FMO DATABASE

FMODB ID: GN5V1

Calculation Name: 3ZXW-ABEF-Xray434

Preferred Name:

Target Type:

Ligand Name: 2-carboxyarabinitol-1,5-diphosphate

ligand 3-letter code: CAP

PDB ID: 3ZXW

Chain ID: ABEF

ChEMBL ID:

UniProt ID: Q8DIS5

Base Structure: X-ray

Registration Date: 2023-09-26

Reference: M. Fujii, S. Tanaka, Interspecies Comparison of Interaction Energies between Photosynthetic Protein RuBisCO and 2CABP Ligand, Int. J. Mol. Sci. 2022, 23(19), 11347.

DOI: 10.3390/ijms231911347

IFIE MAP

IFIE Diagram

Modeling method

Optimization	MOE:Amber10:EHT
Restraint	OptH
Protonation	MOE:Protonate 3D
Complement	MOE:Structure Preparation
Water	No
Procedure	Manual calculation

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Manual
Number of fragment	1115
LigandResidueName	CAP
LigandFragmentNumber	558
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-38639837.872432
FMO2-HF: Nuclear repulsion	38190097.860426
FMO2-HF: Total energy	-449740.012007
FMO2-MP2: Total energy	-451031.408331

3D Structure

Snapshot

Ligand structure

CAP

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.
-313.556	-329.158	183.997	-84.954	-83.445	-0.722

Interactive mode: IFIE and PIEDA for fragment #558(A:477:CAP)

Summations of interaction energy for fragment #558(A:477:CAP)

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.
-313.556	-329.158	183.997	-84.954	-83.445	0.722

Interaction energy analysis for fragmet #558(A:477:CAP)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : -4 / q_Mulliken : -3.262 / q_NPA : -3.619

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].
162	A	173	THR	0	0.080	0.003	2.029	-13.718	-10.631	1.405	-1.950	-2.543	-0.003
163	A	174	ILE	0	-0.034	-0.018	4.671	6.927	7.081	-0.001	-0.008	-0.145	0.000
164	A	175	LYS	1	0.848	0.919	2.110	-223.360	-219.856	6.031	-4.011	-5.524	0.061
166	A	177	LYS	1	0.776	0.892	4.323	-158.887	-158.541	-0.001	-0.111	-0.235	0.000
189	A	201	KCX	-1	-0.527	-0.825	1.636	179.021	167.365	30.175	-10.731	-7.788	-0.093
191	A	203	ASP	0	0.219	0.054	4.630	6.073	6.172	-0.002	-0.022	-0.075	0.000
192	A	204	GLU	0	0.144	-0.031	4.276	-15.906	-15.634	-0.001	-0.042	-0.229	0.000
283	A	294	HIS	0	0.089	0.015	1.944	-6.300	-6.718	7.187	-2.751	-4.019	0.016
284	A	295	ARG	1	0.757	0.841	1.650	-280.455	-286.258	31.170	-15.404	-9.963	0.191
285	A	296	ALA	0	0.039	0.014	4.962	1.390	1.487	-0.001	-0.012	-0.084	0.000
287	A	298	HIS	1	0.845	0.894	3.377	-175.902	-173.929	0.063	-0.990	-1.045	0.009
316	A	327	HIS	0	0.053	0.067	1.874	-55.357	-51.987	9.885	-6.732	-6.523	0.088
317	A	328	THR	0	-0.003	-0.015	4.740	-7.722	-7.562	-0.001	-0.018	-0.141	0.000
318	A	329	GLY	0	0.045	0.024	3.422	-11.521	-10.290	0.046	-0.651	-0.627	0.005
319	A	330	THR	0	0.011	0.007	4.407	-19.881	-19.662	0.000	-0.042	-0.178	0.000
323	A	334	LYS	1	0.788	0.881	1.853	-269.079	-270.145	13.094	-6.566	-5.461	0.084
324	A	335	LEU	0	-0.014	0.000	2.635	-19.802	-16.199	1.213	-1.802	-3.014	0.015
325	A	336	GLU	-1	-0.813	-0.906	5.547	85.756	85.825	-0.001	-0.002	-0.067	0.000
326	A	337	GLY	0	0.031	0.003	5.568	14.730	14.859	-0.001	-0.003	-0.125	0.000
367	A	378	ALA	0	0.026	0.025	5.127	16.775	16.928	-0.001	-0.004	-0.148	0.000
368	A	379	SER	0	-0.002	-0.029	2.084	-26.644	-21.684	5.613	-4.985	-5.588	0.025
369	A	380	GLY	0	0.072	0.033	2.159	10.363	12.585	8.532	-5.182	-5.572	0.021
370	A	381	GLY	0	-0.026	-0.023	1.806	-45.058	-51.538	11.463	-1.034	-3.949	0.058
371	A	382	ILE	0	-0.070	-0.011	3.773	-31.266	-30.494	0.032	-0.369	-0.435	0.004
390	A	401	GLN	0	0.043	0.007	4.301	-23.216	-23.064	-0.001	-0.011	-0.140	0.000
391	A	402	PHE	0	0.001	-0.008	3.569	17.630	18.606	0.029	-0.402	-0.604	0.002
392	A	403	GLY	0	0.035	0.026	1.783	-41.175	-45.905	15.640	-6.757	-4.154	0.077
393	A	404	GLY	0	0.050	-0.003	1.737	-52.026	-62.585	16.019	-1.552	-3.908	0.059
394	A	405	GLY	0	-0.042	-0.021	3.647	-31.524	-30.712	0.039	-0.388	-0.463	0.006
607	E	60	GLU	-1	-0.794	-0.899	5.098	177.349	177.382	-0.001	-0.017	-0.015	0.000
612	E	65	THR	0	-0.037	-0.051	1.632	-10.665	-19.346	21.137	-8.471	-3.984	0.071
613	E	66	TRP	0	0.007	0.001	2.453	-50.752	-47.916	2.904	-2.378	-3.362	0.033
670	E	123	ASN	0	0.084	0.015	2.542	6.393	8.852	2.333	-1.548	-3.244	-0.007
671	E	124	VAL	0	0.023	0.017	4.804	4.484	4.587	-0.001	-0.008	-0.093	0.000
1	A	12	GLY	0	0.002	-0.016	53.162	-0.196	-0.196	0.000	0.000	0.000	0.000
2	A	13	TYR	0	-0.042	-0.025	47.690	0.476	0.476	0.000	0.000	0.000	0.000
3	A	14	GLN	0	-0.040	-0.020	50.197	-0.533	-0.533	0.000	0.000	0.000	0.000
4	A	15	ALA	0	0.021	0.020	48.731	0.439	0.439	0.000	0.000	0.000	0.000
5	A	16	GLY	0	0.038	0.020	47.621	-0.311	-0.311	0.000	0.000	0.000	0.000
6	A	17	VAL	0	0.003	-0.003	42.428	0.287	0.287	0.000	0.000	0.000	0.000
7	A	18	LYS	1	0.896	0.953	43.515	-26.926	-26.926	0.000	0.000	0.000	0.000
8	A	19	ASP	-1	-0.900	-0.940	41.368	28.191	28.191	0.000	0.000	0.000	0.000
9	A	20	TYR	0	-0.019	-0.024	35.787	-0.325	-0.325	0.000	0.000	0.000	0.000
10	A	21	ARG	1	0.943	0.949	38.631	-28.832	-28.832	0.000	0.000	0.000	0.000
11	A	22	LEU	0	-0.064	-0.029	39.520	-0.298	-0.298	0.000	0.000	0.000	0.000
12	A	23	THR	0	-0.039	-0.012	40.053	-0.622	-0.622	0.000	0.000	0.000	0.000
13	A	24	TYR	0	0.026	-0.001	35.369	-0.125	-0.125	0.000	0.000	0.000	0.000
14	A	25	TYR	0	-0.012	0.004	35.712	0.582	0.582	0.000	0.000	0.000	0.000
15	A	26	THR	0	-0.017	-0.027	37.042	-0.796	-0.796	0.000	0.000	0.000	0.000
16	A	27	PRO	0	0.011	0.016	37.460	0.507	0.507	0.000	0.000	0.000	0.000
17	A	28	ASP	-1	-0.904	-0.939	38.545	27.635	27.635	0.000	0.000	0.000	0.000
18	A	29	TYR	0	-0.123	-0.078	34.350	-0.796	-0.796	0.000	0.000	0.000	0.000
19	A	30	THR	0	-0.014	-0.013	36.868	0.413	0.413	0.000	0.000	0.000	0.000
20	A	31	PRO	0	-0.026	-0.012	32.077	-0.334	-0.334	0.000	0.000	0.000	0.000
21	A	32	LYS	1	0.943	0.979	34.191	-31.471	-31.471	0.000	0.000	0.000	0.000
22	A	33	ASP	-1	-0.879	-0.944	32.056	35.236	35.236	0.000	0.000	0.000	0.000
23	A	34	THR	0	-0.059	-0.047	31.102	0.647	0.647	0.000	0.000	0.000	0.000
24	A	35	ASP	-1	-0.803	-0.875	30.844	34.570	34.570	0.000	0.000	0.000	0.000
25	A	36	ILE	0	-0.005	0.000	24.532	0.973	0.973	0.000	0.000	0.000	0.000
26	A	37	LEU	0	-0.046	-0.010	26.012	-1.030	-1.030	0.000	0.000	0.000	0.000
27	A	38	ALA	0	0.027	0.024	23.576	2.117	2.117	0.000	0.000	0.000	0.000
28	A	39	ALA	0	0.015	0.021	22.516	-1.805	-1.805	0.000	0.000	0.000	0.000
29	A	40	PHE	0	0.010	-0.008	22.148	2.652	2.652	0.000	0.000	0.000	0.000
30	A	41	ARG	1	0.855	0.920	19.347	-53.820	-53.820	0.000	0.000	0.000	0.000
31	A	42	VAL	0	0.008	-0.008	23.501	0.973	0.973	0.000	0.000	0.000	0.000
32	A	43	THR	0	0.005	0.008	25.549	-0.016	-0.016	0.000	0.000	0.000	0.000
33	A	44	PRO	0	0.025	0.020	27.504	0.314	0.314	0.000	0.000	0.000	0.000
34	A	45	GLN	0	-0.018	-0.010	30.881	-0.275	-0.275	0.000	0.000	0.000	0.000
35	A	46	PRO	0	0.011	-0.009	33.025	-0.572	-0.572	0.000	0.000	0.000	0.000
36	A	47	GLY	0	-0.020	-0.002	35.861	-0.420	-0.420	0.000	0.000	0.000	0.000
37	A	48	VAL	0	-0.022	-0.001	35.014	-0.798	-0.798	0.000	0.000	0.000	0.000
38	A	49	PRO	0	-0.011	-0.002	35.873	0.560	0.560	0.000	0.000	0.000	0.000
39	A	50	PHE	0	0.072	0.020	32.546	0.529	0.529	0.000	0.000	0.000	0.000
40	A	51	GLU	-1	-0.895	-0.955	34.061	31.301	31.301	0.000	0.000	0.000	0.000
41	A	52	GLU	-1	-0.768	-0.891	36.173	30.372	30.372	0.000	0.000	0.000	0.000
42	A	53	ALA	0	-0.016	0.001	31.542	0.356	0.356	0.000	0.000	0.000	0.000
43	A	54	ALA	0	0.021	-0.006	30.988	0.887	0.887	0.000	0.000	0.000	0.000
44	A	55	ALA	0	-0.017	0.003	31.839	0.483	0.483	0.000	0.000	0.000	0.000
45	A	56	ALA	0	0.019	0.013	32.830	-0.041	-0.041	0.000	0.000	0.000	0.000
46	A	57	VAL	0	0.002	0.010	27.020	0.332	0.332	0.000	0.000	0.000	0.000
47	A	58	ALA	0	0.018	0.026	29.507	0.622	0.622	0.000	0.000	0.000	0.000
48	A	59	ALA	0	0.002	0.019	31.233	-0.067	-0.067	0.000	0.000	0.000	0.000
49	A	60	GLU	-1	-0.811	-0.915	30.827	33.736	33.736	0.000	0.000	0.000	0.000
50	A	61	SER	0	-0.040	-0.007	27.095	0.636	0.636	0.000	0.000	0.000	0.000
51	A	62	SER	0	-0.028	-0.042	28.948	0.052	0.052	0.000	0.000	0.000	0.000
52	A	63	THR	0	-0.027	-0.016	31.701	-0.290	-0.290	0.000	0.000	0.000	0.000
53	A	64	GLY	0	-0.003	0.007	34.772	-0.851	-0.851	0.000	0.000	0.000	0.000
54	A	65	THR	0	-0.045	-0.065	35.037	0.904	0.904	0.000	0.000	0.000	0.000
55	A	66	TRP	0	0.009	-0.001	37.160	-0.623	-0.623	0.000	0.000	0.000	0.000
56	A	67	THR	0	-0.009	-0.003	38.816	-0.742	-0.742	0.000	0.000	0.000	0.000
57	A	68	THR	0	-0.046	-0.018	41.981	0.480	0.480	0.000	0.000	0.000	0.000
58	A	69	VAL	0	0.033	0.015	41.788	-0.424	-0.424	0.000	0.000	0.000	0.000
59	A	70	TRP	0	-0.025	-0.034	44.702	-0.169	-0.169	0.000	0.000	0.000	0.000
60	A	71	THR	0	-0.068	-0.086	42.908	-0.331	-0.331	0.000	0.000	0.000	0.000
61	A	72	ASP	-1	-0.789	-0.909	41.836	28.134	28.134	0.000	0.000	0.000	0.000
62	A	73	LEU	0	-0.063	-0.035	44.138	-0.055	-0.055	0.000	0.000	0.000	0.000
63	A	74	LEU	0	-0.113	-0.041	46.048	-0.461	-0.461	0.000	0.000	0.000	0.000
64	A	75	THR	0	-0.075	-0.042	41.624	-0.102	-0.102	0.000	0.000	0.000	0.000
65	A	76	ASP	-1	-0.878	-0.940	43.235	26.173	26.173	0.000	0.000	0.000	0.000
66	A	77	LEU	0	0.023	0.000	39.268	0.628	0.628	0.000	0.000	0.000	0.000
67	A	78	ASP	-1	-0.858	-0.932	39.690	27.934	27.934	0.000	0.000	0.000	0.000
68	A	79	ARG	1	0.832	0.920	39.638	-27.453	-27.453	0.000	0.000	0.000	0.000
69	A	80	TYR	0	-0.040	-0.018	36.445	0.254	0.254	0.000	0.000	0.000	0.000
70	A	81	LYS	1	0.839	0.939	35.070	-28.041	-28.041	0.000	0.000	0.000	0.000
71	A	82	GLY	0	0.053	0.025	32.125	0.263	0.263	0.000	0.000	0.000	0.000
72	A	83	CYS	0	-0.102	-0.051	32.786	-0.632	-0.632	0.000	0.000	0.000	0.000
73	A	84	CYS	0	-0.011	0.006	31.751	0.804	0.804	0.000	0.000	0.000	0.000
74	A	85	TYR	0	0.011	-0.012	29.714	-0.621	-0.621	0.000	0.000	0.000	0.000
75	A	86	ASP	-1	-0.888	-0.945	31.616	34.527	34.527	0.000	0.000	0.000	0.000
76	A	87	ILE	0	-0.026	-0.013	31.504	1.026	1.026	0.000	0.000	0.000	0.000
77	A	88	GLU	-1	-0.775	-0.858	27.818	40.343	40.343	0.000	0.000	0.000	0.000
78	A	89	PRO	0	-0.022	-0.021	29.363	1.221	1.221	0.000	0.000	0.000	0.000
79	A	90	LEU	0	-0.003	0.001	24.872	0.382	0.382	0.000	0.000	0.000	0.000
80	A	91	PRO	0	-0.003	-0.004	28.907	0.223	0.223	0.000	0.000	0.000	0.000
81	A	92	GLY	0	-0.051	-0.020	28.064	-0.499	-0.499	0.000	0.000	0.000	0.000
82	A	93	GLU	-1	-0.940	-0.967	23.514	48.736	48.736	0.000	0.000	0.000	0.000
83	A	94	ASP	-1	-0.948	-0.969	26.885	36.789	36.789	0.000	0.000	0.000	0.000
84	A	95	ASN	0	-0.037	-0.021	28.194	-0.100	-0.100	0.000	0.000	0.000	0.000
85	A	96	GLN	0	0.058	0.017	22.847	1.039	1.039	0.000	0.000	0.000	0.000
86	A	97	PHE	0	-0.024	-0.016	27.676	-1.116	-1.116	0.000	0.000	0.000	0.000
87	A	98	ILE	0	-0.007	0.005	23.533	1.568	1.568	0.000	0.000	0.000	0.000
88	A	99	ALA	0	0.005	0.006	26.906	-1.715	-1.715	0.000	0.000	0.000	0.000
89	A	100	TYR	0	-0.030	-0.025	26.102	2.445	2.445	0.000	0.000	0.000	0.000
90	A	101	ILE	0	-0.016	-0.013	27.736	-1.632	-1.632	0.000	0.000	0.000	0.000
91	A	102	ALA	0	-0.006	0.002	28.376	1.195	1.195	0.000	0.000	0.000	0.000
92	A	103	TYR	0	-0.032	-0.044	26.495	-0.476	-0.476	0.000	0.000	0.000	0.000
93	A	104	PRO	0	0.049	0.028	30.544	0.604	0.604	0.000	0.000	0.000	0.000
94	A	105	LEU	0	0.028	-0.001	29.887	0.635	0.635	0.000	0.000	0.000	0.000
95	A	106	ASP	-1	-0.930	-0.971	31.278	32.380	32.380	0.000	0.000	0.000	0.000
96	A	107	LEU	0	-0.068	-0.033	30.569	-0.383	-0.383	0.000	0.000	0.000	0.000
97	A	108	PHE	0	-0.017	0.000	25.902	0.732	0.732	0.000	0.000	0.000	0.000
98	A	109	GLU	-1	-0.794	-0.876	27.377	37.976	37.976	0.000	0.000	0.000	0.000
99	A	110	GLU	-1	-0.798	-0.892	26.839	37.300	37.300	0.000	0.000	0.000	0.000
100	A	111	GLY	0	0.008	0.011	24.704	-0.055	-0.055	0.000	0.000	0.000	0.000
101	A	112	SER	0	-0.024	-0.007	23.197	2.291	2.291	0.000	0.000	0.000	0.000
102	A	113	VAL	0	0.051	0.018	16.904	-0.732	-0.732	0.000	0.000	0.000	0.000
103	A	114	THR	0	0.002	0.003	20.306	1.157	1.157	0.000	0.000	0.000	0.000
104	A	115	ASN	0	0.001	0.010	21.152	-0.634	-0.634	0.000	0.000	0.000	0.000
105	A	116	MET	0	-0.014	0.004	19.683	-1.136	-1.136	0.000	0.000	0.000	0.000
106	A	117	LEU	0	-0.006	-0.014	16.429	-0.484	-0.484	0.000	0.000	0.000	0.000
107	A	118	THR	0	-0.010	0.010	20.884	0.409	0.409	0.000	0.000	0.000	0.000
108	A	119	SER	0	0.017	0.007	23.585	-1.361	-1.361	0.000	0.000	0.000	0.000
109	A	120	ILE	0	-0.033	-0.001	22.493	-0.585	-0.585	0.000	0.000	0.000	0.000
110	A	121	VAL	0	-0.011	-0.029	18.739	-0.115	-0.115	0.000	0.000	0.000	0.000
111	A	122	GLY	0	0.014	0.029	21.990	0.875	0.875	0.000	0.000	0.000	0.000
112	A	123	ASN	0	0.087	0.017	24.043	1.423	1.423	0.000	0.000	0.000	0.000
113	A	124	VAL	0	0.025	0.016	24.557	-0.249	-0.249	0.000	0.000	0.000	0.000
114	A	125	PHE	0	0.022	0.013	19.919	-0.770	-0.770	0.000	0.000	0.000	0.000
115	A	126	GLY	0	0.020	0.015	24.178	0.521	0.521	0.000	0.000	0.000	0.000
116	A	127	PHE	0	0.004	0.007	26.555	-1.371	-1.371	0.000	0.000	0.000	0.000
117	A	128	LYS	1	0.835	0.911	29.675	-32.381	-32.381	0.000	0.000	0.000	0.000
118	A	129	ALA	0	-0.009	0.005	32.069	0.096	0.096	0.000	0.000	0.000	0.000
119	A	130	LEU	0	-0.041	-0.020	27.299	-0.320	-0.320	0.000	0.000	0.000	0.000
120	A	131	LYS	1	0.954	0.981	27.723	-39.314	-39.314	0.000	0.000	0.000	0.000
121	A	132	ALA	0	-0.021	-0.017	22.763	1.370	1.370	0.000	0.000	0.000	0.000
122	A	133	LEU	0	-0.009	0.007	22.667	-1.620	-1.620	0.000	0.000	0.000	0.000
123	A	134	ARG	1	0.845	0.925	13.462	-65.284	-65.284	0.000	0.000	0.000	0.000
124	A	135	LEU	0	-0.033	0.015	18.399	-1.819	-1.819	0.000	0.000	0.000	0.000
125	A	136	GLU	-1	-0.782	-0.888	17.519	62.702	62.702	0.000	0.000	0.000	0.000
126	A	137	ASP	-1	-0.809	-0.926	17.515	58.275	58.275	0.000	0.000	0.000	0.000
127	A	138	LEU	0	0.007	-0.008	19.209	-1.901	-1.901	0.000	0.000	0.000	0.000
128	A	139	ARG	1	0.843	0.942	21.087	-38.475	-38.475	0.000	0.000	0.000	0.000
129	A	140	ILE	0	0.029	-0.009	20.367	-1.737	-1.737	0.000	0.000	0.000	0.000
130	A	141	PRO	0	0.016	0.038	23.862	0.100	0.100	0.000	0.000	0.000	0.000
131	A	142	VAL	0	0.103	0.028	26.781	0.490	0.490	0.000	0.000	0.000	0.000
132	A	143	ALA	0	-0.026	-0.025	28.274	0.161	0.161	0.000	0.000	0.000	0.000
133	A	144	TYR	0	0.019	-0.013	23.762	0.147	0.147	0.000	0.000	0.000	0.000
134	A	145	LEU	0	0.054	0.041	21.849	0.570	0.570	0.000	0.000	0.000	0.000
135	A	146	LYS	1	0.906	0.959	25.239	-38.384	-38.384	0.000	0.000	0.000	0.000
136	A	147	THR	0	-0.089	-0.050	26.877	-0.429	-0.429	0.000	0.000	0.000	0.000
137	A	148	PHE	0	-0.010	-0.006	21.509	0.372	0.372	0.000	0.000	0.000	0.000
138	A	149	GLN	0	-0.070	-0.042	20.899	-3.273	-3.273	0.000	0.000	0.000	0.000
139	A	150	GLY	0	0.043	0.026	19.733	-0.641	-0.641	0.000	0.000	0.000	0.000
140	A	151	PRO	0	-0.031	-0.017	16.927	0.029	0.029	0.000	0.000	0.000	0.000
141	A	152	PRO	0	-0.020	0.009	17.687	-3.176	-3.176	0.000	0.000	0.000	0.000
142	A	153	HIS	0	-0.047	-0.018	19.449	-5.323	-5.323	0.000	0.000	0.000	0.000
143	A	154	GLY	0	0.041	0.018	17.932	-2.074	-2.074	0.000	0.000	0.000	0.000
144	A	155	ILE	0	-0.031	-0.018	15.804	-1.194	-1.194	0.000	0.000	0.000	0.000
145	A	156	GLN	0	-0.043	-0.022	18.430	-0.082	-0.082	0.000	0.000	0.000	0.000
146	A	157	VAL	0	0.067	0.034	22.121	-0.651	-0.651	0.000	0.000	0.000	0.000
147	A	158	GLU	-1	-0.786	-0.874	15.764	72.583	72.583	0.000	0.000	0.000	0.000
148	A	159	ARG	1	0.801	0.890	17.539	-62.878	-62.878	0.000	0.000	0.000	0.000
149	A	160	ASP	-1	-0.815	-0.887	21.229	45.381	45.381	0.000	0.000	0.000	0.000
150	A	161	LYS	1	0.798	0.908	21.483	-52.285	-52.285	0.000	0.000	0.000	0.000
151	A	162	LEU	0	-0.019	-0.008	17.184	-0.990	-0.990	0.000	0.000	0.000	0.000
152	A	163	ASN	0	-0.048	-0.014	21.687	-0.201	-0.201	0.000	0.000	0.000	0.000
153	A	164	LYS	1	0.790	0.902	17.938	-61.825	-61.825	0.000	0.000	0.000	0.000
154	A	165	TYR	0	-0.024	-0.046	21.428	1.247	1.247	0.000	0.000	0.000	0.000
155	A	166	GLY	0	0.000	-0.001	22.396	-0.014	-0.014	0.000	0.000	0.000	0.000
156	A	167	ARG	1	0.808	0.896	15.828	-66.348	-66.348	0.000	0.000	0.000	0.000
157	A	168	PRO	0	0.004	0.022	13.948	-0.100	-0.100	0.000	0.000	0.000	0.000
158	A	169	LEU	0	-0.042	-0.018	13.667	-2.663	-2.663	0.000	0.000	0.000	0.000
159	A	170	LEU	0	-0.003	0.002	10.186	5.519	5.519	0.000	0.000	0.000	0.000
160	A	171	GLY	0	0.052	0.016	8.885	-6.150	-6.150	0.000	0.000	0.000	0.000
161	A	172	CYS	0	-0.086	-0.019	5.749	6.851	6.851	0.000	0.000	0.000	0.000
165	A	176	PRO	0	0.053	0.059	7.035	-8.684	-8.684	0.000	0.000	0.000	0.000
167	A	178	LEU	0	-0.012	-0.009	7.587	-5.933	-5.933	0.000	0.000	0.000	0.000
168	A	179	GLY	0	0.067	0.028	11.189	-0.160	-0.160	0.000	0.000	0.000	0.000
169	A	180	LEU	0	-0.029	0.004	11.421	-5.456	-5.456	0.000	0.000	0.000	0.000
170	A	181	SER	0	0.059	0.024	14.800	-0.456	-0.456	0.000	0.000	0.000	0.000
171	A	182	ALA	0	0.074	0.037	16.413	2.501	2.501	0.000	0.000	0.000	0.000
172	A	183	LYS	1	0.965	0.982	17.441	-47.000	-47.000	0.000	0.000	0.000	0.000
173	A	184	ASN	0	-0.018	-0.024	16.139	-1.381	-1.381	0.000	0.000	0.000	0.000
174	A	185	TYR	0	0.046	0.024	8.772	2.289	2.289	0.000	0.000	0.000	0.000
175	A	186	GLY	0	0.070	0.038	14.074	2.530	2.530	0.000	0.000	0.000	0.000
176	A	187	ARG	1	0.856	0.927	16.560	-55.195	-55.195	0.000	0.000	0.000	0.000
177	A	188	ALA	0	-0.002	-0.011	11.845	-0.843	-0.843	0.000	0.000	0.000	0.000
178	A	189	VAL	0	0.041	0.026	11.893	2.563	2.563	0.000	0.000	0.000	0.000
179	A	190	TYR	0	-0.079	-0.057	13.781	-0.481	-0.481	0.000	0.000	0.000	0.000
180	A	191	GLU	-1	-0.886	-0.954	14.976	56.967	56.967	0.000	0.000	0.000	0.000
181	A	193	LEU	0	0.023	0.024	12.876	-1.071	-1.071	0.000	0.000	0.000	0.000
182	A	194	ARG	1	0.887	0.936	15.173	-56.610	-56.610	0.000	0.000	0.000	0.000
183	A	195	GLY	0	-0.023	0.001	15.573	-2.584	-2.584	0.000	0.000	0.000	0.000
184	A	196	GLY	0	0.025	0.020	16.092	-0.004	-0.004	0.000	0.000	0.000	0.000
185	A	197	LEU	0	-0.014	0.000	9.374	0.465	0.465	0.000	0.000	0.000	0.000
186	A	198	ASP	-1	-0.764	-0.845	13.273	66.385	66.385	0.000	0.000	0.000	0.000
187	A	199	PHE	0	0.021	-0.002	10.743	-3.914	-3.914	0.000	0.000	0.000	0.000
188	A	200	THR	0	-0.018	-0.040	9.090	3.981	3.981	0.000	0.000	0.000	0.000
190	A	202	ASP	-1	-0.757	-0.852	7.226	86.355	86.355	0.000	0.000	0.000	0.000
194	A	205	ASN	0	0.009	-0.006	5.893	-4.137	-4.137	0.000	0.000	0.000	0.000
195	A	206	ILE	0	-0.052	0.006	8.563	-9.276	-9.276	0.000	0.000	0.000	0.000
196	A	207	ASN	0	-0.030	-0.013	10.538	-3.094	-3.094	0.000	0.000	0.000	0.000
197	A	208	SER	0	0.032	0.003	13.307	-2.166	-2.166	0.000	0.000	0.000	0.000
198	A	209	GLN	0	0.019	0.003	12.531	-1.457	-1.457	0.000	0.000	0.000	0.000
199	A	210	PRO	0	-0.022	-0.010	17.709	-1.059	-1.059	0.000	0.000	0.000	0.000
200	A	211	PHE	0	-0.030	0.005	13.014	-1.689	-1.689	0.000	0.000	0.000	0.000
201	A	212	GLN	0	-0.039	-0.021	13.176	0.247	0.247	0.000	0.000	0.000	0.000
202	A	213	ARG	1	0.833	0.922	17.008	-50.141	-50.141	0.000	0.000	0.000	0.000
203	A	214	TRP	0	0.049	0.011	16.991	0.215	0.215	0.000	0.000	0.000	0.000
204	A	215	ARG	1	0.968	0.997	17.945	-43.654	-43.654	0.000	0.000	0.000	0.000
205	A	216	ASP	-1	-0.901	-0.954	20.281	48.458	48.458	0.000	0.000	0.000	0.000
206	A	217	ARG	1	0.751	0.851	12.847	-74.885	-74.885	0.000	0.000	0.000	0.000
207	A	218	PHE	0	0.008	-0.011	15.041	0.917	0.917	0.000	0.000	0.000	0.000
208	A	219	LEU	0	0.025	0.015	18.322	-0.503	-0.503	0.000	0.000	0.000	0.000
209	A	220	PHE	0	-0.015	-0.015	18.719	-0.761	-0.761	0.000	0.000	0.000	0.000
210	A	221	VAL	0	-0.009	-0.006	14.039	0.365	0.365	0.000	0.000	0.000	0.000
211	A	222	ALA	0	0.050	0.023	17.011	0.586	0.586	0.000	0.000	0.000	0.000
212	A	223	ASP	-1	-0.931	-0.956	19.898	46.421	46.421	0.000	0.000	0.000	0.000
213	A	224	ALA	0	-0.099	-0.057	17.297	-0.951	-0.951	0.000	0.000	0.000	0.000
214	A	225	ILE	0	0.029	0.002	15.672	0.334	0.334	0.000	0.000	0.000	0.000
215	A	226	HIS	0	0.044	0.034	18.924	-0.376	-0.376	0.000	0.000	0.000	0.000
216	A	227	LYS	1	0.858	0.942	22.108	-47.394	-47.394	0.000	0.000	0.000	0.000
217	A	228	ALA	0	0.022	-0.002	18.915	-1.023	-1.023	0.000	0.000	0.000	0.000
218	A	229	GLN	0	0.006	0.018	20.907	1.982	1.982	0.000	0.000	0.000	0.000
219	A	230	ALA	0	-0.018	-0.004	22.230	-1.362	-1.362	0.000	0.000	0.000	0.000
220	A	231	GLU	-1	-0.905	-0.943	23.366	46.554	46.554	0.000	0.000	0.000	0.000
221	A	232	THR	0	-0.054	-0.040	19.944	-0.189	-0.189	0.000	0.000	0.000	0.000
222	A	233	GLY	0	-0.018	0.008	23.294	-0.648	-0.648	0.000	0.000	0.000	0.000
223	A	234	GLU	-1	-0.845	-0.919	19.762	56.742	56.742	0.000	0.000	0.000	0.000
224	A	235	ILE	0	0.007	0.007	19.798	0.804	0.804	0.000	0.000	0.000	0.000
225	A	236	LYS	1	0.857	0.946	16.675	-60.580	-60.580	0.000	0.000	0.000	0.000
226	A	237	GLY	0	0.027	0.007	15.507	-2.647	-2.647	0.000	0.000	0.000	0.000
227	A	238	HIS	0	-0.012	-0.005	10.244	3.323	3.323	0.000	0.000	0.000	0.000
228	A	239	TYR	0	-0.025	-0.027	7.320	-7.651	-7.651	0.000	0.000	0.000	0.000
229	A	240	LEU	0	-0.002	0.005	10.156	4.186	4.186	0.000	0.000	0.000	0.000
230	A	241	ASN	0	-0.013	-0.016	8.620	-5.074	-5.074	0.000	0.000	0.000	0.000
231	A	242	VAL	0	-0.018	-0.009	11.340	-3.811	-3.811	0.000	0.000	0.000	0.000
232	A	243	THR	0	-0.013	-0.002	10.357	-5.055	-5.055	0.000	0.000	0.000	0.000
233	A	244	ALA	0	-0.001	0.008	13.431	-0.708	-0.708	0.000	0.000	0.000	0.000
234	A	245	PRO	0	0.005	0.003	16.716	0.590	0.590	0.000	0.000	0.000	0.000
235	A	246	THR	0	0.008	-0.001	19.375	-0.621	-0.621	0.000	0.000	0.000	0.000
236	E	247	CYS	0	0.063	-0.002	20.593	1.210	1.210	0.000	0.000	0.000	0.000
237	A	248	GLU	-1	-0.841	-0.923	22.116	44.372	44.372	0.000	0.000	0.000	0.000
238	A	249	GLU	-1	-0.890	-0.941	19.985	49.237	49.237	0.000	0.000	0.000	0.000
239	A	250	MET	0	-0.011	0.004	16.795	1.499	1.499	0.000	0.000	0.000	0.000
240	A	251	LEU	0	0.018	-0.003	19.009	1.109	1.109	0.000	0.000	0.000	0.000
241	A	252	LYS	1	0.909	0.971	21.609	-44.728	-44.728	0.000	0.000	0.000	0.000
242	A	253	ARG	1	0.739	0.840	16.219	-58.809	-58.809	0.000	0.000	0.000	0.000
243	A	254	ALA	0	0.028	0.015	18.495	0.752	0.752	0.000	0.000	0.000	0.000
244	A	255	GLU	-1	-0.843	-0.935	19.349	43.843	43.843	0.000	0.000	0.000	0.000
245	A	256	PHE	0	-0.066	-0.017	20.873	-0.761	-0.761	0.000	0.000	0.000	0.000
246	A	257	ALA	0	0.021	0.003	17.892	-0.357	-0.357	0.000	0.000	0.000	0.000
247	A	258	LYS	1	0.940	0.978	19.909	-44.373	-44.373	0.000	0.000	0.000	0.000
248	A	259	GLU	-1	-0.980	-0.987	22.641	40.562	40.562	0.000	0.000	0.000	0.000
249	A	260	LEU	0	-0.098	-0.048	20.706	-1.036	-1.036	0.000	0.000	0.000	0.000
250	A	261	GLU	-1	-0.979	-0.984	23.224	42.743	42.743	0.000	0.000	0.000	0.000
251	A	262	MET	0	-0.072	-0.024	17.816	2.381	2.381	0.000	0.000	0.000	0.000
252	A	263	PRO	0	0.015	0.009	17.411	-0.250	-0.250	0.000	0.000	0.000	0.000
253	A	264	ILE	0	-0.070	-0.042	12.697	0.744	0.744	0.000	0.000	0.000	0.000
254	A	265	ILE	0	0.013	0.013	13.399	0.191	0.191	0.000	0.000	0.000	0.000
255	A	266	MET	0	-0.044	-0.010	5.312	2.361	2.361	0.000	0.000	0.000	0.000
256	A	267	HIS	0	-0.017	-0.029	10.164	-6.529	-6.529	0.000	0.000	0.000	0.000
257	A	268	ASP	-1	-0.770	-0.897	7.893	111.140	111.140	0.000	0.000	0.000	0.000
258	A	269	PHE	0	-0.020	-0.021	7.369	-5.446	-5.446	0.000	0.000	0.000	0.000
259	A	270	LEU	0	-0.032	-0.006	7.875	-6.183	-6.183	0.000	0.000	0.000	0.000
260	A	271	THR	0	-0.027	-0.015	10.037	-4.187	-4.187	0.000	0.000	0.000	0.000
261	A	272	ALA	0	0.016	0.020	12.391	-4.956	-4.956	0.000	0.000	0.000	0.000
262	A	273	GLY	0	0.037	0.003	13.823	-4.866	-4.866	0.000	0.000	0.000	0.000
263	A	274	PHE	0	0.069	0.001	13.353	0.553	0.553	0.000	0.000	0.000	0.000
264	A	275	THR	0	0.004	0.033	16.875	-0.766	-0.766	0.000	0.000	0.000	0.000
265	A	276	ALA	0	0.049	0.009	17.563	-1.291	-1.291	0.000	0.000	0.000	0.000
266	A	277	ASN	0	0.018	0.004	13.956	2.668	2.668	0.000	0.000	0.000	0.000
267	A	278	THR	0	-0.014	-0.009	16.641	0.024	0.024	0.000	0.000	0.000	0.000
268	A	279	THR	0	-0.020	-0.002	19.545	-1.262	-1.262	0.000	0.000	0.000	0.000
269	A	280	LEU	0	0.029	0.015	15.314	-1.492	-1.492	0.000	0.000	0.000	0.000
270	A	281	SER	0	0.005	0.001	17.580	-0.688	-0.688	0.000	0.000	0.000	0.000
271	A	282	LYS	1	0.950	0.976	19.226	-45.836	-45.836	0.000	0.000	0.000	0.000
272	A	283	TRP	0	0.007	0.003	19.659	0.050	0.050	0.000	0.000	0.000	0.000
273	A	284	CYS	0	-0.036	-0.018	18.122	-0.137	-0.137	0.000	0.000	0.000	0.000
274	A	285	ARG	1	0.815	0.899	20.845	-48.482	-48.482	0.000	0.000	0.000	0.000
275	A	286	ASP	-1	-0.959	-0.970	23.610	41.505	41.505	0.000	0.000	0.000	0.000
276	A	287	ASN	0	-0.108	-0.053	23.202	-2.578	-2.578	0.000	0.000	0.000	0.000
277	A	288	GLY	0	-0.045	-0.007	23.564	0.059	0.059	0.000	0.000	0.000	0.000
278	A	289	MET	0	-0.041	-0.001	17.536	1.129	1.129	0.000	0.000	0.000	0.000
279	A	290	LEU	0	-0.032	-0.015	16.025	0.114	0.114	0.000	0.000	0.000	0.000
280	A	291	LEU	0	0.017	-0.008	13.222	1.254	1.254	0.000	0.000	0.000	0.000
281	A	292	HIS	0	0.002	-0.009	5.628	-7.100	-7.100	0.000	0.000	0.000	0.000
282	A	293	ILE	0	-0.001	0.004	8.282	-0.514	-0.514	0.000	0.000	0.000	0.000
286	A	297	MET	0	-0.015	-0.018	5.851	-13.028	-13.028	0.000	0.000	0.000	0.000
288	A	299	ALA	0	0.011	0.020	6.602	-7.920	-7.920	0.000	0.000	0.000	0.000
289	A	300	VAL	0	-0.032	0.002	8.318	-7.949	-7.949	0.000	0.000	0.000	0.000
290	A	301	MET	0	-0.030	-0.024	10.632	-7.874	-7.874	0.000	0.000	0.000	0.000
291	A	302	ASP	-1	-0.782	-0.875	8.239	107.503	107.503	0.000	0.000	0.000	0.000
292	A	303	ARG	1	0.795	0.900	9.560	-94.821	-94.821	0.000	0.000	0.000	0.000
293	A	304	GLN	0	-0.025	-0.026	11.165	-4.669	-4.669	0.000	0.000	0.000	0.000
294	A	305	LYS	1	0.936	0.978	14.921	-55.592	-55.592	0.000	0.000	0.000	0.000
295	A	306	ASN	0	-0.014	-0.023	17.172	0.232	0.232	0.000	0.000	0.000	0.000
296	A	307	HIS	0	-0.028	-0.030	18.214	-3.597	-3.597	0.000	0.000	0.000	0.000
297	A	308	GLY	0	0.039	0.041	16.069	2.990	2.990	0.000	0.000	0.000	0.000
298	A	309	ILE	0	-0.014	-0.022	14.358	-3.819	-3.819	0.000	0.000	0.000	0.000
299	A	310	HIS	0	0.012	0.022	12.025	4.852	4.852	0.000	0.000	0.000	0.000
300	A	311	PHE	0	0.086	0.027	6.895	1.812	1.812	0.000	0.000	0.000	0.000
301	A	312	ARG	1	0.897	0.940	10.665	-64.266	-64.266	0.000	0.000	0.000	0.000
302	A	313	VAL	0	-0.005	0.012	13.199	-2.530	-2.530	0.000	0.000	0.000	0.000
303	A	314	LEU	0	0.000	-0.006	9.800	-1.664	-1.664	0.000	0.000	0.000	0.000
304	A	315	ALA	0	-0.011	0.002	10.513	0.112	0.112	0.000	0.000	0.000	0.000
305	A	316	LYS	1	0.838	0.915	11.683	-57.439	-57.439	0.000	0.000	0.000	0.000
306	A	317	CYS	0	-0.007	-0.006	14.426	-3.319	-3.319	0.000	0.000	0.000	0.000
307	A	318	LEU	0	0.010	0.021	10.493	-2.528	-2.528	0.000	0.000	0.000	0.000
308	A	319	ARG	1	0.784	0.903	13.535	-60.547	-60.547	0.000	0.000	0.000	0.000
309	A	320	MET	0	-0.027	-0.020	15.667	-2.460	-2.460	0.000	0.000	0.000	0.000
310	A	321	SER	0	-0.063	-0.025	15.864	-1.091	-1.091	0.000	0.000	0.000	0.000
311	A	322	GLY	0	-0.001	-0.004	16.095	-2.687	-2.687	0.000	0.000	0.000	0.000
312	A	323	GLY	0	0.048	-0.001	13.360	2.288	2.288	0.000	0.000	0.000	0.000
313	A	324	ASP	-1	-0.751	-0.870	14.408	61.692	61.692	0.000	0.000	0.000	0.000
314	A	325	HIS	1	0.743	0.850	9.742	-87.658	-87.658	0.000	0.000	0.000	0.000
315	A	326	ILE	0	0.038	0.017	6.930	-1.400	-1.400	0.000	0.000	0.000	0.000
320	A	331	VAL	0	-0.001	0.020	7.104	-12.735	-12.735	0.000	0.000	0.000	0.000
321	A	332	VAL	0	-0.026	-0.028	9.183	-4.047	-4.047	0.000	0.000	0.000	0.000
322	A	333	GLY	0	0.013	0.019	7.007	-4.883	-4.883	0.000	0.000	0.000	0.000
327	A	338	ASP	-1	-0.811	-0.907	7.842	68.192	68.192	0.000	0.000	0.000	0.000
328	A	339	LYS	1	0.972	1.000	11.405	-65.120	-65.120	0.000	0.000	0.000	0.000
329	A	340	ALA	0	-0.002	0.003	13.354	0.076	0.076	0.000	0.000	0.000	0.000
330	A	341	VAL	0	0.005	0.005	11.284	-1.640	-1.640	0.000	0.000	0.000	0.000
331	A	342	THR	0	-0.038	-0.045	8.847	3.332	3.332	0.000	0.000	0.000	0.000
332	A	343	LEU	0	-0.037	-0.025	11.100	-0.222	-0.222	0.000	0.000	0.000	0.000
333	A	344	GLY	0	0.045	0.038	14.275	-2.310	-2.310	0.000	0.000	0.000	0.000
334	A	345	PHE	0	-0.014	-0.017	7.701	-1.760	-1.760	0.000	0.000	0.000	0.000
335	A	346	VAL	0	0.000	-0.001	10.675	1.576	1.576	0.000	0.000	0.000	0.000
336	A	347	ASP	-1	-0.869	-0.926	13.070	59.651	59.651	0.000	0.000	0.000	0.000
337	A	348	LEU	0	-0.068	-0.041	15.585	-1.915	-1.915	0.000	0.000	0.000	0.000
338	A	349	LEU	0	-0.022	-0.007	10.420	-1.436	-1.436	0.000	0.000	0.000	0.000
339	A	350	ARG	1	0.811	0.897	13.553	-74.564	-74.564	0.000	0.000	0.000	0.000
340	A	351	GLU	-1	-0.901	-0.935	16.640	52.973	52.973	0.000	0.000	0.000	0.000
341	A	352	ASN	0	0.005	-0.008	20.153	0.760	0.760	0.000	0.000	0.000	0.000
342	A	353	TYR	0	-0.019	-0.017	23.265	-1.060	-1.060	0.000	0.000	0.000	0.000
343	A	354	ILE	0	-0.014	0.017	19.640	0.717	0.717	0.000	0.000	0.000	0.000
344	A	355	GLU	-1	-0.872	-0.945	22.939	39.630	39.630	0.000	0.000	0.000	0.000
345	A	356	GLN	0	-0.039	-0.025	23.474	1.036	1.036	0.000	0.000	0.000	0.000
346	A	357	ASP	-1	-0.808	-0.891	21.740	48.517	48.517	0.000	0.000	0.000	0.000
347	A	358	ARG	1	0.879	0.925	21.315	-42.576	-42.576	0.000	0.000	0.000	0.000
348	A	359	SER	0	-0.105	-0.057	21.346	1.616	1.616	0.000	0.000	0.000	0.000
349	A	360	ARG	1	0.979	0.974	17.547	-56.147	-56.147	0.000	0.000	0.000	0.000
350	A	361	GLY	0	-0.017	-0.017	17.053	3.094	3.094	0.000	0.000	0.000	0.000
351	A	362	ILE	0	-0.052	-0.001	18.363	0.948	0.948	0.000	0.000	0.000	0.000
352	A	363	TYR	0	-0.004	-0.019	19.458	-1.782	-1.782	0.000	0.000	0.000	0.000
353	A	364	PHE	0	-0.030	-0.022	22.431	-2.465	-2.465	0.000	0.000	0.000	0.000
354	A	365	THR	0	0.026	0.022	23.082	1.957	1.957	0.000	0.000	0.000	0.000
355	A	366	GLN	0	-0.073	-0.038	20.528	0.156	0.156	0.000	0.000	0.000	0.000
356	A	367	ASP	-1	-0.845	-0.925	23.669	41.966	41.966	0.000	0.000	0.000	0.000
357	A	368	TRP	0	0.009	-0.015	17.829	0.179	0.179	0.000	0.000	0.000	0.000
358	A	369	ALA	0	-0.037	-0.018	23.744	-0.075	-0.075	0.000	0.000	0.000	0.000
359	A	370	SER	0	-0.077	-0.049	25.698	-1.108	-1.108	0.000	0.000	0.000	0.000
360	A	371	MET	0	-0.041	0.018	20.507	1.067	1.067	0.000	0.000	0.000	0.000
361	A	372	PRO	0	0.029	0.029	20.237	1.070	1.070	0.000	0.000	0.000	0.000
362	A	373	GLY	0	0.051	0.031	17.925	1.183	1.183	0.000	0.000	0.000	0.000
363	A	374	VAL	0	-0.029	-0.025	11.889	-0.457	-0.457	0.000	0.000	0.000	0.000
364	A	375	MET	0	-0.022	-0.005	12.357	1.222	1.222	0.000	0.000	0.000	0.000
365	A	376	ALA	0	0.020	0.015	9.463	4.664	4.664	0.000	0.000	0.000	0.000
366	A	377	VAL	0	0.000	0.020	5.306	-3.857	-3.857	0.000	0.000	0.000	0.000
372	A	383	HIS	0	0.029	-0.017	5.657	7.193	7.193	0.000	0.000	0.000	0.000
373	A	384	VAL	0	0.057	0.014	8.381	-4.389	-4.389	0.000	0.000	0.000	0.000
374	A	385	TRP	0	-0.078	-0.039	11.705	-6.627	-6.627	0.000	0.000	0.000	0.000
375	A	386	HIS	0	0.023	0.012	9.074	-0.126	-0.126	0.000	0.000	0.000	0.000
376	A	387	MET	0	-0.029	0.005	10.877	0.340	0.340	0.000	0.000	0.000	0.000
377	A	388	PRO	0	0.030	0.006	13.345	-0.837	-0.837	0.000	0.000	0.000	0.000
378	A	389	ALA	0	0.018	0.007	14.738	-1.844	-1.844	0.000	0.000	0.000	0.000
379	A	390	LEU	0	-0.007	0.002	9.448	-0.040	-0.040	0.000	0.000	0.000	0.000
380	A	391	VAL	0	-0.004	-0.007	13.400	-0.206	-0.206	0.000	0.000	0.000	0.000
381	A	392	ASP	-1	-0.947	-0.978	16.117	58.781	58.781	0.000	0.000	0.000	0.000
382	A	393	ILE	0	-0.077	-0.028	12.183	-2.155	-2.155	0.000	0.000	0.000	0.000
383	A	394	PHE	0	-0.007	-0.008	8.713	-0.190	-0.190	0.000	0.000	0.000	0.000
384	A	395	GLY	0	0.024	0.032	13.689	-2.550	-2.550	0.000	0.000	0.000	0.000
385	A	396	ASP	-1	-0.788	-0.918	15.578	62.831	62.831	0.000	0.000	0.000	0.000
386	A	397	ASP	-1	-0.899	-0.941	15.733	64.336	64.336	0.000	0.000	0.000	0.000
387	A	398	ALA	0	0.008	-0.007	10.957	3.192	3.192	0.000	0.000	0.000	0.000
388	A	399	VAL	0	-0.006	-0.002	9.479	-5.237	-5.237	0.000	0.000	0.000	0.000
389	A	400	LEU	0	-0.018	-0.013	8.819	9.351	9.351	0.000	0.000	0.000	0.000
395	A	406	THR	0	-0.062	-0.042	5.925	-20.786	-20.786	0.000	0.000	0.000	0.000
396	A	407	LEU	0	-0.007	-0.025	6.338	-13.469	-13.469	0.000	0.000	0.000	0.000
397	A	408	GLY	0	0.040	0.021	7.373	-7.169	-7.169	0.000	0.000	0.000	0.000
398	A	409	HIS	0	-0.051	-0.018	8.591	-6.099	-6.099	0.000	0.000	0.000	0.000
399	A	410	PRO	0	-0.006	-0.011	11.548	-2.063	-2.063	0.000	0.000	0.000	0.000
400	A	411	TRP	0	-0.040	-0.029	14.866	-2.615	-2.615	0.000	0.000	0.000	0.000
401	A	412	GLY	0	0.018	0.024	13.337	-2.740	-2.740	0.000	0.000	0.000	0.000
402	A	413	ASN	0	0.052	0.014	11.056	5.513	5.513	0.000	0.000	0.000	0.000
403	A	414	ALA	0	0.038	0.031	12.783	2.308	2.308	0.000	0.000	0.000	0.000
404	A	415	PRO	0	0.026	-0.003	15.328	0.191	0.191	0.000	0.000	0.000	0.000
405	A	416	GLY	0	0.050	0.028	11.502	0.069	0.069	0.000	0.000	0.000	0.000
406	A	417	ALA	0	-0.018	-0.004	11.296	3.675	3.675	0.000	0.000	0.000	0.000
407	A	418	THR	0	-0.019	-0.012	12.256	-0.952	-0.952	0.000	0.000	0.000	0.000
408	A	419	ALA	0	-0.041	-0.009	12.809	-1.633	-1.633	0.000	0.000	0.000	0.000
409	A	420	ASN	0	0.009	-0.003	8.374	-1.568	-1.568	0.000	0.000	0.000	0.000
410	A	421	ARG	1	0.738	0.854	12.049	-62.767	-62.767	0.000	0.000	0.000	0.000
411	A	422	VAL	0	0.000	-0.009	14.857	-2.653	-2.653	0.000	0.000	0.000	0.000
412	A	423	ALA	0	-0.025	-0.012	13.884	-2.218	-2.218	0.000	0.000	0.000	0.000
413	A	424	LEU	0	0.040	0.017	13.900	-1.682	-1.682	0.000	0.000	0.000	0.000
414	A	425	GLU	-1	-0.757	-0.901	15.806	53.323	53.323	0.000	0.000	0.000	0.000
415	A	426	ALA	0	-0.019	0.000	19.087	-2.951	-2.951	0.000	0.000	0.000	0.000
416	A	427	CYS	0	-0.045	-0.025	17.462	-1.765	-1.765	0.000	0.000	0.000	0.000
417	A	428	ILE	0	0.015	0.013	18.330	-1.279	-1.279	0.000	0.000	0.000	0.000
418	A	429	GLN	0	-0.017	-0.011	21.076	-3.798	-3.798	0.000	0.000	0.000	0.000
419	A	430	ALA	0	0.023	-0.002	22.871	-1.832	-1.832	0.000	0.000	0.000	0.000
420	A	431	ARG	1	0.891	0.948	19.848	-58.579	-58.579	0.000	0.000	0.000	0.000
421	A	432	ASN	0	-0.040	-0.016	24.444	-0.407	-0.407	0.000	0.000	0.000	0.000
422	A	433	GLU	-1	-0.956	-0.996	26.867	40.380	40.380	0.000	0.000	0.000	0.000
423	A	434	GLY	0	-0.083	-0.037	28.241	-1.616	-1.616	0.000	0.000	0.000	0.000
424	A	435	ARG	1	0.760	0.881	26.203	-45.662	-45.662	0.000	0.000	0.000	0.000
425	A	436	ASP	-1	-0.858	-0.933	25.487	50.400	50.400	0.000	0.000	0.000	0.000
426	A	437	LEU	0	0.040	-0.001	19.519	0.146	0.146	0.000	0.000	0.000	0.000
427	A	438	MET	0	-0.041	0.001	17.994	2.644	2.644	0.000	0.000	0.000	0.000
428	A	439	ARG	1	0.864	0.934	22.460	-43.906	-43.906	0.000	0.000	0.000	0.000
429	A	440	GLU	-1	-0.845	-0.911	24.734	43.845	43.845	0.000	0.000	0.000	0.000
430	A	441	GLY	0	0.052	0.031	20.343	0.378	0.378	0.000	0.000	0.000	0.000
431	A	442	GLY	0	-0.008	-0.026	20.085	1.151	1.151	0.000	0.000	0.000	0.000
432	A	443	ASP	-1	-0.941	-0.968	21.093	46.824	46.824	0.000	0.000	0.000	0.000
433	A	444	ILE	0	0.036	0.022	20.674	-0.754	-0.754	0.000	0.000	0.000	0.000
434	A	445	ILE	0	-0.009	-0.001	16.346	-0.123	-0.123	0.000	0.000	0.000	0.000
435	A	446	ARG	1	0.976	0.970	19.569	-52.105	-52.105	0.000	0.000	0.000	0.000
436	A	447	GLU	-1	-0.926	-0.963	22.354	43.746	43.746	0.000	0.000	0.000	0.000
437	A	448	ALA	0	0.020	0.015	20.286	-1.475	-1.475	0.000	0.000	0.000	0.000
438	A	449	ALA	0	0.000	-0.003	20.012	-0.203	-0.203	0.000	0.000	0.000	0.000
439	A	450	ARG	1	0.884	0.950	21.293	-43.666	-43.666	0.000	0.000	0.000	0.000
440	A	451	TRP	0	-0.041	-0.013	22.518	-2.553	-2.553	0.000	0.000	0.000	0.000
441	A	452	SER	0	0.012	0.024	19.466	0.538	0.538	0.000	0.000	0.000	0.000
442	A	453	PRO	0	0.029	0.002	20.616	1.376	1.376	0.000	0.000	0.000	0.000
443	A	454	GLU	-1	-0.874	-0.939	16.558	55.739	55.739	0.000	0.000	0.000	0.000
444	A	455	LEU	0	0.019	0.018	15.361	3.791	3.791	0.000	0.000	0.000	0.000
445	A	456	ALA	0	0.026	0.014	16.722	2.182	2.182	0.000	0.000	0.000	0.000
446	A	457	ALA	0	-0.014	-0.008	17.361	0.570	0.570	0.000	0.000	0.000	0.000
447	A	458	ALA	0	0.006	0.000	12.432	1.821	1.821	0.000	0.000	0.000	0.000
448	A	459	CYS	0	-0.055	-0.023	13.930	2.966	2.966	0.000	0.000	0.000	0.000
449	A	460	GLU	-1	-0.886	-0.937	16.152	55.382	55.382	0.000	0.000	0.000	0.000
450	A	461	LEU	0	-0.038	-0.011	11.694	-1.389	-1.389	0.000	0.000	0.000	0.000
451	A	462	TRP	0	0.004	-0.012	8.550	1.345	1.345	0.000	0.000	0.000	0.000
452	A	463	LYS	1	0.826	0.925	13.106	-54.881	-54.881	0.000	0.000	0.000	0.000
453	A	464	GLU	-1	-0.947	-0.979	15.677	57.049	57.049	0.000	0.000	0.000	0.000
454	A	465	ILE	0	-0.063	-0.012	9.429	0.250	0.250	0.000	0.000	0.000	0.000
455	A	466	LYS	1	0.979	0.983	11.981	-64.313	-64.313	0.000	0.000	0.000	0.000
456	A	467	PHE	0	0.000	0.005	7.064	1.148	1.148	0.000	0.000	0.000	0.000
457	A	468	GLU	-1	-0.983	-0.992	11.727	70.304	70.304	0.000	0.000	0.000	0.000
458	A	469	PHE	0	0.007	-0.007	12.795	-2.606	-2.606	0.000	0.000	0.000	0.000
459	A	470	GLU	-1	-0.962	-0.972	13.963	60.567	60.567	0.000	0.000	0.000	0.000
460	A	471	ALA	0	-0.037	-0.016	11.986	2.870	2.870	0.000	0.000	0.000	0.000
461	A	472	GLN	0	-0.030	-0.018	12.430	-5.408	-5.408	0.000	0.000	0.000	0.000
462	A	473	ASP	-1	-0.838	-0.913	10.871	75.608	75.608	0.000	0.000	0.000	0.000
463	A	474	THR	0	-0.027	-0.011	12.703	0.853	0.853	0.000	0.000	0.000	0.000
464	A	475	ILE	0	-0.033	-0.016	15.490	-4.770	-4.770	0.000	0.000	0.000	0.000
465	B	14	SER	0	-0.043	-0.021	22.694	-0.296	-0.296	0.000	0.000	0.000	0.000
466	B	15	TYR	0	-0.007	-0.011	18.934	-0.654	-0.654	0.000	0.000	0.000	0.000
467	B	16	LEU	0	-0.042	-0.013	21.282	0.432	0.432	0.000	0.000	0.000	0.000
468	B	17	PRO	0	-0.017	-0.015	24.025	-1.285	-1.285	0.000	0.000	0.000	0.000
469	B	18	PRO	0	-0.044	-0.027	27.649	0.234	0.234	0.000	0.000	0.000	0.000
470	B	19	LEU	0	0.031	0.033	27.503	-0.479	-0.479	0.000	0.000	0.000	0.000
471	B	20	SER	0	-0.015	-0.006	31.313	-1.370	-1.370	0.000	0.000	0.000	0.000
472	B	21	ASP	-1	-0.845	-0.942	34.423	32.362	32.362	0.000	0.000	0.000	0.000
473	B	22	ALA	0	-0.043	-0.024	36.381	0.036	0.036	0.000	0.000	0.000	0.000
474	B	23	GLN	0	0.041	0.021	29.784	-0.444	-0.444	0.000	0.000	0.000	0.000
475	B	24	ILE	0	0.019	0.014	31.955	0.932	0.932	0.000	0.000	0.000	0.000
476	B	25	ALA	0	0.023	0.003	33.380	0.390	0.390	0.000	0.000	0.000	0.000
477	B	26	ARG	1	0.861	0.937	31.692	-38.009	-38.009	0.000	0.000	0.000	0.000
478	B	27	GLN	0	0.044	0.032	26.804	1.305	1.305	0.000	0.000	0.000	0.000
479	B	28	ILE	0	0.002	-0.006	30.963	0.435	0.435	0.000	0.000	0.000	0.000
480	B	29	GLN	0	-0.071	-0.048	33.780	-0.610	-0.610	0.000	0.000	0.000	0.000
481	B	30	TYR	0	-0.007	0.014	24.930	-0.440	-0.440	0.000	0.000	0.000	0.000
482	B	31	ALA	0	0.015	-0.003	30.215	0.513	0.513	0.000	0.000	0.000	0.000
483	B	32	ILE	0	-0.006	0.000	31.209	-0.121	-0.121	0.000	0.000	0.000	0.000
484	B	33	ASP	-1	-0.883	-0.943	32.621	35.333	35.333	0.000	0.000	0.000	0.000
485	B	34	GLN	0	-0.094	-0.037	27.457	1.039	1.039	0.000	0.000	0.000	0.000
486	B	35	GLY	0	-0.020	0.005	30.781	0.247	0.247	0.000	0.000	0.000	0.000
487	B	36	TYR	0	-0.056	-0.023	25.571	-0.160	-0.160	0.000	0.000	0.000	0.000
488	B	37	HIS	0	0.008	-0.010	31.953	-1.632	-1.632	0.000	0.000	0.000	0.000
489	B	38	PRO	0	-0.001	0.004	33.819	0.793	0.793	0.000	0.000	0.000	0.000
490	B	39	CYS	0	-0.003	-0.002	34.873	-1.376	-1.376	0.000	0.000	0.000	0.000
491	B	40	VAL	0	0.016	0.024	35.508	0.922	0.922	0.000	0.000	0.000	0.000
492	B	41	GLU	-1	-0.817	-0.887	32.666	37.444	37.444	0.000	0.000	0.000	0.000
493	B	42	PHE	0	-0.003	-0.027	36.213	0.473	0.473	0.000	0.000	0.000	0.000
494	B	43	ASN	0	0.039	0.008	34.406	-0.753	-0.753	0.000	0.000	0.000	0.000
495	B	44	GLU	-1	-0.887	-0.939	36.972	32.145	32.145	0.000	0.000	0.000	0.000
496	B	45	THR	0	-0.070	-0.034	32.177	0.148	0.148	0.000	0.000	0.000	0.000
497	B	46	SER	0	0.010	-0.005	29.242	-0.210	-0.210	0.000	0.000	0.000	0.000
498	B	47	ASN	0	0.010	0.006	27.975	2.161	2.161	0.000	0.000	0.000	0.000
499	B	48	ALA	0	0.047	0.028	24.797	-0.835	-0.835	0.000	0.000	0.000	0.000
500	B	49	GLU	-1	-0.879	-0.935	26.111	44.250	44.250	0.000	0.000	0.000	0.000
501	B	50	ILE	0	-0.084	-0.029	27.833	-1.071	-1.071	0.000	0.000	0.000	0.000
502	B	51	ARG	1	0.876	0.934	25.325	-44.192	-44.192	0.000	0.000	0.000	0.000
503	B	52	TYR	0	-0.013	-0.014	30.743	0.350	0.350	0.000	0.000	0.000	0.000
504	B	53	TRP	0	0.008	0.021	31.041	-0.532	-0.532	0.000	0.000	0.000	0.000
505	B	54	THR	0	-0.002	-0.004	35.561	-0.382	-0.382	0.000	0.000	0.000	0.000
506	B	55	MET	0	0.004	0.007	38.536	0.453	0.453	0.000	0.000	0.000	0.000
507	B	56	TRP	0	-0.060	-0.046	39.587	-0.792	-0.792	0.000	0.000	0.000	0.000
508	B	57	LYS	1	0.779	0.898	41.745	-26.920	-26.920	0.000	0.000	0.000	0.000
509	B	58	LEU	0	0.010	-0.008	41.464	0.054	0.054	0.000	0.000	0.000	0.000
510	B	59	PRO	0	0.022	0.002	37.018	0.023	0.023	0.000	0.000	0.000	0.000
511	B	60	LEU	0	-0.028	-0.007	38.734	-0.783	-0.783	0.000	0.000	0.000	0.000
512	B	61	PHE	0	0.018	0.002	36.746	0.621	0.621	0.000	0.000	0.000	0.000
513	B	62	ASN	0	-0.039	-0.024	39.069	-0.183	-0.183	0.000	0.000	0.000	0.000
514	B	63	CYS	0	-0.008	0.009	39.986	-0.821	-0.821	0.000	0.000	0.000	0.000
515	B	64	THR	0	0.017	0.001	39.176	0.630	0.630	0.000	0.000	0.000	0.000
516	B	65	ASN	0	-0.003	-0.005	40.440	0.764	0.764	0.000	0.000	0.000	0.000
517	B	66	ALA	0	0.090	0.040	37.845	-0.059	-0.059	0.000	0.000	0.000	0.000
518	B	67	GLN	0	-0.069	-0.042	39.569	0.495	0.495	0.000	0.000	0.000	0.000
519	B	68	ASP	-1	-0.867	-0.941	42.360	27.849	27.849	0.000	0.000	0.000	0.000
520	B	69	VAL	0	0.009	0.008	37.068	-0.218	-0.218	0.000	0.000	0.000	0.000
521	B	70	LEU	0	0.027	0.002	37.543	-0.014	-0.014	0.000	0.000	0.000	0.000
522	B	71	ASN	0	-0.015	-0.006	40.634	-0.274	-0.274	0.000	0.000	0.000	0.000
523	B	72	GLU	-1	-0.826	-0.907	41.854	27.514	27.514	0.000	0.000	0.000	0.000
524	B	73	VAL	0	0.002	0.013	37.870	-0.051	-0.051	0.000	0.000	0.000	0.000
525	B	74	GLN	0	-0.010	-0.004	40.820	-0.230	-0.230	0.000	0.000	0.000	0.000
526	B	75	GLN	0	0.017	0.008	43.671	-0.679	-0.679	0.000	0.000	0.000	0.000
527	B	76	CYS	0	-0.008	0.022	41.500	-0.170	-0.170	0.000	0.000	0.000	0.000
528	B	77	ARG	1	0.945	0.955	39.892	-30.469	-30.469	0.000	0.000	0.000	0.000
529	B	78	SER	0	-0.063	-0.037	43.048	-0.247	-0.247	0.000	0.000	0.000	0.000
530	B	79	GLU	-1	-0.956	-0.975	46.445	25.540	25.540	0.000	0.000	0.000	0.000
531	B	80	TYR	0	-0.033	-0.012	42.764	-0.319	-0.319	0.000	0.000	0.000	0.000
532	B	81	PRO	0	0.022	0.026	42.379	0.781	0.781	0.000	0.000	0.000	0.000
533	B	82	ASN	0	-0.040	-0.029	41.895	0.572	0.572	0.000	0.000	0.000	0.000
534	B	83	CYS	0	-0.008	0.008	39.035	0.107	0.107	0.000	0.000	0.000	0.000
535	B	84	PHE	0	0.004	-0.001	32.553	0.209	0.209	0.000	0.000	0.000	0.000
536	B	85	ILE	0	0.007	0.006	35.482	-0.331	-0.331	0.000	0.000	0.000	0.000
537	B	86	ARG	1	0.827	0.898	28.762	-40.102	-40.102	0.000	0.000	0.000	0.000
538	B	87	VAL	0	0.010	0.014	32.374	-1.154	-1.154	0.000	0.000	0.000	0.000
539	B	88	VAL	0	0.003	0.004	30.260	1.436	1.436	0.000	0.000	0.000	0.000
540	B	89	ALA	0	0.016	0.007	29.891	-1.448	-1.448	0.000	0.000	0.000	0.000
541	B	90	PHE	0	-0.035	-0.015	29.042	1.431	1.431	0.000	0.000	0.000	0.000
542	B	91	ASP	-1	-0.774	-0.886	27.269	41.372	41.372	0.000	0.000	0.000	0.000
543	B	92	ASN	0	-0.005	-0.025	29.312	0.608	0.608	0.000	0.000	0.000	0.000
544	B	93	ILE	0	-0.036	-0.006	28.884	-0.570	-0.570	0.000	0.000	0.000	0.000
545	B	94	LYS	1	0.966	0.979	21.984	-50.564	-50.564	0.000	0.000	0.000	0.000
546	B	95	GLN	0	-0.030	-0.003	26.632	0.790	0.790	0.000	0.000	0.000	0.000
547	B	96	CYS	0	0.027	0.018	24.443	1.086	1.086	0.000	0.000	0.000	0.000
548	B	97	GLN	0	0.011	0.005	26.377	-0.429	-0.429	0.000	0.000	0.000	0.000
549	B	98	VAL	0	0.005	-0.008	24.189	1.904	1.904	0.000	0.000	0.000	0.000
550	B	99	MET	0	-0.011	-0.001	24.771	0.977	0.977	0.000	0.000	0.000	0.000
551	B	100	SER	0	0.027	0.010	26.428	-1.778	-1.778	0.000	0.000	0.000	0.000
552	B	101	PHE	0	0.009	0.013	26.253	1.382	1.382	0.000	0.000	0.000	0.000
553	B	102	ILE	0	-0.023	-0.021	28.330	-1.482	-1.482	0.000	0.000	0.000	0.000
554	B	103	VAL	0	-0.023	-0.011	30.718	0.287	0.287	0.000	0.000	0.000	0.000
555	B	104	TYR	0	-0.087	-0.056	33.685	-0.902	-0.902	0.000	0.000	0.000	0.000
556	B	105	LYS	1	0.963	0.980	29.191	-38.953	-38.953	0.000	0.000	0.000	0.000
557	B	106	PRO	0	-0.004	0.024	35.333	-0.225	-0.225	0.000	0.000	0.000	0.000
559	E	12	GLY	0	0.007	-0.012	20.022	-0.648	-0.648	0.000	0.000	0.000	0.000
560	E	13	TYR	0	-0.037	-0.017	11.765	2.094	2.094	0.000	0.000	0.000	0.000
561	E	14	GLN	0	-0.043	-0.025	15.559	-3.549	-3.549	0.000	0.000	0.000	0.000
562	E	15	ALA	0	0.020	0.023	12.437	2.555	2.555	0.000	0.000	0.000	0.000
563	E	16	GLY	0	0.040	0.020	11.313	-4.296	-4.296	0.000	0.000	0.000	0.000
564	E	17	VAL	0	-0.002	-0.005	9.218	2.674	2.674	0.000	0.000	0.000	0.000
565	E	18	LYS	1	0.895	0.956	11.451	-81.956	-81.956	0.000	0.000	0.000	0.000
566	E	19	ASP	-1	-0.886	-0.940	12.358	72.086	72.086	0.000	0.000	0.000	0.000
567	E	20	TYR	0	-0.019	-0.031	6.739	-3.418	-3.418	0.000	0.000	0.000	0.000
568	E	21	ARG	1	0.933	0.950	13.404	-59.293	-59.293	0.000	0.000	0.000	0.000
569	E	22	LEU	0	-0.059	-0.027	16.247	-3.588	-3.588	0.000	0.000	0.000	0.000
570	E	23	THR	0	-0.028	-0.006	13.921	-3.213	-3.213	0.000	0.000	0.000	0.000
571	E	24	TYR	0	-0.007	-0.010	11.203	-0.770	-0.770	0.000	0.000	0.000	0.000
572	E	25	TYR	0	-0.007	0.005	16.162	-0.592	-0.592	0.000	0.000	0.000	0.000
573	E	26	THR	0	-0.008	-0.017	19.501	-0.616	-0.616	0.000	0.000	0.000	0.000
574	E	27	PRO	0	0.010	0.011	22.376	-0.612	-0.612	0.000	0.000	0.000	0.000
575	E	28	ASP	-1	-0.930	-0.952	25.595	43.028	43.028	0.000	0.000	0.000	0.000
576	E	29	TYR	0	-0.076	-0.056	23.898	-1.227	-1.227	0.000	0.000	0.000	0.000
577	E	30	THR	0	-0.028	-0.019	26.226	-0.854	-0.854	0.000	0.000	0.000	0.000
578	E	31	PRO	0	-0.028	-0.017	25.305	0.220	0.220	0.000	0.000	0.000	0.000
579	E	32	LYS	1	0.939	0.978	24.396	-49.404	-49.404	0.000	0.000	0.000	0.000
580	E	33	ASP	-1	-0.888	-0.948	26.967	39.797	39.797	0.000	0.000	0.000	0.000
581	E	34	THR	0	-0.065	-0.053	25.302	-0.473	-0.473	0.000	0.000	0.000	0.000
582	E	35	ASP	-1	-0.798	-0.869	22.652	52.007	52.007	0.000	0.000	0.000	0.000
583	E	36	ILE	0	-0.013	-0.008	18.328	-2.156	-2.156	0.000	0.000	0.000	0.000
584	E	37	LEU	0	-0.045	-0.008	20.238	1.773	1.773	0.000	0.000	0.000	0.000
585	E	38	ALA	0	0.028	0.020	17.342	-0.329	-0.329	0.000	0.000	0.000	0.000
586	E	39	ALA	0	0.015	0.022	19.273	-0.380	-0.380	0.000	0.000	0.000	0.000
587	E	40	PHE	0	0.018	-0.003	13.352	0.270	0.270	0.000	0.000	0.000	0.000
588	E	41	ARG	1	0.844	0.919	18.362	-51.685	-51.685	0.000	0.000	0.000	0.000
589	E	42	VAL	0	0.009	-0.007	16.163	3.292	3.292	0.000	0.000	0.000	0.000
590	E	43	THR	0	-0.003	-0.002	17.460	-3.448	-3.448	0.000	0.000	0.000	0.000
591	E	44	PRO	0	0.010	0.018	16.921	4.299	4.299	0.000	0.000	0.000	0.000
592	E	45	GLN	0	0.001	-0.001	13.777	-7.285	-7.285	0.000	0.000	0.000	0.000
593	E	46	PRO	0	0.011	-0.014	17.963	-1.251	-1.251	0.000	0.000	0.000	0.000
594	E	47	GLY	0	-0.025	-0.003	20.863	1.224	1.224	0.000	0.000	0.000	0.000
595	E	48	VAL	0	-0.022	0.006	16.377	0.736	0.736	0.000	0.000	0.000	0.000
596	E	49	PRO	0	-0.023	-0.011	18.536	-1.627	-1.627	0.000	0.000	0.000	0.000
597	E	50	PHE	0	0.074	0.021	19.377	2.934	2.934	0.000	0.000	0.000	0.000
598	E	51	GLU	-1	-0.902	-0.959	19.500	54.263	54.263	0.000	0.000	0.000	0.000
599	E	52	GLU	-1	-0.769	-0.891	13.982	78.452	78.452	0.000	0.000	0.000	0.000
600	E	53	ALA	0	-0.027	-0.005	15.049	5.072	5.072	0.000	0.000	0.000	0.000
601	E	54	ALA	0	0.020	-0.007	14.564	4.302	4.302	0.000	0.000	0.000	0.000
602	E	55	ALA	0	-0.007	0.006	15.540	1.587	1.587	0.000	0.000	0.000	0.000
603	E	56	ALA	0	0.010	0.012	10.905	3.554	3.554	0.000	0.000	0.000	0.000
604	E	57	VAL	0	0.000	0.008	10.534	7.661	7.661	0.000	0.000	0.000	0.000
605	E	58	ALA	0	0.024	0.033	11.499	2.993	2.993	0.000	0.000	0.000	0.000
606	E	59	ALA	0	0.003	0.016	10.112	1.226	1.226	0.000	0.000	0.000	0.000
608	E	61	SER	0	-0.048	-0.022	7.190	4.886	4.886	0.000	0.000	0.000	0.000
609	E	62	SER	0	-0.030	-0.033	9.863	-6.661	-6.661	0.000	0.000	0.000	0.000
610	E	63	THR	0	0.006	-0.008	9.989	3.096	3.096	0.000	0.000	0.000	0.000
611	E	64	GLY	0	-0.009	0.006	8.183	2.588	2.588	0.000	0.000	0.000	0.000
614	E	67	THR	0	0.000	-0.001	5.283	-20.725	-20.725	0.000	0.000	0.000	0.000
615	E	68	THR	0	-0.055	-0.019	6.697	5.601	5.601	0.000	0.000	0.000	0.000
616	E	69	VAL	0	0.037	0.018	5.854	1.505	1.505	0.000	0.000	0.000	0.000
617	E	70	TRP	0	-0.028	-0.028	9.020	-7.897	-7.897	0.000	0.000	0.000	0.000
618	E	71	THR	0	-0.069	-0.090	9.587	-4.652	-4.652	0.000	0.000	0.000	0.000
619	E	72	ASP	-1	-0.798	-0.909	10.453	87.025	87.025	0.000	0.000	0.000	0.000
620	E	73	LEU	0	-0.053	-0.031	12.760	-4.042	-4.042	0.000	0.000	0.000	0.000
621	E	74	LEU	0	-0.106	-0.041	14.870	-3.699	-3.699	0.000	0.000	0.000	0.000
622	E	75	THR	0	-0.083	-0.043	14.529	-3.740	-3.740	0.000	0.000	0.000	0.000
623	E	76	ASP	-1	-0.900	-0.946	17.388	51.757	51.757	0.000	0.000	0.000	0.000
624	E	77	LEU	0	0.031	0.004	11.911	-0.199	-0.199	0.000	0.000	0.000	0.000
625	E	78	ASP	-1	-0.879	-0.943	15.913	59.145	59.145	0.000	0.000	0.000	0.000
626	E	79	ARG	1	0.872	0.944	18.731	-53.399	-53.399	0.000	0.000	0.000	0.000
627	E	80	TYR	0	-0.053	-0.032	15.311	-1.225	-1.225	0.000	0.000	0.000	0.000
628	E	81	LYS	1	0.836	0.929	14.564	-59.194	-59.194	0.000	0.000	0.000	0.000
629	E	82	GLY	0	0.052	0.026	14.752	-3.798	-3.798	0.000	0.000	0.000	0.000
630	E	83	CYS	0	-0.107	-0.054	16.195	1.310	1.310	0.000	0.000	0.000	0.000
631	E	84	CYS	0	-0.006	0.008	18.232	-1.693	-1.693	0.000	0.000	0.000	0.000
632	E	85	TYR	0	0.025	-0.007	19.702	-0.459	-0.459	0.000	0.000	0.000	0.000
633	E	86	ASP	-1	-0.888	-0.948	22.864	42.919	42.919	0.000	0.000	0.000	0.000
634	E	87	ILE	0	-0.027	-0.009	21.412	2.764	2.764	0.000	0.000	0.000	0.000
635	E	88	GLU	-1	-0.769	-0.863	24.196	41.532	41.532	0.000	0.000	0.000	0.000
636	E	89	PRO	0	-0.026	-0.026	25.916	0.953	0.953	0.000	0.000	0.000	0.000
637	E	90	LEU	0	0.007	0.003	24.748	-1.438	-1.438	0.000	0.000	0.000	0.000
638	E	91	PRO	0	-0.036	-0.013	28.297	0.105	0.105	0.000	0.000	0.000	0.000
639	E	92	GLY	0	-0.034	-0.026	31.421	-0.311	-0.311	0.000	0.000	0.000	0.000
640	E	93	GLU	-1	-0.926	-0.951	26.024	43.371	43.371	0.000	0.000	0.000	0.000
641	E	94	ASP	-1	-0.942	-0.969	25.107	46.066	46.066	0.000	0.000	0.000	0.000
642	E	95	ASN	0	-0.025	-0.017	21.705	0.812	0.812	0.000	0.000	0.000	0.000
643	E	96	GLN	0	0.063	0.025	21.789	1.760	1.760	0.000	0.000	0.000	0.000
644	E	97	PHE	0	-0.017	-0.009	18.694	-1.974	-1.974	0.000	0.000	0.000	0.000
645	E	98	ILE	0	-0.005	0.011	21.655	2.513	2.513	0.000	0.000	0.000	0.000
646	E	99	ALA	0	-0.008	-0.002	18.413	-1.106	-1.106	0.000	0.000	0.000	0.000
647	E	100	TYR	0	-0.026	-0.024	20.013	1.266	1.266	0.000	0.000	0.000	0.000
648	E	101	ILE	0	-0.014	-0.013	15.328	0.373	0.373	0.000	0.000	0.000	0.000
649	E	102	ALA	0	-0.004	0.005	19.250	-1.572	-1.572	0.000	0.000	0.000	0.000
650	E	103	TYR	0	-0.023	-0.034	13.399	1.089	1.089	0.000	0.000	0.000	0.000
651	E	104	PRO	0	0.044	0.030	17.317	-3.098	-3.098	0.000	0.000	0.000	0.000
652	E	105	LEU	0	0.021	-0.005	18.838	1.910	1.910	0.000	0.000	0.000	0.000
653	E	106	ASP	-1	-0.920	-0.971	19.056	53.166	53.166	0.000	0.000	0.000	0.000
654	E	107	LEU	0	-0.071	-0.030	13.825	1.903	1.903	0.000	0.000	0.000	0.000
655	E	108	PHE	0	-0.022	-0.003	14.812	4.316	4.316	0.000	0.000	0.000	0.000
656	E	109	GLU	-1	-0.794	-0.879	16.300	57.933	57.933	0.000	0.000	0.000	0.000
657	E	110	GLU	-1	-0.796	-0.888	17.982	51.358	51.358	0.000	0.000	0.000	0.000
658	E	111	GLY	0	0.015	0.010	21.324	0.319	0.319	0.000	0.000	0.000	0.000
659	E	112	SER	0	-0.028	-0.007	16.483	-0.008	-0.008	0.000	0.000	0.000	0.000
660	E	113	VAL	0	0.047	0.016	17.650	2.115	2.115	0.000	0.000	0.000	0.000
661	E	114	THR	0	0.001	0.000	13.698	1.608	1.608	0.000	0.000	0.000	0.000
662	E	115	ASN	0	-0.002	0.006	12.372	1.212	1.212	0.000	0.000	0.000	0.000
663	E	116	MET	0	-0.011	0.006	12.874	3.296	3.296	0.000	0.000	0.000	0.000
664	E	117	LEU	0	-0.003	-0.016	13.061	2.706	2.706	0.000	0.000	0.000	0.000
665	E	118	THR	0	-0.001	0.015	8.078	3.013	3.013	0.000	0.000	0.000	0.000
666	E	119	SER	0	0.017	0.014	8.306	11.387	11.387	0.000	0.000	0.000	0.000
667	E	120	ILE	0	-0.038	-0.002	9.573	4.895	4.895	0.000	0.000	0.000	0.000
668	E	121	VAL	0	-0.014	-0.029	10.326	0.045	0.045	0.000	0.000	0.000	0.000
669	E	122	GLY	0	0.016	0.029	6.559	3.299	3.299	0.000	0.000	0.000	0.000
672	E	125	PHE	0	0.016	0.011	8.169	-3.528	-3.528	0.000	0.000	0.000	0.000
673	E	126	GLY	0	0.030	0.014	6.075	-6.934	-6.934	0.000	0.000	0.000	0.000
674	E	127	PHE	0	0.004	0.004	6.682	4.177	4.177	0.000	0.000	0.000	0.000
675	E	128	LYS	1	0.844	0.922	8.418	-120.251	-120.251	0.000	0.000	0.000	0.000
676	E	129	ALA	0	-0.008	0.007	10.251	-7.079	-7.079	0.000	0.000	0.000	0.000
677	E	130	LEU	0	-0.047	-0.024	11.723	-6.789	-6.789	0.000	0.000	0.000	0.000
678	E	131	LYS	1	0.965	0.986	12.970	-55.405	-55.405	0.000	0.000	0.000	0.000
679	E	132	ALA	0	-0.020	-0.019	14.480	0.718	0.718	0.000	0.000	0.000	0.000
680	E	133	LEU	0	-0.008	0.002	12.056	-0.194	-0.194	0.000	0.000	0.000	0.000
681	E	134	ARG	1	0.843	0.921	15.217	-51.057	-51.057	0.000	0.000	0.000	0.000
682	E	135	LEU	0	-0.032	0.009	15.321	-1.306	-1.306	0.000	0.000	0.000	0.000
683	E	136	GLU	-1	-0.786	-0.895	17.374	48.537	48.537	0.000	0.000	0.000	0.000
684	E	137	ASP	-1	-0.809	-0.926	20.630	44.463	44.463	0.000	0.000	0.000	0.000
685	E	138	LEU	0	0.004	-0.004	17.123	2.523	2.523	0.000	0.000	0.000	0.000
686	E	139	ARG	1	0.859	0.953	21.304	-47.334	-47.334	0.000	0.000	0.000	0.000
687	E	140	ILE	0	0.021	-0.011	21.202	1.602	1.602	0.000	0.000	0.000	0.000
688	E	141	PRO	0	0.011	0.031	23.161	-2.218	-2.218	0.000	0.000	0.000	0.000
689	E	142	VAL	0	0.099	0.029	26.230	0.456	0.456	0.000	0.000	0.000	0.000
690	E	143	ALA	0	-0.021	-0.023	26.924	-0.291	-0.291	0.000	0.000	0.000	0.000
691	E	144	TYR	0	0.022	-0.007	18.808	0.067	0.067	0.000	0.000	0.000	0.000
692	E	145	LEU	0	0.059	0.039	24.741	0.247	0.247	0.000	0.000	0.000	0.000
693	E	146	LYS	1	0.900	0.957	26.768	-36.559	-36.559	0.000	0.000	0.000	0.000
694	E	147	THR	0	-0.088	-0.045	24.102	-0.178	-0.178	0.000	0.000	0.000	0.000
695	E	148	PHE	0	-0.007	-0.004	20.728	0.781	0.781	0.000	0.000	0.000	0.000
696	E	149	GLN	0	-0.067	-0.038	26.541	-1.584	-1.584	0.000	0.000	0.000	0.000
697	E	150	GLY	0	0.041	0.024	27.835	-1.283	-1.283	0.000	0.000	0.000	0.000
698	E	151	PRO	0	-0.039	-0.020	29.073	0.096	0.096	0.000	0.000	0.000	0.000
699	E	152	PRO	0	-0.026	0.004	30.658	-0.612	-0.612	0.000	0.000	0.000	0.000
700	E	153	HIS	0	-0.057	-0.030	33.395	-1.590	-1.590	0.000	0.000	0.000	0.000
701	E	154	GLY	0	0.041	0.016	35.209	-0.250	-0.250	0.000	0.000	0.000	0.000
702	E	155	ILE	0	-0.038	-0.023	36.012	-0.838	-0.838	0.000	0.000	0.000	0.000
703	E	156	GLN	0	-0.027	-0.012	38.668	-0.293	-0.293	0.000	0.000	0.000	0.000
704	E	157	VAL	0	0.064	0.033	39.463	-0.637	-0.637	0.000	0.000	0.000	0.000
705	E	158	GLU	-1	-0.784	-0.869	37.950	30.657	30.657	0.000	0.000	0.000	0.000
706	E	159	ARG	1	0.809	0.892	40.914	-28.234	-28.234	0.000	0.000	0.000	0.000
707	E	160	ASP	-1	-0.829	-0.907	44.019	25.850	25.850	0.000	0.000	0.000	0.000
708	E	161	LYS	1	0.809	0.912	40.113	-29.762	-29.762	0.000	0.000	0.000	0.000
709	E	162	LEU	0	-0.018	-0.003	41.432	-0.535	-0.535	0.000	0.000	0.000	0.000
710	E	163	ASN	0	-0.046	-0.010	45.655	-0.435	-0.435	0.000	0.000	0.000	0.000
711	E	164	LYS	1	0.796	0.906	45.205	-26.086	-26.086	0.000	0.000	0.000	0.000
712	E	165	TYR	0	-0.018	-0.026	46.467	0.483	0.483	0.000	0.000	0.000	0.000
713	E	166	GLY	0	-0.007	0.000	48.027	-0.397	-0.397	0.000	0.000	0.000	0.000
714	E	167	ARG	1	0.807	0.893	46.482	-25.541	-25.541	0.000	0.000	0.000	0.000
715	E	168	PRO	0	0.007	0.023	42.528	0.259	0.259	0.000	0.000	0.000	0.000
716	E	169	LEU	0	-0.042	-0.013	40.731	-0.646	-0.646	0.000	0.000	0.000	0.000
717	E	170	LEU	0	-0.002	0.001	42.191	0.332	0.332	0.000	0.000	0.000	0.000
718	E	171	GLY	0	0.035	0.012	40.342	-0.137	-0.137	0.000	0.000	0.000	0.000
719	E	172	CYS	0	-0.087	-0.032	40.683	-0.371	-0.371	0.000	0.000	0.000	0.000
720	E	173	THR	0	0.082	0.005	34.919	-0.099	-0.099	0.000	0.000	0.000	0.000
721	E	174	ILE	0	-0.025	-0.012	38.090	-0.652	-0.652	0.000	0.000	0.000	0.000
722	E	175	LYS	1	0.826	0.908	34.760	-31.928	-31.928	0.000	0.000	0.000	0.000
723	E	176	PRO	0	0.062	0.058	38.360	-0.844	-0.844	0.000	0.000	0.000	0.000
724	E	177	LYS	1	0.753	0.885	30.683	-36.160	-36.160	0.000	0.000	0.000	0.000
725	E	178	LEU	0	-0.012	-0.007	30.845	0.002	0.002	0.000	0.000	0.000	0.000
726	E	179	GLY	0	0.070	0.028	35.463	-0.535	-0.535	0.000	0.000	0.000	0.000
727	E	180	LEU	0	-0.026	0.009	38.498	-0.924	-0.924	0.000	0.000	0.000	0.000
728	E	181	SER	0	0.065	0.036	40.018	0.501	0.501	0.000	0.000	0.000	0.000
729	E	182	ALA	0	0.070	0.038	41.393	-0.078	-0.078	0.000	0.000	0.000	0.000
730	E	183	LYS	1	0.966	0.985	42.390	-23.820	-23.820	0.000	0.000	0.000	0.000
731	E	184	ASN	0	-0.025	-0.028	44.696	-0.762	-0.762	0.000	0.000	0.000	0.000
732	E	185	TYR	0	0.058	0.031	36.682	-0.256	-0.256	0.000	0.000	0.000	0.000
733	E	186	GLY	0	0.065	0.038	42.930	-0.017	-0.017	0.000	0.000	0.000	0.000
734	E	187	ARG	1	0.874	0.941	45.188	-23.382	-23.382	0.000	0.000	0.000	0.000
735	E	188	ALA	0	-0.010	-0.012	44.031	-0.416	-0.416	0.000	0.000	0.000	0.000
736	E	189	VAL	0	0.063	0.035	42.198	-0.152	-0.152	0.000	0.000	0.000	0.000
737	E	190	TYR	0	-0.096	-0.065	45.006	-0.311	-0.311	0.000	0.000	0.000	0.000
738	E	191	GLU	-1	-0.882	-0.948	48.649	22.436	22.436	0.000	0.000	0.000	0.000
739	E	193	LEU	0	0.035	0.027	44.056	-0.267	-0.267	0.000	0.000	0.000	0.000
740	E	194	ARG	1	0.875	0.924	47.830	-22.381	-22.381	0.000	0.000	0.000	0.000
741	E	195	GLY	0	-0.019	0.002	50.579	-0.428	-0.428	0.000	0.000	0.000	0.000
742	E	196	GLY	0	0.034	0.026	50.419	-0.193	-0.193	0.000	0.000	0.000	0.000
743	E	197	LEU	0	-0.024	0.004	43.816	0.136	0.136	0.000	0.000	0.000	0.000
744	E	198	ASP	-1	-0.752	-0.832	43.805	25.719	25.719	0.000	0.000	0.000	0.000
745	E	199	PHE	0	0.025	0.000	40.035	0.040	0.040	0.000	0.000	0.000	0.000
746	E	200	THR	0	-0.026	-0.052	40.775	-0.506	-0.506	0.000	0.000	0.000	0.000
747	E	201	KCX	-1	-0.496	-0.800	32.494	35.852	35.852	0.000	0.000	0.000	0.000
748	E	202	ASP	-1	-0.704	-0.826	33.851	31.797	31.797	0.000	0.000	0.000	0.000
749	E	203	ASP	0	0.197	0.047	33.159	0.356	0.356	0.000	0.000	0.000	0.000
750	E	204	GLU	0	0.136	-0.032	27.573	-0.008	-0.008	0.000	0.000	0.000	0.000
751	E	476	merge:E:AS	-1	-1.999	-1.428	27.375	35.759	35.759	0.000	0.000	0.000	0.000
752	E	205	ASN	0	0.002	-0.001	27.881	0.095	0.095	0.000	0.000	0.000	0.000
753	E	206	ILE	0	-0.053	-0.001	28.966	-0.184	-0.184	0.000	0.000	0.000	0.000
754	E	207	ASN	0	-0.034	-0.011	27.057	1.782	1.782	0.000	0.000	0.000	0.000
755	E	208	SER	0	0.041	0.008	30.732	-1.793	-1.793	0.000	0.000	0.000	0.000
756	E	209	GLN	0	0.016	-0.003	30.543	0.406	0.406	0.000	0.000	0.000	0.000
757	E	210	PRO	0	-0.011	-0.004	32.996	-1.035	-1.035	0.000	0.000	0.000	0.000
758	E	211	PHE	0	-0.039	-0.001	33.715	-1.015	-1.015	0.000	0.000	0.000	0.000
759	E	212	GLN	0	-0.047	-0.037	37.035	-0.522	-0.522	0.000	0.000	0.000	0.000
760	E	213	ARG	1	0.830	0.932	33.117	-32.282	-32.282	0.000	0.000	0.000	0.000
761	E	214	TRP	0	0.062	0.016	33.949	-0.916	-0.916	0.000	0.000	0.000	0.000
762	E	215	ARG	1	0.961	0.997	36.193	-28.896	-28.896	0.000	0.000	0.000	0.000
763	E	216	ASP	-1	-0.895	-0.953	39.007	27.545	27.545	0.000	0.000	0.000	0.000
764	E	217	ARG	1	0.751	0.855	33.610	-33.569	-33.569	0.000	0.000	0.000	0.000
765	E	218	PHE	0	0.016	-0.011	34.339	-0.488	-0.488	0.000	0.000	0.000	0.000
766	E	219	LEU	0	0.017	0.015	40.262	-0.436	-0.436	0.000	0.000	0.000	0.000
767	E	220	PHE	0	-0.014	-0.014	43.878	-0.601	-0.601	0.000	0.000	0.000	0.000
768	E	221	VAL	0	-0.006	-0.002	40.497	-0.530	-0.530	0.000	0.000	0.000	0.000
769	E	222	ALA	0	0.046	0.022	43.595	-0.292	-0.292	0.000	0.000	0.000	0.000
770	E	223	ASP	-1	-0.927	-0.957	45.136	24.073	24.073	0.000	0.000	0.000	0.000
771	E	224	ALA	0	-0.102	-0.055	46.061	-0.532	-0.532	0.000	0.000	0.000	0.000
772	E	225	ILE	0	0.030	0.003	42.645	-0.386	-0.386	0.000	0.000	0.000	0.000
773	E	226	HIS	0	0.051	0.034	47.242	-0.560	-0.560	0.000	0.000	0.000	0.000
774	E	227	LYS	1	0.857	0.944	50.257	-22.222	-22.222	0.000	0.000	0.000	0.000
775	E	228	ALA	0	0.018	-0.007	49.301	-0.410	-0.410	0.000	0.000	0.000	0.000
776	E	229	GLN	0	-0.006	0.009	48.665	0.234	0.234	0.000	0.000	0.000	0.000
777	E	230	ALA	0	-0.013	-0.003	51.526	-0.333	-0.333	0.000	0.000	0.000	0.000
778	E	231	GLU	-1	-0.905	-0.938	54.799	21.290	21.290	0.000	0.000	0.000	0.000
779	E	232	THR	0	-0.048	-0.034	52.493	-0.171	-0.171	0.000	0.000	0.000	0.000
780	E	233	GLY	0	-0.019	0.007	54.859	-0.199	-0.199	0.000	0.000	0.000	0.000
781	E	234	GLU	-1	-0.828	-0.908	50.569	23.579	23.579	0.000	0.000	0.000	0.000
782	E	235	ILE	0	0.013	0.006	46.054	0.099	0.099	0.000	0.000	0.000	0.000
783	E	236	LYS	1	0.828	0.930	46.094	-24.280	-24.280	0.000	0.000	0.000	0.000
784	E	237	GLY	0	0.022	0.005	42.192	0.125	0.125	0.000	0.000	0.000	0.000
785	E	238	HIS	0	-0.006	0.000	37.847	-0.804	-0.804	0.000	0.000	0.000	0.000
786	E	239	TYR	0	-0.032	-0.031	34.727	-0.095	-0.095	0.000	0.000	0.000	0.000
787	E	240	LEU	0	-0.004	0.003	35.584	0.260	0.260	0.000	0.000	0.000	0.000
788	E	241	ASN	0	-0.011	-0.019	28.934	1.234	1.234	0.000	0.000	0.000	0.000
789	E	242	VAL	0	-0.024	-0.011	29.048	-0.398	-0.398	0.000	0.000	0.000	0.000
790	E	243	THR	0	-0.006	0.002	24.574	1.202	1.202	0.000	0.000	0.000	0.000
791	E	244	ALA	0	-0.003	0.004	25.449	-1.155	-1.155	0.000	0.000	0.000	0.000
792	E	245	PRO	0	0.001	0.005	23.363	1.862	1.862	0.000	0.000	0.000	0.000
793	E	246	THR	0	0.008	-0.002	22.339	1.694	1.694	0.000	0.000	0.000	0.000
794	E	248	GLU	-1	-0.845	-0.929	25.103	43.235	43.235	0.000	0.000	0.000	0.000
795	E	249	GLU	-1	-0.893	-0.943	27.689	34.837	34.837	0.000	0.000	0.000	0.000
796	E	250	MET	0	0.002	0.011	25.813	-0.819	-0.819	0.000	0.000	0.000	0.000
797	E	251	LEU	0	0.027	0.003	28.556	-1.194	-1.194	0.000	0.000	0.000	0.000
798	E	252	LYS	1	0.915	0.978	30.877	-36.060	-36.060	0.000	0.000	0.000	0.000
799	E	253	ARG	1	0.721	0.831	29.797	-38.523	-38.523	0.000	0.000	0.000	0.000
800	E	254	ALA	0	0.036	0.016	32.095	-0.941	-0.941	0.000	0.000	0.000	0.000
801	E	255	GLU	-1	-0.846	-0.927	34.021	31.726	31.726	0.000	0.000	0.000	0.000
802	E	256	PHE	0	-0.062	-0.020	36.619	-0.996	-0.996	0.000	0.000	0.000	0.000
803	E	257	ALA	0	0.009	-0.001	36.978	-0.813	-0.813	0.000	0.000	0.000	0.000
804	E	258	LYS	1	0.899	0.949	38.366	-30.077	-30.077	0.000	0.000	0.000	0.000
805	E	259	GLU	-1	-0.978	-0.985	40.055	27.213	27.213	0.000	0.000	0.000	0.000
806	E	260	LEU	0	-0.094	-0.044	41.368	-0.762	-0.762	0.000	0.000	0.000	0.000
807	E	261	GLU	-1	-0.984	-0.987	43.457	24.833	24.833	0.000	0.000	0.000	0.000
808	E	262	MET	0	-0.064	-0.021	40.059	-0.218	-0.218	0.000	0.000	0.000	0.000
809	E	263	PRO	0	0.013	0.008	40.791	0.507	0.507	0.000	0.000	0.000	0.000
810	E	264	ILE	0	-0.063	-0.043	36.141	0.462	0.462	0.000	0.000	0.000	0.000
811	E	265	ILE	0	0.005	0.010	32.000	-0.249	-0.249	0.000	0.000	0.000	0.000
812	E	266	MET	0	-0.031	-0.005	30.169	-0.198	-0.198	0.000	0.000	0.000	0.000
813	E	267	HIS	0	-0.016	-0.025	23.675	0.433	0.433	0.000	0.000	0.000	0.000
814	E	268	ASP	-1	-0.768	-0.897	24.130	41.676	41.676	0.000	0.000	0.000	0.000
815	E	269	PHE	0	-0.024	-0.025	21.279	1.800	1.800	0.000	0.000	0.000	0.000
816	E	270	LEU	0	-0.034	-0.006	17.796	2.217	2.217	0.000	0.000	0.000	0.000
817	E	271	THR	0	-0.023	-0.012	17.915	2.504	2.504	0.000	0.000	0.000	0.000
818	E	272	ALA	0	0.023	0.024	19.143	1.143	1.143	0.000	0.000	0.000	0.000
819	E	273	GLY	0	-0.001	0.006	17.665	2.256	2.256	0.000	0.000	0.000	0.000
820	E	274	PHE	0	0.061	-0.001	16.949	-3.130	-3.130	0.000	0.000	0.000	0.000
821	E	275	THR	0	0.001	0.030	17.521	-1.224	-1.224	0.000	0.000	0.000	0.000
822	E	276	ALA	0	0.052	0.010	19.711	-2.208	-2.208	0.000	0.000	0.000	0.000
823	E	277	ASN	0	0.008	0.001	21.825	-2.969	-2.969	0.000	0.000	0.000	0.000
824	E	278	THR	0	0.005	0.007	21.639	-2.111	-2.111	0.000	0.000	0.000	0.000
825	E	279	THR	0	-0.020	-0.002	24.080	-0.595	-0.595	0.000	0.000	0.000	0.000
826	E	280	LEU	0	0.021	0.011	25.902	-1.706	-1.706	0.000	0.000	0.000	0.000
827	E	281	SER	0	0.007	0.000	27.186	-2.324	-2.324	0.000	0.000	0.000	0.000
828	E	282	LYS	1	0.949	0.977	26.319	-43.436	-43.436	0.000	0.000	0.000	0.000
829	E	283	TRP	0	0.026	0.004	29.977	-0.990	-0.990	0.000	0.000	0.000	0.000
830	E	284	CYS	0	-0.035	-0.009	31.737	-1.387	-1.387	0.000	0.000	0.000	0.000
831	E	285	ARG	1	0.820	0.905	32.987	-35.868	-35.868	0.000	0.000	0.000	0.000
832	E	286	ASP	-1	-0.961	-0.971	33.229	34.287	34.287	0.000	0.000	0.000	0.000
833	E	287	ASN	0	-0.089	-0.048	35.284	-1.838	-1.838	0.000	0.000	0.000	0.000
834	E	288	GLY	0	-0.028	0.001	37.748	-0.904	-0.904	0.000	0.000	0.000	0.000
835	E	289	MET	0	-0.052	-0.006	35.462	-0.745	-0.745	0.000	0.000	0.000	0.000
836	E	290	LEU	0	-0.024	-0.012	35.746	0.648	0.648	0.000	0.000	0.000	0.000
837	E	291	LEU	0	0.025	0.000	28.585	0.051	0.051	0.000	0.000	0.000	0.000
838	E	292	HIS	0	0.008	-0.007	31.710	-0.080	-0.080	0.000	0.000	0.000	0.000
839	E	293	ILE	0	0.010	0.010	25.997	0.641	0.641	0.000	0.000	0.000	0.000
840	E	294	HIS	0	0.576	0.464	27.208	0.628	0.628	0.000	0.000	0.000	0.000
841	E	295	ARG	1	0.771	0.861	24.256	-39.563	-39.563	0.000	0.000	0.000	0.000
842	E	296	ALA	0	0.044	0.014	23.476	1.351	1.351	0.000	0.000	0.000	0.000
843	E	297	MET	0	-0.021	-0.018	16.150	1.793	1.793	0.000	0.000	0.000	0.000
844	E	298	HIS	1	0.835	0.888	19.508	-43.648	-43.648	0.000	0.000	0.000	0.000
845	E	299	ALA	0	0.000	0.013	20.190	1.499	1.499	0.000	0.000	0.000	0.000
846	E	300	VAL	0	-0.031	0.002	16.051	0.271	0.271	0.000	0.000	0.000	0.000
847	E	301	MET	0	-0.031	-0.026	14.837	3.458	3.458	0.000	0.000	0.000	0.000
848	E	302	ASP	-1	-0.772	-0.864	17.270	50.169	50.169	0.000	0.000	0.000	0.000
849	E	303	ARG	1	0.807	0.911	20.445	-43.818	-43.818	0.000	0.000	0.000	0.000
850	E	304	GLN	0	-0.033	-0.032	20.065	-2.431	-2.431	0.000	0.000	0.000	0.000
851	E	305	LYS	1	0.910	0.963	21.073	-41.278	-41.278	0.000	0.000	0.000	0.000
852	E	306	ASN	0	-0.027	-0.019	19.013	0.131	0.131	0.000	0.000	0.000	0.000
853	E	307	HIS	0	-0.026	-0.026	11.889	-0.818	-0.818	0.000	0.000	0.000	0.000
854	E	308	GLY	0	0.042	0.038	14.914	-2.076	-2.076	0.000	0.000	0.000	0.000
855	E	309	ILE	0	-0.023	-0.026	13.554	1.829	1.829	0.000	0.000	0.000	0.000
856	E	310	HIS	0	0.019	0.023	17.494	-1.246	-1.246	0.000	0.000	0.000	0.000
857	E	311	PHE	0	0.079	0.023	21.032	0.872	0.872	0.000	0.000	0.000	0.000
858	E	312	ARG	1	0.897	0.941	23.118	-46.156	-46.156	0.000	0.000	0.000	0.000
859	E	313	VAL	0	-0.011	0.014	17.945	-0.617	-0.617	0.000	0.000	0.000	0.000
860	E	314	LEU	0	-0.002	-0.006	17.443	0.083	0.083	0.000	0.000	0.000	0.000
861	E	315	ALA	0	0.005	0.005	21.056	-0.623	-0.623	0.000	0.000	0.000	0.000
862	E	316	LYS	1	0.843	0.925	22.830	-46.922	-46.922	0.000	0.000	0.000	0.000
863	E	317	CYS	0	-0.005	-0.005	19.074	0.281	0.281	0.000	0.000	0.000	0.000
864	E	318	LEU	0	0.005	0.016	21.654	-0.214	-0.214	0.000	0.000	0.000	0.000
865	E	319	ARG	1	0.781	0.895	24.199	-38.611	-38.611	0.000	0.000	0.000	0.000
866	E	320	MET	0	-0.020	-0.014	21.269	-0.713	-0.713	0.000	0.000	0.000	0.000
867	E	321	SER	0	-0.071	-0.033	22.294	-0.993	-0.993	0.000	0.000	0.000	0.000
868	E	322	GLY	0	0.001	-0.004	24.187	-1.019	-1.019	0.000	0.000	0.000	0.000
869	E	323	GLY	0	0.056	0.002	27.555	0.702	0.702	0.000	0.000	0.000	0.000
870	E	324	ASP	-1	-0.749	-0.869	29.818	34.003	34.003	0.000	0.000	0.000	0.000
871	E	325	HIS	1	0.732	0.845	32.453	-33.472	-33.472	0.000	0.000	0.000	0.000
872	E	326	ILE	0	0.037	0.013	25.717	1.136	1.136	0.000	0.000	0.000	0.000
873	E	327	HIS	0	0.146	0.145	28.939	-1.307	-1.307	0.000	0.000	0.000	0.000
874	E	328	THR	0	-0.001	-0.015	28.851	1.141	1.141	0.000	0.000	0.000	0.000
875	E	329	GLY	0	0.043	0.022	30.706	0.379	0.379	0.000	0.000	0.000	0.000
876	E	330	THR	0	0.019	0.008	31.943	-0.771	-0.771	0.000	0.000	0.000	0.000
877	E	331	VAL	0	-0.002	0.023	34.293	-0.984	-0.984	0.000	0.000	0.000	0.000
878	E	332	VAL	0	-0.023	-0.028	35.735	0.106	0.106	0.000	0.000	0.000	0.000
879	E	333	GLY	0	0.008	0.020	36.663	-0.633	-0.633	0.000	0.000	0.000	0.000
880	E	334	LYS	1	0.780	0.870	33.148	-33.305	-33.305	0.000	0.000	0.000	0.000
881	E	335	LEU	0	-0.022	-0.003	28.886	0.481	0.481	0.000	0.000	0.000	0.000
882	E	336	GLU	-1	-0.818	-0.914	28.075	40.250	40.250	0.000	0.000	0.000	0.000
883	E	337	GLY	0	0.032	0.005	29.753	0.889	0.889	0.000	0.000	0.000	0.000
884	E	338	ASP	-1	-0.809	-0.904	30.919	34.496	34.496	0.000	0.000	0.000	0.000
885	E	339	LYS	1	0.959	0.985	32.805	-29.142	-29.142	0.000	0.000	0.000	0.000
886	E	340	ALA	0	-0.011	0.004	34.039	-0.176	-0.176	0.000	0.000	0.000	0.000
887	E	341	VAL	0	-0.002	0.000	28.050	0.266	0.266	0.000	0.000	0.000	0.000
888	E	342	THR	0	-0.042	-0.040	30.729	0.744	0.744	0.000	0.000	0.000	0.000
889	E	343	LEU	0	-0.026	-0.022	32.129	-0.014	-0.014	0.000	0.000	0.000	0.000
890	E	344	GLY	0	0.059	0.045	31.573	-0.267	-0.267	0.000	0.000	0.000	0.000
891	E	345	PHE	0	-0.011	-0.014	27.881	0.409	0.409	0.000	0.000	0.000	0.000
892	E	346	VAL	0	-0.011	-0.009	29.746	0.249	0.249	0.000	0.000	0.000	0.000
893	E	347	ASP	-1	-0.868	-0.929	32.800	32.949	32.949	0.000	0.000	0.000	0.000
894	E	348	LEU	0	-0.074	-0.040	27.043	0.268	0.268	0.000	0.000	0.000	0.000
895	E	349	LEU	0	-0.022	-0.004	27.812	0.623	0.623	0.000	0.000	0.000	0.000
896	E	350	ARG	1	0.821	0.905	30.835	-32.063	-32.063	0.000	0.000	0.000	0.000
897	E	351	GLU	-1	-0.895	-0.932	34.193	30.633	30.633	0.000	0.000	0.000	0.000
898	E	352	ASN	0	0.008	-0.003	33.717	1.609	1.609	0.000	0.000	0.000	0.000
899	E	353	TYR	0	-0.010	-0.009	33.939	1.112	1.112	0.000	0.000	0.000	0.000
900	E	354	ILE	0	-0.019	0.010	31.413	-0.634	-0.634	0.000	0.000	0.000	0.000
901	E	355	GLU	-1	-0.880	-0.947	32.523	34.432	34.432	0.000	0.000	0.000	0.000
902	E	356	GLN	0	-0.046	-0.028	29.618	-0.827	-0.827	0.000	0.000	0.000	0.000
903	E	357	ASP	-1	-0.808	-0.898	31.694	32.901	32.901	0.000	0.000	0.000	0.000
904	E	358	ARG	1	0.854	0.911	28.225	-41.922	-41.922	0.000	0.000	0.000	0.000
905	E	359	SER	0	-0.103	-0.047	31.654	0.399	0.399	0.000	0.000	0.000	0.000
906	E	360	ARG	1	0.979	0.974	32.757	-32.697	-32.697	0.000	0.000	0.000	0.000
907	E	361	GLY	0	-0.017	-0.016	28.694	0.687	0.687	0.000	0.000	0.000	0.000
908	E	362	ILE	0	-0.049	0.000	27.410	1.807	1.807	0.000	0.000	0.000	0.000
909	E	363	TYR	0	-0.010	-0.022	25.193	-0.783	-0.783	0.000	0.000	0.000	0.000
910	E	364	PHE	0	-0.032	-0.021	22.403	-0.320	-0.320	0.000	0.000	0.000	0.000
911	E	365	THR	0	0.037	0.027	27.861	-0.190	-0.190	0.000	0.000	0.000	0.000
912	E	366	GLN	0	-0.080	-0.044	26.322	2.752	2.752	0.000	0.000	0.000	0.000
913	E	367	ASP	-1	-0.845	-0.922	29.800	34.380	34.380	0.000	0.000	0.000	0.000
914	E	368	TRP	0	0.001	-0.021	25.957	1.896	1.896	0.000	0.000	0.000	0.000
915	E	369	ALA	0	-0.027	-0.013	31.345	0.118	0.118	0.000	0.000	0.000	0.000
916	E	370	SER	0	-0.086	-0.054	33.603	-0.497	-0.497	0.000	0.000	0.000	0.000
917	E	371	MET	0	-0.035	0.019	27.293	-0.107	-0.107	0.000	0.000	0.000	0.000
918	E	372	PRO	0	0.016	0.020	32.744	-0.252	-0.252	0.000	0.000	0.000	0.000
919	E	373	GLY	0	0.055	0.038	32.611	1.156	1.156	0.000	0.000	0.000	0.000
920	E	374	VAL	0	-0.026	-0.024	29.788	-0.465	-0.465	0.000	0.000	0.000	0.000
921	E	375	MET	0	-0.027	-0.005	33.186	-0.368	-0.368	0.000	0.000	0.000	0.000
922	E	376	ALA	0	0.024	0.017	33.590	0.948	0.948	0.000	0.000	0.000	0.000
923	E	377	VAL	0	0.003	0.020	32.917	-1.010	-1.010	0.000	0.000	0.000	0.000
924	E	378	ALA	0	0.017	0.021	33.495	0.924	0.924	0.000	0.000	0.000	0.000
925	E	379	SER	0	0.019	-0.022	33.663	-1.133	-1.133	0.000	0.000	0.000	0.000
926	E	380	GLY	0	0.070	0.034	33.764	0.867	0.867	0.000	0.000	0.000	0.000
927	E	381	GLY	0	-0.030	-0.020	35.124	0.038	0.038	0.000	0.000	0.000	0.000
928	E	382	ILE	0	-0.066	-0.014	37.977	-0.378	-0.378	0.000	0.000	0.000	0.000
929	E	383	HIS	0	0.026	-0.022	40.447	-0.591	-0.591	0.000	0.000	0.000	0.000
930	E	384	VAL	0	0.050	0.012	44.164	0.092	0.092	0.000	0.000	0.000	0.000
931	E	385	TRP	0	-0.066	-0.033	46.872	-0.379	-0.379	0.000	0.000	0.000	0.000
932	E	386	HIS	0	0.033	0.025	42.019	-0.162	-0.162	0.000	0.000	0.000	0.000
933	E	387	MET	0	-0.021	0.008	44.261	0.518	0.518	0.000	0.000	0.000	0.000
934	E	388	PRO	0	0.035	0.008	45.683	0.250	0.250	0.000	0.000	0.000	0.000
935	E	389	ALA	0	0.026	0.009	43.073	0.136	0.136	0.000	0.000	0.000	0.000
936	E	390	LEU	0	-0.021	-0.002	39.421	0.545	0.545	0.000	0.000	0.000	0.000
937	E	391	VAL	0	-0.006	-0.010	41.872	0.454	0.454	0.000	0.000	0.000	0.000
938	E	392	ASP	-1	-0.944	-0.976	44.330	26.890	26.890	0.000	0.000	0.000	0.000
939	E	393	ILE	0	-0.068	-0.023	38.109	0.344	0.344	0.000	0.000	0.000	0.000
940	E	394	PHE	0	-0.014	-0.011	34.898	0.498	0.498	0.000	0.000	0.000	0.000
941	E	395	GLY	0	0.027	0.033	39.836	0.297	0.297	0.000	0.000	0.000	0.000
942	E	396	ASP	-1	-0.782	-0.910	42.660	26.195	26.195	0.000	0.000	0.000	0.000
943	E	397	ASP	-1	-0.905	-0.941	39.328	29.038	29.038	0.000	0.000	0.000	0.000
944	E	398	ALA	0	0.005	-0.014	38.018	1.096	1.096	0.000	0.000	0.000	0.000
945	E	399	VAL	0	-0.016	-0.009	37.303	-0.858	-0.858	0.000	0.000	0.000	0.000
946	E	400	LEU	0	-0.010	-0.008	37.835	0.705	0.705	0.000	0.000	0.000	0.000
947	E	401	GLN	0	0.049	0.012	34.499	-0.745	-0.745	0.000	0.000	0.000	0.000
948	E	402	PHE	0	-0.001	-0.009	38.780	0.328	0.328	0.000	0.000	0.000	0.000
949	E	403	GLY	0	0.042	0.025	38.826	-0.520	-0.520	0.000	0.000	0.000	0.000
950	E	404	GLY	0	0.051	0.000	39.545	-0.813	-0.813	0.000	0.000	0.000	0.000
951	E	405	GLY	0	-0.040	-0.017	41.493	-0.700	-0.700	0.000	0.000	0.000	0.000
952	E	406	THR	0	-0.051	-0.032	43.409	-0.751	-0.751	0.000	0.000	0.000	0.000
953	E	407	LEU	0	-0.012	-0.029	41.995	-0.661	-0.661	0.000	0.000	0.000	0.000
954	E	408	GLY	0	0.030	0.017	44.971	-0.278	-0.278	0.000	0.000	0.000	0.000
955	E	409	HIS	0	-0.049	-0.017	46.067	-0.314	-0.314	0.000	0.000	0.000	0.000
956	E	410	PRO	0	-0.009	-0.010	49.284	-0.060	-0.060	0.000	0.000	0.000	0.000
957	E	411	TRP	0	-0.029	-0.027	52.426	-0.248	-0.248	0.000	0.000	0.000	0.000
958	E	412	GLY	0	0.022	0.029	50.380	-0.235	-0.235	0.000	0.000	0.000	0.000
959	E	413	ASN	0	0.051	0.021	46.563	0.163	0.163	0.000	0.000	0.000	0.000
960	E	414	ALA	0	0.041	0.032	49.120	0.166	0.166	0.000	0.000	0.000	0.000
961	E	415	PRO	0	0.015	-0.006	51.605	-0.006	-0.006	0.000	0.000	0.000	0.000
962	E	416	GLY	0	0.051	0.025	48.851	-0.020	-0.020	0.000	0.000	0.000	0.000
963	E	417	ALA	0	-0.011	0.003	47.855	0.296	0.296	0.000	0.000	0.000	0.000
964	E	418	THR	0	-0.008	-0.013	48.845	-0.029	-0.029	0.000	0.000	0.000	0.000
965	E	419	ALA	0	-0.042	-0.010	50.422	-0.094	-0.094	0.000	0.000	0.000	0.000
966	E	420	ASN	0	0.004	-0.006	45.867	-0.046	-0.046	0.000	0.000	0.000	0.000
967	E	421	ARG	1	0.723	0.838	48.415	-23.648	-23.648	0.000	0.000	0.000	0.000
968	E	422	VAL	0	-0.001	-0.010	49.960	-0.117	-0.117	0.000	0.000	0.000	0.000
969	E	423	ALA	0	-0.015	-0.014	49.452	-0.138	-0.138	0.000	0.000	0.000	0.000
970	E	424	LEU	0	0.038	0.019	45.881	0.018	0.018	0.000	0.000	0.000	0.000
971	E	425	GLU	-1	-0.742	-0.886	49.183	22.794	22.794	0.000	0.000	0.000	0.000
972	E	426	ALA	0	-0.018	-0.004	52.191	-0.312	-0.312	0.000	0.000	0.000	0.000
973	E	427	CYS	0	-0.046	-0.017	49.388	-0.130	-0.130	0.000	0.000	0.000	0.000
974	E	428	ILE	0	0.016	0.013	47.479	0.007	0.007	0.000	0.000	0.000	0.000
975	E	429	GLN	0	-0.007	-0.001	51.315	-0.511	-0.511	0.000	0.000	0.000	0.000
976	E	430	ALA	0	0.052	0.013	53.811	-0.216	-0.216	0.000	0.000	0.000	0.000
977	E	431	ARG	1	0.871	0.929	46.970	-25.389	-25.389	0.000	0.000	0.000	0.000
978	E	432	ASN	0	-0.025	-0.020	52.294	0.287	0.287	0.000	0.000	0.000	0.000
979	E	433	GLU	-1	-0.958	-0.991	54.655	20.292	20.292	0.000	0.000	0.000	0.000
980	E	434	GLY	0	-0.078	-0.037	55.528	-0.376	-0.376	0.000	0.000	0.000	0.000
981	E	435	ARG	1	0.760	0.880	55.486	-21.212	-21.212	0.000	0.000	0.000	0.000
982	E	436	ASP	-1	-0.843	-0.919	51.489	24.470	24.470	0.000	0.000	0.000	0.000
983	E	437	LEU	0	0.024	0.002	48.046	-0.230	-0.230	0.000	0.000	0.000	0.000
984	E	438	MET	0	-0.003	0.002	43.973	0.096	0.096	0.000	0.000	0.000	0.000
985	E	439	ARG	1	0.845	0.937	49.269	-22.930	-22.930	0.000	0.000	0.000	0.000
986	E	440	GLU	-1	-0.853	-0.924	52.877	21.358	21.358	0.000	0.000	0.000	0.000
987	E	441	GLY	0	0.063	0.041	50.768	-0.136	-0.136	0.000	0.000	0.000	0.000
988	E	442	GLY	0	-0.009	-0.029	51.597	-0.068	-0.068	0.000	0.000	0.000	0.000
989	E	443	ASP	-1	-0.938	-0.970	53.362	21.382	21.382	0.000	0.000	0.000	0.000
990	E	444	ILE	0	0.037	0.025	53.014	-0.362	-0.362	0.000	0.000	0.000	0.000
991	E	445	ILE	0	-0.010	0.004	50.254	-0.190	-0.190	0.000	0.000	0.000	0.000
992	E	446	ARG	1	0.958	0.963	54.088	-22.159	-22.159	0.000	0.000	0.000	0.000
993	E	447	GLU	-1	-0.934	-0.961	57.231	20.213	20.213	0.000	0.000	0.000	0.000
994	E	448	ALA	0	0.011	0.010	55.576	-0.334	-0.334	0.000	0.000	0.000	0.000
995	E	449	ALA	0	-0.032	-0.028	56.038	-0.174	-0.174	0.000	0.000	0.000	0.000
996	E	450	ARG	1	0.920	0.964	57.632	-19.770	-19.770	0.000	0.000	0.000	0.000
997	E	451	TRP	0	-0.054	-0.027	58.235	-0.566	-0.566	0.000	0.000	0.000	0.000
998	E	452	SER	0	0.004	0.028	56.510	0.058	0.058	0.000	0.000	0.000	0.000
999	E	453	PRO	0	0.021	-0.003	57.968	0.176	0.176	0.000	0.000	0.000	0.000
1000	E	454	GLU	-1	-0.865	-0.932	54.044	21.338	21.338	0.000	0.000	0.000	0.000
1001	E	455	LEU	0	0.023	0.017	51.849	0.405	0.405	0.000	0.000	0.000	0.000
1002	E	456	ALA	0	0.019	0.014	53.731	0.291	0.291	0.000	0.000	0.000	0.000
1003	E	457	ALA	0	-0.011	-0.004	54.965	0.153	0.153	0.000	0.000	0.000	0.000
1004	E	458	ALA	0	0.007	-0.002	49.789	0.240	0.240	0.000	0.000	0.000	0.000
1005	E	459	CYS	0	-0.044	-0.022	50.483	0.416	0.416	0.000	0.000	0.000	0.000
1006	E	460	GLU	-1	-0.950	-0.981	51.947	21.604	21.604	0.000	0.000	0.000	0.000
1007	E	461	LEU	0	-0.043	-0.011	48.553	0.008	0.008	0.000	0.000	0.000	0.000
1008	E	462	TRP	0	-0.004	-0.012	45.551	0.173	0.173	0.000	0.000	0.000	0.000
1009	E	463	LYS	1	0.871	0.954	47.738	-21.994	-21.994	0.000	0.000	0.000	0.000
1010	E	464	GLU	-1	-0.943	-0.978	48.714	23.558	23.558	0.000	0.000	0.000	0.000
1011	E	465	ILE	0	-0.060	-0.010	42.553	0.387	0.387	0.000	0.000	0.000	0.000
1012	E	466	LYS	1	0.963	0.982	42.763	-25.548	-25.548	0.000	0.000	0.000	0.000
1013	E	467	PHE	0	0.004	0.005	37.183	0.243	0.243	0.000	0.000	0.000	0.000
1014	E	468	GLU	-1	-0.967	-0.991	38.565	28.093	28.093	0.000	0.000	0.000	0.000
1015	E	469	PHE	0	0.009	-0.003	34.489	-0.215	-0.215	0.000	0.000	0.000	0.000
1016	E	470	GLU	-1	-0.960	-0.973	33.269	34.839	34.839	0.000	0.000	0.000	0.000
1017	E	471	ALA	0	-0.034	-0.014	30.603	0.687	0.687	0.000	0.000	0.000	0.000
1018	E	472	GLN	0	-0.026	-0.017	25.961	-1.626	-1.626	0.000	0.000	0.000	0.000
1019	E	473	ASP	-1	-0.822	-0.901	25.468	46.003	46.003	0.000	0.000	0.000	0.000
1020	E	474	THR	0	-0.015	-0.003	27.029	-1.354	-1.354	0.000	0.000	0.000	0.000
1021	E	475	ILE	0	-0.039	-0.022	28.611	1.324	1.324	0.000	0.000	0.000	0.000
1022	F	14	SER	0	-0.052	-0.027	55.181	-0.001	-0.001	0.000	0.000	0.000	0.000
1023	F	15	TYR	0	-0.018	-0.019	53.552	-0.211	-0.211	0.000	0.000	0.000	0.000
1024	F	16	LEU	0	-0.039	-0.012	55.547	-0.092	-0.092	0.000	0.000	0.000	0.000
1025	F	17	PRO	0	-0.016	-0.014	58.578	-0.222	-0.222	0.000	0.000	0.000	0.000
1026	F	18	PRO	0	-0.044	-0.028	61.874	0.149	0.149	0.000	0.000	0.000	0.000
1027	F	19	LEU	0	0.027	0.031	59.527	-0.144	-0.144	0.000	0.000	0.000	0.000
1028	F	20	SER	0	-0.014	-0.005	63.854	-0.303	-0.303	0.000	0.000	0.000	0.000
1029	F	21	ASP	-1	-0.845	-0.943	65.741	18.188	18.188	0.000	0.000	0.000	0.000
1030	F	22	ALA	0	-0.045	-0.024	66.847	0.134	0.134	0.000	0.000	0.000	0.000
1031	F	23	GLN	0	0.050	0.025	62.329	-0.016	-0.016	0.000	0.000	0.000	0.000
1032	F	24	ILE	0	0.023	0.015	61.848	0.374	0.374	0.000	0.000	0.000	0.000
1033	F	25	ALA	0	0.020	0.001	62.062	0.272	0.272	0.000	0.000	0.000	0.000
1034	F	26	ARG	1	0.865	0.946	59.336	-20.630	-20.630	0.000	0.000	0.000	0.000
1035	F	27	GLN	0	0.031	0.028	56.363	0.604	0.604	0.000	0.000	0.000	0.000
1036	F	28	ILE	0	0.001	-0.007	57.689	0.319	0.319	0.000	0.000	0.000	0.000
1037	F	29	GLN	0	-0.069	-0.048	59.160	-0.119	-0.119	0.000	0.000	0.000	0.000
1038	F	30	TYR	0	0.000	0.024	51.172	0.220	0.220	0.000	0.000	0.000	0.000
1039	F	31	ALA	0	0.016	-0.006	54.529	0.365	0.365	0.000	0.000	0.000	0.000
1040	F	32	ILE	0	-0.010	-0.003	55.144	0.227	0.227	0.000	0.000	0.000	0.000
1041	F	33	ASP	-1	-0.899	-0.949	56.634	21.145	21.145	0.000	0.000	0.000	0.000
1042	F	34	GLN	0	-0.092	-0.036	50.579	0.639	0.639	0.000	0.000	0.000	0.000
1043	F	35	GLY	0	-0.023	0.004	51.969	0.412	0.412	0.000	0.000	0.000	0.000
1044	F	36	TYR	0	-0.057	-0.024	48.001	0.075	0.075	0.000	0.000	0.000	0.000
1045	F	37	HIS	0	0.006	-0.012	53.288	-0.840	-0.840	0.000	0.000	0.000	0.000
1046	F	38	PRO	0	0.000	0.005	56.047	0.188	0.188	0.000	0.000	0.000	0.000
1047	F	39	CYS	0	-0.003	-0.003	57.673	-0.220	-0.220	0.000	0.000	0.000	0.000
1048	F	40	VAL	0	0.015	0.024	59.562	0.109	0.109	0.000	0.000	0.000	0.000
1049	F	41	GLU	-1	-0.815	-0.885	56.784	21.806	21.806	0.000	0.000	0.000	0.000
1050	F	42	PHE	0	-0.001	-0.028	61.470	-0.081	-0.081	0.000	0.000	0.000	0.000
1051	F	43	ASN	0	0.037	0.008	60.795	0.070	0.070	0.000	0.000	0.000	0.000
1052	F	44	GLU	-1	-0.888	-0.940	63.278	19.257	19.257	0.000	0.000	0.000	0.000
1053	F	45	THR	0	-0.067	-0.034	60.613	-0.133	-0.133	0.000	0.000	0.000	0.000
1054	F	46	SER	0	0.009	-0.006	59.286	0.056	0.056	0.000	0.000	0.000	0.000
1055	F	47	ASN	0	0.011	0.008	55.326	0.588	0.588	0.000	0.000	0.000	0.000
1056	F	48	ALA	0	0.041	0.023	51.721	-0.041	-0.041	0.000	0.000	0.000	0.000
1057	F	49	GLU	-1	-0.879	-0.938	51.812	23.336	23.336	0.000	0.000	0.000	0.000
1058	F	50	ILE	0	-0.086	-0.030	53.278	0.015	0.015	0.000	0.000	0.000	0.000
1059	F	51	ARG	1	0.869	0.928	47.494	-25.063	-25.063	0.000	0.000	0.000	0.000
1060	F	52	TYR	0	-0.014	-0.016	51.133	0.216	0.216	0.000	0.000	0.000	0.000
1061	F	53	TRP	0	0.009	0.023	56.122	-0.431	-0.431	0.000	0.000	0.000	0.000
1062	F	54	THR	0	0.000	-0.003	59.151	0.164	0.164	0.000	0.000	0.000	0.000
1063	F	55	MET	0	0.002	0.006	59.911	0.050	0.050	0.000	0.000	0.000	0.000
1064	F	56	TRP	0	-0.065	-0.049	61.698	-0.272	-0.272	0.000	0.000	0.000	0.000
1065	F	57	LYS	1	0.778	0.898	64.122	-17.797	-17.797	0.000	0.000	0.000	0.000
1066	F	58	LEU	0	0.009	-0.008	61.298	0.206	0.206	0.000	0.000	0.000	0.000
1067	F	59	PRO	0	0.026	0.004	57.747	-0.156	-0.156	0.000	0.000	0.000	0.000
1068	F	60	LEU	0	-0.029	-0.008	60.228	-0.183	-0.183	0.000	0.000	0.000	0.000
1069	F	61	PHE	0	0.017	0.003	55.815	0.229	0.229	0.000	0.000	0.000	0.000
1070	F	62	ASN	0	-0.038	-0.024	59.103	-0.059	-0.059	0.000	0.000	0.000	0.000
1071	F	63	CYS	0	-0.007	0.009	60.937	-0.375	-0.375	0.000	0.000	0.000	0.000
1072	F	64	THR	0	0.015	0.000	61.503	0.181	0.181	0.000	0.000	0.000	0.000
1073	F	65	ASN	0	-0.004	-0.006	63.248	0.094	0.094	0.000	0.000	0.000	0.000
1074	F	66	ALA	0	0.090	0.040	63.314	0.001	0.001	0.000	0.000	0.000	0.000
1075	F	67	GLN	0	-0.069	-0.042	64.715	0.035	0.035	0.000	0.000	0.000	0.000
1076	F	68	ASP	-1	-0.866	-0.941	66.672	18.047	18.047	0.000	0.000	0.000	0.000
1077	F	69	VAL	0	0.011	0.010	62.183	-0.057	-0.057	0.000	0.000	0.000	0.000
1078	F	70	LEU	0	0.024	0.001	65.382	-0.061	-0.061	0.000	0.000	0.000	0.000
1079	F	71	ASN	0	-0.015	-0.005	67.588	-0.284	-0.284	0.000	0.000	0.000	0.000
1080	F	72	GLU	-1	-0.827	-0.907	66.542	17.959	17.959	0.000	0.000	0.000	0.000
1081	F	73	VAL	0	0.000	0.012	65.065	-0.031	-0.031	0.000	0.000	0.000	0.000
1082	F	74	GLN	0	-0.007	-0.002	67.783	-0.183	-0.183	0.000	0.000	0.000	0.000
1083	F	75	GLN	0	0.017	0.008	71.256	-0.217	-0.217	0.000	0.000	0.000	0.000
1084	F	76	CYS	0	-0.008	0.023	67.535	-0.069	-0.069	0.000	0.000	0.000	0.000
1085	F	77	ARG	1	0.941	0.953	69.976	-17.745	-17.745	0.000	0.000	0.000	0.000
1086	F	78	SER	0	-0.060	-0.035	71.282	-0.144	-0.144	0.000	0.000	0.000	0.000
1087	F	79	GLU	-1	-0.959	-0.976	72.501	16.930	16.930	0.000	0.000	0.000	0.000
1088	F	80	TYR	0	-0.034	-0.014	69.709	-0.077	-0.077	0.000	0.000	0.000	0.000
1089	F	81	PRO	0	0.025	0.028	70.605	0.222	0.222	0.000	0.000	0.000	0.000
1090	F	82	ASN	0	-0.038	-0.026	71.272	0.019	0.019	0.000	0.000	0.000	0.000
1091	F	83	CYS	0	-0.015	0.005	66.534	0.091	0.091	0.000	0.000	0.000	0.000
1092	F	84	PHE	0	0.006	0.000	62.765	-0.090	-0.090	0.000	0.000	0.000	0.000
1093	F	85	ILE	0	0.008	0.007	63.706	0.057	0.057	0.000	0.000	0.000	0.000
1094	F	86	ARG	1	0.823	0.895	55.206	-22.036	-22.036	0.000	0.000	0.000	0.000
1095	F	87	VAL	0	0.013	0.015	58.834	-0.174	-0.174	0.000	0.000	0.000	0.000
1096	F	88	VAL	0	0.001	0.005	54.584	0.291	0.291	0.000	0.000	0.000	0.000
1097	F	89	ALA	0	0.018	0.008	53.933	-0.352	-0.352	0.000	0.000	0.000	0.000
1098	F	90	PHE	0	-0.034	-0.015	50.884	0.420	0.420	0.000	0.000	0.000	0.000
1099	F	91	ASP	-1	-0.776	-0.888	47.042	25.610	25.610	0.000	0.000	0.000	0.000
1100	F	92	ASN	0	-0.003	-0.023	48.442	0.174	0.174	0.000	0.000	0.000	0.000
1101	F	93	ILE	0	-0.035	-0.007	44.739	0.187	0.187	0.000	0.000	0.000	0.000
1102	F	94	LYS	1	0.965	0.980	42.032	-27.912	-27.912	0.000	0.000	0.000	0.000
1103	F	95	GLN	0	-0.031	-0.005	43.994	0.739	0.739	0.000	0.000	0.000	0.000
1104	F	96	CYS	0	0.021	0.011	44.645	0.426	0.426	0.000	0.000	0.000	0.000
1105	F	97	GLN	0	0.012	0.006	46.788	-0.579	-0.579	0.000	0.000	0.000	0.000
1106	F	98	VAL	0	0.004	-0.008	47.096	0.425	0.425	0.000	0.000	0.000	0.000
1107	F	99	MET	0	-0.009	-0.002	49.330	-0.163	-0.163	0.000	0.000	0.000	0.000
1108	F	100	SER	0	0.027	0.011	52.269	-0.349	-0.349	0.000	0.000	0.000	0.000
1109	F	101	PHE	0	0.007	0.012	54.460	0.093	0.093	0.000	0.000	0.000	0.000
1110	F	102	ILE	0	-0.023	-0.020	57.240	-0.289	-0.289	0.000	0.000	0.000	0.000
1111	F	103	VAL	0	-0.022	-0.012	60.360	-0.053	-0.053	0.000	0.000	0.000	0.000
1112	F	104	TYR	0	-0.084	-0.054	63.582	-0.417	-0.417	0.000	0.000	0.000	0.000
1113	F	105	LYS	1	0.964	0.980	61.613	-19.522	-19.522	0.000	0.000	0.000	0.000
1114	F	106	PRO	0	-0.003	0.025	66.257	-0.230	-0.230	0.000	0.000	0.000	0.000
1115	E	477	CAP	-4	-3.335	-3.631	28.348	139.989	139.989	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #558(A:477:CAP)