FMO DATABASE

FMODB ID: K9513

Calculation Name: 1TR2-A-Xray372

Preferred Name: Vinculin

Target Type: SINGLE PROTEIN

Ligand Name:

ligand 3-letter code:

PDB ID: 1TR2

Chain ID: A

ChEMBL ID: CHEMBL4295723

UniProt ID: P18206

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	1028
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-29547397.958401
FMO2-HF: Nuclear repulsion	29147533.564847
FMO2-HF: Total energy	-399864.393554
FMO2-MP2: Total energy	-401014.196815

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:1:MET)

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

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.
-15.421	-8.977	17.441	-9.51	-14.378	-0.066

Interaction energy analysis for fragmet #1(A:1:MET)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.011 / q_NPA : 0.018

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	3	VAL	0	0.016	0.001	2.460	-2.057	1.291	3.234	-2.067	-4.516	-0.004
4	A	4	PHE	0	0.027	-0.024	3.614	-0.538	-0.278	0.016	-0.027	-0.250	0.000
5	A	5	HIS	0	0.043	0.040	6.201	0.330	0.330	0.000	0.000	0.000	0.000
6	A	6	THR	0	0.005	0.003	8.737	-0.060	-0.060	0.000	0.000	0.000	0.000
7	A	7	ARG	1	0.889	0.940	11.418	-0.178	-0.178	0.000	0.000	0.000	0.000
8	A	8	THR	0	0.020	-0.002	13.119	-0.060	-0.060	0.000	0.000	0.000	0.000
9	A	9	ILE	0	-0.008	0.011	7.171	-0.118	-0.118	0.000	0.000	0.000	0.000
10	A	10	GLU	-1	-0.777	-0.878	10.802	-0.247	-0.247	0.000	0.000	0.000	0.000
11	A	11	SER	0	-0.032	-0.024	11.646	-0.044	-0.044	0.000	0.000	0.000	0.000
12	A	12	ILE	0	-0.039	-0.009	13.229	0.020	0.020	0.000	0.000	0.000	0.000
13	A	13	LEU	0	0.001	-0.014	8.311	-0.035	-0.035	0.000	0.000	0.000	0.000
14	A	14	GLU	-1	-0.763	-0.854	11.745	-0.496	-0.496	0.000	0.000	0.000	0.000
15	A	15	PRO	0	0.002	0.009	14.387	0.006	0.006	0.000	0.000	0.000	0.000
16	A	16	VAL	0	-0.018	0.008	13.407	0.037	0.037	0.000	0.000	0.000	0.000
17	A	17	ALA	0	0.037	0.009	12.331	0.001	0.001	0.000	0.000	0.000	0.000
18	A	18	GLN	0	-0.005	0.007	14.320	0.056	0.056	0.000	0.000	0.000	0.000
19	A	19	GLN	0	0.009	-0.004	17.896	0.063	0.063	0.000	0.000	0.000	0.000
20	A	20	ILE	0	0.004	-0.006	13.360	0.043	0.043	0.000	0.000	0.000	0.000
21	A	21	SER	0	-0.044	-0.038	16.759	0.054	0.054	0.000	0.000	0.000	0.000
22	A	22	HIS	0	0.043	0.017	17.693	0.044	0.044	0.000	0.000	0.000	0.000
23	A	23	LEU	0	-0.009	-0.008	17.973	0.036	0.036	0.000	0.000	0.000	0.000
24	A	24	VAL	0	0.003	0.000	15.114	0.027	0.027	0.000	0.000	0.000	0.000
25	A	25	ILE	0	-0.025	-0.012	18.526	0.046	0.046	0.000	0.000	0.000	0.000
26	A	26	MET	0	0.012	0.009	21.762	0.038	0.038	0.000	0.000	0.000	0.000
27	A	27	HIS	1	0.830	0.916	19.765	0.432	0.432	0.000	0.000	0.000	0.000
28	A	28	GLU	-1	-0.766	-0.896	20.794	-0.258	-0.258	0.000	0.000	0.000	0.000
29	A	29	GLU	-1	-0.873	-0.927	22.536	-0.207	-0.207	0.000	0.000	0.000	0.000
30	A	30	GLY	0	-0.003	0.012	25.309	0.023	0.023	0.000	0.000	0.000	0.000
31	A	31	GLU	-1	-0.916	-0.932	20.718	-0.325	-0.325	0.000	0.000	0.000	0.000
32	A	32	VAL	0	-0.030	-0.031	24.362	0.018	0.018	0.000	0.000	0.000	0.000
33	A	33	ASP	-1	-0.790	-0.840	27.068	-0.183	-0.183	0.000	0.000	0.000	0.000
34	A	34	GLY	0	0.019	-0.005	29.859	0.015	0.015	0.000	0.000	0.000	0.000
35	A	35	LYS	1	0.726	0.849	29.277	0.199	0.199	0.000	0.000	0.000	0.000
36	A	36	ALA	0	-0.009	-0.002	29.158	-0.011	-0.011	0.000	0.000	0.000	0.000
37	A	37	ILE	0	-0.012	0.002	24.625	0.001	0.001	0.000	0.000	0.000	0.000
38	A	38	PRO	0	0.013	0.014	27.518	0.012	0.012	0.000	0.000	0.000	0.000
39	A	39	ASP	-1	-0.846	-0.926	28.707	-0.232	-0.232	0.000	0.000	0.000	0.000
40	A	40	LEU	0	-0.005	-0.012	23.439	-0.007	-0.007	0.000	0.000	0.000	0.000
41	A	41	THR	0	0.003	-0.013	26.047	-0.026	-0.026	0.000	0.000	0.000	0.000
42	A	42	ALA	0	0.008	0.007	27.308	-0.013	-0.013	0.000	0.000	0.000	0.000
43	A	43	PRO	0	0.006	-0.006	24.015	-0.017	-0.017	0.000	0.000	0.000	0.000
44	A	44	VAL	0	0.019	0.008	21.572	-0.043	-0.043	0.000	0.000	0.000	0.000
45	A	45	ALA	0	0.021	0.016	22.457	-0.032	-0.032	0.000	0.000	0.000	0.000
46	A	46	ALA	0	-0.038	-0.007	23.333	-0.009	-0.009	0.000	0.000	0.000	0.000
47	A	47	VAL	0	0.044	0.016	18.039	-0.023	-0.023	0.000	0.000	0.000	0.000
48	A	48	GLN	0	-0.003	0.004	19.153	-0.032	-0.032	0.000	0.000	0.000	0.000
49	A	49	ALA	0	0.007	0.000	21.208	-0.008	-0.008	0.000	0.000	0.000	0.000
50	A	50	ALA	0	-0.002	0.007	18.597	0.012	0.012	0.000	0.000	0.000	0.000
51	A	51	VAL	0	0.027	-0.003	15.381	-0.015	-0.015	0.000	0.000	0.000	0.000
52	A	52	SER	0	-0.038	-0.003	17.885	0.017	0.017	0.000	0.000	0.000	0.000
53	A	53	ASN	0	-0.004	-0.014	21.160	0.045	0.045	0.000	0.000	0.000	0.000
54	A	54	LEU	0	0.031	0.026	13.357	0.017	0.017	0.000	0.000	0.000	0.000
55	A	55	VAL	0	0.011	-0.004	16.560	-0.001	-0.001	0.000	0.000	0.000	0.000
56	A	56	ARG	1	0.873	0.952	18.305	0.385	0.385	0.000	0.000	0.000	0.000
57	A	57	VAL	0	0.068	0.036	17.976	0.018	0.018	0.000	0.000	0.000	0.000
58	A	58	GLY	0	0.001	0.007	17.117	0.019	0.019	0.000	0.000	0.000	0.000
59	A	59	LYS	1	0.782	0.858	17.833	0.510	0.510	0.000	0.000	0.000	0.000
60	A	60	GLU	-1	-0.879	-0.947	20.804	-0.278	-0.278	0.000	0.000	0.000	0.000
61	A	61	THR	0	-0.008	-0.004	17.546	0.038	0.038	0.000	0.000	0.000	0.000
62	A	62	VAL	0	-0.017	-0.020	17.595	0.025	0.025	0.000	0.000	0.000	0.000
63	A	63	GLN	0	-0.033	-0.007	20.101	0.041	0.041	0.000	0.000	0.000	0.000
64	A	64	THR	0	-0.055	-0.032	23.693	0.025	0.025	0.000	0.000	0.000	0.000
65	A	65	THR	0	-0.018	-0.007	19.458	0.018	0.018	0.000	0.000	0.000	0.000
66	A	66	GLU	-1	-0.860	-0.937	22.183	-0.106	-0.106	0.000	0.000	0.000	0.000
67	A	67	ASP	-1	-0.834	-0.906	16.044	-0.141	-0.141	0.000	0.000	0.000	0.000
68	A	68	GLN	0	0.061	0.018	18.352	-0.029	-0.029	0.000	0.000	0.000	0.000
69	A	69	ILE	0	-0.010	0.004	12.938	-0.024	-0.024	0.000	0.000	0.000	0.000
70	A	70	LEU	0	0.009	0.001	14.205	-0.055	-0.055	0.000	0.000	0.000	0.000
71	A	71	LYS	1	0.836	0.923	15.244	0.145	0.145	0.000	0.000	0.000	0.000
72	A	72	ARG	1	0.751	0.851	12.214	0.157	0.157	0.000	0.000	0.000	0.000
73	A	73	ASP	-1	-0.782	-0.856	11.305	-0.411	-0.411	0.000	0.000	0.000	0.000
74	A	74	MET	0	0.001	0.017	12.393	-0.110	-0.110	0.000	0.000	0.000	0.000
75	A	75	PRO	0	0.001	0.001	13.922	-0.077	-0.077	0.000	0.000	0.000	0.000
76	A	76	PRO	0	-0.055	-0.040	12.238	-0.005	-0.005	0.000	0.000	0.000	0.000
77	A	77	ALA	0	0.051	0.038	10.889	-0.066	-0.066	0.000	0.000	0.000	0.000
78	A	78	PHE	0	0.003	0.001	11.946	-0.054	-0.054	0.000	0.000	0.000	0.000
79	A	79	ILE	0	0.017	0.013	14.824	-0.017	-0.017	0.000	0.000	0.000	0.000
80	A	80	LYS	1	0.802	0.891	6.083	2.750	2.750	0.000	0.000	0.000	0.000
81	A	81	VAL	0	0.034	0.021	11.906	-0.001	-0.001	0.000	0.000	0.000	0.000
82	A	82	GLU	-1	-0.790	-0.879	13.944	-0.450	-0.450	0.000	0.000	0.000	0.000
83	A	83	ASN	0	0.015	0.014	15.394	0.101	0.101	0.000	0.000	0.000	0.000
84	A	84	ALA	0	-0.019	0.008	13.348	0.043	0.043	0.000	0.000	0.000	0.000
85	A	85	CYS	0	-0.062	-0.033	15.496	0.075	0.075	0.000	0.000	0.000	0.000
86	A	86	THR	0	0.013	-0.009	18.355	0.056	0.056	0.000	0.000	0.000	0.000
87	A	87	LYS	1	0.780	0.892	16.036	0.653	0.653	0.000	0.000	0.000	0.000
88	A	88	LEU	0	0.016	0.002	16.898	0.038	0.038	0.000	0.000	0.000	0.000
89	A	89	VAL	0	-0.001	0.004	20.300	0.044	0.044	0.000	0.000	0.000	0.000
90	A	90	GLN	0	-0.031	-0.036	23.462	0.014	0.014	0.000	0.000	0.000	0.000
91	A	91	ALA	0	0.011	0.009	21.647	0.028	0.028	0.000	0.000	0.000	0.000
92	A	92	ALA	0	0.004	0.000	23.768	0.028	0.028	0.000	0.000	0.000	0.000
93	A	93	GLN	0	0.017	0.017	25.813	0.021	0.021	0.000	0.000	0.000	0.000
94	A	94	MET	0	-0.026	-0.001	26.676	0.018	0.018	0.000	0.000	0.000	0.000
95	A	95	LEU	0	-0.009	-0.006	24.950	0.017	0.017	0.000	0.000	0.000	0.000
96	A	96	GLN	0	-0.046	-0.020	28.397	0.004	0.004	0.000	0.000	0.000	0.000
97	A	97	SER	0	-0.076	-0.034	31.302	0.018	0.018	0.000	0.000	0.000	0.000
98	A	98	ASP	-1	-0.860	-0.953	31.648	-0.178	-0.178	0.000	0.000	0.000	0.000
99	A	99	PRO	0	0.035	0.031	29.608	-0.013	-0.013	0.000	0.000	0.000	0.000
100	A	100	TYR	0	-0.020	-0.026	28.985	-0.013	-0.013	0.000	0.000	0.000	0.000
101	A	101	SER	0	0.013	0.022	28.367	-0.004	-0.004	0.000	0.000	0.000	0.000
102	A	102	VAL	0	0.009	-0.007	25.020	-0.023	-0.023	0.000	0.000	0.000	0.000
103	A	103	PRO	0	0.016	0.000	24.286	-0.024	-0.024	0.000	0.000	0.000	0.000
104	A	104	ALA	0	0.030	0.027	23.145	-0.032	-0.032	0.000	0.000	0.000	0.000
105	A	105	ARG	1	0.852	0.907	22.601	0.216	0.216	0.000	0.000	0.000	0.000
106	A	106	ASP	-1	-0.844	-0.917	19.275	-0.415	-0.415	0.000	0.000	0.000	0.000
107	A	107	TYR	0	-0.045	-0.028	18.508	-0.046	-0.046	0.000	0.000	0.000	0.000
108	A	108	LEU	0	0.053	0.040	18.098	-0.068	-0.068	0.000	0.000	0.000	0.000
109	A	109	ILE	0	0.063	0.052	14.660	-0.087	-0.087	0.000	0.000	0.000	0.000
110	A	110	ASP	-1	-0.815	-0.903	13.084	-0.797	-0.797	0.000	0.000	0.000	0.000
111	A	111	GLY	0	-0.056	-0.025	14.232	0.008	0.008	0.000	0.000	0.000	0.000
112	A	112	SER	0	-0.031	-0.037	13.763	-0.084	-0.084	0.000	0.000	0.000	0.000
113	A	113	ARG	1	0.875	0.924	5.324	2.088	2.088	0.000	0.000	0.000	0.000
114	A	114	GLY	0	-0.003	0.005	8.983	-0.387	-0.387	0.000	0.000	0.000	0.000
115	A	115	ILE	0	0.018	0.009	10.224	-0.174	-0.174	0.000	0.000	0.000	0.000
116	A	116	LEU	0	0.012	0.024	8.435	-0.081	-0.081	0.000	0.000	0.000	0.000
117	A	117	SER	0	0.042	0.013	4.475	0.063	0.091	-0.001	-0.008	-0.019	0.000
118	A	118	GLY	0	0.003	0.011	6.229	-0.160	-0.160	0.000	0.000	0.000	0.000
119	A	119	THR	0	-0.035	-0.049	8.948	0.099	0.099	0.000	0.000	0.000	0.000
120	A	120	SER	0	0.012	0.016	4.318	0.837	0.954	-0.001	-0.045	-0.071	0.000
121	A	121	ASP	-1	-0.781	-0.875	4.892	-3.889	-3.843	-0.001	-0.011	-0.034	0.000
122	A	122	LEU	0	-0.021	-0.012	6.888	0.513	0.513	0.000	0.000	0.000	0.000
123	A	123	LEU	0	-0.021	-0.005	9.073	0.229	0.229	0.000	0.000	0.000	0.000
124	A	124	LEU	0	0.047	0.027	2.905	-0.153	0.292	0.117	-0.083	-0.479	0.000
125	A	125	THR	0	-0.023	-0.024	6.973	0.351	0.351	0.000	0.000	0.000	0.000
126	A	126	PHE	0	-0.003	-0.009	9.589	0.196	0.196	0.000	0.000	0.000	0.000
127	A	127	ASP	-1	-0.765	-0.836	8.619	0.033	0.033	0.000	0.000	0.000	0.000
128	A	128	GLU	-1	-0.839	-0.918	7.088	-0.415	-0.415	0.000	0.000	0.000	0.000
129	A	129	ALA	0	-0.015	-0.007	9.897	0.121	0.121	0.000	0.000	0.000	0.000
130	A	130	GLU	-1	-0.910	-0.931	13.175	-0.046	-0.046	0.000	0.000	0.000	0.000
131	A	131	VAL	0	0.064	0.028	10.306	0.044	0.044	0.000	0.000	0.000	0.000
132	A	132	ARG	1	0.841	0.894	10.949	0.288	0.288	0.000	0.000	0.000	0.000
133	A	133	LYS	1	0.800	0.906	14.938	0.157	0.157	0.000	0.000	0.000	0.000
134	A	134	ILE	0	0.046	0.024	15.373	0.013	0.013	0.000	0.000	0.000	0.000
135	A	135	ILE	0	0.066	0.034	13.022	0.010	0.010	0.000	0.000	0.000	0.000
136	A	136	ARG	1	0.817	0.900	17.333	0.043	0.043	0.000	0.000	0.000	0.000
137	A	137	VAL	0	-0.002	-0.003	20.182	0.001	0.001	0.000	0.000	0.000	0.000
138	A	138	CYS	0	-0.026	-0.011	19.579	0.007	0.007	0.000	0.000	0.000	0.000
139	A	139	LYS	1	0.846	0.897	16.747	-0.186	-0.186	0.000	0.000	0.000	0.000
140	A	140	GLY	0	0.008	0.019	22.423	-0.003	-0.003	0.000	0.000	0.000	0.000
141	A	141	ILE	0	-0.043	-0.028	25.083	-0.005	-0.005	0.000	0.000	0.000	0.000
142	A	142	LEU	0	-0.019	-0.005	22.196	0.000	0.000	0.000	0.000	0.000	0.000
143	A	143	GLU	-1	-0.852	-0.897	26.215	0.110	0.110	0.000	0.000	0.000	0.000
144	A	144	TYR	0	-0.008	-0.012	28.506	-0.009	-0.009	0.000	0.000	0.000	0.000
145	A	145	LEU	0	-0.015	0.005	27.758	-0.005	-0.005	0.000	0.000	0.000	0.000
146	A	146	THR	0	0.003	-0.015	29.962	0.003	0.003	0.000	0.000	0.000	0.000
147	A	147	VAL	0	-0.037	-0.019	32.165	-0.005	-0.005	0.000	0.000	0.000	0.000
148	A	148	ALA	0	-0.016	0.002	34.422	-0.005	-0.005	0.000	0.000	0.000	0.000
149	A	149	GLU	-1	-0.890	-0.950	36.283	0.100	0.100	0.000	0.000	0.000	0.000
150	A	150	VAL	0	-0.038	-0.004	37.762	-0.004	-0.004	0.000	0.000	0.000	0.000
151	A	151	VAL	0	-0.014	0.001	39.192	-0.006	-0.006	0.000	0.000	0.000	0.000
152	A	152	GLU	-1	-0.874	-0.945	41.857	0.064	0.064	0.000	0.000	0.000	0.000
153	A	153	THR	0	-0.043	-0.038	45.567	-0.002	-0.002	0.000	0.000	0.000	0.000
154	A	154	MET	0	0.011	-0.005	45.830	0.002	0.002	0.000	0.000	0.000	0.000
155	A	155	GLU	-1	-0.781	-0.879	45.148	0.036	0.036	0.000	0.000	0.000	0.000
156	A	156	ASP	-1	-0.773	-0.863	42.811	0.048	0.048	0.000	0.000	0.000	0.000
157	A	157	LEU	0	0.017	0.013	41.571	0.002	0.002	0.000	0.000	0.000	0.000
158	A	158	VAL	0	-0.013	0.002	41.278	0.002	0.002	0.000	0.000	0.000	0.000
159	A	159	THR	0	0.008	-0.031	39.972	-0.002	-0.002	0.000	0.000	0.000	0.000
160	A	160	TYR	0	-0.058	-0.051	33.377	0.000	0.000	0.000	0.000	0.000	0.000
161	A	161	THR	0	-0.032	-0.038	36.773	0.003	0.003	0.000	0.000	0.000	0.000
162	A	162	LYS	1	0.765	0.882	37.337	-0.034	-0.034	0.000	0.000	0.000	0.000
163	A	163	ASN	0	-0.012	-0.002	34.582	-0.006	-0.006	0.000	0.000	0.000	0.000
164	A	164	LEU	0	0.021	0.015	30.648	0.000	0.000	0.000	0.000	0.000	0.000
165	A	165	GLY	0	0.039	0.028	31.800	0.004	0.004	0.000	0.000	0.000	0.000
166	A	166	PRO	0	0.012	0.015	32.228	0.003	0.003	0.000	0.000	0.000	0.000
167	A	167	GLY	0	0.014	0.011	28.951	-0.002	-0.002	0.000	0.000	0.000	0.000
168	A	168	MET	0	0.028	0.003	27.509	0.007	0.007	0.000	0.000	0.000	0.000
169	A	169	THR	0	-0.027	-0.014	27.636	0.006	0.006	0.000	0.000	0.000	0.000
170	A	170	LYS	1	0.850	0.918	24.517	-0.019	-0.019	0.000	0.000	0.000	0.000
171	A	171	MET	0	-0.009	-0.007	21.365	-0.006	-0.006	0.000	0.000	0.000	0.000
172	A	172	ALA	0	0.044	0.007	23.112	0.008	0.008	0.000	0.000	0.000	0.000
173	A	173	LYS	1	0.795	0.880	24.074	0.007	0.007	0.000	0.000	0.000	0.000
174	A	174	MET	0	0.008	0.011	20.336	-0.007	-0.007	0.000	0.000	0.000	0.000
175	A	175	ILE	0	-0.006	0.000	18.661	0.005	0.005	0.000	0.000	0.000	0.000
176	A	176	ASP	-1	-0.842	-0.912	19.495	0.114	0.114	0.000	0.000	0.000	0.000
177	A	177	GLU	-1	-0.798	-0.885	20.896	0.002	0.002	0.000	0.000	0.000	0.000
178	A	178	ARG	1	0.789	0.862	10.219	-0.068	-0.068	0.000	0.000	0.000	0.000
179	A	179	GLN	0	-0.020	-0.021	16.179	0.037	0.037	0.000	0.000	0.000	0.000
180	A	180	GLN	0	-0.063	-0.038	17.611	0.000	0.000	0.000	0.000	0.000	0.000
181	A	181	GLU	-1	-0.864	-0.923	15.418	-0.087	-0.087	0.000	0.000	0.000	0.000
182	A	182	LEU	0	-0.038	-0.019	12.021	-0.012	-0.012	0.000	0.000	0.000	0.000
183	A	183	THR	0	-0.083	-0.054	10.423	0.038	0.038	0.000	0.000	0.000	0.000
184	A	184	HIS	0	-0.045	-0.024	8.690	0.405	0.405	0.000	0.000	0.000	0.000
185	A	185	GLN	0	0.059	0.012	13.365	0.002	0.002	0.000	0.000	0.000	0.000
186	A	186	GLU	-1	-0.940	-0.964	15.135	0.490	0.490	0.000	0.000	0.000	0.000
187	A	187	HIS	0	0.020	0.000	9.760	-0.229	-0.229	0.000	0.000	0.000	0.000
188	A	188	ARG	1	0.835	0.925	15.194	-0.258	-0.258	0.000	0.000	0.000	0.000
189	A	189	VAL	0	-0.002	0.004	17.689	-0.041	-0.041	0.000	0.000	0.000	0.000
190	A	190	MET	0	-0.051	-0.026	17.380	-0.003	-0.003	0.000	0.000	0.000	0.000
191	A	191	LEU	0	0.012	0.009	14.944	-0.037	-0.037	0.000	0.000	0.000	0.000
192	A	192	VAL	0	0.010	0.000	19.164	-0.035	-0.035	0.000	0.000	0.000	0.000
193	A	193	ASN	0	-0.046	-0.026	22.490	-0.042	-0.042	0.000	0.000	0.000	0.000
194	A	194	SER	0	0.027	-0.003	21.426	-0.011	-0.011	0.000	0.000	0.000	0.000
195	A	195	MET	0	-0.014	0.004	22.685	-0.021	-0.021	0.000	0.000	0.000	0.000
196	A	196	ASN	0	-0.020	-0.008	24.432	-0.035	-0.035	0.000	0.000	0.000	0.000
197	A	197	THR	0	-0.010	-0.014	26.587	-0.019	-0.019	0.000	0.000	0.000	0.000
198	A	198	VAL	0	-0.019	-0.022	24.728	-0.013	-0.013	0.000	0.000	0.000	0.000
199	A	199	LYS	1	0.800	0.900	27.915	-0.137	-0.137	0.000	0.000	0.000	0.000
200	A	200	GLU	-1	-0.822	-0.921	30.299	0.115	0.115	0.000	0.000	0.000	0.000
201	A	201	LEU	0	0.007	0.005	30.162	-0.006	-0.006	0.000	0.000	0.000	0.000
202	A	202	LEU	0	0.038	0.023	32.337	-0.005	-0.005	0.000	0.000	0.000	0.000
203	A	203	PRO	0	-0.023	-0.022	34.037	-0.006	-0.006	0.000	0.000	0.000	0.000
204	A	204	VAL	0	0.018	0.020	36.269	-0.005	-0.005	0.000	0.000	0.000	0.000
205	A	205	LEU	0	0.016	0.019	33.873	-0.003	-0.003	0.000	0.000	0.000	0.000
206	A	206	ILE	0	0.022	-0.003	36.462	-0.005	-0.005	0.000	0.000	0.000	0.000
207	A	207	SER	0	-0.027	-0.027	39.466	-0.007	-0.007	0.000	0.000	0.000	0.000
208	A	208	ALA	0	0.014	0.004	39.721	-0.003	-0.003	0.000	0.000	0.000	0.000
209	A	209	MET	0	-0.037	-0.020	38.447	-0.002	-0.002	0.000	0.000	0.000	0.000
210	A	210	LYS	1	0.958	0.986	42.018	-0.062	-0.062	0.000	0.000	0.000	0.000
211	A	211	ILE	0	0.014	0.029	44.622	-0.003	-0.003	0.000	0.000	0.000	0.000
212	A	212	PHE	0	0.008	0.003	44.030	-0.002	-0.002	0.000	0.000	0.000	0.000
213	A	213	VAL	0	-0.018	-0.015	44.971	-0.003	-0.003	0.000	0.000	0.000	0.000
214	A	214	THR	0	-0.054	-0.012	47.539	-0.004	-0.004	0.000	0.000	0.000	0.000
215	A	215	THR	0	-0.018	-0.026	49.611	-0.002	-0.002	0.000	0.000	0.000	0.000
216	A	216	LYS	1	0.841	0.914	47.539	-0.059	-0.059	0.000	0.000	0.000	0.000
217	A	217	ASN	0	-0.053	-0.032	49.325	-0.002	-0.002	0.000	0.000	0.000	0.000
218	A	218	SER	0	-0.023	-0.003	52.302	-0.003	-0.003	0.000	0.000	0.000	0.000
219	A	219	LYS	1	0.830	0.925	53.454	-0.049	-0.049	0.000	0.000	0.000	0.000
220	A	220	ASN	0	-0.002	0.004	53.896	0.001	0.001	0.000	0.000	0.000	0.000
221	A	221	GLN	0	-0.015	-0.019	53.214	0.001	0.001	0.000	0.000	0.000	0.000
222	A	222	GLY	0	0.050	0.008	50.716	-0.001	-0.001	0.000	0.000	0.000	0.000
223	A	223	ILE	0	-0.001	0.009	46.981	0.003	0.003	0.000	0.000	0.000	0.000
224	A	224	GLU	-1	-0.786	-0.892	46.353	0.075	0.075	0.000	0.000	0.000	0.000
225	A	225	GLU	-1	-0.836	-0.907	45.080	0.098	0.098	0.000	0.000	0.000	0.000
226	A	226	ALA	0	0.000	0.000	43.847	0.004	0.004	0.000	0.000	0.000	0.000
227	A	227	LEU	0	-0.010	-0.005	40.739	0.003	0.003	0.000	0.000	0.000	0.000
228	A	228	LYS	1	0.847	0.919	40.588	-0.094	-0.094	0.000	0.000	0.000	0.000
229	A	229	ASN	0	0.072	0.054	39.139	0.007	0.007	0.000	0.000	0.000	0.000
230	A	230	ARG	1	0.850	0.951	37.972	-0.082	-0.082	0.000	0.000	0.000	0.000
231	A	231	ASN	0	0.029	0.000	36.343	-0.002	-0.002	0.000	0.000	0.000	0.000
232	A	232	PHE	0	0.051	0.032	34.563	0.010	0.010	0.000	0.000	0.000	0.000
233	A	233	THR	0	0.019	-0.013	33.449	0.012	0.012	0.000	0.000	0.000	0.000
234	A	234	VAL	0	0.026	0.021	31.624	0.007	0.007	0.000	0.000	0.000	0.000
235	A	235	GLU	-1	-0.868	-0.897	30.195	0.183	0.183	0.000	0.000	0.000	0.000
236	A	236	LYS	1	0.732	0.857	28.667	-0.157	-0.157	0.000	0.000	0.000	0.000
237	A	237	MET	0	0.017	0.014	27.475	0.013	0.013	0.000	0.000	0.000	0.000
238	A	238	SER	0	0.008	-0.012	25.975	0.008	0.008	0.000	0.000	0.000	0.000
239	A	239	ALA	0	-0.028	-0.004	24.253	0.018	0.018	0.000	0.000	0.000	0.000
240	A	240	GLU	-1	-0.783	-0.862	22.640	0.300	0.300	0.000	0.000	0.000	0.000
241	A	241	ILE	0	0.004	-0.003	21.589	0.020	0.020	0.000	0.000	0.000	0.000
242	A	242	ASN	0	-0.082	-0.050	19.719	0.020	0.020	0.000	0.000	0.000	0.000
243	A	243	GLU	-1	-0.787	-0.874	18.002	0.563	0.563	0.000	0.000	0.000	0.000
244	A	244	ILE	0	-0.009	-0.011	16.941	0.050	0.050	0.000	0.000	0.000	0.000
245	A	245	ILE	0	-0.042	-0.031	15.722	0.019	0.019	0.000	0.000	0.000	0.000
246	A	246	ARG	1	0.803	0.885	13.554	-0.756	-0.756	0.000	0.000	0.000	0.000
247	A	247	VAL	0	-0.006	-0.009	12.127	0.101	0.101	0.000	0.000	0.000	0.000
248	A	248	LEU	0	-0.030	-0.021	11.906	0.055	0.055	0.000	0.000	0.000	0.000
249	A	249	GLN	0	-0.051	-0.023	9.199	-0.016	-0.016	0.000	0.000	0.000	0.000
250	A	250	LEU	0	-0.069	-0.011	7.324	0.118	0.118	0.000	0.000	0.000	0.000
251	A	251	THR	0	0.005	-0.001	2.714	-3.258	-1.877	0.405	-0.707	-1.079	-0.001
252	A	252	SER	0	0.022	0.006	4.004	0.420	1.032	0.048	-0.172	-0.488	0.001
253	A	253	TRP	0	0.002	-0.015	6.062	-0.774	-0.764	-0.001	-0.007	-0.002	0.000
254	A	254	ASP	-1	-0.784	-0.903	8.664	1.373	1.373	0.000	0.000	0.000	0.000
255	A	255	GLU	-1	-0.822	-0.893	8.890	2.035	2.035	0.000	0.000	0.000	0.000
256	A	256	ASP	-1	-0.793	-0.886	11.481	0.573	0.573	0.000	0.000	0.000	0.000
257	A	257	ALA	0	0.013	0.032	15.007	-0.101	-0.101	0.000	0.000	0.000	0.000
258	A	258	TRP	0	-0.047	-0.037	16.617	-0.116	-0.116	0.000	0.000	0.000	0.000
259	A	259	ALA	0	0.054	0.056	18.449	-0.059	-0.059	0.000	0.000	0.000	0.000
260	A	260	SER	0	0.002	0.004	20.151	-0.046	-0.046	0.000	0.000	0.000	0.000
261	A	261	LYS	1	0.909	0.947	20.156	-0.518	-0.518	0.000	0.000	0.000	0.000
262	A	262	ASP	-1	-0.728	-0.858	22.564	0.422	0.422	0.000	0.000	0.000	0.000
263	A	263	THR	0	-0.013	-0.021	23.969	-0.036	-0.036	0.000	0.000	0.000	0.000
264	A	264	GLU	-1	-0.819	-0.882	26.264	0.227	0.227	0.000	0.000	0.000	0.000
265	A	265	ALA	0	0.012	0.011	27.770	-0.024	-0.024	0.000	0.000	0.000	0.000
266	A	266	MET	0	-0.032	-0.007	27.912	-0.020	-0.020	0.000	0.000	0.000	0.000
267	A	267	LYS	1	0.853	0.915	28.942	-0.268	-0.268	0.000	0.000	0.000	0.000
268	A	268	ARG	1	0.837	0.894	30.030	-0.241	-0.241	0.000	0.000	0.000	0.000
269	A	269	ALA	0	0.015	0.018	33.597	-0.014	-0.014	0.000	0.000	0.000	0.000
270	A	270	LEU	0	-0.017	-0.023	34.265	-0.012	-0.012	0.000	0.000	0.000	0.000
271	A	271	ALA	0	0.026	0.016	36.571	-0.011	-0.011	0.000	0.000	0.000	0.000
272	A	272	SER	0	-0.040	-0.027	38.031	-0.014	-0.014	0.000	0.000	0.000	0.000
273	A	273	ILE	0	-0.009	-0.008	38.396	-0.009	-0.009	0.000	0.000	0.000	0.000
274	A	274	ASP	-1	-0.904	-0.952	41.006	0.123	0.123	0.000	0.000	0.000	0.000
275	A	275	SER	0	-0.004	-0.010	42.486	-0.005	-0.005	0.000	0.000	0.000	0.000
276	A	276	LYS	1	0.807	0.895	41.759	-0.141	-0.141	0.000	0.000	0.000	0.000
277	A	277	LEU	0	0.012	0.016	44.115	-0.006	-0.006	0.000	0.000	0.000	0.000
278	A	278	ASN	0	0.000	-0.013	47.076	-0.006	-0.006	0.000	0.000	0.000	0.000
279	A	279	GLN	0	-0.002	0.011	49.508	-0.002	-0.002	0.000	0.000	0.000	0.000
280	A	280	ALA	0	0.024	0.014	48.401	-0.004	-0.004	0.000	0.000	0.000	0.000
281	A	281	LYS	1	0.763	0.862	48.519	-0.112	-0.112	0.000	0.000	0.000	0.000
282	A	282	GLY	0	0.012	0.002	52.435	-0.003	-0.003	0.000	0.000	0.000	0.000
283	A	283	TRP	0	0.010	-0.004	53.841	-0.002	-0.002	0.000	0.000	0.000	0.000
284	A	284	LEU	0	-0.034	-0.015	51.251	-0.003	-0.003	0.000	0.000	0.000	0.000
285	A	285	ARG	1	0.882	0.945	53.399	-0.090	-0.090	0.000	0.000	0.000	0.000
286	A	286	ASP	-1	-0.759	-0.852	58.292	0.064	0.064	0.000	0.000	0.000	0.000
287	A	287	PRO	0	-0.061	-0.031	60.232	0.002	0.002	0.000	0.000	0.000	0.000
288	A	288	SER	0	-0.068	-0.066	62.633	-0.002	-0.002	0.000	0.000	0.000	0.000
289	A	289	ALA	0	-0.023	0.015	58.162	-0.001	-0.001	0.000	0.000	0.000	0.000
290	A	290	SER	0	0.046	0.020	58.878	0.000	0.000	0.000	0.000	0.000	0.000
291	A	291	PRO	0	0.000	-0.005	56.896	0.004	0.004	0.000	0.000	0.000	0.000
292	A	292	GLY	0	0.007	0.006	53.995	0.000	0.000	0.000	0.000	0.000	0.000
293	A	293	ASP	-1	-0.825	-0.904	53.912	0.082	0.082	0.000	0.000	0.000	0.000
294	A	294	ALA	0	0.042	0.004	51.607	0.003	0.003	0.000	0.000	0.000	0.000
295	A	295	GLY	0	0.016	0.009	50.765	0.004	0.004	0.000	0.000	0.000	0.000
296	A	296	GLU	-1	-0.839	-0.888	51.320	0.098	0.098	0.000	0.000	0.000	0.000
297	A	297	GLN	0	0.018	-0.013	48.357	0.007	0.007	0.000	0.000	0.000	0.000
298	A	298	ALA	0	-0.012	0.004	46.955	0.006	0.006	0.000	0.000	0.000	0.000
299	A	299	ILE	0	-0.024	-0.007	46.070	0.006	0.006	0.000	0.000	0.000	0.000
300	A	300	ARG	1	0.712	0.809	45.532	-0.095	-0.095	0.000	0.000	0.000	0.000
301	A	301	GLN	0	-0.023	-0.035	39.528	0.003	0.003	0.000	0.000	0.000	0.000
302	A	302	ILE	0	0.003	0.012	41.228	0.009	0.009	0.000	0.000	0.000	0.000
303	A	303	LEU	0	-0.012	-0.014	40.721	0.009	0.009	0.000	0.000	0.000	0.000
304	A	304	ASP	-1	-0.745	-0.850	37.932	0.177	0.177	0.000	0.000	0.000	0.000
305	A	305	GLU	-1	-0.791	-0.847	36.559	0.189	0.189	0.000	0.000	0.000	0.000
306	A	306	ALA	0	-0.001	-0.007	35.733	0.013	0.013	0.000	0.000	0.000	0.000
307	A	307	GLY	0	0.031	0.005	35.789	0.010	0.010	0.000	0.000	0.000	0.000
308	A	308	LYS	1	0.772	0.880	32.284	-0.170	-0.170	0.000	0.000	0.000	0.000
309	A	309	VAL	0	0.006	0.003	31.255	0.019	0.019	0.000	0.000	0.000	0.000
310	A	310	GLY	0	0.028	0.006	31.210	0.015	0.015	0.000	0.000	0.000	0.000
311	A	311	GLU	-1	-0.765	-0.843	29.689	0.255	0.255	0.000	0.000	0.000	0.000
312	A	312	LEU	0	-0.009	-0.003	25.688	0.021	0.021	0.000	0.000	0.000	0.000
313	A	313	CYS	0	-0.053	-0.013	26.745	0.022	0.022	0.000	0.000	0.000	0.000
314	A	314	ALA	0	0.126	0.055	27.263	0.007	0.007	0.000	0.000	0.000	0.000
315	A	315	GLY	0	0.000	-0.010	28.558	-0.019	-0.019	0.000	0.000	0.000	0.000
316	A	316	LYS	1	0.786	0.882	31.181	-0.221	-0.221	0.000	0.000	0.000	0.000
317	A	317	GLU	-1	-0.769	-0.889	31.992	0.228	0.228	0.000	0.000	0.000	0.000
318	A	318	ARG	1	0.841	0.928	28.231	-0.296	-0.296	0.000	0.000	0.000	0.000
319	A	319	ARG	1	0.932	0.948	33.459	-0.205	-0.205	0.000	0.000	0.000	0.000
320	A	320	GLU	-1	-0.840	-0.905	36.637	0.178	0.178	0.000	0.000	0.000	0.000
321	A	321	ILE	0	-0.020	0.009	34.204	-0.013	-0.013	0.000	0.000	0.000	0.000
322	A	322	LEU	0	0.038	0.025	34.499	-0.011	-0.011	0.000	0.000	0.000	0.000
323	A	323	GLY	0	0.015	0.010	38.500	-0.009	-0.009	0.000	0.000	0.000	0.000
324	A	324	THR	0	-0.032	-0.031	41.221	-0.010	-0.010	0.000	0.000	0.000	0.000
325	A	325	CYS	0	-0.037	-0.017	39.921	-0.006	-0.006	0.000	0.000	0.000	0.000
326	A	326	LYS	1	0.838	0.909	42.252	-0.135	-0.135	0.000	0.000	0.000	0.000
327	A	327	MET	0	0.003	0.010	44.363	-0.007	-0.007	0.000	0.000	0.000	0.000
328	A	328	LEU	0	-0.004	-0.005	44.981	-0.006	-0.006	0.000	0.000	0.000	0.000
329	A	329	GLY	0	0.035	0.035	46.462	-0.005	-0.005	0.000	0.000	0.000	0.000
330	A	330	GLN	0	0.043	0.025	47.745	-0.002	-0.002	0.000	0.000	0.000	0.000
331	A	331	MET	0	-0.086	-0.048	50.091	-0.006	-0.006	0.000	0.000	0.000	0.000
332	A	332	THR	0	0.005	-0.009	50.018	-0.004	-0.004	0.000	0.000	0.000	0.000
333	A	333	ASP	-1	-0.814	-0.886	50.759	0.095	0.095	0.000	0.000	0.000	0.000
334	A	334	GLN	0	-0.027	-0.021	53.440	-0.006	-0.006	0.000	0.000	0.000	0.000
335	A	335	VAL	0	-0.023	-0.002	55.668	-0.003	-0.003	0.000	0.000	0.000	0.000
336	A	336	ALA	0	0.019	0.009	55.514	-0.003	-0.003	0.000	0.000	0.000	0.000
337	A	337	ASP	-1	-0.841	-0.897	57.492	0.066	0.066	0.000	0.000	0.000	0.000
338	A	338	LEU	0	-0.009	-0.015	59.525	-0.003	-0.003	0.000	0.000	0.000	0.000
339	A	339	ARG	1	0.846	0.921	58.193	-0.078	-0.078	0.000	0.000	0.000	0.000
340	A	340	ALA	0	-0.048	-0.009	61.037	-0.002	-0.002	0.000	0.000	0.000	0.000
341	A	341	ARG	1	0.815	0.880	61.604	-0.066	-0.066	0.000	0.000	0.000	0.000
342	A	342	GLY	0	0.018	0.029	66.154	-0.002	-0.002	0.000	0.000	0.000	0.000
343	A	343	GLN	0	-0.042	-0.025	65.417	0.000	0.000	0.000	0.000	0.000	0.000
344	A	344	GLY	0	0.061	0.021	63.454	0.002	0.002	0.000	0.000	0.000	0.000
345	A	345	SER	0	0.011	-0.001	63.868	0.002	0.002	0.000	0.000	0.000	0.000
346	A	346	SER	0	0.004	0.003	64.911	-0.001	-0.001	0.000	0.000	0.000	0.000
347	A	347	PRO	0	0.024	0.004	64.835	0.002	0.002	0.000	0.000	0.000	0.000
348	A	348	VAL	0	0.017	0.000	61.154	0.002	0.002	0.000	0.000	0.000	0.000
349	A	349	ALA	0	0.010	0.011	60.768	0.003	0.003	0.000	0.000	0.000	0.000
350	A	350	MET	0	0.030	0.034	59.891	0.002	0.002	0.000	0.000	0.000	0.000
351	A	351	GLN	0	-0.025	-0.016	59.271	0.003	0.003	0.000	0.000	0.000	0.000
352	A	352	LYS	1	0.902	0.945	55.850	-0.080	-0.080	0.000	0.000	0.000	0.000
353	A	353	ALA	0	0.046	0.040	55.169	0.004	0.004	0.000	0.000	0.000	0.000
354	A	354	GLN	0	0.002	-0.018	54.691	0.001	0.001	0.000	0.000	0.000	0.000
355	A	355	GLN	0	-0.008	0.001	52.995	0.001	0.001	0.000	0.000	0.000	0.000
356	A	356	VAL	0	0.014	0.004	49.731	0.005	0.005	0.000	0.000	0.000	0.000
357	A	357	SER	0	0.012	0.008	49.873	0.005	0.005	0.000	0.000	0.000	0.000
358	A	358	GLN	0	0.013	0.006	49.964	0.001	0.001	0.000	0.000	0.000	0.000
359	A	359	GLY	0	0.029	0.016	47.999	0.004	0.004	0.000	0.000	0.000	0.000
360	A	360	LEU	0	0.027	0.000	45.575	0.007	0.007	0.000	0.000	0.000	0.000
361	A	361	ASP	-1	-0.850	-0.896	44.872	0.117	0.117	0.000	0.000	0.000	0.000
362	A	362	VAL	0	-0.024	-0.011	43.786	0.007	0.007	0.000	0.000	0.000	0.000
363	A	363	LEU	0	-0.029	-0.013	40.138	0.008	0.008	0.000	0.000	0.000	0.000
364	A	364	THR	0	0.041	-0.002	40.254	0.010	0.010	0.000	0.000	0.000	0.000
365	A	365	ALA	0	0.036	0.015	39.517	0.009	0.009	0.000	0.000	0.000	0.000
366	A	366	LYS	1	0.825	0.920	37.457	-0.151	-0.151	0.000	0.000	0.000	0.000
367	A	367	VAL	0	0.012	-0.001	35.493	0.013	0.013	0.000	0.000	0.000	0.000
368	A	368	GLU	-1	-0.789	-0.865	34.562	0.178	0.178	0.000	0.000	0.000	0.000
369	A	369	ASN	0	-0.042	-0.034	34.743	0.018	0.018	0.000	0.000	0.000	0.000
370	A	370	ALA	0	-0.005	0.004	31.994	0.011	0.011	0.000	0.000	0.000	0.000
371	A	371	ALA	0	0.037	0.011	30.406	0.019	0.019	0.000	0.000	0.000	0.000
372	A	372	ARG	1	0.827	0.889	29.656	-0.170	-0.170	0.000	0.000	0.000	0.000
373	A	373	LYS	1	0.877	0.949	28.596	-0.230	-0.230	0.000	0.000	0.000	0.000
374	A	374	LEU	0	0.057	0.029	22.999	0.019	0.019	0.000	0.000	0.000	0.000
375	A	375	GLU	-1	-0.798	-0.891	24.841	0.287	0.287	0.000	0.000	0.000	0.000
376	A	376	ALA	0	-0.012	0.000	25.598	0.009	0.009	0.000	0.000	0.000	0.000
377	A	377	MET	0	0.004	0.019	21.906	0.017	0.017	0.000	0.000	0.000	0.000
378	A	378	THR	0	0.011	-0.001	20.870	0.053	0.053	0.000	0.000	0.000	0.000
379	A	379	ASN	0	-0.053	-0.029	21.016	0.010	0.010	0.000	0.000	0.000	0.000
380	A	380	SER	0	-0.005	-0.028	21.930	-0.003	-0.003	0.000	0.000	0.000	0.000
381	A	381	LYS	1	0.848	0.925	14.379	-0.915	-0.915	0.000	0.000	0.000	0.000
382	A	382	GLN	0	-0.010	-0.009	17.182	0.004	0.004	0.000	0.000	0.000	0.000
383	A	383	SER	0	-0.091	-0.070	18.843	-0.027	-0.027	0.000	0.000	0.000	0.000
384	A	384	ILE	0	0.008	-0.001	15.269	-0.033	-0.033	0.000	0.000	0.000	0.000
385	A	385	ALA	0	0.043	0.034	14.632	-0.025	-0.025	0.000	0.000	0.000	0.000
386	A	386	LYS	1	0.937	0.959	15.553	-0.304	-0.304	0.000	0.000	0.000	0.000
387	A	387	LYS	1	0.884	0.966	18.420	-0.316	-0.316	0.000	0.000	0.000	0.000
388	A	388	ILE	0	0.027	0.012	12.437	-0.045	-0.045	0.000	0.000	0.000	0.000
389	A	389	ASP	-1	-0.875	-0.917	14.746	0.170	0.170	0.000	0.000	0.000	0.000
390	A	390	ALA	0	0.007	-0.001	15.626	-0.050	-0.050	0.000	0.000	0.000	0.000
391	A	391	ALA	0	0.017	-0.002	17.243	-0.036	-0.036	0.000	0.000	0.000	0.000
392	A	392	GLN	0	0.022	0.019	11.883	-0.110	-0.110	0.000	0.000	0.000	0.000
393	A	393	ASN	0	-0.025	-0.021	15.777	-0.065	-0.065	0.000	0.000	0.000	0.000
394	A	394	TRP	0	0.043	0.033	18.876	-0.022	-0.022	0.000	0.000	0.000	0.000
395	A	395	LEU	0	-0.033	0.000	15.707	-0.015	-0.015	0.000	0.000	0.000	0.000
396	A	396	ALA	0	-0.052	-0.030	17.302	-0.042	-0.042	0.000	0.000	0.000	0.000
397	A	397	ASP	-1	-0.814	-0.909	18.984	-0.054	-0.054	0.000	0.000	0.000	0.000
398	A	398	PRO	0	-0.087	-0.051	22.833	0.016	0.016	0.000	0.000	0.000	0.000
399	A	399	ASN	0	-0.057	-0.033	24.787	-0.001	-0.001	0.000	0.000	0.000	0.000
400	A	400	GLY	0	0.027	0.032	25.017	0.008	0.008	0.000	0.000	0.000	0.000
401	A	401	GLY	0	0.043	0.028	26.059	-0.001	-0.001	0.000	0.000	0.000	0.000
402	A	402	PRO	0	0.022	-0.010	26.772	0.009	0.009	0.000	0.000	0.000	0.000
403	A	403	GLU	-1	-0.874	-0.937	27.100	0.076	0.076	0.000	0.000	0.000	0.000
404	A	404	GLY	0	-0.026	-0.026	23.304	0.017	0.017	0.000	0.000	0.000	0.000
405	A	405	GLU	-1	-0.886	-0.950	22.413	0.092	0.092	0.000	0.000	0.000	0.000
406	A	406	GLU	-1	-0.782	-0.851	24.094	0.177	0.177	0.000	0.000	0.000	0.000
407	A	407	GLN	0	-0.041	-0.017	20.892	0.040	0.040	0.000	0.000	0.000	0.000
408	A	408	ILE	0	0.025	0.017	18.749	0.037	0.037	0.000	0.000	0.000	0.000
409	A	409	ARG	1	0.811	0.866	20.853	-0.140	-0.140	0.000	0.000	0.000	0.000
410	A	410	GLY	0	0.011	-0.004	23.848	0.014	0.014	0.000	0.000	0.000	0.000
411	A	411	ALA	0	-0.006	-0.010	18.043	0.021	0.021	0.000	0.000	0.000	0.000
412	A	412	LEU	0	-0.001	-0.001	18.779	0.043	0.043	0.000	0.000	0.000	0.000
413	A	413	ALA	0	-0.055	-0.028	21.274	0.007	0.007	0.000	0.000	0.000	0.000
414	A	414	GLU	-1	-0.813	-0.852	21.031	0.321	0.321	0.000	0.000	0.000	0.000
415	A	415	ALA	0	0.036	0.008	18.522	0.023	0.023	0.000	0.000	0.000	0.000
416	A	416	ARG	1	0.933	0.973	20.273	-0.250	-0.250	0.000	0.000	0.000	0.000
417	A	417	LYS	1	0.881	0.940	23.650	-0.278	-0.278	0.000	0.000	0.000	0.000
418	A	418	ILE	0	0.017	-0.003	18.477	-0.002	-0.002	0.000	0.000	0.000	0.000
419	A	419	ALA	0	0.014	0.011	21.734	0.004	0.004	0.000	0.000	0.000	0.000
420	A	420	GLU	-1	-0.918	-0.945	22.978	0.250	0.250	0.000	0.000	0.000	0.000
421	A	421	LEU	0	-0.053	-0.032	25.107	-0.019	-0.019	0.000	0.000	0.000	0.000
422	A	422	CYS	0	-0.020	0.006	21.577	0.014	0.014	0.000	0.000	0.000	0.000
423	A	423	ASP	-1	-0.967	-0.982	24.246	0.330	0.330	0.000	0.000	0.000	0.000
424	A	424	ASP	-1	-0.778	-0.879	21.191	0.477	0.477	0.000	0.000	0.000	0.000
425	A	425	PRO	0	-0.022	-0.034	22.815	0.031	0.031	0.000	0.000	0.000	0.000
426	A	426	LYS	1	0.819	0.882	19.022	-0.539	-0.539	0.000	0.000	0.000	0.000
427	A	427	GLU	-1	-0.762	-0.848	16.663	0.760	0.760	0.000	0.000	0.000	0.000
428	A	428	ARG	1	0.875	0.936	19.122	-0.297	-0.297	0.000	0.000	0.000	0.000
429	A	429	ASP	-1	-0.830	-0.887	21.618	0.305	0.305	0.000	0.000	0.000	0.000
430	A	430	ASP	-1	-0.800	-0.892	15.177	0.739	0.739	0.000	0.000	0.000	0.000
431	A	431	ILE	0	0.008	0.011	16.879	0.024	0.024	0.000	0.000	0.000	0.000
432	A	432	LEU	0	-0.046	-0.033	18.344	-0.033	-0.033	0.000	0.000	0.000	0.000
433	A	433	ARG	1	0.735	0.846	18.972	-0.342	-0.342	0.000	0.000	0.000	0.000
434	A	434	SER	0	0.070	0.030	16.034	0.003	0.003	0.000	0.000	0.000	0.000
435	A	435	LEU	0	-0.047	-0.028	17.971	-0.028	-0.028	0.000	0.000	0.000	0.000
436	A	436	GLY	0	-0.018	-0.002	20.495	-0.036	-0.036	0.000	0.000	0.000	0.000
437	A	437	GLU	-1	-0.854	-0.937	17.223	0.327	0.327	0.000	0.000	0.000	0.000
438	A	438	ILE	0	0.023	0.013	15.301	-0.039	-0.039	0.000	0.000	0.000	0.000
439	A	439	SER	0	0.028	0.024	18.864	-0.035	-0.035	0.000	0.000	0.000	0.000
440	A	440	ALA	0	-0.030	0.010	22.500	-0.027	-0.027	0.000	0.000	0.000	0.000
441	A	441	LEU	0	0.025	-0.004	16.973	-0.022	-0.022	0.000	0.000	0.000	0.000
442	A	442	THR	0	-0.022	-0.029	20.091	-0.025	-0.025	0.000	0.000	0.000	0.000
443	A	443	SER	0	-0.011	-0.016	21.784	-0.018	-0.018	0.000	0.000	0.000	0.000
444	A	444	LYN	0	-0.034	-0.019	22.611	-0.009	-0.009	0.000	0.000	0.000	0.000
445	A	445	LEU	0	-0.010	0.004	19.971	-0.018	-0.018	0.000	0.000	0.000	0.000
446	A	446	ALA	0	0.009	0.007	23.838	-0.013	-0.013	0.000	0.000	0.000	0.000
447	A	447	ASP	-1	-0.870	-0.937	26.298	0.011	0.011	0.000	0.000	0.000	0.000
448	A	448	LEU	0	0.024	0.003	25.379	-0.008	-0.008	0.000	0.000	0.000	0.000
449	A	449	ARG	1	0.860	0.936	21.755	0.003	0.003	0.000	0.000	0.000	0.000
450	A	450	ARG	1	0.802	0.900	27.952	-0.029	-0.029	0.000	0.000	0.000	0.000
451	A	451	GLN	0	-0.069	-0.022	31.039	-0.002	-0.002	0.000	0.000	0.000	0.000
452	A	452	GLY	0	0.009	-0.004	31.454	-0.005	-0.005	0.000	0.000	0.000	0.000
453	A	453	LYS	1	0.817	0.907	28.241	0.047	0.047	0.000	0.000	0.000	0.000
454	A	454	GLY	0	0.020	0.027	26.047	0.000	0.000	0.000	0.000	0.000	0.000
455	A	455	ASP	-1	-0.831	-0.918	24.833	-0.082	-0.082	0.000	0.000	0.000	0.000
456	A	456	SER	0	-0.052	-0.041	25.298	-0.023	-0.023	0.000	0.000	0.000	0.000
457	A	457	PRO	0	-0.011	-0.044	20.686	0.002	0.002	0.000	0.000	0.000	0.000
458	A	458	GLU	-1	-0.851	-0.878	21.182	-0.139	-0.139	0.000	0.000	0.000	0.000
459	A	459	ALA	0	0.096	0.048	22.006	0.002	0.002	0.000	0.000	0.000	0.000
460	A	460	ARG	1	0.919	0.975	16.626	0.383	0.383	0.000	0.000	0.000	0.000
461	A	461	ALA	0	-0.042	-0.018	16.947	-0.020	-0.020	0.000	0.000	0.000	0.000
462	A	462	LEU	0	-0.005	0.008	17.435	0.014	0.014	0.000	0.000	0.000	0.000
463	A	463	ALA	0	0.036	0.006	17.331	0.034	0.034	0.000	0.000	0.000	0.000
464	A	464	LYS	1	0.893	0.933	9.172	0.580	0.580	0.000	0.000	0.000	0.000
465	A	465	GLN	0	-0.021	0.004	12.463	0.063	0.063	0.000	0.000	0.000	0.000
466	A	466	VAL	0	0.061	0.026	13.566	0.087	0.087	0.000	0.000	0.000	0.000
467	A	467	ALA	0	-0.010	-0.001	12.219	0.080	0.080	0.000	0.000	0.000	0.000
468	A	468	THR	0	-0.054	-0.038	7.831	0.002	0.002	0.000	0.000	0.000	0.000
469	A	469	ALA	0	0.035	0.020	9.808	0.233	0.233	0.000	0.000	0.000	0.000
470	A	470	LEU	0	0.004	0.001	12.433	0.114	0.114	0.000	0.000	0.000	0.000
471	A	471	GLN	0	0.056	0.037	6.575	0.083	0.083	0.000	0.000	0.000	0.000
472	A	472	ASN	0	0.016	0.018	8.095	0.277	0.277	0.000	0.000	0.000	0.000
473	A	473	LEU	0	0.009	0.009	9.897	0.073	0.073	0.000	0.000	0.000	0.000
474	A	474	GLN	0	0.001	-0.009	10.447	-0.049	-0.049	0.000	0.000	0.000	0.000
475	A	475	THR	0	-0.012	-0.007	7.267	0.242	0.242	0.000	0.000	0.000	0.000
476	A	476	LYS	1	0.817	0.897	10.285	-0.828	-0.828	0.000	0.000	0.000	0.000
477	A	477	THR	0	-0.021	-0.033	13.024	-0.074	-0.074	0.000	0.000	0.000	0.000
478	A	478	ASN	0	-0.074	-0.044	11.478	-0.152	-0.152	0.000	0.000	0.000	0.000
479	A	479	ARG	1	0.806	0.871	8.522	-2.168	-2.168	0.000	0.000	0.000	0.000
480	A	480	ALA	0	0.048	0.036	14.167	-0.112	-0.112	0.000	0.000	0.000	0.000
481	A	481	VAL	0	0.010	-0.012	17.192	-0.075	-0.075	0.000	0.000	0.000	0.000
482	A	482	ALA	0	-0.023	0.018	15.229	-0.077	-0.077	0.000	0.000	0.000	0.000
483	A	483	ASN	0	-0.040	-0.047	16.337	-0.077	-0.077	0.000	0.000	0.000	0.000
484	A	484	SER	0	-0.094	-0.039	19.353	-0.076	-0.076	0.000	0.000	0.000	0.000
485	A	485	ARG	1	0.729	0.831	18.492	-0.650	-0.650	0.000	0.000	0.000	0.000
486	A	486	PRO	0	-0.046	-0.002	21.940	0.024	0.024	0.000	0.000	0.000	0.000
487	A	487	ALA	0	-0.002	-0.002	21.183	0.026	0.026	0.000	0.000	0.000	0.000
488	A	488	LYS	1	0.830	0.904	21.812	-0.495	-0.495	0.000	0.000	0.000	0.000
489	A	489	ALA	0	0.020	0.020	23.584	0.006	0.006	0.000	0.000	0.000	0.000
490	A	490	ALA	0	-0.045	-0.028	24.855	0.021	0.021	0.000	0.000	0.000	0.000
491	A	491	VAL	0	0.027	0.005	24.349	-0.015	-0.015	0.000	0.000	0.000	0.000
492	A	492	HIS	0	0.061	0.051	25.702	-0.025	-0.025	0.000	0.000	0.000	0.000
493	A	493	LEU	0	0.053	0.041	29.640	0.007	0.007	0.000	0.000	0.000	0.000
494	A	494	GLU	-1	-0.788	-0.897	30.760	0.139	0.139	0.000	0.000	0.000	0.000
495	A	495	GLY	0	-0.002	-0.008	27.414	-0.001	-0.001	0.000	0.000	0.000	0.000
496	A	496	LYS	1	0.825	0.917	28.224	-0.211	-0.211	0.000	0.000	0.000	0.000
497	A	497	ILE	0	0.038	0.015	30.081	-0.003	-0.003	0.000	0.000	0.000	0.000
498	A	498	GLU	-1	-0.833	-0.898	26.531	0.195	0.195	0.000	0.000	0.000	0.000
499	A	499	GLN	0	0.017	-0.003	24.051	-0.011	-0.011	0.000	0.000	0.000	0.000
500	A	500	ALA	0	0.004	0.009	28.495	-0.001	-0.001	0.000	0.000	0.000	0.000
501	A	501	GLN	0	-0.007	0.008	32.025	-0.013	-0.013	0.000	0.000	0.000	0.000
502	A	502	ARG	1	0.865	0.915	25.113	-0.226	-0.226	0.000	0.000	0.000	0.000
503	A	503	TRP	0	0.025	0.025	30.152	-0.005	-0.005	0.000	0.000	0.000	0.000
504	A	504	ILE	0	-0.039	-0.023	31.457	-0.007	-0.007	0.000	0.000	0.000	0.000
505	A	505	ASP	-1	-0.860	-0.937	33.892	0.104	0.104	0.000	0.000	0.000	0.000
506	A	506	ASN	0	-0.109	-0.048	30.673	-0.012	-0.012	0.000	0.000	0.000	0.000
507	A	507	PRO	0	0.032	0.009	31.561	0.013	0.013	0.000	0.000	0.000	0.000
508	A	508	THR	0	0.001	0.005	32.625	0.010	0.010	0.000	0.000	0.000	0.000
509	A	509	VAL	0	-0.043	-0.007	27.464	0.005	0.005	0.000	0.000	0.000	0.000
510	A	510	ASP	-1	-0.853	-0.944	22.902	0.339	0.339	0.000	0.000	0.000	0.000
511	A	511	ASP	-1	-0.829	-0.911	24.422	0.261	0.261	0.000	0.000	0.000	0.000
512	A	512	ARG	1	0.903	0.947	17.871	-0.500	-0.500	0.000	0.000	0.000	0.000
513	A	513	GLY	0	0.000	0.009	24.170	0.016	0.016	0.000	0.000	0.000	0.000
514	A	514	VAL	0	-0.029	-0.018	22.904	-0.014	-0.014	0.000	0.000	0.000	0.000
515	A	515	GLY	0	0.031	0.011	26.339	-0.010	-0.010	0.000	0.000	0.000	0.000
516	A	516	GLN	0	-0.008	-0.011	29.407	-0.017	-0.017	0.000	0.000	0.000	0.000
517	A	517	ALA	0	-0.031	-0.017	28.121	-0.010	-0.010	0.000	0.000	0.000	0.000
518	A	518	ALA	0	-0.007	-0.004	29.019	-0.006	-0.006	0.000	0.000	0.000	0.000
519	A	519	ILE	0	-0.011	-0.003	30.693	-0.010	-0.010	0.000	0.000	0.000	0.000
520	A	520	ARG	1	0.840	0.883	30.499	-0.235	-0.235	0.000	0.000	0.000	0.000
521	A	521	GLY	0	-0.001	0.009	32.559	-0.004	-0.004	0.000	0.000	0.000	0.000
522	A	522	LEU	0	-0.003	-0.004	33.487	-0.007	-0.007	0.000	0.000	0.000	0.000
523	A	523	VAL	0	0.034	0.020	36.194	-0.009	-0.009	0.000	0.000	0.000	0.000
524	A	524	ALA	0	-0.016	0.005	35.586	-0.008	-0.008	0.000	0.000	0.000	0.000
525	A	525	GLU	-1	-0.818	-0.907	34.339	0.181	0.181	0.000	0.000	0.000	0.000
526	A	526	GLY	0	0.051	0.013	38.037	-0.008	-0.008	0.000	0.000	0.000	0.000
527	A	527	HIS	0	-0.047	-0.045	40.804	-0.010	-0.010	0.000	0.000	0.000	0.000
528	A	528	ARG	1	0.754	0.847	34.260	-0.189	-0.189	0.000	0.000	0.000	0.000
529	A	529	LEU	0	0.012	0.030	40.770	-0.004	-0.004	0.000	0.000	0.000	0.000
530	A	530	ALA	0	0.039	0.012	43.589	-0.006	-0.006	0.000	0.000	0.000	0.000
531	A	531	ASN	0	-0.061	-0.052	43.910	-0.009	-0.009	0.000	0.000	0.000	0.000
532	A	532	VAL	0	-0.032	0.001	45.454	-0.002	-0.002	0.000	0.000	0.000	0.000
533	A	533	MET	0	-0.029	0.023	46.830	-0.005	-0.005	0.000	0.000	0.000	0.000
534	A	534	MET	0	0.012	-0.004	50.030	0.000	0.000	0.000	0.000	0.000	0.000
535	A	535	GLY	0	0.033	0.009	53.641	-0.001	-0.001	0.000	0.000	0.000	0.000
536	A	536	PRO	0	0.019	0.002	54.643	0.003	0.003	0.000	0.000	0.000	0.000
537	A	537	TYR	0	0.031	0.018	51.730	0.001	0.001	0.000	0.000	0.000	0.000
538	A	538	ARG	1	0.881	0.954	49.467	-0.089	-0.089	0.000	0.000	0.000	0.000
539	A	539	GLN	0	0.065	0.006	49.544	0.003	0.003	0.000	0.000	0.000	0.000
540	A	540	ASP	-1	-0.823	-0.874	50.702	0.085	0.085	0.000	0.000	0.000	0.000
541	A	541	LEU	0	0.035	0.005	43.951	0.002	0.002	0.000	0.000	0.000	0.000
542	A	542	LEU	0	0.037	0.020	45.505	0.004	0.004	0.000	0.000	0.000	0.000
543	A	543	ALA	0	-0.016	0.006	46.820	0.003	0.003	0.000	0.000	0.000	0.000
544	A	544	LYS	1	0.821	0.896	45.255	-0.086	-0.086	0.000	0.000	0.000	0.000
545	A	545	CYS	0	-0.071	-0.016	42.754	0.006	0.006	0.000	0.000	0.000	0.000
546	A	546	ASP	-1	-0.803	-0.910	42.947	0.121	0.121	0.000	0.000	0.000	0.000
547	A	547	ARG	1	0.821	0.914	45.067	-0.092	-0.092	0.000	0.000	0.000	0.000
548	A	548	VAL	0	0.062	0.023	39.435	0.000	0.000	0.000	0.000	0.000	0.000
549	A	549	ASP	-1	-0.824	-0.895	39.931	0.148	0.148	0.000	0.000	0.000	0.000
550	A	550	GLN	0	-0.038	-0.016	41.367	-0.001	-0.001	0.000	0.000	0.000	0.000
551	A	551	LEU	0	-0.024	-0.004	42.312	0.000	0.000	0.000	0.000	0.000	0.000
552	A	552	THR	0	-0.006	-0.020	36.410	0.002	0.002	0.000	0.000	0.000	0.000
553	A	553	ALA	0	-0.025	-0.013	38.759	0.004	0.004	0.000	0.000	0.000	0.000
554	A	554	GLN	0	-0.039	-0.024	40.480	0.000	0.000	0.000	0.000	0.000	0.000
555	A	555	LEU	0	0.015	0.009	37.770	-0.002	-0.002	0.000	0.000	0.000	0.000
556	A	556	ALA	0	0.019	0.004	36.426	0.001	0.001	0.000	0.000	0.000	0.000
557	A	557	ASP	-1	-0.863	-0.919	37.660	0.117	0.117	0.000	0.000	0.000	0.000
558	A	558	LEU	0	-0.054	-0.020	40.237	-0.001	-0.001	0.000	0.000	0.000	0.000
559	A	559	ALA	0	0.020	0.009	35.691	-0.002	-0.002	0.000	0.000	0.000	0.000
560	A	560	ALA	0	-0.040	-0.018	36.005	0.002	0.002	0.000	0.000	0.000	0.000
561	A	561	ARG	1	0.737	0.849	37.006	-0.103	-0.103	0.000	0.000	0.000	0.000
562	A	562	GLY	0	0.027	0.026	38.132	-0.004	-0.004	0.000	0.000	0.000	0.000
563	A	563	GLU	-1	-0.900	-0.932	39.202	0.084	0.084	0.000	0.000	0.000	0.000
564	A	564	GLY	0	0.022	0.003	37.661	0.003	0.003	0.000	0.000	0.000	0.000
565	A	565	GLU	-1	-0.940	-0.969	38.276	0.095	0.095	0.000	0.000	0.000	0.000
566	A	566	SER	0	-0.029	-0.007	40.927	-0.005	-0.005	0.000	0.000	0.000	0.000
567	A	567	PRO	0	0.021	0.001	44.182	0.002	0.002	0.000	0.000	0.000	0.000
568	A	568	GLN	0	-0.007	-0.030	46.261	-0.001	-0.001	0.000	0.000	0.000	0.000
569	A	569	ALA	0	0.065	0.048	40.833	0.003	0.003	0.000	0.000	0.000	0.000
570	A	570	ARG	1	0.870	0.916	38.988	-0.091	-0.091	0.000	0.000	0.000	0.000
571	A	571	ALA	0	-0.002	-0.004	43.175	0.000	0.000	0.000	0.000	0.000	0.000
572	A	572	LEU	0	-0.050	-0.030	43.020	0.000	0.000	0.000	0.000	0.000	0.000
573	A	573	ALA	0	0.052	0.021	39.669	0.003	0.003	0.000	0.000	0.000	0.000
574	A	574	SER	0	-0.022	-0.011	40.990	0.002	0.002	0.000	0.000	0.000	0.000
575	A	575	GLN	0	0.061	0.027	43.420	0.002	0.002	0.000	0.000	0.000	0.000
576	A	576	LEU	0	-0.003	0.024	38.361	0.000	0.000	0.000	0.000	0.000	0.000
577	A	577	GLN	0	0.041	0.018	38.099	-0.002	-0.002	0.000	0.000	0.000	0.000
578	A	578	ASP	-1	-0.848	-0.898	40.033	0.087	0.087	0.000	0.000	0.000	0.000
579	A	579	SER	0	-0.023	-0.030	43.068	-0.002	-0.002	0.000	0.000	0.000	0.000
580	A	580	LEU	0	-0.015	-0.011	36.480	0.002	0.002	0.000	0.000	0.000	0.000
581	A	581	LYS	1	0.810	0.893	40.053	-0.094	-0.094	0.000	0.000	0.000	0.000
582	A	582	ASP	-1	-0.824	-0.873	41.842	0.088	0.088	0.000	0.000	0.000	0.000
583	A	583	LEU	0	0.029	0.000	39.736	0.000	0.000	0.000	0.000	0.000	0.000
584	A	584	LYS	1	0.812	0.901	36.466	-0.122	-0.122	0.000	0.000	0.000	0.000
585	A	585	ALA	0	0.021	0.010	40.545	0.001	0.001	0.000	0.000	0.000	0.000
586	A	586	ARG	1	0.814	0.869	43.631	-0.087	-0.087	0.000	0.000	0.000	0.000
587	A	587	MET	0	-0.033	-0.016	38.313	0.001	0.001	0.000	0.000	0.000	0.000
588	A	588	GLN	0	-0.017	-0.011	38.047	-0.002	-0.002	0.000	0.000	0.000	0.000
589	A	589	GLU	-1	-0.932	-0.945	42.048	0.079	0.079	0.000	0.000	0.000	0.000
590	A	590	ALA	0	-0.007	-0.009	44.332	-0.001	-0.001	0.000	0.000	0.000	0.000
591	A	591	MET	0	-0.023	0.006	38.695	-0.002	-0.002	0.000	0.000	0.000	0.000
592	A	592	THR	0	0.028	0.005	42.879	0.000	0.000	0.000	0.000	0.000	0.000
593	A	593	GLN	0	-0.001	0.002	44.797	-0.002	-0.002	0.000	0.000	0.000	0.000
594	A	594	GLU	-1	-0.780	-0.854	43.199	0.118	0.118	0.000	0.000	0.000	0.000
595	A	595	VAL	0	0.017	0.004	41.567	-0.001	-0.001	0.000	0.000	0.000	0.000
596	A	596	SER	0	0.014	0.003	44.679	-0.004	-0.004	0.000	0.000	0.000	0.000
597	A	597	ASP	-1	-0.909	-0.940	48.223	0.070	0.070	0.000	0.000	0.000	0.000
598	A	598	VAL	0	-0.042	-0.017	44.569	-0.002	-0.002	0.000	0.000	0.000	0.000
599	A	599	PHE	0	0.013	-0.005	40.147	0.001	0.001	0.000	0.000	0.000	0.000
600	A	600	SER	0	-0.022	0.011	46.209	-0.004	-0.004	0.000	0.000	0.000	0.000
601	A	601	ASP	-1	-0.826	-0.891	49.420	0.067	0.067	0.000	0.000	0.000	0.000
602	A	602	THR	0	0.019	0.021	44.574	0.001	0.001	0.000	0.000	0.000	0.000
603	A	603	THR	0	0.008	0.000	46.678	0.001	0.001	0.000	0.000	0.000	0.000
604	A	604	THR	0	-0.078	-0.085	49.116	-0.002	-0.002	0.000	0.000	0.000	0.000
605	A	605	PRO	0	0.031	0.022	48.571	-0.002	-0.002	0.000	0.000	0.000	0.000
606	A	606	ILE	0	0.052	0.024	45.324	-0.001	-0.001	0.000	0.000	0.000	0.000
607	A	607	LYS	1	0.888	0.948	49.262	-0.066	-0.066	0.000	0.000	0.000	0.000
608	A	608	LEU	0	-0.004	-0.004	52.478	-0.002	-0.002	0.000	0.000	0.000	0.000
609	A	609	LEU	0	0.013	0.021	48.440	-0.002	-0.002	0.000	0.000	0.000	0.000
610	A	610	ALA	0	0.024	0.001	50.807	-0.001	-0.001	0.000	0.000	0.000	0.000
611	A	611	VAL	0	-0.030	-0.015	52.313	-0.002	-0.002	0.000	0.000	0.000	0.000
612	A	612	ALA	0	-0.002	0.002	54.791	-0.002	-0.002	0.000	0.000	0.000	0.000
613	A	613	ALA	0	-0.009	-0.008	52.223	-0.001	-0.001	0.000	0.000	0.000	0.000
614	A	614	THR	0	-0.065	-0.041	54.247	-0.002	-0.002	0.000	0.000	0.000	0.000
615	A	615	ALA	0	0.012	0.026	56.766	-0.003	-0.003	0.000	0.000	0.000	0.000
616	A	616	PRO	0	0.041	0.003	59.873	0.000	0.000	0.000	0.000	0.000	0.000
617	A	617	PRO	0	-0.008	-0.022	61.964	0.001	0.001	0.000	0.000	0.000	0.000
618	A	618	ASP	-1	-0.917	-0.949	63.193	0.042	0.042	0.000	0.000	0.000	0.000
619	A	619	ALA	0	-0.046	-0.004	62.989	-0.001	-0.001	0.000	0.000	0.000	0.000
620	A	620	PRO	0	0.036	-0.004	64.689	0.001	0.001	0.000	0.000	0.000	0.000
621	A	621	ASN	0	-0.058	-0.036	62.967	0.000	0.000	0.000	0.000	0.000	0.000
622	A	622	ARG	1	0.821	0.917	58.100	-0.052	-0.052	0.000	0.000	0.000	0.000
623	A	623	GLU	-1	-0.841	-0.909	56.215	0.063	0.063	0.000	0.000	0.000	0.000
624	A	624	GLU	-1	-0.881	-0.911	58.060	0.057	0.057	0.000	0.000	0.000	0.000
625	A	625	VAL	0	-0.009	-0.022	57.567	0.003	0.003	0.000	0.000	0.000	0.000
626	A	626	PHE	0	-0.004	-0.001	50.573	0.002	0.002	0.000	0.000	0.000	0.000
627	A	627	ASP	-1	-0.773	-0.896	52.031	0.080	0.080	0.000	0.000	0.000	0.000
628	A	628	GLU	-1	-0.868	-0.899	52.832	0.070	0.070	0.000	0.000	0.000	0.000
629	A	629	ARG	1	0.841	0.899	53.538	-0.061	-0.061	0.000	0.000	0.000	0.000
630	A	630	ALA	0	0.026	0.024	49.324	0.003	0.003	0.000	0.000	0.000	0.000
631	A	631	ALA	0	0.039	0.027	48.799	0.004	0.004	0.000	0.000	0.000	0.000
632	A	632	ASN	0	-0.079	-0.055	49.188	0.003	0.003	0.000	0.000	0.000	0.000
633	A	633	PHE	0	-0.029	-0.008	43.621	0.001	0.001	0.000	0.000	0.000	0.000
634	A	634	GLU	-1	-0.900	-0.957	44.169	0.111	0.111	0.000	0.000	0.000	0.000
635	A	635	ASN	0	-0.050	-0.045	44.147	0.008	0.008	0.000	0.000	0.000	0.000
636	A	636	HIS	0	-0.007	0.003	45.504	0.004	0.004	0.000	0.000	0.000	0.000
637	A	637	SER	0	0.020	-0.001	40.956	0.004	0.004	0.000	0.000	0.000	0.000
638	A	638	GLY	0	-0.021	-0.006	40.720	0.006	0.006	0.000	0.000	0.000	0.000
639	A	639	LYS	1	0.860	0.917	40.841	-0.090	-0.090	0.000	0.000	0.000	0.000
640	A	640	LEU	0	0.012	0.017	41.615	0.003	0.003	0.000	0.000	0.000	0.000
641	A	641	GLY	0	0.050	0.013	37.871	0.003	0.003	0.000	0.000	0.000	0.000
642	A	642	ALA	0	0.001	-0.001	37.281	0.008	0.008	0.000	0.000	0.000	0.000
643	A	643	THR	0	-0.048	-0.051	38.717	0.003	0.003	0.000	0.000	0.000	0.000
644	A	644	ALA	0	0.025	0.018	36.586	0.001	0.001	0.000	0.000	0.000	0.000
645	A	645	GLU	-1	-0.858	-0.919	33.173	0.193	0.193	0.000	0.000	0.000	0.000
646	A	646	LYS	1	0.794	0.878	34.484	-0.121	-0.121	0.000	0.000	0.000	0.000
647	A	647	ALA	0	0.036	0.004	36.540	0.002	0.002	0.000	0.000	0.000	0.000
648	A	648	ALA	0	-0.046	-0.019	31.476	0.000	0.000	0.000	0.000	0.000	0.000
649	A	649	ALA	0	-0.028	-0.004	32.145	0.008	0.008	0.000	0.000	0.000	0.000
650	A	650	VAL	0	-0.046	-0.040	33.215	0.003	0.003	0.000	0.000	0.000	0.000
651	A	651	GLY	0	0.098	0.050	35.425	-0.011	-0.011	0.000	0.000	0.000	0.000
652	A	652	THR	0	-0.090	-0.050	34.727	0.006	0.006	0.000	0.000	0.000	0.000
653	A	653	ALA	0	0.015	0.009	31.729	-0.007	-0.007	0.000	0.000	0.000	0.000
654	A	654	ASN	0	0.010	0.012	25.112	0.025	0.025	0.000	0.000	0.000	0.000
655	A	655	LYS	1	0.850	0.874	20.223	-0.377	-0.377	0.000	0.000	0.000	0.000
656	A	656	SER	0	0.017	0.029	25.918	0.006	0.006	0.000	0.000	0.000	0.000
657	A	657	THR	0	0.065	0.029	27.288	0.003	0.003	0.000	0.000	0.000	0.000
658	A	658	VAL	0	-0.019	0.004	28.123	0.001	0.001	0.000	0.000	0.000	0.000
659	A	659	GLU	-1	-0.814	-0.904	22.863	0.352	0.352	0.000	0.000	0.000	0.000
660	A	660	GLY	0	0.022	0.017	27.011	0.002	0.002	0.000	0.000	0.000	0.000
661	A	661	ILE	0	0.012	0.018	29.305	-0.006	-0.006	0.000	0.000	0.000	0.000
662	A	662	GLN	0	0.023	0.006	27.865	0.004	0.004	0.000	0.000	0.000	0.000
663	A	663	ALA	0	0.008	0.014	27.513	-0.001	-0.001	0.000	0.000	0.000	0.000
664	A	664	SER	0	-0.028	-0.011	29.368	-0.011	-0.011	0.000	0.000	0.000	0.000
665	A	665	VAL	0	0.041	0.019	33.025	-0.009	-0.009	0.000	0.000	0.000	0.000
666	A	666	LYS	1	0.845	0.913	27.226	-0.249	-0.249	0.000	0.000	0.000	0.000
667	A	667	THR	0	0.004	-0.010	31.377	-0.006	-0.006	0.000	0.000	0.000	0.000
668	A	668	ALA	0	0.020	0.011	33.186	-0.009	-0.009	0.000	0.000	0.000	0.000
669	A	669	ARG	1	0.780	0.890	34.871	-0.175	-0.175	0.000	0.000	0.000	0.000
670	A	670	GLU	-1	-0.856	-0.915	30.690	0.197	0.197	0.000	0.000	0.000	0.000
671	A	671	LEU	0	-0.003	-0.012	35.395	-0.007	-0.007	0.000	0.000	0.000	0.000
672	A	672	THR	0	-0.014	0.006	37.876	-0.010	-0.010	0.000	0.000	0.000	0.000
673	A	673	PRO	0	0.076	0.025	38.911	-0.007	-0.007	0.000	0.000	0.000	0.000
674	A	674	GLN	0	-0.021	-0.005	36.557	-0.009	-0.009	0.000	0.000	0.000	0.000
675	A	675	VAL	0	-0.001	-0.001	40.873	-0.006	-0.006	0.000	0.000	0.000	0.000
676	A	676	VAL	0	0.003	0.003	43.640	-0.006	-0.006	0.000	0.000	0.000	0.000
677	A	677	SER	0	-0.004	-0.017	42.897	-0.005	-0.005	0.000	0.000	0.000	0.000
678	A	678	ALA	0	-0.003	-0.010	44.283	-0.005	-0.005	0.000	0.000	0.000	0.000
679	A	679	ALA	0	-0.012	-0.003	46.191	-0.005	-0.005	0.000	0.000	0.000	0.000
680	A	680	ARG	1	0.849	0.905	47.297	-0.090	-0.090	0.000	0.000	0.000	0.000
681	A	681	ILE	0	-0.054	-0.016	45.729	-0.003	-0.003	0.000	0.000	0.000	0.000
682	A	682	LEU	0	-0.017	-0.010	50.229	-0.003	-0.003	0.000	0.000	0.000	0.000
683	A	683	LEU	0	-0.021	0.023	52.588	-0.003	-0.003	0.000	0.000	0.000	0.000
684	A	684	ARG	1	0.862	0.905	52.800	-0.071	-0.071	0.000	0.000	0.000	0.000
685	A	685	ASN	0	-0.047	-0.008	53.088	-0.003	-0.003	0.000	0.000	0.000	0.000
686	A	686	PRO	0	0.073	0.030	54.996	0.000	0.000	0.000	0.000	0.000	0.000
687	A	687	GLY	0	-0.018	0.004	57.380	-0.001	-0.001	0.000	0.000	0.000	0.000
688	A	688	ASN	0	-0.009	-0.018	51.758	-0.002	-0.002	0.000	0.000	0.000	0.000
689	A	689	GLN	0	0.032	-0.003	51.092	0.003	0.003	0.000	0.000	0.000	0.000
690	A	690	ALA	0	0.015	0.015	48.679	0.002	0.002	0.000	0.000	0.000	0.000
691	A	691	ALA	0	-0.007	-0.018	48.355	0.004	0.004	0.000	0.000	0.000	0.000
692	A	692	TYR	0	-0.044	-0.033	49.460	0.002	0.002	0.000	0.000	0.000	0.000
693	A	693	GLU	-1	-0.880	-0.929	46.681	0.056	0.056	0.000	0.000	0.000	0.000
694	A	694	HIS	0	0.021	0.036	41.410	0.001	0.001	0.000	0.000	0.000	0.000
695	A	695	PHE	0	0.028	0.009	44.650	0.004	0.004	0.000	0.000	0.000	0.000
696	A	696	GLU	-1	-0.781	-0.855	46.190	0.067	0.067	0.000	0.000	0.000	0.000
697	A	697	THR	0	-0.027	-0.014	41.062	0.002	0.002	0.000	0.000	0.000	0.000
698	A	698	MET	0	-0.038	-0.016	38.569	0.005	0.005	0.000	0.000	0.000	0.000
699	A	699	LYS	1	0.799	0.879	42.015	-0.064	-0.064	0.000	0.000	0.000	0.000
700	A	700	ASN	0	0.002	-0.009	43.933	0.003	0.003	0.000	0.000	0.000	0.000
701	A	701	GLN	0	0.050	0.037	35.962	0.002	0.002	0.000	0.000	0.000	0.000
702	A	702	TRP	0	-0.041	-0.031	38.999	0.004	0.004	0.000	0.000	0.000	0.000
703	A	703	ILE	0	-0.001	-0.012	40.626	0.003	0.003	0.000	0.000	0.000	0.000
704	A	704	ASP	-1	-0.895	-0.936	39.131	0.088	0.088	0.000	0.000	0.000	0.000
705	A	705	ASN	0	-0.101	-0.061	34.915	0.009	0.009	0.000	0.000	0.000	0.000
706	A	706	VAL	0	0.000	0.007	37.649	0.007	0.007	0.000	0.000	0.000	0.000
707	A	707	GLU	-1	-0.789	-0.884	40.398	0.089	0.089	0.000	0.000	0.000	0.000
708	A	708	LYS	1	0.869	0.939	32.815	-0.141	-0.141	0.000	0.000	0.000	0.000
709	A	709	MET	0	-0.034	-0.002	36.241	0.003	0.003	0.000	0.000	0.000	0.000
710	A	710	THR	0	0.005	-0.037	37.723	0.004	0.004	0.000	0.000	0.000	0.000
711	A	711	GLY	0	0.006	0.010	39.739	-0.002	-0.002	0.000	0.000	0.000	0.000
712	A	712	LEU	0	-0.015	-0.016	33.018	0.001	0.001	0.000	0.000	0.000	0.000
713	A	713	VAL	0	-0.012	-0.007	36.674	0.004	0.004	0.000	0.000	0.000	0.000
714	A	714	ASP	-1	-0.790	-0.862	38.614	0.089	0.089	0.000	0.000	0.000	0.000
715	A	715	GLU	-1	-0.898	-0.936	36.858	0.094	0.094	0.000	0.000	0.000	0.000
716	A	716	ALA	0	-0.044	-0.008	36.217	0.005	0.005	0.000	0.000	0.000	0.000
717	A	717	ILE	0	0.002	-0.004	37.261	0.002	0.002	0.000	0.000	0.000	0.000
718	A	718	ASP	-1	-0.773	-0.849	40.750	0.072	0.072	0.000	0.000	0.000	0.000
719	A	719	THR	0	0.023	-0.014	42.302	0.000	0.000	0.000	0.000	0.000	0.000
720	A	720	LYS	1	0.846	0.918	44.689	-0.070	-0.070	0.000	0.000	0.000	0.000
721	A	721	SER	0	0.045	-0.002	45.117	-0.001	-0.001	0.000	0.000	0.000	0.000
722	A	722	LEU	0	-0.030	0.003	43.578	-0.001	-0.001	0.000	0.000	0.000	0.000
723	A	723	LEU	0	-0.001	0.003	46.935	-0.002	-0.002	0.000	0.000	0.000	0.000
724	A	724	ASP	-1	-0.859	-0.936	50.191	0.059	0.059	0.000	0.000	0.000	0.000
725	A	725	ALA	0	-0.015	-0.008	49.033	-0.002	-0.002	0.000	0.000	0.000	0.000
726	A	726	SER	0	-0.041	-0.039	49.710	0.000	0.000	0.000	0.000	0.000	0.000
727	A	727	GLU	-1	-0.860	-0.900	52.187	0.047	0.047	0.000	0.000	0.000	0.000
728	A	728	GLU	-1	-0.771	-0.879	54.557	0.051	0.051	0.000	0.000	0.000	0.000
729	A	729	ALA	0	-0.028	-0.008	53.272	-0.001	-0.001	0.000	0.000	0.000	0.000
730	A	730	ILE	0	0.001	-0.008	55.391	-0.001	-0.001	0.000	0.000	0.000	0.000
731	A	731	LYS	1	0.798	0.876	57.895	-0.053	-0.053	0.000	0.000	0.000	0.000
732	A	732	LYS	1	0.880	0.937	56.304	-0.064	-0.064	0.000	0.000	0.000	0.000
733	A	733	ASP	-1	-0.750	-0.844	57.294	0.061	0.061	0.000	0.000	0.000	0.000
734	A	734	LEU	0	0.027	0.016	60.408	-0.002	-0.002	0.000	0.000	0.000	0.000
735	A	735	ASP	-1	-0.854	-0.911	63.321	0.044	0.044	0.000	0.000	0.000	0.000
736	A	736	LYN	0	0.002	0.020	58.308	0.000	0.000	0.000	0.000	0.000	0.000
737	A	737	CYS	0	-0.070	-0.021	63.555	-0.001	-0.001	0.000	0.000	0.000	0.000
738	A	738	LYS	1	0.846	0.909	66.300	-0.044	-0.044	0.000	0.000	0.000	0.000
739	A	739	VAL	0	0.009	0.005	67.170	-0.001	-0.001	0.000	0.000	0.000	0.000
740	A	740	ALA	0	-0.008	-0.003	67.206	-0.001	-0.001	0.000	0.000	0.000	0.000
741	A	741	MET	0	-0.047	-0.027	69.220	-0.001	-0.001	0.000	0.000	0.000	0.000
742	A	742	ALA	0	-0.044	-0.011	72.163	-0.001	-0.001	0.000	0.000	0.000	0.000
743	A	743	ASN	0	-0.017	-0.005	70.502	-0.002	-0.002	0.000	0.000	0.000	0.000
744	A	744	ILE	0	-0.021	-0.009	73.549	0.000	0.000	0.000	0.000	0.000	0.000
745	A	745	GLN	0	0.017	0.004	68.934	0.002	0.002	0.000	0.000	0.000	0.000
746	A	746	PRO	0	0.028	0.007	69.125	0.002	0.002	0.000	0.000	0.000	0.000
747	A	747	GLN	0	-0.004	-0.005	65.592	0.001	0.001	0.000	0.000	0.000	0.000
748	A	748	MET	0	0.021	0.012	64.408	0.002	0.002	0.000	0.000	0.000	0.000
749	A	749	LEU	0	-0.013	0.010	64.362	0.001	0.001	0.000	0.000	0.000	0.000
750	A	750	VAL	0	0.035	0.009	63.815	0.001	0.001	0.000	0.000	0.000	0.000
751	A	751	ALA	0	-0.004	0.019	60.668	0.001	0.001	0.000	0.000	0.000	0.000
752	A	752	GLY	0	0.048	0.027	59.955	0.002	0.002	0.000	0.000	0.000	0.000
753	A	753	ALA	0	0.032	0.002	60.476	0.001	0.001	0.000	0.000	0.000	0.000
754	A	754	THR	0	-0.077	-0.052	57.430	0.000	0.000	0.000	0.000	0.000	0.000
755	A	755	SER	0	-0.055	-0.051	55.964	0.001	0.001	0.000	0.000	0.000	0.000
756	A	756	ILE	0	0.031	0.016	55.733	0.002	0.002	0.000	0.000	0.000	0.000
757	A	757	ALA	0	-0.002	0.004	56.884	0.000	0.000	0.000	0.000	0.000	0.000
758	A	758	ARG	1	0.881	0.941	52.679	-0.066	-0.066	0.000	0.000	0.000	0.000
759	A	759	ARG	1	0.801	0.865	51.778	-0.067	-0.067	0.000	0.000	0.000	0.000
760	A	760	ALA	0	0.034	0.010	52.493	0.001	0.001	0.000	0.000	0.000	0.000
761	A	761	ASN	0	-0.059	-0.050	52.516	-0.001	-0.001	0.000	0.000	0.000	0.000
762	A	762	ARG	1	0.802	0.873	44.235	-0.087	-0.087	0.000	0.000	0.000	0.000
763	A	763	ILE	0	0.029	0.021	48.601	0.001	0.001	0.000	0.000	0.000	0.000
764	A	764	LEU	0	-0.038	-0.016	50.075	-0.001	-0.001	0.000	0.000	0.000	0.000
765	A	765	LEU	0	0.001	0.005	46.459	-0.001	-0.001	0.000	0.000	0.000	0.000
766	A	766	VAL	0	0.019	0.012	44.729	0.001	0.001	0.000	0.000	0.000	0.000
767	A	767	ALA	0	-0.008	-0.005	45.855	0.000	0.000	0.000	0.000	0.000	0.000
768	A	768	LYS	1	0.870	0.926	47.137	-0.046	-0.046	0.000	0.000	0.000	0.000
769	A	769	ARG	1	0.866	0.925	40.089	-0.085	-0.085	0.000	0.000	0.000	0.000
770	A	770	GLU	-1	-0.767	-0.856	41.764	0.076	0.076	0.000	0.000	0.000	0.000
771	A	771	VAL	0	-0.042	-0.020	44.193	-0.003	-0.003	0.000	0.000	0.000	0.000
772	A	772	GLU	-1	-0.818	-0.908	42.584	0.044	0.044	0.000	0.000	0.000	0.000
773	A	773	ASN	0	-0.018	0.004	38.598	0.001	0.001	0.000	0.000	0.000	0.000
774	A	774	SER	0	-0.013	0.004	40.351	-0.002	-0.002	0.000	0.000	0.000	0.000
775	A	775	GLU	-1	-0.843	-0.914	40.049	0.034	0.034	0.000	0.000	0.000	0.000
776	A	776	ASP	-1	-0.784	-0.850	44.233	0.026	0.026	0.000	0.000	0.000	0.000
777	A	777	PRO	0	0.014	-0.006	46.761	0.002	0.002	0.000	0.000	0.000	0.000
778	A	778	LYS	1	0.909	0.952	50.242	-0.026	-0.026	0.000	0.000	0.000	0.000
779	A	779	PHE	0	-0.014	0.001	45.452	0.001	0.001	0.000	0.000	0.000	0.000
780	A	780	ARG	1	0.847	0.901	45.842	-0.037	-0.037	0.000	0.000	0.000	0.000
781	A	781	GLU	-1	-0.889	-0.923	49.813	0.028	0.028	0.000	0.000	0.000	0.000
782	A	782	ALA	0	0.032	0.015	53.020	0.001	0.001	0.000	0.000	0.000	0.000
783	A	783	VAL	0	0.042	0.021	48.882	0.000	0.000	0.000	0.000	0.000	0.000
784	A	784	LYS	1	0.821	0.915	51.707	-0.030	-0.030	0.000	0.000	0.000	0.000
785	A	785	ALA	0	0.019	0.008	52.975	0.000	0.000	0.000	0.000	0.000	0.000
786	A	786	ALA	0	0.009	0.010	54.943	0.000	0.000	0.000	0.000	0.000	0.000
787	A	787	SER	0	0.004	0.011	52.638	0.001	0.001	0.000	0.000	0.000	0.000
788	A	788	ASP	-1	-0.839	-0.937	54.769	0.037	0.037	0.000	0.000	0.000	0.000
789	A	789	GLU	-1	-0.872	-0.908	57.367	0.030	0.030	0.000	0.000	0.000	0.000
790	A	790	LEU	0	0.005	0.002	54.722	0.000	0.000	0.000	0.000	0.000	0.000
791	A	791	SER	0	-0.049	-0.038	56.834	0.000	0.000	0.000	0.000	0.000	0.000
792	A	792	LYS	1	0.840	0.911	58.455	-0.031	-0.031	0.000	0.000	0.000	0.000
793	A	793	THR	0	-0.024	-0.008	60.734	-0.001	-0.001	0.000	0.000	0.000	0.000
794	A	794	ILE	0	-0.017	0.006	57.583	0.000	0.000	0.000	0.000	0.000	0.000
795	A	795	SER	0	0.019	-0.005	61.168	0.000	0.000	0.000	0.000	0.000	0.000
796	A	796	PRO	0	0.023	0.007	63.598	0.000	0.000	0.000	0.000	0.000	0.000
797	A	797	MET	0	0.061	0.062	61.585	0.000	0.000	0.000	0.000	0.000	0.000
798	A	798	VAL	0	0.033	0.007	61.168	0.000	0.000	0.000	0.000	0.000	0.000
799	A	799	MET	0	-0.093	-0.029	64.604	0.000	0.000	0.000	0.000	0.000	0.000
800	A	800	ASP	-1	-0.797	-0.888	68.038	0.033	0.033	0.000	0.000	0.000	0.000
801	A	801	ALA	0	-0.017	-0.022	66.236	0.000	0.000	0.000	0.000	0.000	0.000
802	A	802	LYS	1	0.849	0.911	64.898	-0.039	-0.039	0.000	0.000	0.000	0.000
803	A	803	ALA	0	0.004	0.014	69.657	0.000	0.000	0.000	0.000	0.000	0.000
804	A	804	VAL	0	-0.014	-0.016	70.860	0.000	0.000	0.000	0.000	0.000	0.000
805	A	805	ALA	0	-0.026	-0.011	69.359	0.000	0.000	0.000	0.000	0.000	0.000
806	A	806	GLY	0	0.002	0.015	71.290	0.000	0.000	0.000	0.000	0.000	0.000
807	A	807	ASN	0	-0.043	-0.036	74.935	0.000	0.000	0.000	0.000	0.000	0.000
808	A	808	ILE	0	-0.006	0.016	71.041	0.000	0.000	0.000	0.000	0.000	0.000
809	A	809	SER	0	0.024	0.003	74.837	0.001	0.001	0.000	0.000	0.000	0.000
810	A	810	ASP	-1	-0.868	-0.916	77.672	0.028	0.028	0.000	0.000	0.000	0.000
811	A	811	PRO	0	-0.005	-0.016	77.748	0.001	0.001	0.000	0.000	0.000	0.000
812	A	812	GLY	0	0.044	0.039	78.602	0.000	0.000	0.000	0.000	0.000	0.000
813	A	813	LEU	0	0.027	0.010	75.326	0.001	0.001	0.000	0.000	0.000	0.000
814	A	814	GLN	0	0.033	-0.004	73.288	0.000	0.000	0.000	0.000	0.000	0.000
815	A	815	LYS	1	0.832	0.909	72.563	-0.031	-0.031	0.000	0.000	0.000	0.000
816	A	816	SER	0	0.039	0.018	73.028	0.000	0.000	0.000	0.000	0.000	0.000
817	A	817	PHE	0	0.033	0.016	65.524	0.001	0.001	0.000	0.000	0.000	0.000
818	A	818	LEU	0	-0.035	-0.019	68.308	0.001	0.001	0.000	0.000	0.000	0.000
819	A	819	ASP	-1	-0.852	-0.881	68.495	0.032	0.032	0.000	0.000	0.000	0.000
820	A	820	SER	0	-0.008	-0.031	66.935	0.000	0.000	0.000	0.000	0.000	0.000
821	A	821	GLY	0	0.019	0.009	64.495	0.001	0.001	0.000	0.000	0.000	0.000
822	A	822	TYR	0	-0.022	-0.033	63.863	0.002	0.002	0.000	0.000	0.000	0.000
823	A	823	ARG	1	0.830	0.892	64.695	-0.032	-0.032	0.000	0.000	0.000	0.000
824	A	824	ILE	0	0.029	0.016	59.247	0.000	0.000	0.000	0.000	0.000	0.000
825	A	825	LEU	0	-0.023	-0.007	59.536	0.001	0.001	0.000	0.000	0.000	0.000
826	A	826	GLY	0	0.028	0.014	60.402	0.000	0.000	0.000	0.000	0.000	0.000
827	A	827	ALA	0	-0.014	-0.003	59.831	-0.001	-0.001	0.000	0.000	0.000	0.000
828	A	828	VAL	0	0.014	-0.010	55.580	0.000	0.000	0.000	0.000	0.000	0.000
829	A	829	ALA	0	0.042	0.040	55.806	0.001	0.001	0.000	0.000	0.000	0.000
830	A	830	LYS	1	0.843	0.904	57.002	-0.032	-0.032	0.000	0.000	0.000	0.000
831	A	831	VAL	0	-0.041	-0.033	52.513	-0.001	-0.001	0.000	0.000	0.000	0.000
832	A	832	ARG	1	0.789	0.871	52.357	-0.047	-0.047	0.000	0.000	0.000	0.000
833	A	833	GLU	-1	-0.789	-0.902	52.505	0.043	0.043	0.000	0.000	0.000	0.000
834	A	834	ALA	0	-0.082	-0.024	52.709	-0.001	-0.001	0.000	0.000	0.000	0.000
835	A	835	PHE	0	-0.028	-0.028	47.262	0.001	0.001	0.000	0.000	0.000	0.000
836	A	836	GLN	0	-0.031	-0.008	48.748	0.004	0.004	0.000	0.000	0.000	0.000
837	A	837	PRO	0	-0.046	-0.015	47.717	-0.001	-0.001	0.000	0.000	0.000	0.000
838	A	838	GLN	0	-0.028	-0.021	49.356	-0.004	-0.004	0.000	0.000	0.000	0.000
839	A	839	GLU	-1	-0.869	-0.938	51.132	0.033	0.033	0.000	0.000	0.000	0.000
840	A	840	PRO	0	-0.062	-0.031	51.492	-0.001	-0.001	0.000	0.000	0.000	0.000
841	A	841	ASP	-1	-0.868	-0.910	52.676	0.017	0.017	0.000	0.000	0.000	0.000
842	A	842	PHE	0	-0.045	-0.036	54.310	0.000	0.000	0.000	0.000	0.000	0.000
843	A	843	PRO	0	-0.078	-0.031	53.304	-0.003	-0.003	0.000	0.000	0.000	0.000
844	A	877	PRO	0	0.019	-0.013	47.515	0.000	0.000	0.000	0.000	0.000	0.000
845	A	878	PRO	0	-0.039	-0.017	49.800	0.002	0.002	0.000	0.000	0.000	0.000
846	A	879	GLU	-1	-0.841	-0.896	45.377	-0.003	-0.003	0.000	0.000	0.000	0.000
847	A	880	GLU	-1	-0.765	-0.868	39.848	0.017	0.017	0.000	0.000	0.000	0.000
848	A	881	LYS	1	0.806	0.888	41.131	0.007	0.007	0.000	0.000	0.000	0.000
849	A	882	ASP	-1	-0.801	-0.879	35.979	0.017	0.017	0.000	0.000	0.000	0.000
850	A	883	GLU	-1	-0.926	-0.957	33.958	-0.005	-0.005	0.000	0.000	0.000	0.000
851	A	884	GLU	-1	-0.795	-0.867	34.047	0.041	0.041	0.000	0.000	0.000	0.000
852	A	885	PHE	0	0.014	0.003	25.793	-0.006	-0.006	0.000	0.000	0.000	0.000
853	A	886	PRO	0	0.023	0.018	28.526	0.004	0.004	0.000	0.000	0.000	0.000
854	A	887	GLU	-1	-0.815	-0.900	28.914	0.074	0.074	0.000	0.000	0.000	0.000
855	A	888	GLN	0	-0.014	-0.005	29.681	0.002	0.002	0.000	0.000	0.000	0.000
856	A	889	LYS	1	0.844	0.903	28.565	-0.015	-0.015	0.000	0.000	0.000	0.000
857	A	890	ALA	0	0.014	0.009	29.867	0.000	0.000	0.000	0.000	0.000	0.000
858	A	891	GLY	0	0.052	0.040	28.673	-0.001	-0.001	0.000	0.000	0.000	0.000
859	A	892	GLU	-1	-0.874	-0.941	25.801	-0.001	-0.001	0.000	0.000	0.000	0.000
860	A	893	VAL	0	0.000	0.016	20.464	0.020	0.020	0.000	0.000	0.000	0.000
861	A	894	ILE	0	-0.012	-0.019	20.891	-0.004	-0.004	0.000	0.000	0.000	0.000
862	A	895	ASN	0	-0.011	-0.022	14.846	0.045	0.045	0.000	0.000	0.000	0.000
863	A	896	GLN	0	0.076	0.027	19.100	-0.005	-0.005	0.000	0.000	0.000	0.000
864	A	897	PRO	0	0.007	0.002	16.447	-0.008	-0.008	0.000	0.000	0.000	0.000
865	A	898	MET	0	0.031	0.035	15.455	0.017	0.017	0.000	0.000	0.000	0.000
866	A	899	MET	0	-0.017	0.010	18.543	-0.021	-0.021	0.000	0.000	0.000	0.000
867	A	900	MET	0	-0.003	0.007	21.850	-0.020	-0.020	0.000	0.000	0.000	0.000
868	A	901	ALA	0	0.018	0.017	19.314	-0.006	-0.006	0.000	0.000	0.000	0.000
869	A	902	ALA	0	0.007	-0.012	21.299	-0.012	-0.012	0.000	0.000	0.000	0.000
870	A	903	ARG	1	0.841	0.914	23.038	-0.121	-0.121	0.000	0.000	0.000	0.000
871	A	904	GLN	0	0.011	-0.001	23.621	0.004	0.004	0.000	0.000	0.000	0.000
872	A	905	LEU	0	-0.039	-0.012	22.880	-0.003	-0.003	0.000	0.000	0.000	0.000
873	A	906	HIS	0	0.022	0.005	25.837	-0.008	-0.008	0.000	0.000	0.000	0.000
874	A	907	ASP	-1	-0.861	-0.942	28.701	0.100	0.100	0.000	0.000	0.000	0.000
875	A	908	GLU	-1	-0.852	-0.898	28.471	0.116	0.116	0.000	0.000	0.000	0.000
876	A	909	ALA	0	0.014	-0.010	29.714	-0.006	-0.006	0.000	0.000	0.000	0.000
877	A	910	ARG	1	0.844	0.887	31.554	-0.049	-0.049	0.000	0.000	0.000	0.000
878	A	911	LYS	1	0.826	0.908	32.267	-0.100	-0.100	0.000	0.000	0.000	0.000
879	A	912	TRP	0	-0.033	-0.003	33.772	-0.004	-0.004	0.000	0.000	0.000	0.000
880	A	913	SER	0	0.048	0.033	37.015	-0.003	-0.003	0.000	0.000	0.000	0.000
881	A	914	SER	0	-0.027	-0.053	35.141	0.003	0.003	0.000	0.000	0.000	0.000
882	A	915	LYN	0	-0.050	0.004	37.017	-0.005	-0.005	0.000	0.000	0.000	0.000
883	A	916	GLY	0	0.045	0.029	40.069	0.003	0.003	0.000	0.000	0.000	0.000
884	A	917	ASN	0	-0.011	-0.030	34.844	0.002	0.002	0.000	0.000	0.000	0.000
885	A	918	ASP	-1	-0.752	-0.880	33.159	-0.015	-0.015	0.000	0.000	0.000	0.000
886	A	919	ILE	0	-0.008	0.006	29.531	-0.003	-0.003	0.000	0.000	0.000	0.000
887	A	920	ILE	0	0.003	0.011	30.235	0.002	0.002	0.000	0.000	0.000	0.000
888	A	921	ALA	0	-0.001	-0.001	31.829	0.000	0.000	0.000	0.000	0.000	0.000
889	A	922	ALA	0	-0.020	-0.014	27.785	-0.003	-0.003	0.000	0.000	0.000	0.000
890	A	923	ALA	0	-0.002	0.002	26.834	-0.003	-0.003	0.000	0.000	0.000	0.000
891	A	924	LYS	1	0.816	0.879	27.206	-0.022	-0.022	0.000	0.000	0.000	0.000
892	A	925	ARG	1	0.845	0.909	28.147	0.041	0.041	0.000	0.000	0.000	0.000
893	A	926	MET	0	0.016	0.008	22.989	0.001	0.001	0.000	0.000	0.000	0.000
894	A	927	ALA	0	0.011	0.015	23.464	0.001	0.001	0.000	0.000	0.000	0.000
895	A	928	LEU	0	-0.012	-0.005	24.920	0.004	0.004	0.000	0.000	0.000	0.000
896	A	929	LEU	0	0.012	0.009	22.921	-0.003	-0.003	0.000	0.000	0.000	0.000
897	A	930	MET	0	0.003	-0.004	16.566	-0.016	-0.016	0.000	0.000	0.000	0.000
898	A	931	ALA	0	0.008	0.006	21.089	0.009	0.009	0.000	0.000	0.000	0.000
899	A	932	GLU	-1	-0.911	-0.932	22.876	-0.108	-0.108	0.000	0.000	0.000	0.000
900	A	933	MET	0	0.060	0.009	14.478	0.001	0.001	0.000	0.000	0.000	0.000
901	A	934	SER	0	-0.050	-0.032	18.166	-0.001	-0.001	0.000	0.000	0.000	0.000
902	A	935	ARG	1	0.822	0.904	19.650	0.020	0.020	0.000	0.000	0.000	0.000
903	A	936	LEU	0	0.006	0.006	18.735	-0.005	-0.005	0.000	0.000	0.000	0.000
904	A	937	VAL	0	0.002	0.014	13.273	-0.039	-0.039	0.000	0.000	0.000	0.000
905	A	938	ARG	1	0.838	0.916	14.595	-0.122	-0.122	0.000	0.000	0.000	0.000
906	A	939	GLY	0	0.056	0.024	17.112	-0.030	-0.030	0.000	0.000	0.000	0.000
907	A	940	GLY	0	-0.005	-0.007	18.071	0.036	0.036	0.000	0.000	0.000	0.000
908	A	941	SER	0	-0.004	0.005	21.157	-0.024	-0.024	0.000	0.000	0.000	0.000
909	A	942	GLY	0	0.018	0.016	23.271	0.013	0.013	0.000	0.000	0.000	0.000
910	A	943	THR	0	0.012	-0.008	18.271	-0.009	-0.009	0.000	0.000	0.000	0.000
911	A	944	LYS	1	0.783	0.896	16.813	0.290	0.290	0.000	0.000	0.000	0.000
912	A	945	ARG	1	0.847	0.905	18.296	0.199	0.199	0.000	0.000	0.000	0.000
913	A	946	ALA	0	0.028	0.015	20.870	-0.004	-0.004	0.000	0.000	0.000	0.000
914	A	947	LEU	0	-0.007	0.001	13.909	0.017	0.017	0.000	0.000	0.000	0.000
915	A	948	ILE	0	0.036	0.013	16.253	-0.003	-0.003	0.000	0.000	0.000	0.000
916	A	949	GLN	0	-0.011	-0.008	18.087	0.006	0.006	0.000	0.000	0.000	0.000
917	A	950	CYS	0	-0.030	-0.016	19.484	0.022	0.022	0.000	0.000	0.000	0.000
918	A	951	ALA	0	0.004	0.000	16.280	0.029	0.029	0.000	0.000	0.000	0.000
919	A	952	LYS	1	0.814	0.898	18.173	0.207	0.207	0.000	0.000	0.000	0.000
920	A	953	ASP	-1	-0.802	-0.895	20.658	-0.131	-0.131	0.000	0.000	0.000	0.000
921	A	954	ILE	0	-0.018	-0.008	18.747	0.026	0.026	0.000	0.000	0.000	0.000
922	A	955	ALA	0	0.006	-0.001	18.640	0.025	0.025	0.000	0.000	0.000	0.000
923	A	956	LYS	1	0.819	0.902	20.489	0.143	0.143	0.000	0.000	0.000	0.000
924	A	957	ALA	0	0.010	0.003	23.954	0.014	0.014	0.000	0.000	0.000	0.000
925	A	958	SER	0	0.038	0.005	19.807	0.017	0.017	0.000	0.000	0.000	0.000
926	A	959	ASP	-1	-0.848	-0.895	22.686	-0.115	-0.115	0.000	0.000	0.000	0.000
927	A	960	GLU	-1	-0.826	-0.874	24.634	-0.035	-0.035	0.000	0.000	0.000	0.000
928	A	961	VAL	0	0.030	0.000	25.196	0.008	0.008	0.000	0.000	0.000	0.000
929	A	962	THR	0	-0.024	-0.024	23.592	0.015	0.015	0.000	0.000	0.000	0.000
930	A	963	ARG	1	0.788	0.882	26.020	0.036	0.036	0.000	0.000	0.000	0.000
931	A	964	LEU	0	-0.045	-0.019	29.245	0.003	0.003	0.000	0.000	0.000	0.000
932	A	965	ALA	0	0.035	0.015	27.991	0.004	0.004	0.000	0.000	0.000	0.000
933	A	966	LYS	1	0.959	0.974	24.657	0.015	0.015	0.000	0.000	0.000	0.000
934	A	967	GLU	-1	-0.870	-0.922	30.716	0.002	0.002	0.000	0.000	0.000	0.000
935	A	968	VAL	0	-0.003	0.003	33.210	0.003	0.003	0.000	0.000	0.000	0.000
936	A	969	ALA	0	0.006	-0.001	31.700	0.004	0.004	0.000	0.000	0.000	0.000
937	A	970	LYS	1	0.881	0.943	33.742	-0.007	-0.007	0.000	0.000	0.000	0.000
938	A	971	GLN	0	-0.023	-0.028	36.520	0.004	0.004	0.000	0.000	0.000	0.000
939	A	972	CYS	0	-0.056	0.013	36.795	0.003	0.003	0.000	0.000	0.000	0.000
940	A	973	THR	0	-0.033	-0.031	38.757	0.001	0.001	0.000	0.000	0.000	0.000
941	A	974	ASP	-1	-0.756	-0.886	38.223	0.070	0.070	0.000	0.000	0.000	0.000
942	A	975	LYS	1	0.849	0.926	36.538	-0.045	-0.045	0.000	0.000	0.000	0.000
943	A	976	ARG	1	0.806	0.898	34.426	-0.084	-0.084	0.000	0.000	0.000	0.000
944	A	977	ILE	0	0.016	0.019	33.068	0.007	0.007	0.000	0.000	0.000	0.000
945	A	978	ARG	1	0.803	0.863	32.376	-0.036	-0.036	0.000	0.000	0.000	0.000
946	A	979	THR	0	-0.050	-0.038	29.570	-0.002	-0.002	0.000	0.000	0.000	0.000
947	A	980	ASN	0	-0.046	-0.030	28.509	0.017	0.017	0.000	0.000	0.000	0.000
948	A	981	LEU	0	0.021	0.001	27.413	0.008	0.008	0.000	0.000	0.000	0.000
949	A	982	LEU	0	-0.010	-0.002	27.033	-0.001	-0.001	0.000	0.000	0.000	0.000
950	A	983	GLN	0	-0.003	0.009	23.732	0.015	0.015	0.000	0.000	0.000	0.000
951	A	984	VAL	0	-0.038	-0.014	22.888	0.030	0.030	0.000	0.000	0.000	0.000
952	A	985	CYS	0	-0.087	-0.054	22.314	-0.008	-0.008	0.000	0.000	0.000	0.000
953	A	986	GLU	-1	-0.894	-0.948	20.005	0.164	0.164	0.000	0.000	0.000	0.000
954	A	987	ARG	1	0.887	0.943	18.021	-0.244	-0.244	0.000	0.000	0.000	0.000
955	A	988	ILE	0	-0.022	-0.009	17.300	-0.006	-0.006	0.000	0.000	0.000	0.000
956	A	989	PRO	0	0.003	0.001	17.977	-0.020	-0.020	0.000	0.000	0.000	0.000
957	A	990	THR	0	0.035	0.017	12.837	-0.045	-0.045	0.000	0.000	0.000	0.000
958	A	991	ILE	0	-0.021	-0.002	13.367	-0.044	-0.044	0.000	0.000	0.000	0.000
959	A	992	SER	0	-0.031	-0.023	13.740	-0.051	-0.051	0.000	0.000	0.000	0.000
960	A	993	THR	0	-0.028	-0.017	12.746	-0.084	-0.084	0.000	0.000	0.000	0.000
961	A	994	GLN	0	0.054	0.031	9.440	0.003	0.003	0.000	0.000	0.000	0.000
962	A	995	LEU	0	-0.031	0.001	10.515	-0.163	-0.163	0.000	0.000	0.000	0.000
963	A	996	LYS	1	0.862	0.913	12.784	0.317	0.317	0.000	0.000	0.000	0.000
964	A	997	ILE	0	0.026	0.034	8.545	-0.104	-0.104	0.000	0.000	0.000	0.000
965	A	998	LEU	0	-0.009	-0.008	6.086	-0.236	-0.236	0.000	0.000	0.000	0.000
966	A	999	SER	0	-0.066	-0.036	9.129	-0.038	-0.038	0.000	0.000	0.000	0.000
967	A	1000	THR	0	-0.010	-0.015	11.992	0.043	0.043	0.000	0.000	0.000	0.000
968	A	1001	VAL	0	0.004	-0.006	5.725	0.007	0.007	0.000	0.000	0.000	0.000
969	A	1002	LYS	1	0.887	0.939	9.144	0.307	0.307	0.000	0.000	0.000	0.000
970	A	1003	ALA	0	-0.002	-0.002	10.517	0.104	0.104	0.000	0.000	0.000	0.000
971	A	1004	THR	0	-0.033	-0.025	10.083	0.072	0.072	0.000	0.000	0.000	0.000
972	A	1005	MET	0	-0.044	-0.004	5.201	0.181	0.181	0.000	0.000	0.000	0.000
973	A	1006	LEU	0	-0.037	-0.013	11.347	0.117	0.117	0.000	0.000	0.000	0.000
974	A	1007	GLY	0	0.013	-0.006	14.411	0.072	0.072	0.000	0.000	0.000	0.000
975	A	1008	ARG	1	0.883	0.955	12.813	0.479	0.479	0.000	0.000	0.000	0.000
976	A	1009	THR	0	-0.007	-0.005	15.618	0.025	0.025	0.000	0.000	0.000	0.000
977	A	1010	ASN	0	-0.090	-0.056	16.569	0.000	0.000	0.000	0.000	0.000	0.000
978	A	1011	ILE	0	0.008	-0.001	14.881	0.033	0.033	0.000	0.000	0.000	0.000
979	A	1012	SER	0	-0.004	0.005	12.095	-0.062	-0.062	0.000	0.000	0.000	0.000
980	A	1013	ASP	-1	-0.854	-0.901	8.421	-0.365	-0.365	0.000	0.000	0.000	0.000
981	A	1014	GLU	-1	-0.814	-0.917	6.777	1.376	1.376	0.000	0.000	0.000	0.000
982	A	1015	GLU	-1	-0.825	-0.894	1.920	-9.749	-12.098	7.950	-2.896	-2.705	-0.038
983	A	1016	SER	0	-0.022	-0.048	4.933	-0.211	-0.180	-0.001	0.000	-0.030	0.000
984	A	1017	GLU	-1	-0.955	-0.957	8.015	0.801	0.801	0.000	0.000	0.000	0.000
985	A	1018	GLN	0	0.063	0.013	2.128	-3.275	-1.657	4.474	-2.960	-3.133	-0.023
986	A	1019	ALA	0	0.041	0.016	4.889	-0.180	-0.180	0.000	0.000	0.000	0.000
987	A	1020	THR	0	-0.069	-0.046	5.568	-0.074	-0.074	0.000	0.000	0.000	0.000
988	A	1021	GLU	-1	-0.840	-0.894	7.481	1.883	1.883	0.000	0.000	0.000	0.000
989	A	1022	MET	0	-0.025	-0.012	2.964	-1.549	-0.652	1.202	-0.527	-1.572	-0.001
990	A	1023	LEU	0	-0.005	0.005	7.134	-0.062	-0.062	0.000	0.000	0.000	0.000
991	A	1024	VAL	0	-0.007	-0.009	10.169	0.002	0.002	0.000	0.000	0.000	0.000
992	A	1025	HIS	1	0.896	0.962	9.418	-1.008	-1.008	0.000	0.000	0.000	0.000
993	A	1026	ASN	0	0.048	0.006	9.089	0.073	0.073	0.000	0.000	0.000	0.000
994	A	1027	ALA	0	0.004	0.004	11.932	-0.047	-0.047	0.000	0.000	0.000	0.000
995	A	1028	GLN	0	-0.027	-0.032	14.650	0.044	0.044	0.000	0.000	0.000	0.000
996	A	1029	ASN	0	-0.007	-0.008	11.492	0.007	0.007	0.000	0.000	0.000	0.000
997	A	1030	LEU	0	-0.003	0.016	15.710	-0.025	-0.025	0.000	0.000	0.000	0.000
998	A	1031	MET	0	-0.009	-0.002	17.957	-0.019	-0.019	0.000	0.000	0.000	0.000
999	A	1032	GLN	0	-0.002	0.020	19.403	-0.014	-0.014	0.000	0.000	0.000	0.000
1000	A	1033	SER	0	0.021	-0.007	18.671	-0.012	-0.012	0.000	0.000	0.000	0.000
1001	A	1034	VAL	0	0.035	0.013	21.399	-0.020	-0.020	0.000	0.000	0.000	0.000
1002	A	1035	LYS	1	0.837	0.917	23.171	-0.206	-0.206	0.000	0.000	0.000	0.000
1003	A	1036	GLU	-1	-0.835	-0.901	23.108	0.230	0.230	0.000	0.000	0.000	0.000
1004	A	1037	THR	0	-0.005	-0.014	24.694	-0.012	-0.012	0.000	0.000	0.000	0.000
1005	A	1038	VAL	0	-0.016	-0.009	27.275	-0.010	-0.010	0.000	0.000	0.000	0.000
1006	A	1039	ARG	1	0.850	0.919	28.887	-0.138	-0.138	0.000	0.000	0.000	0.000
1007	A	1040	GLU	-1	-0.814	-0.905	29.747	0.105	0.105	0.000	0.000	0.000	0.000
1008	A	1041	ALA	0	-0.016	-0.009	31.398	-0.008	-0.008	0.000	0.000	0.000	0.000
1009	A	1042	GLU	-1	-0.780	-0.861	33.089	0.064	0.064	0.000	0.000	0.000	0.000
1010	A	1043	ALA	0	-0.002	0.006	34.458	-0.005	-0.005	0.000	0.000	0.000	0.000
1011	A	1044	ALA	0	0.027	-0.006	34.850	-0.003	-0.003	0.000	0.000	0.000	0.000
1012	A	1045	SER	0	-0.067	-0.041	36.757	-0.007	-0.007	0.000	0.000	0.000	0.000
1013	A	1046	ILE	0	0.013	0.003	39.290	-0.004	-0.004	0.000	0.000	0.000	0.000
1014	A	1047	LYS	1	0.886	0.926	39.854	-0.057	-0.057	0.000	0.000	0.000	0.000
1015	A	1048	ILE	0	-0.007	0.038	39.710	-0.001	-0.001	0.000	0.000	0.000	0.000
1016	A	1049	ARG	1	0.844	0.870	42.311	-0.026	-0.026	0.000	0.000	0.000	0.000
1017	A	1050	THR	0	-0.070	-0.033	45.741	-0.001	-0.001	0.000	0.000	0.000	0.000
1018	A	1051	ASP	-1	-0.910	-0.958	45.096	0.015	0.015	0.000	0.000	0.000	0.000
1019	A	1052	ALA	0	0.007	0.023	44.163	-0.002	-0.002	0.000	0.000	0.000	0.000
1020	A	1053	GLY	0	0.011	0.014	41.541	-0.004	-0.004	0.000	0.000	0.000	0.000
1021	A	1054	PHE	0	-0.031	-0.026	42.494	0.003	0.003	0.000	0.000	0.000	0.000
1022	A	1055	THR	0	0.072	0.046	39.421	-0.001	-0.001	0.000	0.000	0.000	0.000
1023	A	1056	LEU	0	-0.039	-0.006	34.078	-0.003	-0.003	0.000	0.000	0.000	0.000
1024	A	1057	ARG	1	0.890	0.933	38.621	-0.012	-0.012	0.000	0.000	0.000	0.000
1025	A	1058	TRP	0	0.033	0.021	33.097	0.000	0.000	0.000	0.000	0.000	0.000
1026	A	1059	VAL	0	0.031	0.018	39.788	0.002	0.002	0.000	0.000	0.000	0.000
1027	A	1060	ARG	1	0.823	0.885	36.864	-0.066	-0.066	0.000	0.000	0.000	0.000
1028	A	1061	LYS	1	0.770	0.870	38.038	-0.027	-0.027	0.000	0.000	0.000	0.000

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