0.979	98.820	0.015	0.015	0.000	0.000	0.000	0.000
985	A	1020	ASN	0	0.088	0.034	100.086	0.000	0.000	0.000	0.000	0.000	0.000
986	A	1021	PRO	0	-0.044	-0.027	102.075	0.000	0.000	0.000	0.000	0.000	0.000
987	A	1022	LYS	1	0.903	0.959	105.137	0.013	0.013	0.000	0.000	0.000	0.000
988	A	1023	PRO	0	0.033	0.012	106.057	0.000	0.000	0.000	0.000	0.000	0.000
989	A	1024	LEU	0	0.044	0.037	102.868	0.000	0.000	0.000	0.000	0.000	0.000
990	A	1025	PRO	0	-0.017	0.001	106.694	0.000	0.000	0.000	0.000	0.000	0.000
991	A	1026	ARG	1	0.801	0.871	107.228	0.012	0.012	0.000	0.000	0.000	0.000
992	A	1027	PHE	0	0.047	0.033	106.361	0.000	0.000	0.000	0.000	0.000	0.000
993	A	1028	PRO	0	0.016	-0.002	109.391	0.000	0.000	0.000	0.000	0.000	0.000
994	A	1029	LYS	1	0.808	0.920	105.662	0.011	0.011	0.000	0.000	0.000	0.000
995	A	1030	LYS	1	0.862	0.917	102.678	0.012	0.012	0.000	0.000	0.000	0.000
996	A	1031	TYR	0	-0.017	-0.016	101.443	0.000	0.000	0.000	0.000	0.000	0.000
997	A	1032	SER	0	-0.021	-0.003	106.987	0.000	0.000	0.000	0.000	0.000	0.000
998	A	1033	TYR	0	-0.057	-0.053	102.699	0.000	0.000	0.000	0.000	0.000	0.000
999	A	1034	PRO	0	-0.036	-0.036	104.711	0.000	0.000	0.000	0.000	0.000	0.000
1000	A	1035	LEU	0	0.049	0.036	102.033	0.000	0.000	0.000	0.000	0.000	0.000
1001	A	1036	LYS	1	0.926	0.979	99.922	0.011	0.011	0.000	0.000	0.000	0.000
1002	A	1037	SER	0	0.028	-0.011	94.442	0.000	0.000	0.000	0.000	0.000	0.000
1003	A	1038	PRO	0	-0.026	-0.006	96.127	0.000	0.000	0.000	0.000	0.000	0.000
1004	A	1039	GLY	0	-0.031	-0.018	94.603	0.000	0.000	0.000	0.000	0.000	0.000
1005	A	1040	VAL	0	-0.024	-0.023	87.842	0.000	0.000	0.000	0.000	0.000	0.000
1006	A	1041	ARG	1	0.930	0.971	89.794	0.012	0.012	0.000	0.000	0.000	0.000
1007	A	1042	PRO	0	0.045	0.020	87.244	0.000	0.000	0.000	0.000	0.000	0.000
1008	A	1043	SER	0	-0.044	-0.030	90.538	0.000	0.000	0.000	0.000	0.000	0.000
1009	A	1044	ASN	0	-0.046	-0.024	91.230	0.000	0.000	0.000	0.000	0.000	0.000
1010	A	1045	PRO	0	0.006	0.018	90.034	0.000	0.000	0.000	0.000	0.000	0.000

Top

Graph

Manual

About

Interactive mode: IFIE and PIEDA for fragment #1(A:6:LEU)