FMO DATABASE

FMODB ID: R9238

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	OptH
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	-29497818.217819
FMO2-HF: Nuclear repulsion	29097978.040216
FMO2-HF: Total energy	-399840.177603
FMO2-MP2: Total energy	-400993.111368

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.
-12.998	-6.543	17.855	-9.582	-14.73	-0.061

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 : 0.038 / q_NPA : 0.010

Distance from base fragment(s) [Å]

Dist

Interaction energy by IFIE and PIEDA
[kcal/mol]

| Total | > | ES | > | EX | >
| CT+mix | > | DI(MP2) | >

Fragment charge [e]

FCHARGE q_Mulliken
q_NPA q(I=>J)

Residue

Res # RES

Sort

Graph Options

X Axis Label
Y Axis Max Y Axis Min
Display ES EX CT+mix DI(MP2)

frag_NumFragment number.	ChainChain species.	Res #Residue number.	RES3-letter code of amino acid residue, ligand and solvent molecule.	FCHARGEFormal charge [e].	q_MullikenFragment charge evaluated by Mulliken charge [e].	q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e].	DISTDistance from Ligand [Å].	TotalIFIE at MP2 level [kcal/mol].	ESElectro static interaction energy by PIEDA [kcal/mol].	EXExchange-repulsion energy by PIEDA [kcal/mol].	CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol].	DI(MP2)Dispersion energy by PIEDA [kcal/mol].	q(I=>J)Charge transfer value from I to J fragmens [e].
3	A	3	VAL	0	0.031	0.010	2.475	-1.389	1.685	3.497	-2.237	-4.335	-0.005
4	A	4	PHE	0	-0.002	-0.033	3.980	-0.530	-0.315	0.003	-0.052	-0.166	0.000
5	A	5	HIS	0	0.018	0.037	7.192	0.189	0.189	0.000	0.000	0.000	0.000
6	A	6	THR	0	-0.015	-0.016	8.938	-0.028	-0.028	0.000	0.000	0.000	0.000
7	A	7	ARG	1	1.008	0.996	11.707	-0.071	-0.071	0.000	0.000	0.000	0.000
8	A	8	THR	0	0.048	0.026	13.771	-0.045	-0.045	0.000	0.000	0.000	0.000
9	A	9	ILE	0	0.004	0.009	7.591	-0.063	-0.063	0.000	0.000	0.000	0.000
10	A	10	GLU	-1	-0.855	-0.937	11.364	-0.378	-0.378	0.000	0.000	0.000	0.000
11	A	11	SER	0	-0.054	-0.025	12.122	-0.019	-0.019	0.000	0.000	0.000	0.000
12	A	12	ILE	0	-0.058	-0.030	13.663	0.013	0.013	0.000	0.000	0.000	0.000
13	A	13	LEU	0	-0.019	-0.020	9.024	-0.046	-0.046	0.000	0.000	0.000	0.000
14	A	14	GLU	-1	-0.894	-0.959	12.391	-0.595	-0.595	0.000	0.000	0.000	0.000
15	A	15	PRO	0	-0.004	0.011	14.549	0.005	0.005	0.000	0.000	0.000	0.000
16	A	16	VAL	0	0.018	0.007	12.578	0.020	0.020	0.000	0.000	0.000	0.000
17	A	17	ALA	0	-0.002	-0.010	12.045	-0.005	-0.005	0.000	0.000	0.000	0.000
18	A	18	GLN	0	0.029	0.013	13.726	0.048	0.048	0.000	0.000	0.000	0.000
19	A	19	GLN	0	0.013	0.047	17.373	0.016	0.016	0.000	0.000	0.000	0.000
20	A	20	ILE	0	-0.004	-0.007	12.486	0.053	0.053	0.000	0.000	0.000	0.000
21	A	21	SER	0	-0.063	-0.067	16.223	0.050	0.050	0.000	0.000	0.000	0.000
22	A	22	HIS	0	0.068	-0.024	17.176	0.053	0.053	0.000	0.000	0.000	0.000
23	A	23	LEU	0	-0.054	-0.036	17.954	0.044	0.044	0.000	0.000	0.000	0.000
24	A	24	VAL	0	-0.017	-0.002	15.472	0.008	0.008	0.000	0.000	0.000	0.000
25	A	25	ILE	0	-0.005	0.032	18.546	0.038	0.038	0.000	0.000	0.000	0.000
26	A	26	MET	0	0.041	0.029	21.556	0.034	0.034	0.000	0.000	0.000	0.000
27	A	27	HIS	1	0.873	0.917	18.951	0.480	0.480	0.000	0.000	0.000	0.000
28	A	28	GLU	-1	-0.876	-0.939	19.931	-0.346	-0.346	0.000	0.000	0.000	0.000
29	A	29	GLU	-1	-0.927	-0.965	21.965	-0.238	-0.238	0.000	0.000	0.000	0.000
30	A	30	GLY	0	-0.039	-0.023	24.697	0.024	0.024	0.000	0.000	0.000	0.000
31	A	31	GLU	-1	-0.968	-0.972	21.092	-0.320	-0.320	0.000	0.000	0.000	0.000
32	A	32	VAL	0	-0.044	-0.025	23.498	0.016	0.016	0.000	0.000	0.000	0.000
33	A	33	ASP	-1	-0.934	-0.946	26.264	-0.201	-0.201	0.000	0.000	0.000	0.000
34	A	34	GLY	0	-0.030	-0.018	28.772	0.012	0.012	0.000	0.000	0.000	0.000
35	A	35	LYS	1	0.849	0.910	30.527	0.183	0.183	0.000	0.000	0.000	0.000
36	A	36	ALA	0	0.045	0.025	28.197	-0.011	-0.011	0.000	0.000	0.000	0.000
37	A	37	ILE	0	-0.032	0.006	24.196	0.005	0.005	0.000	0.000	0.000	0.000
38	A	38	PRO	0	0.038	0.027	27.111	0.013	0.013	0.000	0.000	0.000	0.000
39	A	39	ASP	-1	-0.832	-0.928	28.621	-0.238	-0.238	0.000	0.000	0.000	0.000
40	A	40	LEU	0	-0.032	-0.053	22.936	-0.007	-0.007	0.000	0.000	0.000	0.000
41	A	41	THR	0	0.032	-0.006	25.615	-0.024	-0.024	0.000	0.000	0.000	0.000
42	A	42	ALA	0	0.038	0.018	27.053	-0.008	-0.008	0.000	0.000	0.000	0.000
43	A	43	PRO	0	-0.012	0.032	23.217	-0.016	-0.016	0.000	0.000	0.000	0.000
44	A	44	VAL	0	0.015	-0.005	20.320	-0.041	-0.041	0.000	0.000	0.000	0.000
45	A	45	ALA	0	0.019	0.026	22.013	-0.019	-0.019	0.000	0.000	0.000	0.000
46	A	46	ALA	0	-0.062	-0.029	22.163	-0.001	-0.001	0.000	0.000	0.000	0.000
47	A	47	VAL	0	0.000	-0.009	16.441	-0.017	-0.017	0.000	0.000	0.000	0.000
48	A	48	GLN	0	0.011	0.017	18.536	-0.029	-0.029	0.000	0.000	0.000	0.000
49	A	49	ALA	0	0.028	-0.003	20.676	-0.013	-0.013	0.000	0.000	0.000	0.000
50	A	50	ALA	0	-0.010	0.006	17.936	0.009	0.009	0.000	0.000	0.000	0.000
51	A	51	VAL	0	0.042	0.007	14.399	-0.001	-0.001	0.000	0.000	0.000	0.000
52	A	52	SER	0	-0.047	0.000	17.218	0.012	0.012	0.000	0.000	0.000	0.000
53	A	53	ASN	0	0.019	-0.010	20.547	0.030	0.030	0.000	0.000	0.000	0.000
54	A	54	LEU	0	0.017	0.034	13.669	0.019	0.019	0.000	0.000	0.000	0.000
55	A	55	VAL	0	0.034	0.004	16.530	0.023	0.023	0.000	0.000	0.000	0.000
56	A	56	ARG	1	0.905	0.954	18.328	0.367	0.367	0.000	0.000	0.000	0.000
57	A	57	VAL	0	0.029	0.005	18.478	0.026	0.026	0.000	0.000	0.000	0.000
58	A	58	GLY	0	0.047	-0.020	17.510	0.022	0.022	0.000	0.000	0.000	0.000
59	A	59	LYS	1	0.911	0.944	18.289	0.445	0.445	0.000	0.000	0.000	0.000
60	A	60	GLU	-1	-0.878	-0.943	21.360	-0.256	-0.256	0.000	0.000	0.000	0.000
61	A	61	THR	0	0.015	0.039	17.936	0.036	0.036	0.000	0.000	0.000	0.000
62	A	62	VAL	0	-0.067	-0.028	17.984	0.025	0.025	0.000	0.000	0.000	0.000
63	A	63	GLN	0	-0.068	-0.031	20.440	0.038	0.038	0.000	0.000	0.000	0.000
64	A	64	THR	0	-0.071	-0.046	24.218	0.024	0.024	0.000	0.000	0.000	0.000
65	A	65	THR	0	-0.029	-0.012	19.950	0.009	0.009	0.000	0.000	0.000	0.000
66	A	66	GLU	-1	-0.922	-0.960	22.995	-0.073	-0.073	0.000	0.000	0.000	0.000
67	A	67	ASP	-1	-0.872	-0.945	16.909	-0.106	-0.106	0.000	0.000	0.000	0.000
68	A	68	GLN	0	0.109	0.034	19.354	-0.023	-0.023	0.000	0.000	0.000	0.000
69	A	69	ILE	0	-0.034	-0.021	13.244	-0.016	-0.016	0.000	0.000	0.000	0.000
70	A	70	LEU	0	0.028	0.032	14.587	-0.049	-0.049	0.000	0.000	0.000	0.000
71	A	71	LYS	1	0.899	0.947	15.922	0.112	0.112	0.000	0.000	0.000	0.000
72	A	72	ARG	1	0.874	0.954	12.622	0.044	0.044	0.000	0.000	0.000	0.000
73	A	73	ASP	-1	-0.832	-0.928	11.354	-0.297	-0.297	0.000	0.000	0.000	0.000
74	A	74	MET	0	0.000	0.043	12.359	-0.095	-0.095	0.000	0.000	0.000	0.000
75	A	75	PRO	0	-0.060	-0.074	14.239	-0.078	-0.078	0.000	0.000	0.000	0.000
76	A	76	PRO	0	-0.020	-0.037	12.653	-0.023	-0.023	0.000	0.000	0.000	0.000
77	A	77	ALA	0	0.052	0.034	11.504	-0.079	-0.079	0.000	0.000	0.000	0.000
78	A	78	PHE	0	-0.065	0.051	12.507	-0.077	-0.077	0.000	0.000	0.000	0.000
79	A	79	ILE	0	0.012	-0.001	14.643	-0.020	-0.020	0.000	0.000	0.000	0.000
80	A	80	LYS	1	0.911	0.973	6.216	2.207	2.207	0.000	0.000	0.000	0.000
81	A	81	VAL	0	0.021	0.012	11.712	-0.016	-0.016	0.000	0.000	0.000	0.000
82	A	82	GLU	-1	-0.839	-0.922	13.629	-0.497	-0.497	0.000	0.000	0.000	0.000
83	A	83	ASN	0	0.011	-0.007	14.844	0.063	0.063	0.000	0.000	0.000	0.000
84	A	84	ALA	0	-0.024	0.001	12.632	0.026	0.026	0.000	0.000	0.000	0.000
85	A	85	CYS	0	-0.022	-0.008	14.669	0.038	0.038	0.000	0.000	0.000	0.000
86	A	86	THR	0	-0.048	-0.023	17.651	0.064	0.064	0.000	0.000	0.000	0.000
87	A	87	LYS	1	0.813	0.973	15.961	0.679	0.679	0.000	0.000	0.000	0.000
88	A	88	LEU	0	-0.014	-0.027	15.852	0.019	0.019	0.000	0.000	0.000	0.000
89	A	89	VAL	0	-0.029	-0.005	19.790	0.036	0.036	0.000	0.000	0.000	0.000
90	A	90	GLN	0	-0.042	-0.016	22.420	0.014	0.014	0.000	0.000	0.000	0.000
91	A	91	ALA	0	0.006	-0.002	20.846	0.027	0.027	0.000	0.000	0.000	0.000
92	A	92	ALA	0	0.041	0.017	22.990	0.022	0.022	0.000	0.000	0.000	0.000
93	A	93	GLN	0	0.046	0.025	25.104	0.018	0.018	0.000	0.000	0.000	0.000
94	A	94	MET	0	-0.047	-0.012	26.437	0.018	0.018	0.000	0.000	0.000	0.000
95	A	95	LEU	0	-0.011	0.013	24.946	0.014	0.014	0.000	0.000	0.000	0.000
96	A	96	GLN	0	-0.002	0.001	27.906	0.005	0.005	0.000	0.000	0.000	0.000
97	A	97	SER	0	-0.094	-0.043	30.644	0.019	0.019	0.000	0.000	0.000	0.000
98	A	98	ASP	-1	-0.909	-0.961	31.343	-0.190	-0.190	0.000	0.000	0.000	0.000
99	A	99	PRO	0	0.046	0.022	29.485	-0.014	-0.014	0.000	0.000	0.000	0.000
100	A	100	TYR	0	-0.045	-0.039	28.308	-0.019	-0.019	0.000	0.000	0.000	0.000
101	A	101	SER	0	0.042	0.025	27.718	-0.002	-0.002	0.000	0.000	0.000	0.000
102	A	102	VAL	0	0.022	-0.016	24.994	-0.023	-0.023	0.000	0.000	0.000	0.000
103	A	103	PRO	0	-0.013	-0.001	23.905	-0.022	-0.022	0.000	0.000	0.000	0.000
104	A	104	ALA	0	0.046	0.033	23.236	-0.025	-0.025	0.000	0.000	0.000	0.000
105	A	105	ARG	1	0.832	0.922	22.134	0.227	0.227	0.000	0.000	0.000	0.000
106	A	106	ASP	-1	-0.801	-0.902	18.897	-0.431	-0.431	0.000	0.000	0.000	0.000
107	A	107	TYR	0	-0.076	-0.077	18.128	-0.049	-0.049	0.000	0.000	0.000	0.000
108	A	108	LEU	0	0.102	0.047	17.659	-0.059	-0.059	0.000	0.000	0.000	0.000
109	A	109	ILE	0	0.082	0.114	14.435	-0.094	-0.094	0.000	0.000	0.000	0.000
110	A	110	ASP	-1	-0.855	-0.941	12.878	-0.823	-0.823	0.000	0.000	0.000	0.000
111	A	111	GLY	0	-0.098	-0.056	12.806	-0.082	-0.082	0.000	0.000	0.000	0.000
112	A	112	SER	0	-0.102	-0.116	13.601	-0.005	-0.005	0.000	0.000	0.000	0.000
113	A	113	ARG	1	1.020	1.004	5.217	2.469	2.469	0.000	0.000	0.000	0.000
114	A	114	GLY	0	-0.037	-0.015	8.415	-0.428	-0.428	0.000	0.000	0.000	0.000
115	A	115	ILE	0	0.017	0.017	9.725	-0.149	-0.149	0.000	0.000	0.000	0.000
116	A	116	LEU	0	0.013	0.021	8.026	-0.076	-0.076	0.000	0.000	0.000	0.000
117	A	117	SER	0	0.032	0.001	4.341	-0.277	-0.218	-0.001	-0.012	-0.046	0.000
118	A	118	GLY	0	0.020	0.018	5.867	-0.029	-0.029	0.000	0.000	0.000	0.000
119	A	119	THR	0	-0.044	-0.045	8.829	0.204	0.204	0.000	0.000	0.000	0.000
120	A	120	SER	0	0.015	0.014	5.215	0.256	0.256	0.000	0.000	0.000	0.000
121	A	121	ASP	-1	-0.862	-0.945	5.316	-3.709	-3.709	0.000	0.000	0.000	0.000
122	A	122	LEU	0	-0.028	0.006	7.185	0.457	0.457	0.000	0.000	0.000	0.000
123	A	123	LEU	0	-0.013	-0.030	9.293	0.223	0.223	0.000	0.000	0.000	0.000
124	A	124	LEU	0	-0.022	0.001	3.417	-0.021	0.263	0.017	-0.050	-0.252	0.000
125	A	125	THR	0	0.006	-0.020	7.375	0.309	0.309	0.000	0.000	0.000	0.000
126	A	126	PHE	0	-0.007	0.003	10.250	0.171	0.171	0.000	0.000	0.000	0.000
127	A	127	ASP	-1	-0.753	-0.864	9.400	0.020	0.020	0.000	0.000	0.000	0.000
128	A	128	GLU	-1	-0.876	-0.938	6.733	-0.361	-0.361	0.000	0.000	0.000	0.000
129	A	129	ALA	0	-0.040	-0.015	10.824	0.099	0.099	0.000	0.000	0.000	0.000
130	A	130	GLU	-1	-0.958	-0.993	14.303	-0.102	-0.102	0.000	0.000	0.000	0.000
131	A	131	VAL	0	0.036	0.003	11.447	0.044	0.044	0.000	0.000	0.000	0.000
132	A	132	ARG	1	0.901	0.971	11.943	0.178	0.178	0.000	0.000	0.000	0.000
133	A	133	LYS	1	0.859	0.919	15.900	0.131	0.131	0.000	0.000	0.000	0.000
134	A	134	ILE	0	0.008	0.027	16.850	0.010	0.010	0.000	0.000	0.000	0.000
135	A	135	ILE	0	0.057	0.014	14.036	0.006	0.006	0.000	0.000	0.000	0.000
136	A	136	ARG	1	0.913	0.965	18.147	0.000	0.000	0.000	0.000	0.000	0.000
137	A	137	VAL	0	-0.014	-0.009	21.166	0.004	0.004	0.000	0.000	0.000	0.000
138	A	138	CYS	0	-0.024	0.000	20.397	0.008	0.008	0.000	0.000	0.000	0.000
139	A	139	LYS	1	0.948	0.973	18.183	-0.227	-0.227	0.000	0.000	0.000	0.000
140	A	140	GLY	0	-0.004	0.021	23.415	-0.003	-0.003	0.000	0.000	0.000	0.000
141	A	141	ILE	0	-0.004	-0.009	26.175	-0.003	-0.003	0.000	0.000	0.000	0.000
142	A	142	LEU	0	-0.020	-0.008	22.912	-0.001	-0.001	0.000	0.000	0.000	0.000
143	A	143	GLU	-1	-0.874	-0.929	26.963	0.117	0.117	0.000	0.000	0.000	0.000
144	A	144	TYR	0	-0.030	-0.034	29.059	-0.007	-0.007	0.000	0.000	0.000	0.000
145	A	145	LEU	0	0.002	-0.011	28.673	-0.007	-0.007	0.000	0.000	0.000	0.000
146	A	146	THR	0	-0.011	0.001	30.832	0.002	0.002	0.000	0.000	0.000	0.000
147	A	147	VAL	0	-0.025	-0.017	32.955	-0.003	-0.003	0.000	0.000	0.000	0.000
148	A	148	ALA	0	-0.001	0.007	35.423	-0.005	-0.005	0.000	0.000	0.000	0.000
149	A	149	GLU	-1	-0.955	-1.036	37.002	0.097	0.097	0.000	0.000	0.000	0.000
150	A	150	VAL	0	-0.008	0.009	38.694	-0.004	-0.004	0.000	0.000	0.000	0.000
151	A	151	VAL	0	-0.014	-0.001	40.387	-0.006	-0.006	0.000	0.000	0.000	0.000
152	A	152	GLU	-1	-0.824	-0.923	42.821	0.067	0.067	0.000	0.000	0.000	0.000
153	A	153	THR	0	-0.081	-0.034	46.302	-0.002	-0.002	0.000	0.000	0.000	0.000
154	A	154	MET	0	0.022	0.005	46.930	0.003	0.003	0.000	0.000	0.000	0.000
155	A	155	GLU	-1	-0.897	-0.970	46.906	0.036	0.036	0.000	0.000	0.000	0.000
156	A	156	ASP	-1	-0.787	-0.883	44.248	0.051	0.051	0.000	0.000	0.000	0.000
157	A	157	LEU	0	-0.005	0.004	42.521	0.002	0.002	0.000	0.000	0.000	0.000
158	A	158	VAL	0	-0.002	-0.011	41.982	0.002	0.002	0.000	0.000	0.000	0.000
159	A	159	THR	0	-0.059	-0.031	40.569	-0.002	-0.002	0.000	0.000	0.000	0.000
160	A	160	TYR	0	0.039	0.022	34.601	0.000	0.000	0.000	0.000	0.000	0.000
161	A	161	THR	0	-0.041	-0.037	37.823	0.001	0.001	0.000	0.000	0.000	0.000
162	A	162	LYS	1	0.928	0.952	38.299	-0.038	-0.038	0.000	0.000	0.000	0.000
163	A	163	ASN	0	-0.035	-0.006	35.798	-0.008	-0.008	0.000	0.000	0.000	0.000
164	A	164	LEU	0	-0.014	-0.002	31.581	0.000	0.000	0.000	0.000	0.000	0.000
165	A	165	GLY	0	0.010	0.016	32.769	0.002	0.002	0.000	0.000	0.000	0.000
166	A	166	PRO	0	0.025	0.016	33.211	0.002	0.002	0.000	0.000	0.000	0.000
167	A	167	GLY	0	0.036	0.028	29.835	-0.001	-0.001	0.000	0.000	0.000	0.000
168	A	168	MET	0	0.027	-0.003	28.406	0.008	0.008	0.000	0.000	0.000	0.000
169	A	169	THR	0	-0.008	-0.001	28.858	0.004	0.004	0.000	0.000	0.000	0.000
170	A	170	LYS	1	0.875	0.940	25.623	-0.020	-0.020	0.000	0.000	0.000	0.000
171	A	171	MET	0	-0.011	-0.007	22.754	-0.006	-0.006	0.000	0.000	0.000	0.000
172	A	172	ALA	0	0.029	-0.003	24.232	0.003	0.003	0.000	0.000	0.000	0.000
173	A	173	LYS	1	0.878	0.941	25.148	0.009	0.009	0.000	0.000	0.000	0.000
174	A	174	MET	0	-0.015	-0.013	21.431	-0.005	-0.005	0.000	0.000	0.000	0.000
175	A	175	ILE	0	-0.015	-0.004	20.117	0.003	0.003	0.000	0.000	0.000	0.000
176	A	176	ASP	-1	-0.882	-0.945	20.785	0.082	0.082	0.000	0.000	0.000	0.000
177	A	177	GLU	-1	-0.836	-0.926	21.911	-0.004	-0.004	0.000	0.000	0.000	0.000
178	A	178	ARG	1	0.862	0.920	11.808	-0.056	-0.056	0.000	0.000	0.000	0.000
179	A	179	GLN	0	-0.004	-0.013	17.306	0.018	0.018	0.000	0.000	0.000	0.000
180	A	180	GLN	0	-0.113	-0.044	18.405	-0.011	-0.011	0.000	0.000	0.000	0.000
181	A	181	GLU	-1	-0.887	-0.950	15.905	-0.091	-0.091	0.000	0.000	0.000	0.000
182	A	182	LEU	0	-0.087	-0.024	12.881	-0.020	-0.020	0.000	0.000	0.000	0.000
183	A	183	THR	0	-0.048	-0.021	11.395	0.027	0.027	0.000	0.000	0.000	0.000
184	A	184	HIS	0	-0.005	0.011	9.231	0.090	0.090	0.000	0.000	0.000	0.000
185	A	185	GLN	0	0.089	0.043	14.209	-0.002	-0.002	0.000	0.000	0.000	0.000
186	A	186	GLU	-1	-0.929	-0.959	15.598	0.475	0.475	0.000	0.000	0.000	0.000
187	A	187	HIS	0	0.018	-0.017	10.400	-0.190	-0.190	0.000	0.000	0.000	0.000
188	A	188	ARG	1	0.852	0.919	15.778	-0.191	-0.191	0.000	0.000	0.000	0.000
189	A	189	VAL	0	-0.046	-0.008	18.512	-0.037	-0.037	0.000	0.000	0.000	0.000
190	A	190	MET	0	-0.040	-0.011	18.101	-0.013	-0.013	0.000	0.000	0.000	0.000
191	A	191	LEU	0	0.041	0.022	16.324	-0.029	-0.029	0.000	0.000	0.000	0.000
192	A	192	VAL	0	0.009	-0.002	19.924	-0.031	-0.031	0.000	0.000	0.000	0.000
193	A	193	ASN	0	-0.030	-0.019	23.181	-0.038	-0.038	0.000	0.000	0.000	0.000
194	A	194	SER	0	0.002	0.011	21.968	-0.005	-0.005	0.000	0.000	0.000	0.000
195	A	195	MET	0	-0.036	-0.009	23.392	-0.019	-0.019	0.000	0.000	0.000	0.000
196	A	196	ASN	0	-0.025	-0.006	25.193	-0.025	-0.025	0.000	0.000	0.000	0.000
197	A	197	THR	0	0.044	0.026	27.485	-0.017	-0.017	0.000	0.000	0.000	0.000
198	A	198	VAL	0	0.002	-0.008	25.635	-0.013	-0.013	0.000	0.000	0.000	0.000
199	A	199	LYS	1	0.910	0.968	28.194	-0.116	-0.116	0.000	0.000	0.000	0.000
200	A	200	GLU	-1	-0.887	-0.964	31.135	0.114	0.114	0.000	0.000	0.000	0.000
201	A	201	LEU	0	-0.035	-0.011	30.905	-0.005	-0.005	0.000	0.000	0.000	0.000
202	A	202	LEU	0	0.017	0.012	33.097	-0.007	-0.007	0.000	0.000	0.000	0.000
203	A	203	PRO	0	-0.033	-0.023	34.571	-0.005	-0.005	0.000	0.000	0.000	0.000
204	A	204	VAL	0	0.038	0.025	36.869	-0.005	-0.005	0.000	0.000	0.000	0.000
205	A	205	LEU	0	-0.021	0.007	34.516	-0.003	-0.003	0.000	0.000	0.000	0.000
206	A	206	ILE	0	0.012	-0.006	37.822	-0.005	-0.005	0.000	0.000	0.000	0.000
207	A	207	SER	0	-0.022	-0.031	40.280	-0.005	-0.005	0.000	0.000	0.000	0.000
208	A	208	ALA	0	0.004	0.005	40.739	-0.003	-0.003	0.000	0.000	0.000	0.000
209	A	209	MET	0	-0.016	-0.017	39.189	-0.002	-0.002	0.000	0.000	0.000	0.000
210	A	210	LYS	1	0.954	0.976	42.809	-0.061	-0.061	0.000	0.000	0.000	0.000
211	A	211	ILE	0	-0.005	0.010	45.901	-0.003	-0.003	0.000	0.000	0.000	0.000
212	A	212	PHE	0	-0.056	-0.017	44.222	-0.001	-0.001	0.000	0.000	0.000	0.000
213	A	213	VAL	0	-0.042	0.001	46.022	-0.002	-0.002	0.000	0.000	0.000	0.000
214	A	214	THR	0	-0.082	-0.057	48.542	-0.004	-0.004	0.000	0.000	0.000	0.000
215	A	215	THR	0	0.035	0.016	50.413	-0.002	-0.002	0.000	0.000	0.000	0.000
216	A	216	LYS	1	0.838	0.911	48.100	-0.063	-0.063	0.000	0.000	0.000	0.000
217	A	217	ASN	0	-0.033	-0.021	50.596	0.001	0.001	0.000	0.000	0.000	0.000
218	A	218	SER	0	-0.027	-0.008	52.924	-0.003	-0.003	0.000	0.000	0.000	0.000
219	A	219	LYS	1	0.867	0.948	54.143	-0.051	-0.051	0.000	0.000	0.000	0.000
220	A	220	ASN	0	0.048	0.000	54.680	0.000	0.000	0.000	0.000	0.000	0.000
221	A	221	GLN	0	-0.048	-0.023	54.289	0.000	0.000	0.000	0.000	0.000	0.000
222	A	222	GLY	0	0.099	0.028	51.669	0.000	0.000	0.000	0.000	0.000	0.000
223	A	223	ILE	0	-0.010	-0.003	47.473	0.003	0.003	0.000	0.000	0.000	0.000
224	A	224	GLU	-1	-0.929	-0.955	47.156	0.076	0.076	0.000	0.000	0.000	0.000
225	A	225	GLU	-1	-0.791	-0.935	45.568	0.095	0.095	0.000	0.000	0.000	0.000
226	A	226	ALA	0	0.002	0.013	44.472	0.003	0.003	0.000	0.000	0.000	0.000
227	A	227	LEU	0	0.012	-0.007	41.471	0.003	0.003	0.000	0.000	0.000	0.000
228	A	228	LYS	1	0.858	0.959	41.126	-0.092	-0.092	0.000	0.000	0.000	0.000
229	A	229	ASN	0	0.084	0.045	39.733	0.006	0.006	0.000	0.000	0.000	0.000
230	A	230	ARG	1	0.886	1.024	38.307	-0.089	-0.089	0.000	0.000	0.000	0.000
231	A	231	ASN	0	0.046	0.009	36.962	0.002	0.002	0.000	0.000	0.000	0.000
232	A	232	PHE	0	-0.011	0.000	35.051	0.010	0.010	0.000	0.000	0.000	0.000
233	A	233	THR	0	-0.016	-0.036	33.930	0.011	0.011	0.000	0.000	0.000	0.000
234	A	234	VAL	0	0.053	0.034	32.038	0.005	0.005	0.000	0.000	0.000	0.000
235	A	235	GLU	-1	-0.871	-0.904	30.625	0.188	0.188	0.000	0.000	0.000	0.000
236	A	236	LYS	1	0.794	0.905	29.197	-0.165	-0.165	0.000	0.000	0.000	0.000
237	A	237	MET	0	0.062	0.041	27.985	0.013	0.013	0.000	0.000	0.000	0.000
238	A	238	SER	0	-0.015	-0.042	26.593	0.008	0.008	0.000	0.000	0.000	0.000
239	A	239	ALA	0	-0.026	-0.010	24.820	0.018	0.018	0.000	0.000	0.000	0.000
240	A	240	GLU	-1	-0.842	-0.927	23.191	0.288	0.288	0.000	0.000	0.000	0.000
241	A	241	ILE	0	-0.012	-0.004	22.078	0.020	0.020	0.000	0.000	0.000	0.000
242	A	242	ASN	0	-0.048	-0.025	20.581	0.017	0.017	0.000	0.000	0.000	0.000
243	A	243	GLU	-1	-0.809	-0.897	18.761	0.538	0.538	0.000	0.000	0.000	0.000
244	A	244	ILE	0	-0.011	-0.019	17.638	0.044	0.044	0.000	0.000	0.000	0.000
245	A	245	ILE	0	-0.049	-0.033	15.996	0.021	0.021	0.000	0.000	0.000	0.000
246	A	246	ARG	1	0.796	0.894	13.774	-0.722	-0.722	0.000	0.000	0.000	0.000
247	A	247	VAL	0	0.017	-0.018	12.978	0.086	0.086	0.000	0.000	0.000	0.000
248	A	248	LEU	0	-0.040	-0.019	12.614	0.045	0.045	0.000	0.000	0.000	0.000
249	A	249	GLN	0	-0.056	-0.027	9.874	-0.060	-0.060	0.000	0.000	0.000	0.000
250	A	250	LEU	0	-0.060	0.005	8.151	0.144	0.144	0.000	0.000	0.000	0.000
251	A	251	THR	0	0.015	-0.012	4.066	-0.751	-0.522	0.003	-0.059	-0.173	0.000
252	A	252	SER	0	0.029	-0.004	4.929	-0.243	-0.060	0.000	-0.036	-0.147	0.000
253	A	253	TRP	0	-0.042	-0.009	6.365	-0.448	-0.448	0.000	0.000	0.000	0.000
254	A	254	ASP	-1	-0.795	-0.910	9.265	1.230	1.230	0.000	0.000	0.000	0.000
255	A	255	GLU	-1	-0.925	-0.951	9.285	1.949	1.949	0.000	0.000	0.000	0.000
256	A	256	ASP	-1	-0.794	-0.912	11.808	0.662	0.662	0.000	0.000	0.000	0.000
257	A	257	ALA	0	-0.002	0.001	15.382	-0.079	-0.079	0.000	0.000	0.000	0.000
258	A	258	TRP	0	-0.017	-0.042	16.806	-0.093	-0.093	0.000	0.000	0.000	0.000
259	A	259	ALA	0	-0.003	0.009	18.341	-0.046	-0.046	0.000	0.000	0.000	0.000
260	A	260	SER	0	0.028	0.019	20.092	-0.046	-0.046	0.000	0.000	0.000	0.000
261	A	261	LYS	1	0.988	0.981	21.223	-0.468	-0.468	0.000	0.000	0.000	0.000
262	A	262	ASP	-1	-0.758	-0.872	23.247	0.407	0.407	0.000	0.000	0.000	0.000
263	A	263	THR	0	-0.023	-0.004	23.632	-0.037	-0.037	0.000	0.000	0.000	0.000
264	A	264	GLU	-1	-0.945	-0.978	26.391	0.219	0.219	0.000	0.000	0.000	0.000
265	A	265	ALA	0	-0.014	-0.005	27.956	-0.024	-0.024	0.000	0.000	0.000	0.000
266	A	266	MET	0	-0.020	0.002	29.165	-0.012	-0.012	0.000	0.000	0.000	0.000
267	A	267	LYS	1	0.977	0.990	29.634	-0.260	-0.260	0.000	0.000	0.000	0.000
268	A	268	ARG	1	0.969	0.994	31.595	-0.227	-0.227	0.000	0.000	0.000	0.000
269	A	269	ALA	0	0.038	0.026	34.108	-0.013	-0.013	0.000	0.000	0.000	0.000
270	A	270	LEU	0	0.003	0.010	34.592	-0.010	-0.010	0.000	0.000	0.000	0.000
271	A	271	ALA	0	0.059	0.038	36.909	-0.011	-0.011	0.000	0.000	0.000	0.000
272	A	272	SER	0	-0.040	-0.024	38.385	-0.013	-0.013	0.000	0.000	0.000	0.000
273	A	273	ILE	0	-0.036	-0.019	38.601	-0.008	-0.008	0.000	0.000	0.000	0.000
274	A	274	ASP	-1	-0.918	-0.975	40.983	0.134	0.134	0.000	0.000	0.000	0.000
275	A	275	SER	0	-0.066	-0.027	42.717	-0.006	-0.006	0.000	0.000	0.000	0.000
276	A	276	LYS	1	0.812	0.907	42.562	-0.139	-0.139	0.000	0.000	0.000	0.000
277	A	277	LEU	0	0.063	0.036	45.036	-0.006	-0.006	0.000	0.000	0.000	0.000
278	A	278	ASN	0	0.006	-0.006	47.257	-0.004	-0.004	0.000	0.000	0.000	0.000
279	A	279	GLN	0	0.006	-0.001	49.714	-0.003	-0.003	0.000	0.000	0.000	0.000
280	A	280	ALA	0	0.074	0.041	48.829	-0.003	-0.003	0.000	0.000	0.000	0.000
281	A	281	LYS	1	0.815	0.877	49.157	-0.112	-0.112	0.000	0.000	0.000	0.000
282	A	282	GLY	0	-0.036	-0.037	52.736	-0.003	-0.003	0.000	0.000	0.000	0.000
283	A	283	TRP	0	0.014	0.007	54.173	-0.002	-0.002	0.000	0.000	0.000	0.000
284	A	284	LEU	0	-0.030	0.018	51.818	-0.003	-0.003	0.000	0.000	0.000	0.000
285	A	285	ARG	1	0.809	0.919	53.820	-0.090	-0.090	0.000	0.000	0.000	0.000
286	A	286	ASP	-1	-0.758	-0.901	58.526	0.067	0.067	0.000	0.000	0.000	0.000
287	A	287	PRO	0	-0.091	-0.029	60.269	0.002	0.002	0.000	0.000	0.000	0.000
288	A	288	SER	0	-0.027	-0.003	62.541	-0.001	-0.001	0.000	0.000	0.000	0.000
289	A	289	ALA	0	0.037	0.023	58.510	0.000	0.000	0.000	0.000	0.000	0.000
290	A	290	SER	0	0.012	0.001	59.758	0.000	0.000	0.000	0.000	0.000	0.000
291	A	291	PRO	0	0.019	0.000	56.989	0.003	0.003	0.000	0.000	0.000	0.000
292	A	292	GLY	0	-0.009	0.005	54.413	0.000	0.000	0.000	0.000	0.000	0.000
293	A	293	ASP	-1	-0.866	-0.928	54.546	0.080	0.080	0.000	0.000	0.000	0.000
294	A	294	ALA	0	0.025	0.000	52.190	0.003	0.003	0.000	0.000	0.000	0.000
295	A	295	GLY	0	0.001	-0.006	51.293	0.004	0.004	0.000	0.000	0.000	0.000
296	A	296	GLU	-1	-0.864	-0.944	51.562	0.098	0.098	0.000	0.000	0.000	0.000
297	A	297	GLN	0	0.051	0.034	48.360	0.008	0.008	0.000	0.000	0.000	0.000
298	A	298	ALA	0	-0.036	-0.002	47.121	0.006	0.006	0.000	0.000	0.000	0.000
299	A	299	ILE	0	0.012	0.007	46.302	0.007	0.007	0.000	0.000	0.000	0.000
300	A	300	ARG	1	0.842	0.899	45.670	-0.099	-0.099	0.000	0.000	0.000	0.000
301	A	301	GLN	0	-0.041	-0.044	40.321	0.005	0.005	0.000	0.000	0.000	0.000
302	A	302	ILE	0	0.029	0.027	41.471	0.009	0.009	0.000	0.000	0.000	0.000
303	A	303	LEU	0	-0.042	-0.028	40.882	0.009	0.009	0.000	0.000	0.000	0.000
304	A	304	ASP	-1	-0.819	-0.899	38.311	0.175	0.175	0.000	0.000	0.000	0.000
305	A	305	GLU	-1	-0.823	-0.922	36.766	0.183	0.183	0.000	0.000	0.000	0.000
306	A	306	ALA	0	-0.007	0.005	35.986	0.013	0.013	0.000	0.000	0.000	0.000
307	A	307	GLY	0	0.042	0.007	35.932	0.011	0.011	0.000	0.000	0.000	0.000
308	A	308	LYS	1	0.842	0.944	33.201	-0.171	-0.171	0.000	0.000	0.000	0.000
309	A	309	VAL	0	0.024	0.016	31.421	0.020	0.020	0.000	0.000	0.000	0.000
310	A	310	GLY	0	-0.006	-0.010	31.194	0.015	0.015	0.000	0.000	0.000	0.000
311	A	311	GLU	-1	-0.829	-0.929	29.786	0.248	0.248	0.000	0.000	0.000	0.000
312	A	312	LEU	0	-0.067	-0.021	25.818	0.021	0.021	0.000	0.000	0.000	0.000
313	A	313	CYS	0	-0.067	-0.014	26.815	0.020	0.020	0.000	0.000	0.000	0.000
314	A	314	ALA	0	0.119	0.040	26.430	0.007	0.007	0.000	0.000	0.000	0.000
315	A	315	GLY	0	0.007	-0.016	28.509	-0.017	-0.017	0.000	0.000	0.000	0.000
316	A	316	LYS	1	0.938	0.986	31.318	-0.223	-0.223	0.000	0.000	0.000	0.000
317	A	317	GLU	-1	-0.774	-0.899	30.353	0.254	0.254	0.000	0.000	0.000	0.000
318	A	318	ARG	1	0.930	1.002	28.611	-0.283	-0.283	0.000	0.000	0.000	0.000
319	A	319	ARG	1	0.906	0.930	33.074	-0.210	-0.210	0.000	0.000	0.000	0.000
320	A	320	GLU	-1	-0.947	-0.976	36.087	0.168	0.168	0.000	0.000	0.000	0.000
321	A	321	ILE	0	-0.028	-0.013	34.394	-0.013	-0.013	0.000	0.000	0.000	0.000
322	A	322	LEU	0	0.006	0.020	34.140	-0.011	-0.011	0.000	0.000	0.000	0.000
323	A	323	GLY	0	0.012	0.011	38.286	-0.009	-0.009	0.000	0.000	0.000	0.000
324	A	324	THR	0	-0.026	-0.023	41.057	-0.009	-0.009	0.000	0.000	0.000	0.000
325	A	325	CYS	0	-0.038	-0.014	39.844	-0.006	-0.006	0.000	0.000	0.000	0.000
326	A	326	LYS	1	0.958	0.982	42.357	-0.136	-0.136	0.000	0.000	0.000	0.000
327	A	327	MET	0	0.005	0.015	44.227	-0.007	-0.007	0.000	0.000	0.000	0.000
328	A	328	LEU	0	0.000	-0.008	44.600	-0.006	-0.006	0.000	0.000	0.000	0.000
329	A	329	GLY	0	0.049	0.024	46.523	-0.005	-0.005	0.000	0.000	0.000	0.000
330	A	330	GLN	0	0.033	0.032	47.837	-0.002	-0.002	0.000	0.000	0.000	0.000
331	A	331	MET	0	-0.100	-0.065	49.883	-0.005	-0.005	0.000	0.000	0.000	0.000
332	A	332	THR	0	-0.006	-0.016	50.326	-0.004	-0.004	0.000	0.000	0.000	0.000
333	A	333	ASP	-1	-0.834	-0.888	51.072	0.094	0.094	0.000	0.000	0.000	0.000
334	A	334	GLN	0	0.002	-0.005	53.513	-0.005	-0.005	0.000	0.000	0.000	0.000
335	A	335	VAL	0	0.014	0.005	55.480	-0.004	-0.004	0.000	0.000	0.000	0.000
336	A	336	ALA	0	0.042	0.007	55.480	-0.003	-0.003	0.000	0.000	0.000	0.000
337	A	337	ASP	-1	-0.900	-0.921	57.502	0.068	0.068	0.000	0.000	0.000	0.000
338	A	338	LEU	0	-0.021	-0.009	59.170	-0.003	-0.003	0.000	0.000	0.000	0.000
339	A	339	ARG	1	0.792	0.904	59.074	-0.078	-0.078	0.000	0.000	0.000	0.000
340	A	340	ALA	0	-0.043	-0.013	61.367	-0.002	-0.002	0.000	0.000	0.000	0.000
341	A	341	ARG	1	0.873	0.921	62.132	-0.064	-0.064	0.000	0.000	0.000	0.000
342	A	342	GLY	0	0.016	0.031	66.150	-0.002	-0.002	0.000	0.000	0.000	0.000
343	A	343	GLN	0	-0.029	-0.008	66.174	-0.001	-0.001	0.000	0.000	0.000	0.000
344	A	344	GLY	0	0.091	0.042	63.469	0.002	0.002	0.000	0.000	0.000	0.000
345	A	345	SER	0	0.021	-0.008	63.774	0.001	0.001	0.000	0.000	0.000	0.000
346	A	346	SER	0	-0.028	-0.016	64.866	-0.001	-0.001	0.000	0.000	0.000	0.000
347	A	347	PRO	0	0.033	0.009	64.991	0.002	0.002	0.000	0.000	0.000	0.000
348	A	348	VAL	0	0.011	-0.024	60.796	0.002	0.002	0.000	0.000	0.000	0.000
349	A	349	ALA	0	0.007	0.018	60.646	0.003	0.003	0.000	0.000	0.000	0.000
350	A	350	MET	0	0.001	0.028	60.281	0.002	0.002	0.000	0.000	0.000	0.000
351	A	351	GLN	0	0.005	-0.008	59.251	0.005	0.005	0.000	0.000	0.000	0.000
352	A	352	LYS	1	0.878	0.939	56.104	-0.080	-0.080	0.000	0.000	0.000	0.000
353	A	353	ALA	0	0.039	0.028	55.105	0.004	0.004	0.000	0.000	0.000	0.000
354	A	354	GLN	0	0.023	0.009	55.117	0.002	0.002	0.000	0.000	0.000	0.000
355	A	355	GLN	0	-0.033	-0.003	52.779	0.001	0.001	0.000	0.000	0.000	0.000
356	A	356	VAL	0	0.011	-0.003	49.818	0.005	0.005	0.000	0.000	0.000	0.000
357	A	357	SER	0	-0.002	0.001	49.978	0.006	0.006	0.000	0.000	0.000	0.000
358	A	358	GLN	0	-0.002	-0.016	50.253	0.000	0.000	0.000	0.000	0.000	0.000
359	A	359	GLY	0	0.031	0.021	47.886	0.004	0.004	0.000	0.000	0.000	0.000
360	A	360	LEU	0	0.003	-0.007	45.743	0.007	0.007	0.000	0.000	0.000	0.000
361	A	361	ASP	-1	-0.838	-0.923	44.775	0.121	0.121	0.000	0.000	0.000	0.000
362	A	362	VAL	0	-0.036	0.002	43.440	0.006	0.006	0.000	0.000	0.000	0.000
363	A	363	LEU	0	-0.037	-0.042	39.646	0.009	0.009	0.000	0.000	0.000	0.000
364	A	364	THR	0	0.037	0.019	40.162	0.010	0.010	0.000	0.000	0.000	0.000
365	A	365	ALA	0	0.052	0.040	39.611	0.008	0.008	0.000	0.000	0.000	0.000
366	A	366	LYS	1	0.874	0.933	37.486	-0.156	-0.156	0.000	0.000	0.000	0.000
367	A	367	VAL	0	0.010	-0.001	35.431	0.014	0.014	0.000	0.000	0.000	0.000
368	A	368	GLU	-1	-0.878	-0.917	34.537	0.178	0.178	0.000	0.000	0.000	0.000
369	A	369	ASN	0	-0.062	-0.042	34.552	0.019	0.019	0.000	0.000	0.000	0.000
370	A	370	ALA	0	0.000	-0.006	31.584	0.013	0.013	0.000	0.000	0.000	0.000
371	A	371	ALA	0	0.026	-0.008	30.338	0.020	0.020	0.000	0.000	0.000	0.000
372	A	372	ARG	1	0.950	0.969	29.763	-0.189	-0.189	0.000	0.000	0.000	0.000
373	A	373	LYS	1	0.881	0.941	28.956	-0.229	-0.229	0.000	0.000	0.000	0.000
374	A	374	LEU	0	0.057	0.033	23.534	0.023	0.023	0.000	0.000	0.000	0.000
375	A	375	GLU	-1	-0.914	-0.969	24.991	0.305	0.305	0.000	0.000	0.000	0.000
376	A	376	ALA	0	-0.052	-0.025	25.721	0.007	0.007	0.000	0.000	0.000	0.000
377	A	377	MET	0	0.028	0.020	21.489	0.011	0.011	0.000	0.000	0.000	0.000
378	A	378	THR	0	-0.005	0.002	21.229	0.052	0.052	0.000	0.000	0.000	0.000
379	A	379	ASN	0	0.021	0.010	21.293	0.026	0.026	0.000	0.000	0.000	0.000
380	A	380	SER	0	-0.011	-0.001	21.377	-0.001	-0.001	0.000	0.000	0.000	0.000
381	A	381	LYS	1	0.912	0.973	14.251	-0.917	-0.917	0.000	0.000	0.000	0.000
382	A	382	GLN	0	0.009	0.000	17.343	0.004	0.004	0.000	0.000	0.000	0.000
383	A	383	SER	0	-0.140	-0.138	19.112	-0.016	-0.016	0.000	0.000	0.000	0.000
384	A	384	ILE	0	0.025	-0.001	15.327	-0.024	-0.024	0.000	0.000	0.000	0.000
385	A	385	ALA	0	0.033	0.031	14.933	-0.010	-0.010	0.000	0.000	0.000	0.000
386	A	386	LYS	1	0.910	0.958	15.825	-0.306	-0.306	0.000	0.000	0.000	0.000
387	A	387	LYS	1	0.849	0.940	18.575	-0.327	-0.327	0.000	0.000	0.000	0.000
388	A	388	ILE	0	0.022	0.006	12.496	-0.038	-0.038	0.000	0.000	0.000	0.000
389	A	389	ASP	-1	-0.897	-0.944	14.776	0.229	0.229	0.000	0.000	0.000	0.000
390	A	390	ALA	0	-0.067	-0.029	16.069	-0.049	-0.049	0.000	0.000	0.000	0.000
391	A	391	ALA	0	-0.024	-0.018	17.575	-0.034	-0.034	0.000	0.000	0.000	0.000
392	A	392	GLN	0	0.049	0.028	11.915	-0.043	-0.043	0.000	0.000	0.000	0.000
393	A	393	ASN	0	0.011	-0.020	16.059	-0.048	-0.048	0.000	0.000	0.000	0.000
394	A	394	TRP	0	-0.014	0.043	19.195	-0.022	-0.022	0.000	0.000	0.000	0.000
395	A	395	LEU	0	-0.018	-0.003	15.778	-0.011	-0.011	0.000	0.000	0.000	0.000
396	A	396	ALA	0	-0.115	-0.055	18.182	-0.031	-0.031	0.000	0.000	0.000	0.000
397	A	397	ASP	-1	-0.794	-0.905	19.408	-0.026	-0.026	0.000	0.000	0.000	0.000
398	A	398	PRO	0	-0.091	-0.044	23.185	0.016	0.016	0.000	0.000	0.000	0.000
399	A	399	ASN	0	-0.061	-0.031	24.906	-0.004	-0.004	0.000	0.000	0.000	0.000
400	A	400	GLY	0	0.021	0.016	25.297	0.005	0.005	0.000	0.000	0.000	0.000
401	A	401	GLY	0	0.063	0.000	26.176	-0.007	-0.007	0.000	0.000	0.000	0.000
402	A	402	PRO	0	-0.002	-0.016	26.916	0.011	0.011	0.000	0.000	0.000	0.000
403	A	403	GLU	-1	-0.796	-0.881	27.181	0.097	0.097	0.000	0.000	0.000	0.000
404	A	404	GLY	0	-0.024	-0.021	23.444	0.017	0.017	0.000	0.000	0.000	0.000
405	A	405	GLU	-1	-0.950	-0.981	22.396	0.134	0.134	0.000	0.000	0.000	0.000
406	A	406	GLU	-1	-0.842	-0.912	24.188	0.184	0.184	0.000	0.000	0.000	0.000
407	A	407	GLN	0	-0.105	-0.053	21.083	0.026	0.026	0.000	0.000	0.000	0.000
408	A	408	ILE	0	0.010	-0.002	18.625	0.039	0.039	0.000	0.000	0.000	0.000
409	A	409	ARG	1	0.897	0.942	20.653	-0.172	-0.172	0.000	0.000	0.000	0.000
410	A	410	GLY	0	-0.004	-0.022	23.549	0.015	0.015	0.000	0.000	0.000	0.000
411	A	411	ALA	0	0.001	0.002	17.861	0.020	0.020	0.000	0.000	0.000	0.000
412	A	412	LEU	0	0.027	0.005	18.702	0.042	0.042	0.000	0.000	0.000	0.000
413	A	413	ALA	0	-0.063	-0.026	20.815	0.005	0.005	0.000	0.000	0.000	0.000
414	A	414	GLU	-1	-0.821	-0.845	20.721	0.324	0.324	0.000	0.000	0.000	0.000
415	A	415	ALA	0	0.007	-0.007	18.360	0.018	0.018	0.000	0.000	0.000	0.000
416	A	416	ARG	1	0.938	0.976	20.033	-0.272	-0.272	0.000	0.000	0.000	0.000
417	A	417	LYS	1	0.955	0.993	23.409	-0.297	-0.297	0.000	0.000	0.000	0.000
418	A	418	ILE	0	-0.001	-0.010	18.500	-0.006	-0.006	0.000	0.000	0.000	0.000
419	A	419	ALA	0	0.049	0.029	22.109	0.011	0.011	0.000	0.000	0.000	0.000
420	A	420	GLU	-1	-0.953	-0.978	23.012	0.269	0.269	0.000	0.000	0.000	0.000
421	A	421	LEU	0	-0.068	-0.056	24.898	-0.013	-0.013	0.000	0.000	0.000	0.000
422	A	422	CYS	0	-0.011	0.014	21.718	0.019	0.019	0.000	0.000	0.000	0.000
423	A	423	ASP	-1	-0.968	-0.993	24.430	0.305	0.305	0.000	0.000	0.000	0.000
424	A	424	ASP	-1	-0.784	-0.879	21.831	0.482	0.482	0.000	0.000	0.000	0.000
425	A	425	PRO	0	-0.044	-0.043	22.820	0.029	0.029	0.000	0.000	0.000	0.000
426	A	426	LYS	1	0.958	0.985	18.113	-0.568	-0.568	0.000	0.000	0.000	0.000
427	A	427	GLU	-1	-0.859	-0.920	17.253	0.768	0.768	0.000	0.000	0.000	0.000
428	A	428	ARG	1	0.860	0.924	19.032	-0.311	-0.311	0.000	0.000	0.000	0.000
429	A	429	ASP	-1	-0.892	-0.935	21.497	0.315	0.315	0.000	0.000	0.000	0.000
430	A	430	ASP	-1	-0.886	-0.951	14.866	0.734	0.734	0.000	0.000	0.000	0.000
431	A	431	ILE	0	-0.005	0.014	17.000	0.042	0.042	0.000	0.000	0.000	0.000
432	A	432	LEU	0	-0.045	-0.025	18.418	-0.025	-0.025	0.000	0.000	0.000	0.000
433	A	433	ARG	1	0.798	0.911	18.561	-0.373	-0.373	0.000	0.000	0.000	0.000
434	A	434	SER	0	0.061	0.002	15.724	0.001	0.001	0.000	0.000	0.000	0.000
435	A	435	LEU	0	-0.070	-0.030	17.853	-0.042	-0.042	0.000	0.000	0.000	0.000
436	A	436	GLY	0	-0.005	0.006	20.281	-0.036	-0.036	0.000	0.000	0.000	0.000
437	A	437	GLU	-1	-0.882	-0.940	17.191	0.333	0.333	0.000	0.000	0.000	0.000
438	A	438	ILE	0	-0.002	-0.012	15.867	-0.029	-0.029	0.000	0.000	0.000	0.000
439	A	439	SER	0	-0.011	0.017	18.768	-0.040	-0.040	0.000	0.000	0.000	0.000
440	A	440	ALA	0	0.032	0.030	22.193	-0.026	-0.026	0.000	0.000	0.000	0.000
441	A	441	LEU	0	0.057	-0.037	17.159	-0.018	-0.018	0.000	0.000	0.000	0.000
442	A	442	THR	0	-0.073	-0.071	20.438	-0.015	-0.015	0.000	0.000	0.000	0.000
443	A	443	SER	0	0.009	-0.001	21.869	-0.019	-0.019	0.000	0.000	0.000	0.000
444	A	444	LYN	0	-0.077	0.018	21.770	-0.011	-0.011	0.000	0.000	0.000	0.000
445	A	445	LEU	0	0.016	0.013	20.263	-0.019	-0.019	0.000	0.000	0.000	0.000
446	A	446	ALA	0	0.036	0.023	24.055	-0.011	-0.011	0.000	0.000	0.000	0.000
447	A	447	ASP	-1	-0.920	-1.002	26.408	0.023	0.023	0.000	0.000	0.000	0.000
448	A	448	LEU	0	0.082	-0.026	25.131	-0.005	-0.005	0.000	0.000	0.000	0.000
449	A	449	ARG	1	0.935	0.989	21.797	-0.036	-0.036	0.000	0.000	0.000	0.000
450	A	450	ARG	1	0.772	0.954	28.359	-0.047	-0.047	0.000	0.000	0.000	0.000
451	A	451	GLN	0	-0.101	-0.005	30.723	0.001	0.001	0.000	0.000	0.000	0.000
452	A	452	GLY	0	0.000	-0.009	31.736	-0.006	-0.006	0.000	0.000	0.000	0.000
453	A	453	LYS	1	0.925	0.965	27.942	0.013	0.013	0.000	0.000	0.000	0.000
454	A	454	GLY	0	0.086	0.047	26.354	0.001	0.001	0.000	0.000	0.000	0.000
455	A	455	ASP	-1	-0.960	-1.001	25.075	-0.061	-0.061	0.000	0.000	0.000	0.000
456	A	456	SER	0	-0.132	-0.058	24.842	-0.021	-0.021	0.000	0.000	0.000	0.000
457	A	457	PRO	0	0.031	-0.045	20.708	0.002	0.002	0.000	0.000	0.000	0.000
458	A	458	GLU	-1	-0.858	-0.869	22.343	-0.095	-0.095	0.000	0.000	0.000	0.000
459	A	459	ALA	0	0.088	0.034	22.213	0.010	0.010	0.000	0.000	0.000	0.000
460	A	460	ARG	1	1.030	1.061	16.740	0.323	0.323	0.000	0.000	0.000	0.000
461	A	461	ALA	0	-0.049	-0.035	17.004	-0.005	-0.005	0.000	0.000	0.000	0.000
462	A	462	LEU	0	-0.032	-0.016	17.835	0.018	0.018	0.000	0.000	0.000	0.000
463	A	463	ALA	0	0.042	0.012	16.943	0.035	0.035	0.000	0.000	0.000	0.000
464	A	464	LYS	1	0.833	0.922	9.643	0.418	0.418	0.000	0.000	0.000	0.000
465	A	465	GLN	0	-0.019	-0.011	12.677	0.080	0.080	0.000	0.000	0.000	0.000
466	A	466	VAL	0	0.054	0.013	13.481	0.086	0.086	0.000	0.000	0.000	0.000
467	A	467	ALA	0	0.011	0.017	12.319	0.078	0.078	0.000	0.000	0.000	0.000
468	A	468	THR	0	-0.037	-0.020	7.800	0.017	0.017	0.000	0.000	0.000	0.000
469	A	469	ALA	0	0.011	0.011	9.664	0.228	0.228	0.000	0.000	0.000	0.000
470	A	470	LEU	0	-0.007	-0.011	12.177	0.123	0.123	0.000	0.000	0.000	0.000
471	A	471	GLN	0	0.052	0.015	6.840	-0.067	-0.067	0.000	0.000	0.000	0.000
472	A	472	ASN	0	0.010	0.003	7.625	0.698	0.698	0.000	0.000	0.000	0.000
473	A	473	LEU	0	-0.008	-0.008	9.546	0.102	0.102	0.000	0.000	0.000	0.000
474	A	474	GLN	0	-0.020	-0.016	10.296	-0.057	-0.057	0.000	0.000	0.000	0.000
475	A	475	THR	0	-0.030	-0.006	7.375	0.258	0.258	0.000	0.000	0.000	0.000
476	A	476	LYS	1	0.947	0.973	10.030	-0.927	-0.927	0.000	0.000	0.000	0.000
477	A	477	THR	0	0.002	-0.016	12.941	-0.041	-0.041	0.000	0.000	0.000	0.000
478	A	478	ASN	0	0.025	0.016	10.326	-0.288	-0.288	0.000	0.000	0.000	0.000
479	A	479	ARG	1	0.945	0.991	7.858	-2.465	-2.465	0.000	0.000	0.000	0.000
480	A	480	ALA	0	0.092	0.059	14.097	-0.104	-0.104	0.000	0.000	0.000	0.000
481	A	481	VAL	0	-0.034	-0.021	17.080	-0.084	-0.084	0.000	0.000	0.000	0.000
482	A	482	ALA	0	0.000	0.029	15.026	-0.084	-0.084	0.000	0.000	0.000	0.000
483	A	483	ASN	0	-0.105	-0.079	15.736	-0.050	-0.050	0.000	0.000	0.000	0.000
484	A	484	SER	0	-0.074	-0.032	18.738	-0.084	-0.084	0.000	0.000	0.000	0.000
485	A	485	ARG	1	0.783	0.885	18.754	-0.648	-0.648	0.000	0.000	0.000	0.000
486	A	486	PRO	0	-0.046	-0.010	21.458	0.028	0.028	0.000	0.000	0.000	0.000
487	A	487	ALA	0	-0.013	-0.003	21.443	0.027	0.027	0.000	0.000	0.000	0.000
488	A	488	LYS	1	0.840	0.924	21.711	-0.492	-0.492	0.000	0.000	0.000	0.000
489	A	489	ALA	0	0.007	0.016	23.586	0.004	0.004	0.000	0.000	0.000	0.000
490	A	490	ALA	0	-0.026	-0.014	24.906	0.021	0.021	0.000	0.000	0.000	0.000
491	A	491	VAL	0	0.033	-0.005	25.208	-0.010	-0.010	0.000	0.000	0.000	0.000
492	A	492	HIS	0	0.057	0.032	25.561	-0.026	-0.026	0.000	0.000	0.000	0.000
493	A	493	LEU	0	0.054	0.032	29.882	0.006	0.006	0.000	0.000	0.000	0.000
494	A	494	GLU	-1	-0.859	-0.933	31.071	0.130	0.130	0.000	0.000	0.000	0.000
495	A	495	GLY	0	0.028	0.007	27.720	-0.001	-0.001	0.000	0.000	0.000	0.000
496	A	496	LYS	1	0.895	0.965	28.414	-0.213	-0.213	0.000	0.000	0.000	0.000
497	A	497	ILE	0	0.030	0.013	30.186	-0.002	-0.002	0.000	0.000	0.000	0.000
498	A	498	GLU	-1	-0.931	-0.966	26.101	0.204	0.204	0.000	0.000	0.000	0.000
499	A	499	GLN	0	-0.016	-0.011	24.149	-0.007	-0.007	0.000	0.000	0.000	0.000
500	A	500	ALA	0	-0.032	-0.017	28.579	0.000	0.000	0.000	0.000	0.000	0.000
501	A	501	GLN	0	-0.010	-0.010	31.961	-0.013	-0.013	0.000	0.000	0.000	0.000
502	A	502	ARG	1	0.982	0.995	24.709	-0.224	-0.224	0.000	0.000	0.000	0.000
503	A	503	TRP	0	0.006	0.020	29.911	-0.010	-0.010	0.000	0.000	0.000	0.000
504	A	504	ILE	0	-0.028	-0.034	31.201	-0.008	-0.008	0.000	0.000	0.000	0.000
505	A	505	ASP	-1	-0.949	-0.953	32.653	0.108	0.108	0.000	0.000	0.000	0.000
506	A	506	ASN	0	-0.066	-0.035	29.060	-0.016	-0.016	0.000	0.000	0.000	0.000
507	A	507	PRO	0	-0.032	0.002	31.175	0.013	0.013	0.000	0.000	0.000	0.000
508	A	508	THR	0	0.029	0.009	32.312	0.009	0.009	0.000	0.000	0.000	0.000
509	A	509	VAL	0	-0.078	-0.046	26.351	0.009	0.009	0.000	0.000	0.000	0.000
510	A	510	ASP	-1	-0.902	-0.964	23.353	0.325	0.325	0.000	0.000	0.000	0.000
511	A	511	ASP	-1	-0.826	-0.908	24.035	0.267	0.267	0.000	0.000	0.000	0.000
512	A	512	ARG	1	0.932	0.957	17.517	-0.517	-0.517	0.000	0.000	0.000	0.000
513	A	513	GLY	0	-0.035	-0.011	23.973	0.019	0.019	0.000	0.000	0.000	0.000
514	A	514	VAL	0	-0.014	-0.019	22.896	-0.016	-0.016	0.000	0.000	0.000	0.000
515	A	515	GLY	0	0.065	0.035	26.254	-0.010	-0.010	0.000	0.000	0.000	0.000
516	A	516	GLN	0	0.026	-0.004	29.429	-0.018	-0.018	0.000	0.000	0.000	0.000
517	A	517	ALA	0	-0.039	0.000	28.053	-0.009	-0.009	0.000	0.000	0.000	0.000
518	A	518	ALA	0	0.014	0.000	29.154	-0.005	-0.005	0.000	0.000	0.000	0.000
519	A	519	ILE	0	-0.017	-0.007	30.733	-0.010	-0.010	0.000	0.000	0.000	0.000
520	A	520	ARG	1	0.841	0.905	30.446	-0.238	-0.238	0.000	0.000	0.000	0.000
521	A	521	GLY	0	0.001	0.002	32.501	-0.006	-0.006	0.000	0.000	0.000	0.000
522	A	522	LEU	0	0.003	-0.001	33.438	-0.007	-0.007	0.000	0.000	0.000	0.000
523	A	523	VAL	0	0.068	0.041	35.938	-0.008	-0.008	0.000	0.000	0.000	0.000
524	A	524	ALA	0	-0.026	-0.002	35.723	-0.008	-0.008	0.000	0.000	0.000	0.000
525	A	525	GLU	-1	-0.871	-0.949	34.848	0.175	0.175	0.000	0.000	0.000	0.000
526	A	526	GLY	0	0.022	0.000	38.142	-0.008	-0.008	0.000	0.000	0.000	0.000
527	A	527	HIS	0	-0.034	-0.040	41.087	-0.010	-0.010	0.000	0.000	0.000	0.000
528	A	528	ARG	1	0.800	0.901	34.880	-0.185	-0.185	0.000	0.000	0.000	0.000
529	A	529	LEU	0	-0.029	0.002	41.196	-0.005	-0.005	0.000	0.000	0.000	0.000
530	A	530	ALA	0	0.105	0.036	43.542	-0.006	-0.006	0.000	0.000	0.000	0.000
531	A	531	ASN	0	-0.129	-0.055	43.836	-0.010	-0.010	0.000	0.000	0.000	0.000
532	A	532	VAL	0	0.005	0.007	45.805	-0.001	-0.001	0.000	0.000	0.000	0.000
533	A	533	MET	0	-0.061	-0.009	46.510	-0.006	-0.006	0.000	0.000	0.000	0.000
534	A	534	MET	0	-0.010	-0.019	50.601	-0.001	-0.001	0.000	0.000	0.000	0.000
535	A	535	GLY	0	0.018	-0.003	54.221	0.000	0.000	0.000	0.000	0.000	0.000
536	A	536	PRO	0	0.070	0.034	54.784	0.003	0.003	0.000	0.000	0.000	0.000
537	A	537	TYR	0	0.044	0.032	52.033	0.002	0.002	0.000	0.000	0.000	0.000
538	A	538	ARG	1	0.958	0.981	49.395	-0.089	-0.089	0.000	0.000	0.000	0.000
539	A	539	GLN	0	0.007	-0.022	49.721	0.002	0.002	0.000	0.000	0.000	0.000
540	A	540	ASP	-1	-0.952	-0.954	50.947	0.081	0.081	0.000	0.000	0.000	0.000
541	A	541	LEU	0	0.020	-0.011	44.655	0.002	0.002	0.000	0.000	0.000	0.000
542	A	542	LEU	0	0.016	0.000	45.610	0.003	0.003	0.000	0.000	0.000	0.000
543	A	543	ALA	0	0.016	0.038	47.218	0.002	0.002	0.000	0.000	0.000	0.000
544	A	544	LYS	1	0.893	0.928	45.517	-0.085	-0.085	0.000	0.000	0.000	0.000
545	A	545	CYS	0	-0.054	-0.004	43.071	0.006	0.006	0.000	0.000	0.000	0.000
546	A	546	ASP	-1	-0.868	-0.933	43.386	0.114	0.114	0.000	0.000	0.000	0.000
547	A	547	ARG	1	0.810	0.910	45.324	-0.092	-0.092	0.000	0.000	0.000	0.000
548	A	548	VAL	0	0.057	0.015	39.370	0.000	0.000	0.000	0.000	0.000	0.000
549	A	549	ASP	-1	-0.870	-0.917	39.901	0.149	0.149	0.000	0.000	0.000	0.000
550	A	550	GLN	0	-0.060	-0.038	41.328	0.003	0.003	0.000	0.000	0.000	0.000
551	A	551	LEU	0	-0.009	0.002	42.272	-0.001	-0.001	0.000	0.000	0.000	0.000
552	A	552	THR	0	-0.021	-0.036	36.398	0.001	0.001	0.000	0.000	0.000	0.000
553	A	553	ALA	0	-0.040	-0.004	38.722	0.004	0.004	0.000	0.000	0.000	0.000
554	A	554	GLN	0	-0.056	-0.030	40.405	-0.001	-0.001	0.000	0.000	0.000	0.000
555	A	555	LEU	0	0.010	0.003	37.121	-0.001	-0.001	0.000	0.000	0.000	0.000
556	A	556	ALA	0	0.016	-0.005	35.884	0.001	0.001	0.000	0.000	0.000	0.000
557	A	557	ASP	-1	-0.950	-0.974	37.221	0.121	0.121	0.000	0.000	0.000	0.000
558	A	558	LEU	0	-0.068	-0.039	39.831	-0.004	-0.004	0.000	0.000	0.000	0.000
559	A	559	ALA	0	0.035	0.006	35.641	-0.002	-0.002	0.000	0.000	0.000	0.000
560	A	560	ALA	0	-0.079	-0.018	35.864	0.002	0.002	0.000	0.000	0.000	0.000
561	A	561	ARG	1	0.859	0.945	36.930	-0.103	-0.103	0.000	0.000	0.000	0.000
562	A	562	GLY	0	0.065	0.026	38.202	0.000	0.000	0.000	0.000	0.000	0.000
563	A	563	GLU	-1	-0.993	-1.004	38.871	0.082	0.082	0.000	0.000	0.000	0.000
564	A	564	GLY	0	0.035	0.024	37.273	0.005	0.005	0.000	0.000	0.000	0.000
565	A	565	GLU	-1	-0.961	-0.980	37.222	0.089	0.089	0.000	0.000	0.000	0.000
566	A	566	SER	0	-0.027	-0.005	40.642	-0.004	-0.004	0.000	0.000	0.000	0.000
567	A	567	PRO	0	0.006	0.019	44.080	0.000	0.000	0.000	0.000	0.000	0.000
568	A	568	GLN	0	0.145	0.031	46.192	0.000	0.000	0.000	0.000	0.000	0.000
569	A	569	ALA	0	-0.010	0.018	41.127	0.003	0.003	0.000	0.000	0.000	0.000
570	A	570	ARG	1	0.904	0.942	40.981	-0.082	-0.082	0.000	0.000	0.000	0.000
571	A	571	ALA	0	0.025	0.001	43.293	0.001	0.001	0.000	0.000	0.000	0.000
572	A	572	LEU	0	-0.042	-0.020	43.151	-0.001	-0.001	0.000	0.000	0.000	0.000
573	A	573	ALA	0	0.040	0.027	39.768	0.002	0.002	0.000	0.000	0.000	0.000
574	A	574	SER	0	-0.055	-0.021	41.181	0.001	0.001	0.000	0.000	0.000	0.000
575	A	575	GLN	0	0.060	0.034	43.645	0.002	0.002	0.000	0.000	0.000	0.000
576	A	576	LEU	0	0.020	0.028	38.299	0.000	0.000	0.000	0.000	0.000	0.000
577	A	577	GLN	0	0.016	0.024	38.680	-0.004	-0.004	0.000	0.000	0.000	0.000
578	A	578	ASP	-1	-0.898	-0.954	40.152	0.083	0.083	0.000	0.000	0.000	0.000
579	A	579	SER	0	-0.066	-0.068	42.689	-0.002	-0.002	0.000	0.000	0.000	0.000
580	A	580	LEU	0	-0.006	-0.001	36.422	0.002	0.002	0.000	0.000	0.000	0.000
581	A	581	LYS	1	0.955	0.993	39.982	-0.090	-0.090	0.000	0.000	0.000	0.000
582	A	582	ASP	-1	-0.809	-0.907	41.700	0.088	0.088	0.000	0.000	0.000	0.000
583	A	583	LEU	0	0.043	0.023	40.027	-0.001	-0.001	0.000	0.000	0.000	0.000
584	A	584	LYS	1	0.830	0.902	36.356	-0.118	-0.118	0.000	0.000	0.000	0.000
585	A	585	ALA	0	0.008	0.007	40.392	0.001	0.001	0.000	0.000	0.000	0.000
586	A	586	ARG	1	0.898	0.955	43.588	-0.086	-0.086	0.000	0.000	0.000	0.000
587	A	587	MET	0	-0.051	-0.034	38.212	0.001	0.001	0.000	0.000	0.000	0.000
588	A	588	GLN	0	0.021	-0.002	38.689	-0.002	-0.002	0.000	0.000	0.000	0.000
589	A	589	GLU	-1	-0.959	-0.951	42.353	0.077	0.077	0.000	0.000	0.000	0.000
590	A	590	ALA	0	-0.005	-0.012	44.652	-0.001	-0.001	0.000	0.000	0.000	0.000
591	A	591	MET	0	-0.016	0.007	39.377	-0.002	-0.002	0.000	0.000	0.000	0.000
592	A	592	THR	0	0.015	0.008	43.498	-0.001	-0.001	0.000	0.000	0.000	0.000
593	A	593	GLN	0	-0.036	-0.036	45.310	-0.003	-0.003	0.000	0.000	0.000	0.000
594	A	594	GLU	-1	-0.788	-0.874	44.005	0.114	0.114	0.000	0.000	0.000	0.000
595	A	595	VAL	0	0.015	0.000	42.253	-0.001	-0.001	0.000	0.000	0.000	0.000
596	A	596	SER	0	-0.022	-0.012	45.317	-0.004	-0.004	0.000	0.000	0.000	0.000
597	A	597	ASP	-1	-0.968	-0.988	48.833	0.074	0.074	0.000	0.000	0.000	0.000
598	A	598	VAL	0	-0.055	-0.020	45.012	-0.002	-0.002	0.000	0.000	0.000	0.000
599	A	599	PHE	0	0.023	-0.015	40.747	0.000	0.000	0.000	0.000	0.000	0.000
600	A	600	SER	0	-0.096	-0.009	46.651	-0.004	-0.004	0.000	0.000	0.000	0.000
601	A	601	ASP	-1	-0.804	-0.842	50.274	0.067	0.067	0.000	0.000	0.000	0.000
602	A	602	THR	0	0.024	0.016	45.630	0.001	0.001	0.000	0.000	0.000	0.000
603	A	603	THR	0	0.023	0.008	47.857	0.001	0.001	0.000	0.000	0.000	0.000
604	A	604	THR	0	-0.107	-0.142	49.880	-0.002	-0.002	0.000	0.000	0.000	0.000
605	A	605	PRO	0	0.031	0.021	49.305	-0.002	-0.002	0.000	0.000	0.000	0.000
606	A	606	ILE	0	0.047	0.024	46.063	-0.001	-0.001	0.000	0.000	0.000	0.000
607	A	607	LYS	1	0.938	0.988	49.937	-0.063	-0.063	0.000	0.000	0.000	0.000
608	A	608	LEU	0	-0.020	0.000	53.251	-0.002	-0.002	0.000	0.000	0.000	0.000
609	A	609	LEU	0	0.025	0.032	49.227	-0.001	-0.001	0.000	0.000	0.000	0.000
610	A	610	ALA	0	0.056	-0.006	51.726	-0.001	-0.001	0.000	0.000	0.000	0.000
611	A	611	VAL	0	-0.099	-0.060	53.040	-0.002	-0.002	0.000	0.000	0.000	0.000
612	A	612	ALA	0	-0.011	-0.002	55.261	-0.002	-0.002	0.000	0.000	0.000	0.000
613	A	613	ALA	0	-0.002	-0.007	53.017	-0.001	-0.001	0.000	0.000	0.000	0.000
614	A	614	THR	0	-0.073	-0.051	55.064	-0.002	-0.002	0.000	0.000	0.000	0.000
615	A	615	ALA	0	-0.020	-0.005	57.602	-0.002	-0.002	0.000	0.000	0.000	0.000
616	A	616	PRO	0	0.042	-0.004	60.770	0.000	0.000	0.000	0.000	0.000	0.000
617	A	617	PRO	0	-0.040	-0.015	62.382	0.001	0.001	0.000	0.000	0.000	0.000
618	A	618	ASP	-1	-0.927	-0.962	63.779	0.042	0.042	0.000	0.000	0.000	0.000
619	A	619	ALA	0	-0.047	0.000	63.638	-0.001	-0.001	0.000	0.000	0.000	0.000
620	A	620	PRO	0	0.050	0.004	65.285	0.001	0.001	0.000	0.000	0.000	0.000
621	A	621	ASN	0	-0.029	-0.008	63.729	0.000	0.000	0.000	0.000	0.000	0.000
622	A	622	ARG	1	0.909	0.972	59.073	-0.053	-0.053	0.000	0.000	0.000	0.000
623	A	623	GLU	-1	-0.889	-0.967	56.833	0.064	0.064	0.000	0.000	0.000	0.000
624	A	624	GLU	-1	-0.885	-0.924	58.407	0.057	0.057	0.000	0.000	0.000	0.000
625	A	625	VAL	0	0.014	-0.010	58.527	0.002	0.002	0.000	0.000	0.000	0.000
626	A	626	PHE	0	-0.001	-0.006	51.164	0.002	0.002	0.000	0.000	0.000	0.000
627	A	627	ASP	-1	-0.842	-0.913	53.672	0.077	0.077	0.000	0.000	0.000	0.000
628	A	628	GLU	-1	-0.919	-0.954	53.533	0.067	0.067	0.000	0.000	0.000	0.000
629	A	629	ARG	1	0.832	0.903	54.025	-0.062	-0.062	0.000	0.000	0.000	0.000
630	A	630	ALA	0	0.061	0.024	49.630	0.003	0.003	0.000	0.000	0.000	0.000
631	A	631	ALA	0	0.067	0.051	49.063	0.004	0.004	0.000	0.000	0.000	0.000
632	A	632	ASN	0	-0.153	-0.100	49.302	0.002	0.002	0.000	0.000	0.000	0.000
633	A	633	PHE	0	-0.035	-0.004	44.541	0.000	0.000	0.000	0.000	0.000	0.000
634	A	634	GLU	-1	-0.850	-0.936	44.863	0.107	0.107	0.000	0.000	0.000	0.000
635	A	635	ASN	0	-0.021	-0.014	44.679	0.008	0.008	0.000	0.000	0.000	0.000
636	A	636	HIS	0	-0.053	-0.036	45.907	0.004	0.004	0.000	0.000	0.000	0.000
637	A	637	SER	0	0.067	0.021	41.876	0.002	0.002	0.000	0.000	0.000	0.000
638	A	638	GLY	0	-0.017	0.002	41.210	0.006	0.006	0.000	0.000	0.000	0.000
639	A	639	LYS	1	0.880	0.935	41.385	-0.091	-0.091	0.000	0.000	0.000	0.000
640	A	640	LEU	0	0.003	0.028	42.063	0.002	0.002	0.000	0.000	0.000	0.000
641	A	641	GLY	0	0.036	0.006	38.356	0.003	0.003	0.000	0.000	0.000	0.000
642	A	642	ALA	0	-0.043	-0.031	37.850	0.007	0.007	0.000	0.000	0.000	0.000
643	A	643	THR	0	-0.013	-0.025	38.798	0.005	0.005	0.000	0.000	0.000	0.000
644	A	644	ALA	0	0.043	0.013	37.245	0.001	0.001	0.000	0.000	0.000	0.000
645	A	645	GLU	-1	-0.939	-0.976	33.304	0.200	0.200	0.000	0.000	0.000	0.000
646	A	646	LYS	1	0.856	0.940	35.075	-0.120	-0.120	0.000	0.000	0.000	0.000
647	A	647	ALA	0	0.033	0.008	37.131	0.001	0.001	0.000	0.000	0.000	0.000
648	A	648	ALA	0	-0.059	-0.028	32.134	0.000	0.000	0.000	0.000	0.000	0.000
649	A	649	ALA	0	-0.055	-0.016	32.978	0.006	0.006	0.000	0.000	0.000	0.000
650	A	650	VAL	0	-0.045	-0.039	33.983	0.004	0.004	0.000	0.000	0.000	0.000
651	A	651	GLY	0	0.038	0.026	36.106	-0.010	-0.010	0.000	0.000	0.000	0.000
652	A	652	THR	0	-0.084	-0.044	35.111	0.005	0.005	0.000	0.000	0.000	0.000
653	A	653	ALA	0	0.055	0.012	32.439	-0.008	-0.008	0.000	0.000	0.000	0.000
654	A	654	ASN	0	-0.004	0.015	25.315	0.010	0.010	0.000	0.000	0.000	0.000
655	A	655	LYS	1	0.893	0.925	21.062	-0.323	-0.323	0.000	0.000	0.000	0.000
656	A	656	SER	0	0.020	0.028	26.416	0.009	0.009	0.000	0.000	0.000	0.000
657	A	657	THR	0	0.062	0.015	27.892	0.007	0.007	0.000	0.000	0.000	0.000
658	A	658	VAL	0	0.010	0.022	27.852	0.002	0.002	0.000	0.000	0.000	0.000
659	A	659	GLU	-1	-0.858	-0.937	24.161	0.320	0.320	0.000	0.000	0.000	0.000
660	A	660	GLY	0	0.020	0.015	27.528	-0.001	-0.001	0.000	0.000	0.000	0.000
661	A	661	ILE	0	0.032	0.016	30.053	-0.005	-0.005	0.000	0.000	0.000	0.000
662	A	662	GLN	0	0.035	-0.006	27.360	-0.012	-0.012	0.000	0.000	0.000	0.000
663	A	663	ALA	0	-0.048	-0.006	29.029	0.004	0.004	0.000	0.000	0.000	0.000
664	A	664	SER	0	-0.054	-0.026	30.258	-0.007	-0.007	0.000	0.000	0.000	0.000
665	A	665	VAL	0	0.012	0.001	33.352	-0.006	-0.006	0.000	0.000	0.000	0.000
666	A	666	LYS	1	0.905	0.950	27.087	-0.249	-0.249	0.000	0.000	0.000	0.000
667	A	667	THR	0	0.062	0.024	32.341	-0.007	-0.007	0.000	0.000	0.000	0.000
668	A	668	ALA	0	0.001	0.026	34.022	-0.005	-0.005	0.000	0.000	0.000	0.000
669	A	669	ARG	1	0.862	0.943	34.700	-0.177	-0.177	0.000	0.000	0.000	0.000
670	A	670	GLU	-1	-0.910	-0.951	31.249	0.188	0.188	0.000	0.000	0.000	0.000
671	A	671	LEU	0	-0.027	-0.044	35.631	-0.007	-0.007	0.000	0.000	0.000	0.000
672	A	672	THR	0	-0.005	0.000	38.780	-0.010	-0.010	0.000	0.000	0.000	0.000
673	A	673	PRO	0	0.069	0.028	39.701	-0.007	-0.007	0.000	0.000	0.000	0.000
674	A	674	GLN	0	0.000	0.005	37.617	-0.006	-0.006	0.000	0.000	0.000	0.000
675	A	675	VAL	0	0.004	0.017	41.599	-0.006	-0.006	0.000	0.000	0.000	0.000
676	A	676	VAL	0	-0.033	-0.015	44.227	-0.005	-0.005	0.000	0.000	0.000	0.000
677	A	677	SER	0	0.004	0.023	44.424	-0.004	-0.004	0.000	0.000	0.000	0.000
678	A	678	ALA	0	-0.011	-0.003	45.067	-0.005	-0.005	0.000	0.000	0.000	0.000
679	A	679	ALA	0	0.003	-0.003	46.936	-0.004	-0.004	0.000	0.000	0.000	0.000
680	A	680	ARG	1	0.946	0.962	48.463	-0.088	-0.088	0.000	0.000	0.000	0.000
681	A	681	ILE	0	-0.101	-0.047	46.679	-0.003	-0.003	0.000	0.000	0.000	0.000
682	A	682	LEU	0	-0.013	-0.012	50.655	-0.003	-0.003	0.000	0.000	0.000	0.000
683	A	683	LEU	0	0.001	0.054	53.281	-0.003	-0.003	0.000	0.000	0.000	0.000
684	A	684	ARG	1	0.871	0.938	53.942	-0.071	-0.071	0.000	0.000	0.000	0.000
685	A	685	ASN	0	-0.085	-0.036	53.922	-0.003	-0.003	0.000	0.000	0.000	0.000
686	A	686	PRO	0	0.050	0.030	55.658	0.000	0.000	0.000	0.000	0.000	0.000
687	A	687	GLY	0	0.021	0.011	57.430	0.000	0.000	0.000	0.000	0.000	0.000
688	A	688	ASN	0	0.011	-0.011	53.495	0.001	0.001	0.000	0.000	0.000	0.000
689	A	689	GLN	0	0.090	0.048	52.477	0.002	0.002	0.000	0.000	0.000	0.000
690	A	690	ALA	0	0.052	0.042	49.788	0.001	0.001	0.000	0.000	0.000	0.000
691	A	691	ALA	0	-0.072	-0.044	49.422	0.003	0.003	0.000	0.000	0.000	0.000
692	A	692	TYR	0	0.005	-0.012	50.474	0.002	0.002	0.000	0.000	0.000	0.000
693	A	693	GLU	-1	-0.898	-0.944	47.596	0.055	0.055	0.000	0.000	0.000	0.000
694	A	694	HIS	0	0.021	0.039	42.461	0.001	0.001	0.000	0.000	0.000	0.000
695	A	695	PHE	0	0.025	0.017	45.684	0.004	0.004	0.000	0.000	0.000	0.000
696	A	696	GLU	-1	-0.895	-0.951	47.267	0.064	0.064	0.000	0.000	0.000	0.000
697	A	697	THR	0	-0.023	-0.007	42.250	0.002	0.002	0.000	0.000	0.000	0.000
698	A	698	MET	0	-0.024	-0.010	39.324	0.005	0.005	0.000	0.000	0.000	0.000
699	A	699	LYS	1	0.912	0.967	42.868	-0.064	-0.064	0.000	0.000	0.000	0.000
700	A	700	ASN	0	-0.011	-0.017	44.488	0.003	0.003	0.000	0.000	0.000	0.000
701	A	701	GLN	0	0.057	0.047	36.714	-0.003	-0.003	0.000	0.000	0.000	0.000
702	A	702	TRP	0	-0.068	-0.048	40.101	0.004	0.004	0.000	0.000	0.000	0.000
703	A	703	ILE	0	-0.068	-0.062	41.577	0.002	0.002	0.000	0.000	0.000	0.000
704	A	704	ASP	-1	-0.870	-0.901	39.768	0.084	0.084	0.000	0.000	0.000	0.000
705	A	705	ASN	0	-0.084	-0.072	36.166	0.010	0.010	0.000	0.000	0.000	0.000
706	A	706	VAL	0	0.026	0.023	38.369	0.006	0.006	0.000	0.000	0.000	0.000
707	A	707	GLU	-1	-0.847	-0.927	40.796	0.084	0.084	0.000	0.000	0.000	0.000
708	A	708	LYS	1	0.915	0.980	33.608	-0.135	-0.135	0.000	0.000	0.000	0.000
709	A	709	MET	0	-0.016	-0.016	36.716	0.004	0.004	0.000	0.000	0.000	0.000
710	A	710	THR	0	-0.047	-0.032	38.235	0.001	0.001	0.000	0.000	0.000	0.000
711	A	711	GLY	0	0.022	0.014	40.434	-0.002	-0.002	0.000	0.000	0.000	0.000
712	A	712	LEU	0	-0.020	-0.023	33.691	0.001	0.001	0.000	0.000	0.000	0.000
713	A	713	VAL	0	0.002	0.004	37.497	0.002	0.002	0.000	0.000	0.000	0.000
714	A	714	ASP	-1	-0.847	-0.930	39.137	0.084	0.084	0.000	0.000	0.000	0.000
715	A	715	GLU	-1	-1.034	-1.015	36.960	0.096	0.096	0.000	0.000	0.000	0.000
716	A	716	ALA	0	-0.054	-0.018	37.051	0.004	0.004	0.000	0.000	0.000	0.000
717	A	717	ILE	0	-0.024	-0.010	38.043	0.001	0.001	0.000	0.000	0.000	0.000
718	A	718	ASP	-1	-0.862	-0.913	41.471	0.072	0.072	0.000	0.000	0.000	0.000
719	A	719	THR	0	-0.001	-0.019	42.624	-0.001	-0.001	0.000	0.000	0.000	0.000
720	A	720	LYS	1	0.967	0.977	45.087	-0.061	-0.061	0.000	0.000	0.000	0.000
721	A	721	SER	0	0.062	0.026	45.385	0.000	0.000	0.000	0.000	0.000	0.000
722	A	722	LEU	0	-0.035	-0.004	44.989	-0.002	-0.002	0.000	0.000	0.000	0.000
723	A	723	LEU	0	-0.021	-0.020	47.623	-0.002	-0.002	0.000	0.000	0.000	0.000
724	A	724	ASP	-1	-0.862	-0.919	50.515	0.054	0.054	0.000	0.000	0.000	0.000
725	A	725	ALA	0	-0.018	-0.010	49.765	-0.002	-0.002	0.000	0.000	0.000	0.000
726	A	726	SER	0	-0.036	-0.035	51.376	-0.001	-0.001	0.000	0.000	0.000	0.000
727	A	727	GLU	-1	-0.830	-0.910	52.896	0.044	0.044	0.000	0.000	0.000	0.000
728	A	728	GLU	-1	-0.882	-0.956	55.044	0.050	0.050	0.000	0.000	0.000	0.000
729	A	729	ALA	0	-0.027	-0.012	54.065	-0.001	-0.001	0.000	0.000	0.000	0.000
730	A	730	ILE	0	-0.009	-0.003	56.149	-0.001	-0.001	0.000	0.000	0.000	0.000
731	A	731	LYS	1	0.897	0.941	58.462	-0.050	-0.050	0.000	0.000	0.000	0.000
732	A	732	LYS	1	0.943	0.981	57.704	-0.061	-0.061	0.000	0.000	0.000	0.000
733	A	733	ASP	-1	-0.767	-0.841	58.072	0.057	0.057	0.000	0.000	0.000	0.000
734	A	734	LEU	0	0.001	-0.021	61.042	-0.001	-0.001	0.000	0.000	0.000	0.000
735	A	735	ASP	-1	-0.880	-0.926	63.667	0.043	0.043	0.000	0.000	0.000	0.000
736	A	736	LYN	0	-0.020	-0.014	58.144	-0.001	-0.001	0.000	0.000	0.000	0.000
737	A	737	CYS	0	-0.045	0.002	64.315	-0.001	-0.001	0.000	0.000	0.000	0.000
738	A	738	LYS	1	0.875	0.928	66.872	-0.042	-0.042	0.000	0.000	0.000	0.000
739	A	739	VAL	0	0.032	0.008	67.874	-0.001	-0.001	0.000	0.000	0.000	0.000
740	A	740	ALA	0	-0.014	0.016	67.906	0.000	0.000	0.000	0.000	0.000	0.000
741	A	741	MET	0	-0.037	-0.037	69.890	-0.001	-0.001	0.000	0.000	0.000	0.000
742	A	742	ALA	0	-0.033	0.008	72.560	-0.001	-0.001	0.000	0.000	0.000	0.000
743	A	743	ASN	0	-0.021	-0.012	71.341	-0.002	-0.002	0.000	0.000	0.000	0.000
744	A	744	ILE	0	-0.047	-0.039	74.177	0.000	0.000	0.000	0.000	0.000	0.000
745	A	745	GLN	0	0.048	0.017	69.713	0.001	0.001	0.000	0.000	0.000	0.000
746	A	746	PRO	0	0.049	0.021	69.563	0.002	0.002	0.000	0.000	0.000	0.000
747	A	747	GLN	0	0.020	0.010	66.614	0.001	0.001	0.000	0.000	0.000	0.000
748	A	748	MET	0	0.001	-0.009	65.063	0.002	0.002	0.000	0.000	0.000	0.000
749	A	749	LEU	0	-0.020	0.007	65.268	0.001	0.001	0.000	0.000	0.000	0.000
750	A	750	VAL	0	0.036	0.003	64.104	0.001	0.001	0.000	0.000	0.000	0.000
751	A	751	ALA	0	-0.022	-0.004	61.296	0.001	0.001	0.000	0.000	0.000	0.000
752	A	752	GLY	0	0.042	0.028	60.484	0.002	0.002	0.000	0.000	0.000	0.000
753	A	753	ALA	0	0.056	0.020	61.184	0.000	0.000	0.000	0.000	0.000	0.000
754	A	754	THR	0	-0.077	-0.043	58.260	0.001	0.001	0.000	0.000	0.000	0.000
755	A	755	SER	0	-0.078	-0.061	56.815	0.001	0.001	0.000	0.000	0.000	0.000
756	A	756	ILE	0	0.041	0.024	56.548	0.002	0.002	0.000	0.000	0.000	0.000
757	A	757	ALA	0	-0.013	-0.004	57.719	0.000	0.000	0.000	0.000	0.000	0.000
758	A	758	ARG	1	0.915	0.966	53.631	-0.063	-0.063	0.000	0.000	0.000	0.000
759	A	759	ARG	1	0.869	0.916	53.196	-0.063	-0.063	0.000	0.000	0.000	0.000
760	A	760	ALA	0	0.039	0.015	53.235	0.001	0.001	0.000	0.000	0.000	0.000
761	A	761	ASN	0	-0.009	-0.017	53.197	-0.002	-0.002	0.000	0.000	0.000	0.000
762	A	762	ARG	1	0.939	0.983	46.525	-0.078	-0.078	0.000	0.000	0.000	0.000
763	A	763	ILE	0	-0.003	0.002	49.485	0.001	0.001	0.000	0.000	0.000	0.000
764	A	764	LEU	0	-0.017	-0.007	50.547	-0.001	-0.001	0.000	0.000	0.000	0.000
765	A	765	LEU	0	0.003	0.006	46.551	-0.002	-0.002	0.000	0.000	0.000	0.000
766	A	766	VAL	0	-0.001	0.001	45.505	0.001	0.001	0.000	0.000	0.000	0.000
767	A	767	ALA	0	0.013	0.007	46.317	0.000	0.000	0.000	0.000	0.000	0.000
768	A	768	LYS	1	0.966	0.979	47.515	-0.046	-0.046	0.000	0.000	0.000	0.000
769	A	769	ARG	1	0.942	0.977	40.861	-0.078	-0.078	0.000	0.000	0.000	0.000
770	A	770	GLU	-1	-0.849	-0.932	43.402	0.067	0.067	0.000	0.000	0.000	0.000
771	A	771	VAL	0	-0.046	-0.027	44.761	-0.003	-0.003	0.000	0.000	0.000	0.000
772	A	772	GLU	-1	-0.950	-0.979	43.093	0.046	0.046	0.000	0.000	0.000	0.000
773	A	773	ASN	0	-0.041	-0.010	38.952	0.000	0.000	0.000	0.000	0.000	0.000
774	A	774	SER	0	0.015	0.021	41.101	-0.001	-0.001	0.000	0.000	0.000	0.000
775	A	775	GLU	-1	-0.845	-0.894	40.174	0.026	0.026	0.000	0.000	0.000	0.000
776	A	776	ASP	-1	-0.813	-0.921	44.461	0.022	0.022	0.000	0.000	0.000	0.000
777	A	777	PRO	0	-0.039	-0.016	47.067	0.002	0.002	0.000	0.000	0.000	0.000
778	A	778	LYS	1	0.974	0.993	50.700	-0.020	-0.020	0.000	0.000	0.000	0.000
779	A	779	PHE	0	-0.011	0.013	46.466	0.000	0.000	0.000	0.000	0.000	0.000
780	A	780	ARG	1	0.923	0.948	46.889	-0.031	-0.031	0.000	0.000	0.000	0.000
781	A	781	GLU	-1	-1.002	-0.987	50.263	0.023	0.023	0.000	0.000	0.000	0.000
782	A	782	ALA	0	0.052	0.029	53.197	0.001	0.001	0.000	0.000	0.000	0.000
783	A	783	VAL	0	0.008	-0.012	49.655	0.000	0.000	0.000	0.000	0.000	0.000
784	A	784	LYS	1	0.880	0.961	52.067	-0.028	-0.028	0.000	0.000	0.000	0.000
785	A	785	ALA	0	0.081	0.042	54.052	0.000	0.000	0.000	0.000	0.000	0.000
786	A	786	ALA	0	-0.015	0.011	55.690	0.001	0.001	0.000	0.000	0.000	0.000
787	A	787	SER	0	0.004	-0.014	53.633	0.002	0.002	0.000	0.000	0.000	0.000
788	A	788	ASP	-1	-0.895	-0.947	55.721	0.033	0.033	0.000	0.000	0.000	0.000
789	A	789	GLU	-1	-0.955	-0.980	58.389	0.028	0.028	0.000	0.000	0.000	0.000
790	A	790	LEU	0	0.011	-0.001	55.537	0.000	0.000	0.000	0.000	0.000	0.000
791	A	791	SER	0	0.010	-0.006	57.788	0.000	0.000	0.000	0.000	0.000	0.000
792	A	792	LYS	1	0.828	0.915	59.420	-0.028	-0.028	0.000	0.000	0.000	0.000
793	A	793	THR	0	-0.012	0.001	61.191	-0.001	-0.001	0.000	0.000	0.000	0.000
794	A	794	ILE	0	-0.022	-0.006	57.814	0.000	0.000	0.000	0.000	0.000	0.000
795	A	795	SER	0	0.017	-0.010	61.958	0.000	0.000	0.000	0.000	0.000	0.000
796	A	796	PRO	0	0.033	0.003	64.269	0.000	0.000	0.000	0.000	0.000	0.000
797	A	797	MET	0	0.070	0.057	62.369	0.000	0.000	0.000	0.000	0.000	0.000
798	A	798	VAL	0	-0.003	-0.003	62.173	0.000	0.000	0.000	0.000	0.000	0.000
799	A	799	MET	0	-0.126	-0.062	65.448	0.000	0.000	0.000	0.000	0.000	0.000
800	A	800	ASP	-1	-0.799	-0.896	68.882	0.031	0.031	0.000	0.000	0.000	0.000
801	A	801	ALA	0	-0.048	-0.032	66.641	0.000	0.000	0.000	0.000	0.000	0.000
802	A	802	LYS	1	0.878	0.937	66.318	-0.037	-0.037	0.000	0.000	0.000	0.000
803	A	803	ALA	0	0.020	0.023	69.968	0.000	0.000	0.000	0.000	0.000	0.000
804	A	804	VAL	0	-0.055	-0.026	71.968	0.000	0.000	0.000	0.000	0.000	0.000
805	A	805	ALA	0	-0.011	0.004	70.845	0.001	0.001	0.000	0.000	0.000	0.000
806	A	806	GLY	0	0.006	-0.003	72.311	0.000	0.000	0.000	0.000	0.000	0.000
807	A	807	ASN	0	-0.003	0.011	75.920	0.001	0.001	0.000	0.000	0.000	0.000
808	A	808	ILE	0	0.019	0.033	71.582	0.000	0.000	0.000	0.000	0.000	0.000
809	A	809	SER	0	-0.008	-0.010	75.567	0.000	0.000	0.000	0.000	0.000	0.000
810	A	810	ASP	-1	-0.870	-0.938	78.594	0.027	0.027	0.000	0.000	0.000	0.000
811	A	811	PRO	0	0.045	-0.018	78.354	0.001	0.001	0.000	0.000	0.000	0.000
812	A	812	GLY	0	0.063	-0.006	79.183	0.000	0.000	0.000	0.000	0.000	0.000
813	A	813	LEU	0	-0.013	-0.005	76.012	0.000	0.000	0.000	0.000	0.000	0.000
814	A	814	GLN	0	0.015	-0.007	73.509	0.000	0.000	0.000	0.000	0.000	0.000
815	A	815	LYS	1	0.778	0.970	73.190	-0.029	-0.029	0.000	0.000	0.000	0.000
816	A	816	SER	0	0.040	0.003	73.631	0.000	0.000	0.000	0.000	0.000	0.000
817	A	817	PHE	0	0.017	0.034	66.199	0.001	0.001	0.000	0.000	0.000	0.000
818	A	818	LEU	0	-0.036	-0.037	68.861	0.001	0.001	0.000	0.000	0.000	0.000
819	A	819	ASP	-1	-0.859	-0.919	69.312	0.030	0.030	0.000	0.000	0.000	0.000
820	A	820	SER	0	0.004	0.005	67.798	0.000	0.000	0.000	0.000	0.000	0.000
821	A	821	GLY	0	0.005	-0.001	65.346	0.001	0.001	0.000	0.000	0.000	0.000
822	A	822	TYR	0	0.006	-0.012	64.662	0.001	0.001	0.000	0.000	0.000	0.000
823	A	823	ARG	1	0.886	0.946	65.397	-0.030	-0.030	0.000	0.000	0.000	0.000
824	A	824	ILE	0	0.014	-0.008	59.971	0.000	0.000	0.000	0.000	0.000	0.000
825	A	825	LEU	0	-0.028	-0.030	59.896	0.000	0.000	0.000	0.000	0.000	0.000
826	A	826	GLY	0	0.026	0.030	61.137	0.000	0.000	0.000	0.000	0.000	0.000
827	A	827	ALA	0	-0.027	-0.018	60.314	0.000	0.000	0.000	0.000	0.000	0.000
828	A	828	VAL	0	-0.033	-0.021	56.677	0.000	0.000	0.000	0.000	0.000	0.000
829	A	829	ALA	0	0.057	0.050	56.403	0.001	0.001	0.000	0.000	0.000	0.000
830	A	830	LYS	1	0.901	0.960	57.518	-0.031	-0.031	0.000	0.000	0.000	0.000
831	A	831	VAL	0	-0.018	-0.015	52.618	-0.001	-0.001	0.000	0.000	0.000	0.000
832	A	832	ARG	1	0.875	0.940	52.764	-0.045	-0.045	0.000	0.000	0.000	0.000
833	A	833	GLU	-1	-0.820	-0.931	52.946	0.039	0.039	0.000	0.000	0.000	0.000
834	A	834	ALA	0	-0.067	-0.003	53.023	0.000	0.000	0.000	0.000	0.000	0.000
835	A	835	PHE	0	-0.069	-0.046	46.666	0.001	0.001	0.000	0.000	0.000	0.000
836	A	836	GLN	0	-0.059	-0.031	49.288	0.001	0.001	0.000	0.000	0.000	0.000
837	A	837	PRO	0	-0.086	-0.029	47.914	-0.001	-0.001	0.000	0.000	0.000	0.000
838	A	838	GLN	0	-0.026	-0.014	49.527	-0.003	-0.003	0.000	0.000	0.000	0.000
839	A	839	GLU	-1	-0.920	-0.979	51.341	0.028	0.028	0.000	0.000	0.000	0.000
840	A	840	PRO	0	-0.065	-0.023	51.510	-0.002	-0.002	0.000	0.000	0.000	0.000
841	A	841	ASP	-1	-0.869	-0.925	53.015	0.015	0.015	0.000	0.000	0.000	0.000
842	A	842	PHE	0	-0.063	-0.045	54.958	0.000	0.000	0.000	0.000	0.000	0.000
843	A	843	PRO	0	-0.038	0.000	53.572	-0.002	-0.002	0.000	0.000	0.000	0.000
844	A	877	PRO	0	-0.011	-0.030	48.200	0.000	0.000	0.000	0.000	0.000	0.000
845	A	878	PRO	0	-0.030	-0.012	49.607	0.002	0.002	0.000	0.000	0.000	0.000
846	A	879	GLU	-1	-0.883	-0.961	45.328	-0.011	-0.011	0.000	0.000	0.000	0.000
847	A	880	GLU	-1	-0.877	-0.949	40.792	0.011	0.011	0.000	0.000	0.000	0.000
848	A	881	LYS	1	0.877	0.943	41.179	0.012	0.012	0.000	0.000	0.000	0.000
849	A	882	ASP	-1	-0.801	-0.827	35.689	0.008	0.008	0.000	0.000	0.000	0.000
850	A	883	GLU	-1	-0.873	-0.952	33.898	-0.014	-0.014	0.000	0.000	0.000	0.000
851	A	884	GLU	-1	-0.924	-0.948	34.056	0.029	0.029	0.000	0.000	0.000	0.000
852	A	885	PHE	0	-0.018	-0.024	25.909	-0.005	-0.005	0.000	0.000	0.000	0.000
853	A	886	PRO	0	0.009	0.021	28.478	0.004	0.004	0.000	0.000	0.000	0.000
854	A	887	GLU	-1	-0.920	-0.988	28.409	0.056	0.056	0.000	0.000	0.000	0.000
855	A	888	GLN	0	0.018	-0.005	29.224	0.005	0.005	0.000	0.000	0.000	0.000
856	A	889	LYS	1	0.793	0.883	27.424	-0.007	-0.007	0.000	0.000	0.000	0.000
857	A	890	ALA	0	0.067	0.048	29.512	-0.001	-0.001	0.000	0.000	0.000	0.000
858	A	891	GLY	0	0.029	0.035	27.757	-0.003	-0.003	0.000	0.000	0.000	0.000
859	A	892	GLU	-1	-0.855	-0.924	25.906	-0.018	-0.018	0.000	0.000	0.000	0.000
860	A	893	VAL	0	-0.038	-0.026	20.026	0.024	0.024	0.000	0.000	0.000	0.000
861	A	894	ILE	0	0.006	0.000	21.289	-0.014	-0.014	0.000	0.000	0.000	0.000
862	A	895	ASN	0	-0.052	-0.029	14.984	-0.008	-0.008	0.000	0.000	0.000	0.000
863	A	896	GLN	0	0.063	0.023	18.333	0.005	0.005	0.000	0.000	0.000	0.000
864	A	897	PRO	0	0.018	0.015	16.370	-0.014	-0.014	0.000	0.000	0.000	0.000
865	A	898	MET	0	0.019	-0.005	15.354	0.002	0.002	0.000	0.000	0.000	0.000
866	A	899	MET	0	-0.033	0.001	18.292	-0.024	-0.024	0.000	0.000	0.000	0.000
867	A	900	MET	0	0.024	0.022	21.599	-0.023	-0.023	0.000	0.000	0.000	0.000
868	A	901	ALA	0	-0.003	0.011	19.022	0.000	0.000	0.000	0.000	0.000	0.000
869	A	902	ALA	0	0.023	0.006	21.121	-0.012	-0.012	0.000	0.000	0.000	0.000
870	A	903	ARG	1	0.893	0.955	23.056	-0.103	-0.103	0.000	0.000	0.000	0.000
871	A	904	GLN	0	0.028	0.012	22.657	0.004	0.004	0.000	0.000	0.000	0.000
872	A	905	LEU	0	-0.044	-0.024	23.064	-0.006	-0.006	0.000	0.000	0.000	0.000
873	A	906	HIS	0	0.047	0.005	25.630	-0.006	-0.006	0.000	0.000	0.000	0.000
874	A	907	ASP	-1	-0.863	-0.939	28.384	0.087	0.087	0.000	0.000	0.000	0.000
875	A	908	GLU	-1	-0.973	-0.985	28.758	0.104	0.104	0.000	0.000	0.000	0.000
876	A	909	ALA	0	0.017	-0.007	29.785	-0.007	-0.007	0.000	0.000	0.000	0.000
877	A	910	ARG	1	0.867	0.943	31.512	-0.045	-0.045	0.000	0.000	0.000	0.000
878	A	911	LYS	1	0.883	0.959	33.468	-0.092	-0.092	0.000	0.000	0.000	0.000
879	A	912	TRP	0	0.012	0.001	34.227	-0.004	-0.004	0.000	0.000	0.000	0.000
880	A	913	SER	0	0.072	-0.010	37.050	-0.004	-0.004	0.000	0.000	0.000	0.000
881	A	914	SER	0	0.030	-0.020	35.107	0.003	0.003	0.000	0.000	0.000	0.000
882	A	915	LYN	0	-0.122	0.003	36.911	-0.004	-0.004	0.000	0.000	0.000	0.000
883	A	916	GLY	0	0.035	0.031	40.315	0.003	0.003	0.000	0.000	0.000	0.000
884	A	917	ASN	0	0.005	-0.020	35.106	0.002	0.002	0.000	0.000	0.000	0.000
885	A	918	ASP	-1	-0.771	-0.898	33.667	-0.021	-0.021	0.000	0.000	0.000	0.000
886	A	919	ILE	0	-0.013	-0.002	29.754	-0.004	-0.004	0.000	0.000	0.000	0.000
887	A	920	ILE	0	0.000	0.022	30.349	0.002	0.002	0.000	0.000	0.000	0.000
888	A	921	ALA	0	-0.003	-0.003	31.486	0.001	0.001	0.000	0.000	0.000	0.000
889	A	922	ALA	0	-0.012	-0.007	27.673	-0.002	-0.002	0.000	0.000	0.000	0.000
890	A	923	ALA	0	-0.011	0.000	26.960	-0.002	-0.002	0.000	0.000	0.000	0.000
891	A	924	LYS	1	0.874	0.894	27.257	-0.016	-0.016	0.000	0.000	0.000	0.000
892	A	925	ARG	1	0.889	0.954	28.358	0.052	0.052	0.000	0.000	0.000	0.000
893	A	926	MET	0	0.008	0.007	23.263	0.000	0.000	0.000	0.000	0.000	0.000
894	A	927	ALA	0	0.015	0.018	23.490	0.004	0.004	0.000	0.000	0.000	0.000
895	A	928	LEU	0	0.000	-0.009	24.510	0.004	0.004	0.000	0.000	0.000	0.000
896	A	929	LEU	0	-0.005	0.001	22.997	-0.004	-0.004	0.000	0.000	0.000	0.000
897	A	930	MET	0	0.024	0.013	16.542	-0.026	-0.026	0.000	0.000	0.000	0.000
898	A	931	ALA	0	-0.025	-0.013	20.508	0.006	0.006	0.000	0.000	0.000	0.000
899	A	932	GLU	-1	-0.965	-0.977	22.619	-0.122	-0.122	0.000	0.000	0.000	0.000
900	A	933	MET	0	0.063	0.032	13.984	-0.020	-0.020	0.000	0.000	0.000	0.000
901	A	934	SER	0	-0.064	-0.041	17.674	0.000	0.000	0.000	0.000	0.000	0.000
902	A	935	ARG	1	0.924	0.960	19.387	0.033	0.033	0.000	0.000	0.000	0.000
903	A	936	LEU	0	-0.006	-0.009	17.646	-0.007	-0.007	0.000	0.000	0.000	0.000
904	A	937	VAL	0	0.029	0.030	12.805	-0.044	-0.044	0.000	0.000	0.000	0.000
905	A	938	ARG	1	0.899	0.956	14.115	-0.140	-0.140	0.000	0.000	0.000	0.000
906	A	939	GLY	0	0.032	-0.021	15.820	-0.024	-0.024	0.000	0.000	0.000	0.000
907	A	940	GLY	0	0.018	0.009	16.854	0.042	0.042	0.000	0.000	0.000	0.000
908	A	941	SER	0	0.008	0.001	20.289	-0.026	-0.026	0.000	0.000	0.000	0.000
909	A	942	GLY	0	0.014	0.021	22.022	0.016	0.016	0.000	0.000	0.000	0.000
910	A	943	THR	0	0.010	0.009	17.667	-0.007	-0.007	0.000	0.000	0.000	0.000
911	A	944	LYS	1	0.870	0.973	15.674	0.340	0.340	0.000	0.000	0.000	0.000
912	A	945	ARG	1	0.947	1.006	17.605	0.222	0.222	0.000	0.000	0.000	0.000
913	A	946	ALA	0	0.027	0.001	20.332	0.001	0.001	0.000	0.000	0.000	0.000
914	A	947	LEU	0	-0.011	-0.009	13.575	0.027	0.027	0.000	0.000	0.000	0.000
915	A	948	ILE	0	0.000	-0.004	15.639	0.008	0.008	0.000	0.000	0.000	0.000
916	A	949	GLN	0	-0.024	-0.013	17.598	0.000	0.000	0.000	0.000	0.000	0.000
917	A	950	CYS	0	0.029	0.035	18.667	0.025	0.025	0.000	0.000	0.000	0.000
918	A	951	ALA	0	0.027	0.014	15.856	0.029	0.029	0.000	0.000	0.000	0.000
919	A	952	LYS	1	0.947	0.983	17.885	0.278	0.278	0.000	0.000	0.000	0.000
920	A	953	ASP	-1	-0.867	-0.935	20.299	-0.143	-0.143	0.000	0.000	0.000	0.000
921	A	954	ILE	0	-0.018	-0.014	19.062	0.030	0.030	0.000	0.000	0.000	0.000
922	A	955	ALA	0	-0.027	-0.041	18.695	0.022	0.022	0.000	0.000	0.000	0.000
923	A	956	LYS	1	0.987	1.001	20.663	0.170	0.170	0.000	0.000	0.000	0.000
924	A	957	ALA	0	-0.021	-0.011	24.162	0.016	0.016	0.000	0.000	0.000	0.000
925	A	958	SER	0	-0.012	-0.014	20.493	0.022	0.022	0.000	0.000	0.000	0.000
926	A	959	ASP	-1	-0.909	-0.962	22.800	-0.123	-0.123	0.000	0.000	0.000	0.000
927	A	960	GLU	-1	-0.930	-0.976	24.823	-0.042	-0.042	0.000	0.000	0.000	0.000
928	A	961	VAL	0	0.020	0.012	24.622	0.010	0.010	0.000	0.000	0.000	0.000
929	A	962	THR	0	0.028	0.019	23.569	0.015	0.015	0.000	0.000	0.000	0.000
930	A	963	ARG	1	0.868	0.937	26.237	0.055	0.055	0.000	0.000	0.000	0.000
931	A	964	LEU	0	-0.008	-0.002	29.327	0.003	0.003	0.000	0.000	0.000	0.000
932	A	965	ALA	0	0.035	0.016	28.409	0.006	0.006	0.000	0.000	0.000	0.000
933	A	966	LYS	1	0.951	0.961	25.811	0.036	0.036	0.000	0.000	0.000	0.000
934	A	967	GLU	-1	-0.897	-0.941	30.983	-0.010	-0.010	0.000	0.000	0.000	0.000
935	A	968	VAL	0	0.005	0.008	33.528	0.003	0.003	0.000	0.000	0.000	0.000
936	A	969	ALA	0	-0.004	0.000	32.114	0.005	0.005	0.000	0.000	0.000	0.000
937	A	970	LYS	1	0.902	0.944	34.263	-0.002	-0.002	0.000	0.000	0.000	0.000
938	A	971	GLN	0	-0.043	-0.014	36.713	0.005	0.005	0.000	0.000	0.000	0.000
939	A	972	CYS	0	-0.045	0.016	37.095	0.004	0.004	0.000	0.000	0.000	0.000
940	A	973	THR	0	-0.047	-0.032	39.098	0.000	0.000	0.000	0.000	0.000	0.000
941	A	974	ASP	-1	-0.802	-0.909	38.282	0.065	0.065	0.000	0.000	0.000	0.000
942	A	975	LYS	1	0.878	0.910	37.380	-0.040	-0.040	0.000	0.000	0.000	0.000
943	A	976	ARG	1	0.953	0.984	34.792	-0.080	-0.080	0.000	0.000	0.000	0.000
944	A	977	ILE	0	0.039	0.023	33.572	0.005	0.005	0.000	0.000	0.000	0.000
945	A	978	ARG	1	0.765	0.845	32.615	-0.028	-0.028	0.000	0.000	0.000	0.000
946	A	979	THR	0	-0.050	-0.025	30.606	-0.004	-0.004	0.000	0.000	0.000	0.000
947	A	980	ASN	0	-0.045	-0.026	29.162	0.011	0.011	0.000	0.000	0.000	0.000
948	A	981	LEU	0	-0.036	-0.032	28.018	0.007	0.007	0.000	0.000	0.000	0.000
949	A	982	LEU	0	-0.035	-0.023	27.569	-0.001	-0.001	0.000	0.000	0.000	0.000
950	A	983	GLN	0	-0.019	0.002	24.625	0.012	0.012	0.000	0.000	0.000	0.000
951	A	984	VAL	0	-0.021	-0.006	22.986	0.019	0.019	0.000	0.000	0.000	0.000
952	A	985	CYS	0	-0.064	-0.030	22.748	-0.009	-0.009	0.000	0.000	0.000	0.000
953	A	986	GLU	-1	-0.934	-0.971	21.456	0.124	0.124	0.000	0.000	0.000	0.000
954	A	987	ARG	1	0.905	0.946	18.196	-0.229	-0.229	0.000	0.000	0.000	0.000
955	A	988	ILE	0	0.007	0.015	17.764	-0.003	-0.003	0.000	0.000	0.000	0.000
956	A	989	PRO	0	0.000	0.015	18.105	-0.018	-0.018	0.000	0.000	0.000	0.000
957	A	990	THR	0	0.034	0.027	13.489	-0.046	-0.046	0.000	0.000	0.000	0.000
958	A	991	ILE	0	-0.022	-0.017	13.746	-0.043	-0.043	0.000	0.000	0.000	0.000
959	A	992	SER	0	-0.011	-0.029	13.952	-0.051	-0.051	0.000	0.000	0.000	0.000
960	A	993	THR	0	0.000	0.005	13.155	-0.062	-0.062	0.000	0.000	0.000	0.000
961	A	994	GLN	0	0.063	0.036	9.536	-0.011	-0.011	0.000	0.000	0.000	0.000
962	A	995	LEU	0	-0.020	0.008	10.750	-0.148	-0.148	0.000	0.000	0.000	0.000
963	A	996	LYS	1	0.932	0.966	12.694	0.285	0.285	0.000	0.000	0.000	0.000
964	A	997	ILE	0	0.026	0.013	8.820	-0.092	-0.092	0.000	0.000	0.000	0.000
965	A	998	LEU	0	-0.025	0.004	6.188	-0.321	-0.321	0.000	0.000	0.000	0.000
966	A	999	SER	0	-0.050	-0.021	8.771	-0.124	-0.124	0.000	0.000	0.000	0.000
967	A	1000	THR	0	-0.026	-0.029	11.661	0.040	0.040	0.000	0.000	0.000	0.000
968	A	1001	VAL	0	0.036	0.018	5.697	-0.029	-0.029	0.000	0.000	0.000	0.000
969	A	1002	LYS	1	0.890	0.965	8.936	0.492	0.492	0.000	0.000	0.000	0.000
970	A	1003	ALA	0	-0.025	-0.012	10.023	0.091	0.091	0.000	0.000	0.000	0.000
971	A	1004	THR	0	0.025	-0.002	9.041	0.067	0.067	0.000	0.000	0.000	0.000
972	A	1005	MET	0	-0.054	-0.007	4.698	0.231	0.270	-0.001	0.000	-0.038	0.000
973	A	1006	LEU	0	-0.032	0.017	10.677	0.137	0.137	0.000	0.000	0.000	0.000
974	A	1007	GLY	0	0.029	-0.047	13.616	0.094	0.094	0.000	0.000	0.000	0.000
975	A	1008	ARG	1	0.978	1.007	12.768	0.527	0.527	0.000	0.000	0.000	0.000
976	A	1009	THR	0	-0.033	0.009	15.116	0.009	0.009	0.000	0.000	0.000	0.000
977	A	1010	ASN	0	-0.077	-0.055	15.881	0.001	0.001	0.000	0.000	0.000	0.000
978	A	1011	ILE	0	0.025	-0.001	14.434	0.042	0.042	0.000	0.000	0.000	0.000
979	A	1012	SER	0	-0.008	-0.002	12.039	-0.065	-0.065	0.000	0.000	0.000	0.000
980	A	1013	ASP	-1	-0.934	-0.964	8.425	-0.462	-0.462	0.000	0.000	0.000	0.000
981	A	1014	GLU	-1	-0.823	-0.956	6.739	1.186	1.186	0.000	0.000	0.000	0.000
982	A	1015	GLU	-1	-0.931	-0.955	2.736	-4.611	-2.349	0.991	-1.469	-1.783	-0.015
983	A	1016	SER	0	-0.048	-0.036	4.655	-0.249	-0.172	-0.001	-0.002	-0.074	0.000
984	A	1017	GLU	-1	-0.923	-0.938	7.278	0.940	0.940	0.000	0.000	0.000	0.000
985	A	1018	GLN	0	0.131	0.053	2.221	-6.897	-7.219	10.890	-4.847	-5.721	-0.039
986	A	1019	ALA	0	-0.006	0.005	4.110	-0.017	0.124	-0.001	-0.020	-0.121	0.000
987	A	1020	THR	0	-0.047	-0.030	4.919	0.053	0.055	-0.001	-0.002	0.001	0.000
988	A	1021	GLU	-1	-0.916	-0.961	7.681	1.606	1.606	0.000	0.000	0.000	0.000
989	A	1022	MET	0	-0.077	-0.043	2.801	-1.131	-0.919	2.459	-0.796	-1.875	-0.002
990	A	1023	LEU	0	-0.009	-0.011	6.874	-0.100	-0.100	0.000	0.000	0.000	0.000
991	A	1024	VAL	0	0.009	-0.008	9.757	-0.002	-0.002	0.000	0.000	0.000	0.000
992	A	1025	HIS	1	0.911	0.974	9.560	-1.044	-1.044	0.000	0.000	0.000	0.000
993	A	1026	ASN	0	0.031	0.016	8.892	-0.098	-0.098	0.000	0.000	0.000	0.000
994	A	1027	ALA	0	0.025	0.012	11.992	-0.049	-0.049	0.000	0.000	0.000	0.000
995	A	1028	GLN	0	-0.056	-0.024	14.300	0.049	0.049	0.000	0.000	0.000	0.000
996	A	1029	ASN	0	0.020	-0.004	12.497	-0.031	-0.031	0.000	0.000	0.000	0.000
997	A	1030	LEU	0	-0.015	0.009	16.024	-0.030	-0.030	0.000	0.000	0.000	0.000
998	A	1031	MET	0	0.022	0.020	17.856	-0.021	-0.021	0.000	0.000	0.000	0.000
999	A	1032	GLN	0	-0.022	-0.013	19.525	-0.010	-0.010	0.000	0.000	0.000	0.000
1000	A	1033	SER	0	0.038	0.005	19.042	-0.010	-0.010	0.000	0.000	0.000	0.000
1001	A	1034	VAL	0	0.024	0.028	21.697	-0.021	-0.021	0.000	0.000	0.000	0.000
1002	A	1035	LYS	1	0.896	0.975	21.800	-0.203	-0.203	0.000	0.000	0.000	0.000
1003	A	1036	GLU	-1	-0.886	-0.967	23.678	0.211	0.211	0.000	0.000	0.000	0.000
1004	A	1037	THR	0	-0.019	-0.027	24.883	-0.011	-0.011	0.000	0.000	0.000	0.000
1005	A	1038	VAL	0	-0.012	-0.006	27.488	-0.011	-0.011	0.000	0.000	0.000	0.000
1006	A	1039	ARG	1	0.936	0.971	29.084	-0.128	-0.128	0.000	0.000	0.000	0.000
1007	A	1040	GLU	-1	-0.804	-0.911	29.950	0.098	0.098	0.000	0.000	0.000	0.000
1008	A	1041	ALA	0	-0.050	-0.020	31.489	-0.008	-0.008	0.000	0.000	0.000	0.000
1009	A	1042	GLU	-1	-0.936	-0.988	33.061	0.050	0.050	0.000	0.000	0.000	0.000
1010	A	1043	ALA	0	0.023	0.028	34.657	-0.002	-0.002	0.000	0.000	0.000	0.000
1011	A	1044	ALA	0	-0.021	-0.035	35.287	-0.002	-0.002	0.000	0.000	0.000	0.000
1012	A	1045	SER	0	-0.040	-0.007	37.118	-0.008	-0.008	0.000	0.000	0.000	0.000
1013	A	1046	ILE	0	0.041	0.019	39.313	-0.004	-0.004	0.000	0.000	0.000	0.000
1014	A	1047	LYS	1	0.888	0.956	40.283	-0.050	-0.050	0.000	0.000	0.000	0.000
1015	A	1048	ILE	0	0.017	0.044	39.907	-0.001	-0.001	0.000	0.000	0.000	0.000
1016	A	1049	ARG	1	0.930	0.931	42.742	-0.024	-0.024	0.000	0.000	0.000	0.000
1017	A	1050	THR	0	-0.028	-0.016	46.263	-0.001	-0.001	0.000	0.000	0.000	0.000
1018	A	1051	ASP	-1	-0.978	-0.986	45.957	0.008	0.008	0.000	0.000	0.000	0.000
1019	A	1052	ALA	0	0.030	0.034	43.625	-0.003	-0.003	0.000	0.000	0.000	0.000
1020	A	1053	GLY	0	0.024	0.010	42.183	-0.001	-0.001	0.000	0.000	0.000	0.000
1021	A	1054	PHE	0	-0.023	-0.029	42.518	0.003	0.003	0.000	0.000	0.000	0.000
1022	A	1055	THR	0	0.043	0.029	40.150	-0.001	-0.001	0.000	0.000	0.000	0.000
1023	A	1056	LEU	0	-0.061	0.008	35.115	-0.004	-0.004	0.000	0.000	0.000	0.000
1024	A	1057	ARG	1	0.913	0.922	39.077	-0.003	-0.003	0.000	0.000	0.000	0.000
1025	A	1058	TRP	0	0.051	0.037	33.261	0.000	0.000	0.000	0.000	0.000	0.000
1026	A	1059	VAL	0	0.040	0.014	39.995	0.001	0.001	0.000	0.000	0.000	0.000
1027	A	1060	ARG	1	0.915	0.957	38.468	-0.058	-0.058	0.000	0.000	0.000	0.000
1028	A	1061	LYS	1	0.778	0.896	37.464	-0.022	-0.022	0.000	0.000	0.000	0.000

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