FMO DATABASE

FMODB ID: 22NMR

Calculation Name: 2V69-ABIJ-Xray434

Preferred Name:

Target Type:

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

ligand 3-letter code: CAP

PDB ID: 2V69

Chain ID: ABIJ

ChEMBL ID:

UniProt ID: P00877

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	1200
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-43034400.925277
FMO2-HF: Nuclear repulsion	42550627.592577
FMO2-HF: Total energy	-483773.3327
FMO2-MP2: Total energy	-485154.043403

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.
-1079.671	-1092.037	185.824	-87.926	-85.534	-0.735

Interactive mode: IFIE and PIEDA for fragment #1199(A:1471:CAP)

Summations of interaction energy for fragment #1199(A:1471: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.
-1079.671	-1092.037	185.824	-87.926	-85.534	0.735

Interaction energy analysis for fragmet #1199(A:1471:CAP)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : -4 / q_Mulliken : -2.877 / q_NPA : -3.307

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].
163	A	173	THR	0	0.093	0.037	2.067	-18.729	-16.194	5.960	-4.098	-4.397	-0.019
164	A	174	ILE	0	-0.004	-0.009	4.131	7.741	7.965	-0.001	-0.056	-0.167	0.000
165	A	175	LYS	1	0.829	0.915	2.182	-230.814	-227.183	7.128	-4.536	-6.223	0.067
167	A	177	LYS	1	0.751	0.886	4.162	-162.613	-162.166	-0.001	-0.170	-0.277	0.000
191	A	201	KCX	-1	-0.561	-0.831	1.783	175.479	173.200	17.634	-7.538	-7.817	-0.084
193	A	203	ASP	0	0.210	0.065	4.349	5.724	5.862	-0.001	-0.038	-0.098	0.000
194	A	204	GLU	0	0.186	-0.025	3.973	-16.053	-15.699	-0.001	-0.094	-0.259	0.000
285	A	294	HIS	0	0.082	0.023	1.831	-2.017	-4.413	10.074	-3.493	-4.186	0.015
286	A	295	ARG	1	0.768	0.854	1.681	-279.899	-282.595	26.472	-14.032	-9.743	0.182
287	A	296	ALA	0	0.026	0.001	4.976	-0.230	-0.139	-0.001	-0.009	-0.080	0.000
289	A	298	HIS	1	0.866	0.909	3.142	-180.735	-178.603	0.094	-1.113	-1.113	0.011
318	A	327	HIS	0	-0.004	-0.007	1.736	-57.570	-58.745	16.178	-7.940	-7.064	0.093
319	A	328	SER	0	0.025	-0.007	4.664	-6.481	-6.305	-0.001	-0.017	-0.158	0.000
320	A	329	GLY	0	0.017	0.010	3.457	-9.607	-8.331	0.053	-0.665	-0.665	0.005
321	A	330	THR	0	0.013	-0.001	4.393	-22.577	-22.326	0.001	-0.058	-0.194	0.000
325	A	334	LYS	1	0.779	0.887	1.985	-265.934	-264.881	8.304	-4.732	-4.626	0.067
326	A	335	LEU	0	-0.029	-0.017	2.706	-18.000	-14.811	1.101	-1.673	-2.617	0.015
327	A	336	GLU	-1	-0.993	-1.004	5.800	94.035	94.090	-0.001	-0.002	-0.052	0.000
369	A	378	ALA	0	0.033	0.036	4.895	18.402	18.610	-0.001	-0.006	-0.200	0.000
370	A	379	SER	0	0.005	-0.040	1.889	-31.075	-29.071	9.524	-5.572	-5.955	0.031
371	A	380	GLY	0	0.062	0.033	2.031	5.380	7.236	9.827	-6.624	-5.059	0.037
372	A	381	GLY	0	-0.020	-0.032	1.822	-44.578	-51.873	11.453	-0.403	-3.755	0.056
373	A	382	ILE	0	-0.068	-0.009	3.808	-30.839	-29.994	0.031	-0.419	-0.457	0.004
374	A	383	HIS	0	0.024	-0.017	5.455	7.886	8.008	-0.001	-0.002	-0.119	0.000
392	A	401	GLN	0	0.031	0.008	4.069	-23.938	-23.760	-0.001	-0.023	-0.153	0.000
393	A	402	PHE	0	0.003	0.001	3.622	19.353	20.291	0.026	-0.350	-0.614	0.001
394	A	403	GLY	0	0.083	0.044	1.981	-39.691	-39.513	9.232	-5.579	-3.831	0.070
395	A	404	GLY	0	0.038	-0.008	1.680	-54.922	-66.173	19.471	-4.103	-4.117	0.065
396	A	405	GLY	0	-0.034	-0.016	3.648	-31.833	-30.957	0.032	-0.421	-0.488	0.006
515	B	65	THR	0	-0.053	-0.058	1.579	-11.692	-24.007	26.731	-10.157	-4.259	0.077
516	B	66	TRP	0	0.019	0.013	2.332	-50.303	-47.692	3.302	-2.507	-3.407	0.037
573	B	123	ASN	0	0.080	0.019	2.361	6.585	8.159	3.207	-1.485	-3.297	-0.001
574	B	124	VAL	0	0.038	0.023	4.793	2.338	2.437	-0.001	-0.011	-0.087	0.000
1	A	11	ALA	0	-0.007	-0.014	50.152	-0.104	-0.104	0.000	0.000	0.000	0.000
2	A	12	GLY	0	0.027	0.021	51.983	0.019	0.019	0.000	0.000	0.000	0.000
3	A	13	PHE	0	-0.031	-0.014	47.381	0.294	0.294	0.000	0.000	0.000	0.000
4	A	14	LYS	1	0.935	0.962	49.723	-24.012	-24.012	0.000	0.000	0.000	0.000
5	A	15	ALA	0	0.019	0.018	48.557	0.460	0.460	0.000	0.000	0.000	0.000
6	A	16	GLY	0	0.056	0.023	47.395	-0.331	-0.331	0.000	0.000	0.000	0.000
7	A	17	VAL	0	-0.003	-0.006	42.103	0.238	0.238	0.000	0.000	0.000	0.000
8	A	18	LYS	1	0.876	0.948	43.154	-27.159	-27.159	0.000	0.000	0.000	0.000
9	A	19	ASP	-1	-0.862	-0.918	41.176	28.431	28.431	0.000	0.000	0.000	0.000
10	A	20	TYR	0	-0.038	-0.027	35.809	-0.324	-0.324	0.000	0.000	0.000	0.000
11	A	21	ARG	1	0.926	0.954	38.554	-29.014	-29.014	0.000	0.000	0.000	0.000
12	A	22	LEU	0	-0.048	-0.018	39.446	-0.289	-0.289	0.000	0.000	0.000	0.000
13	A	23	THR	0	-0.041	-0.021	40.073	-0.597	-0.597	0.000	0.000	0.000	0.000
14	A	24	TYR	0	-0.004	-0.008	35.258	-0.124	-0.124	0.000	0.000	0.000	0.000
15	A	25	TYR	0	0.015	0.022	35.472	0.591	0.591	0.000	0.000	0.000	0.000
16	A	26	THR	0	-0.062	-0.044	36.887	-0.848	-0.848	0.000	0.000	0.000	0.000
17	A	27	PRO	0	0.010	0.005	37.041	0.522	0.522	0.000	0.000	0.000	0.000
18	A	28	ASP	-1	-0.884	-0.928	38.119	27.878	27.878	0.000	0.000	0.000	0.000
19	A	29	TYR	0	-0.160	-0.094	34.348	-0.794	-0.794	0.000	0.000	0.000	0.000
20	A	30	VAL	0	0.019	0.013	37.241	0.525	0.525	0.000	0.000	0.000	0.000
21	A	31	VAL	0	-0.019	-0.008	31.942	-0.119	-0.119	0.000	0.000	0.000	0.000
22	A	32	ARG	1	0.930	0.966	34.350	-30.825	-30.825	0.000	0.000	0.000	0.000
23	A	33	ASP	-1	-0.869	-0.945	32.771	34.792	34.792	0.000	0.000	0.000	0.000
24	A	34	THR	0	-0.051	-0.036	31.256	0.671	0.671	0.000	0.000	0.000	0.000
25	A	35	ASP	-1	-0.803	-0.883	30.555	34.791	34.791	0.000	0.000	0.000	0.000
26	A	36	ILE	0	0.006	0.015	24.419	0.839	0.839	0.000	0.000	0.000	0.000
27	A	37	LEU	0	-0.046	-0.014	25.891	-1.069	-1.069	0.000	0.000	0.000	0.000
28	A	38	ALA	0	0.018	0.018	23.441	2.138	2.138	0.000	0.000	0.000	0.000
29	A	39	ALA	0	0.026	0.023	22.172	-1.867	-1.867	0.000	0.000	0.000	0.000
30	A	40	PHE	0	0.008	-0.011	21.831	2.759	2.759	0.000	0.000	0.000	0.000
31	A	41	ARG	1	0.853	0.930	19.202	-53.795	-53.795	0.000	0.000	0.000	0.000
32	A	42	MET	0	-0.006	0.005	23.137	0.857	0.857	0.000	0.000	0.000	0.000
33	A	43	THR	0	0.016	0.010	24.955	-0.148	-0.148	0.000	0.000	0.000	0.000
34	A	44	PRO	0	0.049	0.029	27.350	0.358	0.358	0.000	0.000	0.000	0.000
35	A	45	GLN	0	0.015	0.016	30.764	-0.003	-0.003	0.000	0.000	0.000	0.000
36	A	46	PRO	0	-0.003	-0.017	32.773	-0.466	-0.466	0.000	0.000	0.000	0.000
37	A	47	GLY	0	0.003	0.003	35.510	-0.451	-0.451	0.000	0.000	0.000	0.000
38	A	48	VAL	0	-0.028	0.000	34.539	-0.740	-0.740	0.000	0.000	0.000	0.000
39	A	49	PRO	0	-0.001	0.005	35.403	0.715	0.715	0.000	0.000	0.000	0.000
40	A	50	PRO	0	0.092	0.033	33.158	0.328	0.328	0.000	0.000	0.000	0.000
41	A	51	GLU	-1	-0.885	-0.950	33.714	31.563	31.563	0.000	0.000	0.000	0.000
42	A	52	GLU	-1	-0.779	-0.898	35.793	30.507	30.507	0.000	0.000	0.000	0.000
43	A	53	CYS	0	-0.034	-0.009	30.336	0.548	0.548	0.000	0.000	0.000	0.000
44	A	54	GLY	0	0.038	0.004	30.751	0.892	0.892	0.000	0.000	0.000	0.000
45	A	55	ALA	0	-0.014	-0.005	31.696	0.484	0.484	0.000	0.000	0.000	0.000
46	A	56	ALA	0	0.011	0.009	32.503	-0.129	-0.129	0.000	0.000	0.000	0.000
47	A	57	VAL	0	-0.016	-0.011	26.960	0.317	0.317	0.000	0.000	0.000	0.000
48	A	58	ALA	0	0.037	0.019	29.486	0.428	0.428	0.000	0.000	0.000	0.000
49	A	59	ALA	0	-0.012	0.021	31.111	-0.159	-0.159	0.000	0.000	0.000	0.000
50	A	60	GLU	-1	-0.810	-0.918	30.878	33.931	33.931	0.000	0.000	0.000	0.000
51	A	61	SER	0	-0.005	0.014	26.893	0.604	0.604	0.000	0.000	0.000	0.000
52	A	62	SER	0	-0.026	-0.043	28.839	0.090	0.090	0.000	0.000	0.000	0.000
53	A	63	THR	0	-0.025	-0.023	31.547	-0.414	-0.414	0.000	0.000	0.000	0.000
54	A	64	GLY	0	-0.017	0.000	34.545	-0.888	-0.888	0.000	0.000	0.000	0.000
55	A	65	THR	0	-0.032	-0.044	34.768	0.941	0.941	0.000	0.000	0.000	0.000
56	A	66	TRP	0	-0.001	0.000	36.924	-0.562	-0.562	0.000	0.000	0.000	0.000
57	A	67	THR	0	0.003	0.009	38.517	-0.771	-0.771	0.000	0.000	0.000	0.000
58	A	68	THR	0	-0.057	-0.018	41.698	0.454	0.454	0.000	0.000	0.000	0.000
59	A	69	VAL	0	0.034	0.010	41.450	-0.475	-0.475	0.000	0.000	0.000	0.000
60	A	70	TRP	0	-0.035	-0.030	44.274	-0.145	-0.145	0.000	0.000	0.000	0.000
61	A	71	THR	0	-0.063	-0.085	42.729	-0.395	-0.395	0.000	0.000	0.000	0.000
62	A	72	ASP	-1	-0.859	-0.933	41.783	28.077	28.077	0.000	0.000	0.000	0.000
63	A	73	GLY	0	-0.040	-0.015	44.028	-0.001	-0.001	0.000	0.000	0.000	0.000
64	A	74	LEU	0	-0.095	-0.040	45.739	-0.365	-0.365	0.000	0.000	0.000	0.000
65	A	75	THR	0	-0.046	-0.019	41.251	-0.029	-0.029	0.000	0.000	0.000	0.000
66	A	76	SER	0	0.010	0.007	42.881	-0.196	-0.196	0.000	0.000	0.000	0.000
67	A	77	LEU	0	0.064	0.012	39.194	0.555	0.555	0.000	0.000	0.000	0.000
68	A	78	ASP	-1	-0.941	-0.962	39.528	27.733	27.733	0.000	0.000	0.000	0.000
69	A	79	ARG	1	0.879	0.948	38.981	-28.321	-28.321	0.000	0.000	0.000	0.000
70	A	80	TYR	0	-0.016	-0.021	36.229	0.327	0.327	0.000	0.000	0.000	0.000
71	A	81	LYS	1	0.860	0.948	34.905	-28.279	-28.279	0.000	0.000	0.000	0.000
72	A	82	GLY	0	0.050	0.020	32.087	0.292	0.292	0.000	0.000	0.000	0.000
73	A	83	ARG	1	0.851	0.928	32.554	-31.516	-31.516	0.000	0.000	0.000	0.000
74	A	84	CYS	0	-0.031	-0.004	31.408	0.879	0.879	0.000	0.000	0.000	0.000
75	A	85	TYR	0	0.005	-0.019	29.691	-0.596	-0.596	0.000	0.000	0.000	0.000
76	A	86	ASP	-1	-0.875	-0.941	31.529	34.271	34.271	0.000	0.000	0.000	0.000
77	A	87	ILE	0	-0.042	-0.022	30.892	1.111	1.111	0.000	0.000	0.000	0.000
78	A	88	GLU	-1	-0.787	-0.857	27.784	39.777	39.777	0.000	0.000	0.000	0.000
79	A	89	PRO	0	0.014	-0.005	29.671	0.887	0.887	0.000	0.000	0.000	0.000
80	A	90	VAL	0	-0.036	-0.014	24.714	0.745	0.745	0.000	0.000	0.000	0.000
81	A	91	PRO	0	0.001	-0.001	26.960	-0.683	-0.683	0.000	0.000	0.000	0.000
82	A	92	GLY	0	-0.026	-0.021	27.242	1.349	1.349	0.000	0.000	0.000	0.000
83	A	93	GLU	-1	-0.958	-0.985	25.116	44.925	44.925	0.000	0.000	0.000	0.000
84	A	94	ASP	-1	-0.929	-0.938	28.785	35.583	35.583	0.000	0.000	0.000	0.000
85	A	95	ASN	0	-0.066	-0.045	30.076	-1.348	-1.348	0.000	0.000	0.000	0.000
86	A	96	GLN	0	0.022	-0.003	23.105	2.027	2.027	0.000	0.000	0.000	0.000
87	A	97	TYR	0	0.019	0.004	27.424	-0.941	-0.941	0.000	0.000	0.000	0.000
88	A	98	ILE	0	-0.027	-0.007	23.378	1.890	1.890	0.000	0.000	0.000	0.000
89	A	99	ALA	0	-0.012	-0.006	26.548	-1.566	-1.566	0.000	0.000	0.000	0.000
90	A	100	TYR	0	-0.003	0.001	26.393	2.380	2.380	0.000	0.000	0.000	0.000
91	A	101	VAL	0	-0.006	-0.006	27.625	-1.600	-1.600	0.000	0.000	0.000	0.000
92	A	102	ALA	0	0.001	0.010	28.157	1.229	1.229	0.000	0.000	0.000	0.000
93	A	103	TYR	0	-0.023	-0.031	26.115	-0.606	-0.606	0.000	0.000	0.000	0.000
94	A	104	HYP	0	0.016	0.016	30.339	0.262	0.262	0.000	0.000	0.000	0.000
95	A	105	ILE	0	0.065	0.022	29.590	0.616	0.616	0.000	0.000	0.000	0.000
96	A	106	ASP	-1	-0.906	-0.962	30.948	32.408	32.408	0.000	0.000	0.000	0.000
97	A	107	LEU	0	-0.068	-0.041	30.255	-0.368	-0.368	0.000	0.000	0.000	0.000
98	A	108	PHE	0	-0.038	-0.015	25.589	0.654	0.654	0.000	0.000	0.000	0.000
99	A	109	GLU	-1	-0.816	-0.887	27.065	38.175	38.175	0.000	0.000	0.000	0.000
100	A	110	GLU	-1	-0.771	-0.876	26.724	37.336	37.336	0.000	0.000	0.000	0.000
101	A	111	GLY	0	0.024	0.019	24.538	-0.055	-0.055	0.000	0.000	0.000	0.000
102	A	112	SER	0	-0.001	0.005	22.948	2.444	2.444	0.000	0.000	0.000	0.000
103	A	113	VAL	0	0.033	0.015	16.761	-0.810	-0.810	0.000	0.000	0.000	0.000
104	A	114	THR	0	-0.001	-0.002	20.044	0.960	0.960	0.000	0.000	0.000	0.000
105	A	115	ASN	0	0.013	0.016	20.882	-0.904	-0.904	0.000	0.000	0.000	0.000
106	A	116	MET	0	-0.009	0.008	19.458	-1.209	-1.209	0.000	0.000	0.000	0.000
107	A	117	PHE	0	-0.003	-0.023	15.010	-0.067	-0.067	0.000	0.000	0.000	0.000
108	A	118	THR	0	-0.005	0.036	20.647	0.640	0.640	0.000	0.000	0.000	0.000
109	A	119	SER	0	0.021	0.016	23.415	-1.379	-1.379	0.000	0.000	0.000	0.000
110	A	120	ILE	0	-0.032	-0.009	21.888	-0.518	-0.518	0.000	0.000	0.000	0.000
111	A	121	VAL	0	-0.025	-0.026	18.461	-0.063	-0.063	0.000	0.000	0.000	0.000
112	A	122	GLY	0	0.022	0.037	21.623	1.001	1.001	0.000	0.000	0.000	0.000
113	A	123	ASN	0	0.076	0.018	23.870	1.465	1.465	0.000	0.000	0.000	0.000
114	A	124	VAL	0	0.036	0.025	24.492	0.172	0.172	0.000	0.000	0.000	0.000
115	A	125	PHE	0	0.005	0.005	19.635	-0.863	-0.863	0.000	0.000	0.000	0.000
116	A	126	GLY	0	0.019	-0.002	23.998	0.726	0.726	0.000	0.000	0.000	0.000
117	A	127	PHE	0	-0.009	-0.002	26.279	-1.306	-1.306	0.000	0.000	0.000	0.000
118	A	128	LYS	1	0.809	0.893	29.336	-32.542	-32.542	0.000	0.000	0.000	0.000
119	A	129	ALA	0	-0.023	-0.004	31.874	0.035	0.035	0.000	0.000	0.000	0.000
120	A	130	LEU	0	-0.024	-0.021	26.294	-0.294	-0.294	0.000	0.000	0.000	0.000
121	A	131	ARG	1	0.914	0.957	27.031	-38.033	-38.033	0.000	0.000	0.000	0.000
122	A	132	ALA	0	-0.037	-0.017	22.438	1.287	1.287	0.000	0.000	0.000	0.000
123	A	133	LEU	0	-0.006	-0.002	22.318	-1.752	-1.752	0.000	0.000	0.000	0.000
124	A	134	ARG	1	0.901	0.941	13.238	-65.779	-65.779	0.000	0.000	0.000	0.000
125	A	135	LEU	0	-0.023	0.019	18.231	-2.065	-2.065	0.000	0.000	0.000	0.000
126	A	136	GLU	-1	-0.809	-0.893	17.236	64.553	64.553	0.000	0.000	0.000	0.000
127	A	137	ASP	-1	-0.793	-0.914	17.347	58.429	58.429	0.000	0.000	0.000	0.000
128	A	138	LEU	0	0.006	-0.006	18.875	-2.075	-2.075	0.000	0.000	0.000	0.000
129	A	139	ARG	1	0.869	0.967	21.141	-38.689	-38.689	0.000	0.000	0.000	0.000
130	A	140	ILE	0	0.009	-0.023	20.497	-1.763	-1.763	0.000	0.000	0.000	0.000
131	A	141	PRO	0	0.013	0.037	23.688	0.272	0.272	0.000	0.000	0.000	0.000
132	A	142	PRO	0	0.150	0.059	26.750	0.462	0.462	0.000	0.000	0.000	0.000
133	A	143	ALA	0	-0.033	-0.021	28.033	0.203	0.203	0.000	0.000	0.000	0.000
134	A	144	TYR	0	0.001	-0.017	23.451	0.195	0.195	0.000	0.000	0.000	0.000
135	A	145	VAL	0	0.041	0.034	22.949	0.553	0.553	0.000	0.000	0.000	0.000
136	A	146	LYS	1	0.928	0.948	25.014	-38.692	-38.692	0.000	0.000	0.000	0.000
137	A	147	THR	0	-0.114	-0.058	26.561	-0.476	-0.476	0.000	0.000	0.000	0.000
138	A	148	PHE	0	0.007	0.001	21.319	0.343	0.343	0.000	0.000	0.000	0.000
139	A	149	VAL	0	-0.024	-0.005	22.761	-0.680	-0.680	0.000	0.000	0.000	0.000
140	A	150	GLY	0	0.015	0.012	19.874	-0.280	-0.280	0.000	0.000	0.000	0.000
141	A	151	HYP	0	-0.044	-0.038	16.728	1.580	1.580	0.000	0.000	0.000	0.000
142	A	152	PRO	0	-0.033	0.011	17.546	-2.986	-2.986	0.000	0.000	0.000	0.000
143	A	153	HIS	0	-0.043	-0.033	19.109	-5.399	-5.399	0.000	0.000	0.000	0.000
144	A	154	GLY	0	0.034	0.019	17.786	-2.252	-2.252	0.000	0.000	0.000	0.000
145	A	155	ILE	0	-0.026	-0.016	15.525	-0.752	-0.752	0.000	0.000	0.000	0.000
146	A	156	GLN	0	0.011	0.008	18.117	1.606	1.606	0.000	0.000	0.000	0.000
147	A	157	VAL	0	0.056	0.031	21.820	-0.760	-0.760	0.000	0.000	0.000	0.000
148	A	158	GLU	-1	-0.789	-0.875	15.409	73.566	73.566	0.000	0.000	0.000	0.000
149	A	159	ARG	1	0.811	0.883	17.524	-62.993	-62.993	0.000	0.000	0.000	0.000
150	A	160	ASP	-1	-0.835	-0.916	20.896	45.806	45.806	0.000	0.000	0.000	0.000
151	A	161	LYS	1	0.819	0.926	21.699	-49.925	-49.925	0.000	0.000	0.000	0.000
152	A	162	LEU	0	-0.047	-0.039	16.946	-0.951	-0.951	0.000	0.000	0.000	0.000
153	A	163	ASN	0	-0.021	-0.003	21.364	-0.771	-0.771	0.000	0.000	0.000	0.000
154	A	164	LYS	1	0.819	0.926	17.469	-61.027	-61.027	0.000	0.000	0.000	0.000
155	A	165	TYR	0	-0.020	-0.025	21.430	1.167	1.167	0.000	0.000	0.000	0.000
156	A	166	GLY	0	0.022	0.022	22.401	-0.198	-0.198	0.000	0.000	0.000	0.000
157	A	167	ARG	1	0.802	0.902	15.718	-66.153	-66.153	0.000	0.000	0.000	0.000
158	A	168	GLY	0	0.047	0.050	15.028	0.548	0.548	0.000	0.000	0.000	0.000
159	A	169	LEU	0	-0.035	-0.019	13.480	-2.459	-2.459	0.000	0.000	0.000	0.000
160	A	170	LEU	0	0.003	0.009	10.194	6.738	6.738	0.000	0.000	0.000	0.000
161	A	171	GLY	0	0.073	0.009	8.648	-5.648	-5.648	0.000	0.000	0.000	0.000
162	A	172	CYS	0	-0.043	-0.017	5.524	3.331	3.331	0.000	0.000	0.000	0.000
166	A	176	PRO	0	0.064	0.051	6.977	-9.076	-9.076	0.000	0.000	0.000	0.000
168	A	178	LEU	0	-0.028	-0.012	7.394	-6.379	-6.379	0.000	0.000	0.000	0.000
169	A	179	GLY	0	0.064	0.023	10.979	0.474	0.474	0.000	0.000	0.000	0.000
170	A	180	LEU	0	-0.041	-0.008	11.257	-5.864	-5.864	0.000	0.000	0.000	0.000
171	A	181	SER	0	0.063	0.028	14.401	-0.254	-0.254	0.000	0.000	0.000	0.000
172	A	182	ALA	0	0.099	0.037	16.061	2.437	2.437	0.000	0.000	0.000	0.000
173	A	183	LYS	1	0.957	0.987	16.910	-46.923	-46.923	0.000	0.000	0.000	0.000
174	A	184	ASN	0	-0.013	-0.022	15.857	-1.497	-1.497	0.000	0.000	0.000	0.000
175	A	185	TYR	0	0.074	0.047	8.199	1.864	1.864	0.000	0.000	0.000	0.000
176	A	186	GLY	0	0.057	0.025	13.590	2.528	2.528	0.000	0.000	0.000	0.000
177	A	187	ARG	1	0.905	0.954	16.054	-55.186	-55.186	0.000	0.000	0.000	0.000
178	A	188	ALA	0	0.008	-0.003	11.546	-0.294	-0.294	0.000	0.000	0.000	0.000
179	A	189	VAL	0	0.037	0.014	11.283	2.223	2.223	0.000	0.000	0.000	0.000
180	A	190	TYR	0	-0.056	-0.056	13.267	-0.142	-0.142	0.000	0.000	0.000	0.000
181	A	191	GLU	-1	-0.908	-0.959	14.668	57.719	57.719	0.000	0.000	0.000	0.000
182	A	192	CYS	0	-0.050	-0.028	9.638	-0.772	-0.772	0.000	0.000	0.000	0.000
183	A	193	LEU	0	0.011	0.005	13.002	-0.663	-0.663	0.000	0.000	0.000	0.000
184	A	194	ARG	1	0.771	0.881	15.093	-56.525	-56.525	0.000	0.000	0.000	0.000
185	A	195	GLY	0	-0.027	-0.016	15.712	-2.505	-2.505	0.000	0.000	0.000	0.000
186	A	196	GLY	0	-0.002	0.006	15.979	-0.981	-0.981	0.000	0.000	0.000	0.000
187	A	197	LEU	0	-0.025	-0.001	9.484	-0.058	-0.058	0.000	0.000	0.000	0.000
188	A	198	ASP	-1	-0.772	-0.872	13.041	67.353	67.353	0.000	0.000	0.000	0.000
189	A	199	PHE	0	0.018	-0.003	10.521	-3.417	-3.417	0.000	0.000	0.000	0.000
190	A	200	THR	0	-0.010	0.003	8.522	3.228	3.228	0.000	0.000	0.000	0.000
192	A	202	ASP	-1	-0.694	-0.824	6.894	85.017	85.017	0.000	0.000	0.000	0.000
196	A	205	ASN	0	0.007	0.002	5.562	-3.448	-3.448	0.000	0.000	0.000	0.000
197	A	206	VAL	0	-0.047	-0.004	8.225	-8.997	-8.997	0.000	0.000	0.000	0.000
198	A	207	ASN	0	-0.047	-0.020	10.162	-2.435	-2.435	0.000	0.000	0.000	0.000
199	A	208	SER	0	0.024	0.011	12.987	-1.992	-1.992	0.000	0.000	0.000	0.000
200	A	209	GLN	0	0.015	0.007	12.354	-1.786	-1.786	0.000	0.000	0.000	0.000
201	A	210	PRO	0	-0.005	-0.006	17.410	-1.055	-1.055	0.000	0.000	0.000	0.000
202	A	211	PHE	0	-0.022	0.004	12.820	-1.480	-1.480	0.000	0.000	0.000	0.000
203	A	212	MET	0	-0.076	-0.022	12.163	-0.825	-0.825	0.000	0.000	0.000	0.000
204	A	213	ARG	1	0.833	0.914	16.711	-50.012	-50.012	0.000	0.000	0.000	0.000
205	A	214	TRP	0	0.053	0.003	16.625	0.178	0.178	0.000	0.000	0.000	0.000
206	A	215	ARG	1	0.985	0.995	17.626	-44.072	-44.072	0.000	0.000	0.000	0.000
207	A	216	ASP	-1	-0.892	-0.942	19.932	48.655	48.655	0.000	0.000	0.000	0.000
208	A	217	ARG	1	0.778	0.848	12.347	-74.576	-74.576	0.000	0.000	0.000	0.000
209	A	218	PHE	0	-0.009	-0.011	14.835	0.649	0.649	0.000	0.000	0.000	0.000
210	A	219	LEU	0	0.023	0.011	17.785	-0.415	-0.415	0.000	0.000	0.000	0.000
211	A	220	PHE	0	0.008	-0.004	18.265	-0.712	-0.712	0.000	0.000	0.000	0.000
212	A	221	VAL	0	-0.009	-0.013	13.591	0.553	0.553	0.000	0.000	0.000	0.000
213	A	222	ALA	0	0.015	0.019	16.536	0.507	0.507	0.000	0.000	0.000	0.000
214	A	223	GLU	-1	-0.952	-0.968	19.309	46.373	46.373	0.000	0.000	0.000	0.000
215	A	224	ALA	0	-0.054	-0.030	16.679	-0.843	-0.843	0.000	0.000	0.000	0.000
216	A	225	ILE	0	-0.012	-0.013	15.492	0.159	0.159	0.000	0.000	0.000	0.000
217	A	226	TYR	0	-0.013	-0.010	18.191	-0.606	-0.606	0.000	0.000	0.000	0.000
218	A	227	LYS	1	0.914	0.976	21.362	-48.072	-48.072	0.000	0.000	0.000	0.000
219	A	228	ALA	0	0.031	0.001	18.446	-1.194	-1.194	0.000	0.000	0.000	0.000
220	A	229	GLN	0	0.029	0.034	20.344	1.666	1.666	0.000	0.000	0.000	0.000
221	A	230	ALA	0	-0.017	0.000	21.884	-1.349	-1.349	0.000	0.000	0.000	0.000
222	A	231	GLU	-1	-0.864	-0.919	22.270	49.216	49.216	0.000	0.000	0.000	0.000
223	A	232	THR	0	-0.023	-0.030	19.655	-0.719	-0.719	0.000	0.000	0.000	0.000
224	A	233	GLY	0	0.005	0.012	23.055	-0.956	-0.956	0.000	0.000	0.000	0.000
225	A	234	GLU	-1	-0.774	-0.867	19.678	56.576	56.576	0.000	0.000	0.000	0.000
226	A	235	VAL	0	0.010	0.001	19.429	0.670	0.670	0.000	0.000	0.000	0.000
227	A	236	LYS	1	0.840	0.939	16.693	-61.251	-61.251	0.000	0.000	0.000	0.000
228	A	237	GLY	0	0.039	0.012	15.125	-2.504	-2.504	0.000	0.000	0.000	0.000
229	A	238	HIS	1	0.776	0.846	9.711	-82.085	-82.085	0.000	0.000	0.000	0.000
230	A	239	TYR	0	-0.003	-0.006	7.381	-7.692	-7.692	0.000	0.000	0.000	0.000
231	A	240	LEU	0	-0.025	-0.008	10.145	4.324	4.324	0.000	0.000	0.000	0.000
232	A	241	ASN	0	0.011	-0.006	8.520	-5.055	-5.055	0.000	0.000	0.000	0.000
233	A	242	ALA	0	0.001	0.002	11.342	-4.329	-4.329	0.000	0.000	0.000	0.000
234	A	243	THR	0	0.007	0.013	9.937	-4.846	-4.846	0.000	0.000	0.000	0.000
235	A	244	ALA	0	0.007	-0.004	13.103	-0.822	-0.822	0.000	0.000	0.000	0.000
236	A	245	GLY	0	0.021	0.023	16.148	0.782	0.782	0.000	0.000	0.000	0.000
237	A	246	THR	0	0.033	0.023	18.865	-0.110	-0.110	0.000	0.000	0.000	0.000
238	B	247	CYS	0	0.086	0.002	20.283	1.203	1.203	0.000	0.000	0.000	0.000
239	A	248	GLU	-1	-0.828	-0.897	21.614	44.721	44.721	0.000	0.000	0.000	0.000
240	A	249	GLU	-1	-0.865	-0.944	19.719	49.485	49.485	0.000	0.000	0.000	0.000
241	A	250	MET	0	-0.039	0.004	16.319	1.268	1.268	0.000	0.000	0.000	0.000
242	A	251	MET	0	-0.005	-0.011	18.559	1.105	1.105	0.000	0.000	0.000	0.000
243	A	252	LYS	1	0.879	0.949	21.295	-45.767	-45.767	0.000	0.000	0.000	0.000
244	A	253	ARG	1	0.766	0.864	15.570	-59.925	-59.925	0.000	0.000	0.000	0.000
245	A	254	ALA	0	0.057	0.032	18.273	0.564	0.564	0.000	0.000	0.000	0.000
246	A	255	VAL	0	0.003	0.008	19.116	-0.395	-0.395	0.000	0.000	0.000	0.000
247	A	256	SMC	0	-0.068	-0.007	20.689	-0.438	-0.438	0.000	0.000	0.000	0.000
248	A	257	ALA	0	0.045	0.006	17.756	-0.441	-0.441	0.000	0.000	0.000	0.000
249	A	258	LYS	1	0.943	0.964	19.744	-42.927	-42.927	0.000	0.000	0.000	0.000
250	A	259	GLU	-1	-0.999	-1.002	22.428	40.671	40.671	0.000	0.000	0.000	0.000
251	A	260	LEU	0	-0.082	-0.034	20.390	-1.099	-1.099	0.000	0.000	0.000	0.000
252	A	261	GLY	0	0.015	0.008	23.243	-0.039	-0.039	0.000	0.000	0.000	0.000
253	A	262	VAL	0	-0.053	-0.028	17.679	0.791	0.791	0.000	0.000	0.000	0.000
254	A	263	PRO	0	0.029	0.013	16.943	-0.230	-0.230	0.000	0.000	0.000	0.000
255	A	264	ILE	0	-0.016	-0.011	12.638	0.370	0.370	0.000	0.000	0.000	0.000
256	A	265	ILE	0	0.001	0.010	13.206	0.561	0.561	0.000	0.000	0.000	0.000
257	A	266	MET	0	-0.044	-0.006	5.363	2.255	2.255	0.000	0.000	0.000	0.000
258	A	267	HIS	0	-0.027	-0.023	9.981	-6.052	-6.052	0.000	0.000	0.000	0.000
259	A	268	ASP	-1	-0.761	-0.896	7.738	111.041	111.041	0.000	0.000	0.000	0.000
260	A	269	TYR	0	-0.071	-0.053	7.488	-2.780	-2.780	0.000	0.000	0.000	0.000
261	A	270	LEU	0	-0.031	0.000	7.769	-5.712	-5.712	0.000	0.000	0.000	0.000
262	A	271	THR	0	-0.024	-0.031	10.039	-3.895	-3.895	0.000	0.000	0.000	0.000
263	A	272	GLY	0	0.018	0.013	12.257	-4.861	-4.861	0.000	0.000	0.000	0.000
264	A	273	GLY	0	0.003	-0.005	13.686	-5.035	-5.035	0.000	0.000	0.000	0.000
265	A	274	PHE	0	0.062	0.005	13.574	0.606	0.606	0.000	0.000	0.000	0.000
266	A	275	THR	0	0.009	0.034	16.654	-0.483	-0.483	0.000	0.000	0.000	0.000
267	A	276	ALA	0	0.030	-0.007	17.384	-1.454	-1.454	0.000	0.000	0.000	0.000
268	A	277	ASN	0	0.021	0.011	13.852	3.267	3.267	0.000	0.000	0.000	0.000
269	A	278	THR	0	0.008	0.004	16.510	0.129	0.129	0.000	0.000	0.000	0.000
270	A	279	SER	0	-0.009	-0.018	19.269	-1.413	-1.413	0.000	0.000	0.000	0.000
271	A	280	LEU	0	-0.003	0.005	14.949	-1.476	-1.476	0.000	0.000	0.000	0.000
272	A	281	ALA	0	0.020	0.011	17.550	-0.431	-0.431	0.000	0.000	0.000	0.000
273	A	282	ILE	0	0.022	0.006	19.092	-1.171	-1.171	0.000	0.000	0.000	0.000
274	A	283	TYR	0	0.047	0.026	20.516	-1.275	-1.275	0.000	0.000	0.000	0.000
275	A	284	CYS	0	-0.047	-0.021	17.950	-0.268	-0.268	0.000	0.000	0.000	0.000
276	A	285	ARG	1	0.836	0.896	20.586	-49.112	-49.112	0.000	0.000	0.000	0.000
277	A	286	ASP	-1	-0.934	-0.959	23.243	41.508	41.508	0.000	0.000	0.000	0.000
278	A	287	ASN	0	-0.136	-0.081	23.230	-2.937	-2.937	0.000	0.000	0.000	0.000
279	A	288	GLY	0	-0.034	0.008	23.140	-0.112	-0.112	0.000	0.000	0.000	0.000
280	A	289	LEU	0	-0.023	-0.017	18.003	0.626	0.626	0.000	0.000	0.000	0.000
281	A	290	LEU	0	-0.049	-0.021	15.758	0.145	0.145	0.000	0.000	0.000	0.000
282	A	291	LEU	0	0.023	0.000	13.186	1.262	1.262	0.000	0.000	0.000	0.000
283	A	292	HIS	0	-0.018	-0.023	5.511	-6.840	-6.840	0.000	0.000	0.000	0.000
284	A	293	ILE	0	0.020	0.007	8.323	0.036	0.036	0.000	0.000	0.000	0.000
288	A	297	MET	0	-0.019	-0.013	5.803	-12.654	-12.654	0.000	0.000	0.000	0.000
290	A	299	ALA	0	0.013	0.031	6.366	-9.409	-9.409	0.000	0.000	0.000	0.000
291	A	300	VAL	0	-0.048	-0.018	8.133	-8.325	-8.325	0.000	0.000	0.000	0.000
292	A	301	ILE	0	-0.011	-0.009	10.595	-7.013	-7.013	0.000	0.000	0.000	0.000
293	A	302	ASP	-1	-0.799	-0.891	8.129	108.339	108.339	0.000	0.000	0.000	0.000
294	A	303	ARG	1	0.850	0.946	8.975	-95.454	-95.454	0.000	0.000	0.000	0.000
295	A	304	GLN	0	-0.041	-0.015	10.958	-4.073	-4.073	0.000	0.000	0.000	0.000
296	A	305	ARG	1	0.949	0.970	14.747	-53.021	-53.021	0.000	0.000	0.000	0.000
297	A	306	ASN	0	-0.002	-0.021	16.931	0.459	0.459	0.000	0.000	0.000	0.000
298	A	307	HIS	0	-0.001	-0.011	18.094	-3.353	-3.353	0.000	0.000	0.000	0.000
299	A	308	GLY	0	0.061	0.045	15.820	3.195	3.195	0.000	0.000	0.000	0.000
300	A	309	ILE	0	-0.019	-0.013	14.220	-3.940	-3.940	0.000	0.000	0.000	0.000
301	A	310	HIS	0	0.036	0.023	12.453	4.527	4.527	0.000	0.000	0.000	0.000
302	A	311	PHE	0	0.075	0.019	6.774	1.411	1.411	0.000	0.000	0.000	0.000
303	A	312	ARG	1	0.905	0.944	10.587	-64.453	-64.453	0.000	0.000	0.000	0.000
304	A	313	VAL	0	-0.021	0.004	13.075	-1.988	-1.988	0.000	0.000	0.000	0.000
305	A	314	LEU	0	-0.015	-0.010	9.697	-2.094	-2.094	0.000	0.000	0.000	0.000
306	A	315	ALA	0	0.023	0.035	10.402	1.583	1.583	0.000	0.000	0.000	0.000
307	A	316	LYS	1	0.815	0.881	11.656	-58.013	-58.013	0.000	0.000	0.000	0.000
308	A	317	ALA	0	0.014	0.006	13.915	-2.226	-2.226	0.000	0.000	0.000	0.000
309	A	318	LEU	0	0.006	0.006	10.383	-2.479	-2.479	0.000	0.000	0.000	0.000
310	A	319	ARG	1	0.770	0.903	13.306	-60.885	-60.885	0.000	0.000	0.000	0.000
311	A	320	MET	0	-0.003	0.001	15.529	-2.404	-2.404	0.000	0.000	0.000	0.000
312	A	321	SER	0	-0.079	-0.030	15.494	-1.166	-1.166	0.000	0.000	0.000	0.000
313	A	322	GLY	0	0.049	0.013	16.005	-2.679	-2.679	0.000	0.000	0.000	0.000
314	A	323	GLY	0	0.034	-0.015	13.327	2.977	2.977	0.000	0.000	0.000	0.000
315	A	324	ASP	-1	-0.727	-0.852	14.289	61.798	61.798	0.000	0.000	0.000	0.000
316	A	325	HIS	1	0.717	0.858	9.482	-88.528	-88.528	0.000	0.000	0.000	0.000
317	A	326	LEU	0	0.041	0.018	7.015	-0.954	-0.954	0.000	0.000	0.000	0.000
322	A	331	VAL	0	0.022	0.043	7.121	-12.733	-12.733	0.000	0.000	0.000	0.000
323	A	332	VAL	0	-0.012	-0.016	9.220	-3.319	-3.319	0.000	0.000	0.000	0.000
324	A	333	GLY	0	0.005	0.014	7.127	-4.343	-4.343	0.000	0.000	0.000	0.000
328	A	337	GLY	0	0.059	0.022	5.910	14.359	14.359	0.000	0.000	0.000	0.000
329	A	338	GLU	-1	-0.850	-0.921	8.200	66.709	66.709	0.000	0.000	0.000	0.000
330	A	339	ARG	1	0.905	0.931	11.642	-64.099	-64.099	0.000	0.000	0.000	0.000
331	A	340	GLU	-1	-0.891	-0.949	13.489	60.624	60.624	0.000	0.000	0.000	0.000
332	A	341	VAL	0	-0.002	-0.010	11.503	-0.709	-0.709	0.000	0.000	0.000	0.000
333	A	342	THR	0	-0.049	-0.022	9.538	3.962	3.962	0.000	0.000	0.000	0.000
334	A	343	LEU	0	-0.015	-0.011	11.424	0.811	0.811	0.000	0.000	0.000	0.000
335	A	344	GLY	0	0.033	0.035	14.562	-2.318	-2.318	0.000	0.000	0.000	0.000
336	A	345	PHE	0	-0.018	-0.029	7.770	-2.257	-2.257	0.000	0.000	0.000	0.000
337	A	346	VAL	0	0.012	-0.001	10.719	1.693	1.693	0.000	0.000	0.000	0.000
338	A	347	ASP	-1	-0.848	-0.910	13.044	59.600	59.600	0.000	0.000	0.000	0.000
339	A	348	LEU	0	-0.106	-0.046	15.270	-2.199	-2.199	0.000	0.000	0.000	0.000
340	A	349	MET	0	-0.083	-0.010	9.461	1.303	1.303	0.000	0.000	0.000	0.000
341	A	350	ARG	1	0.853	0.917	14.068	-72.396	-72.396	0.000	0.000	0.000	0.000
342	A	351	ASP	-1	-0.867	-0.918	16.652	54.872	54.872	0.000	0.000	0.000	0.000
343	A	352	ASP	-1	-0.897	-0.961	20.111	45.687	45.687	0.000	0.000	0.000	0.000
344	A	353	TYR	0	-0.005	-0.009	23.231	-1.125	-1.125	0.000	0.000	0.000	0.000
345	A	354	VAL	0	0.012	0.020	19.576	0.562	0.562	0.000	0.000	0.000	0.000
346	A	355	GLU	-1	-0.907	-0.966	22.906	39.559	39.559	0.000	0.000	0.000	0.000
347	A	356	LYS	1	0.907	0.951	23.490	-38.691	-38.691	0.000	0.000	0.000	0.000
348	A	357	ASP	-1	-0.792	-0.897	21.952	48.527	48.527	0.000	0.000	0.000	0.000
349	A	358	ARG	1	0.837	0.888	21.474	-42.854	-42.854	0.000	0.000	0.000	0.000
350	A	359	SER	0	-0.086	-0.030	21.527	1.598	1.598	0.000	0.000	0.000	0.000
351	A	360	ARG	1	0.996	0.998	17.939	-55.894	-55.894	0.000	0.000	0.000	0.000
352	A	361	GLY	0	-0.060	-0.032	17.056	3.311	3.311	0.000	0.000	0.000	0.000
353	A	362	ILE	0	-0.019	0.008	18.178	0.951	0.951	0.000	0.000	0.000	0.000
354	A	363	TYR	0	-0.049	-0.038	19.194	-3.099	-3.099	0.000	0.000	0.000	0.000
355	A	364	PHE	0	-0.024	-0.020	22.314	-2.681	-2.681	0.000	0.000	0.000	0.000
356	A	365	THR	0	0.029	0.024	23.030	1.798	1.798	0.000	0.000	0.000	0.000
357	A	366	GLN	0	-0.039	-0.009	20.279	0.011	0.011	0.000	0.000	0.000	0.000
358	A	367	ASP	-1	-0.829	-0.913	23.519	42.082	42.082	0.000	0.000	0.000	0.000
359	A	368	TRP	0	-0.050	-0.037	17.682	0.080	0.080	0.000	0.000	0.000	0.000
360	A	369	SMC	0	-0.053	-0.019	23.585	-0.486	-0.486	0.000	0.000	0.000	0.000
361	A	370	SER	0	-0.008	-0.019	25.636	-1.518	-1.518	0.000	0.000	0.000	0.000
362	A	371	MET	0	-0.076	-0.001	20.289	1.103	1.103	0.000	0.000	0.000	0.000
363	A	372	PRO	0	0.028	0.022	20.000	1.003	1.003	0.000	0.000	0.000	0.000
364	A	373	GLY	0	0.054	0.031	17.778	0.929	0.929	0.000	0.000	0.000	0.000
365	A	374	VAL	0	-0.023	-0.021	11.684	-0.003	-0.003	0.000	0.000	0.000	0.000
366	A	375	MET	0	0.001	-0.004	11.683	-0.556	-0.556	0.000	0.000	0.000	0.000
367	A	376	PRO	0	0.004	-0.001	8.890	5.996	5.996	0.000	0.000	0.000	0.000
368	A	377	VAL	0	-0.038	-0.018	5.382	-4.047	-4.047	0.000	0.000	0.000	0.000
375	A	384	VAL	0	0.059	0.018	8.239	-4.695	-4.695	0.000	0.000	0.000	0.000
376	A	385	TRP	0	-0.087	-0.037	11.579	-6.979	-6.979	0.000	0.000	0.000	0.000
377	A	386	HIS	0	0.047	0.019	9.364	-0.560	-0.560	0.000	0.000	0.000	0.000
378	A	387	MET	0	-0.033	0.014	10.853	0.466	0.466	0.000	0.000	0.000	0.000
379	A	388	PRO	0	0.041	0.010	13.053	-0.644	-0.644	0.000	0.000	0.000	0.000
380	A	389	ALA	0	0.025	0.017	14.306	-1.694	-1.694	0.000	0.000	0.000	0.000
381	A	390	LEU	0	-0.015	-0.004	9.282	0.714	0.714	0.000	0.000	0.000	0.000
382	A	391	VAL	0	-0.014	-0.025	13.389	-0.810	-0.810	0.000	0.000	0.000	0.000
383	A	392	GLU	-1	-0.927	-0.952	16.157	60.804	60.804	0.000	0.000	0.000	0.000
384	A	393	ILE	0	-0.029	-0.004	12.252	-1.678	-1.678	0.000	0.000	0.000	0.000
385	A	394	PHE	0	-0.034	-0.018	8.669	-0.208	-0.208	0.000	0.000	0.000	0.000
386	A	395	GLY	0	0.041	0.027	13.988	-2.711	-2.711	0.000	0.000	0.000	0.000
387	A	396	ASP	-1	-0.830	-0.924	15.739	62.850	62.850	0.000	0.000	0.000	0.000
388	A	397	ASP	-1	-0.868	-0.921	15.926	63.699	63.699	0.000	0.000	0.000	0.000
389	A	398	ALA	0	0.033	0.007	10.855	2.530	2.530	0.000	0.000	0.000	0.000
390	A	399	CYS	0	-0.057	-0.009	9.724	-2.799	-2.799	0.000	0.000	0.000	0.000
391	A	400	LEU	0	0.016	0.006	8.678	9.987	9.987	0.000	0.000	0.000	0.000
397	A	406	THR	0	-0.059	-0.034	5.839	-21.220	-21.220	0.000	0.000	0.000	0.000
398	A	407	LEU	0	-0.025	-0.027	6.361	-13.753	-13.753	0.000	0.000	0.000	0.000
399	A	408	GLY	0	0.046	0.016	7.186	-7.352	-7.352	0.000	0.000	0.000	0.000
400	A	409	HIS	0	-0.031	0.006	8.371	-6.982	-6.982	0.000	0.000	0.000	0.000
401	A	410	PRO	0	0.023	0.001	11.360	-2.022	-2.022	0.000	0.000	0.000	0.000
402	A	411	TRP	0	-0.077	-0.066	14.615	-4.093	-4.093	0.000	0.000	0.000	0.000
403	A	412	GLY	0	0.040	0.037	13.432	-3.143	-3.143	0.000	0.000	0.000	0.000
404	A	413	ASN	0	0.031	0.011	11.093	3.451	3.451	0.000	0.000	0.000	0.000
405	A	414	ALA	0	0.048	0.043	12.616	1.773	1.773	0.000	0.000	0.000	0.000
406	A	415	PRO	0	0.003	-0.014	15.473	0.115	0.115	0.000	0.000	0.000	0.000
407	A	416	GLY	0	0.053	0.019	11.504	0.164	0.164	0.000	0.000	0.000	0.000
408	A	417	ALA	0	-0.036	-0.007	11.479	3.417	3.417	0.000	0.000	0.000	0.000
409	A	418	ALA	0	0.020	0.016	12.447	0.072	0.072	0.000	0.000	0.000	0.000
410	A	419	ALA	0	-0.050	-0.018	12.960	-1.550	-1.550	0.000	0.000	0.000	0.000
411	A	420	ASN	0	-0.003	-0.012	8.674	-1.560	-1.560	0.000	0.000	0.000	0.000
412	A	421	ARG	1	0.770	0.877	12.084	-62.645	-62.645	0.000	0.000	0.000	0.000
413	A	422	VAL	0	0.026	0.012	14.764	-2.385	-2.385	0.000	0.000	0.000	0.000
414	A	423	ALA	0	-0.037	-0.014	13.645	-2.056	-2.056	0.000	0.000	0.000	0.000
415	A	424	LEU	0	0.037	0.004	13.578	-1.450	-1.450	0.000	0.000	0.000	0.000
416	A	425	GLU	-1	-0.775	-0.897	15.485	53.521	53.521	0.000	0.000	0.000	0.000
417	A	426	ALA	0	0.021	0.006	18.885	-2.668	-2.668	0.000	0.000	0.000	0.000
418	A	427	CYS	0	-0.066	-0.031	17.180	-1.605	-1.605	0.000	0.000	0.000	0.000
419	A	428	THR	0	0.020	0.018	18.471	-1.047	-1.047	0.000	0.000	0.000	0.000
420	A	429	GLN	0	-0.006	0.000	20.831	-1.269	-1.269	0.000	0.000	0.000	0.000
421	A	430	ALA	0	-0.006	-0.007	22.542	-1.635	-1.635	0.000	0.000	0.000	0.000
422	A	431	ARG	1	0.849	0.917	19.813	-57.732	-57.732	0.000	0.000	0.000	0.000
423	A	432	ASN	0	-0.022	-0.026	24.081	-0.016	-0.016	0.000	0.000	0.000	0.000
424	A	433	GLU	-1	-0.970	-0.991	26.556	41.070	41.070	0.000	0.000	0.000	0.000
425	A	434	GLY	0	-0.016	0.003	27.908	-1.690	-1.690	0.000	0.000	0.000	0.000
426	A	435	ARG	1	0.850	0.939	25.725	-45.559	-45.559	0.000	0.000	0.000	0.000
427	A	436	ASP	-1	-0.842	-0.914	25.433	50.944	50.944	0.000	0.000	0.000	0.000
428	A	437	LEU	0	-0.017	-0.035	19.274	0.355	0.355	0.000	0.000	0.000	0.000
429	A	438	ALA	0	0.000	0.014	21.140	2.275	2.275	0.000	0.000	0.000	0.000
430	A	439	ARG	1	0.902	0.954	22.393	-44.391	-44.391	0.000	0.000	0.000	0.000
431	A	440	GLU	-1	-0.856	-0.934	24.320	44.551	44.551	0.000	0.000	0.000	0.000
432	A	441	GLY	0	0.066	0.037	20.305	0.469	0.469	0.000	0.000	0.000	0.000
433	A	442	GLY	0	-0.020	-0.032	19.838	0.846	0.846	0.000	0.000	0.000	0.000
434	A	443	ASP	-1	-0.913	-0.954	20.855	45.952	45.952	0.000	0.000	0.000	0.000
435	A	444	VAL	0	-0.019	0.005	20.748	-1.049	-1.049	0.000	0.000	0.000	0.000
436	A	445	ILE	0	0.020	0.012	15.909	-0.338	-0.338	0.000	0.000	0.000	0.000
437	A	446	ARG	1	0.988	0.973	19.304	-52.907	-52.907	0.000	0.000	0.000	0.000
438	A	447	SER	0	-0.061	-0.039	21.946	-1.825	-1.825	0.000	0.000	0.000	0.000
439	A	448	ALA	0	0.036	0.022	19.796	-1.488	-1.488	0.000	0.000	0.000	0.000
440	A	449	CYS	0	-0.113	-0.063	14.045	2.592	2.592	0.000	0.000	0.000	0.000
441	A	450	LYS	1	0.886	0.944	20.934	-43.742	-43.742	0.000	0.000	0.000	0.000
442	A	451	TRP	0	0.005	0.016	22.566	-2.583	-2.583	0.000	0.000	0.000	0.000
443	A	452	SER	0	0.008	0.011	20.137	-0.048	-0.048	0.000	0.000	0.000	0.000
444	A	453	PRO	0	0.044	0.004	20.699	1.697	1.697	0.000	0.000	0.000	0.000
445	A	454	GLU	-1	-0.831	-0.923	17.021	54.303	54.303	0.000	0.000	0.000	0.000
446	A	455	LEU	0	0.039	0.017	15.126	3.518	3.518	0.000	0.000	0.000	0.000
447	A	456	ALA	0	-0.007	0.001	16.635	2.319	2.319	0.000	0.000	0.000	0.000
448	A	457	ALA	0	-0.029	-0.017	17.275	0.769	0.769	0.000	0.000	0.000	0.000
449	A	458	ALA	0	0.010	0.009	12.675	2.038	2.038	0.000	0.000	0.000	0.000
450	A	460	GLU	-1	-0.958	-0.975	15.974	57.257	57.257	0.000	0.000	0.000	0.000
451	A	461	VAL	0	0.008	0.016	12.720	-0.173	-0.173	0.000	0.000	0.000	0.000
452	A	462	TRP	0	-0.019	-0.023	8.566	2.634	2.634	0.000	0.000	0.000	0.000
453	A	463	LYS	1	0.923	0.970	13.088	-54.150	-54.150	0.000	0.000	0.000	0.000
454	A	464	GLU	-1	-0.944	-0.982	16.156	58.384	58.384	0.000	0.000	0.000	0.000
455	A	465	ILE	0	-0.065	-0.007	9.728	0.646	0.646	0.000	0.000	0.000	0.000
456	A	466	LYS	1	0.955	0.971	12.191	-64.690	-64.690	0.000	0.000	0.000	0.000
457	A	467	PHE	0	0.009	0.008	7.164	1.952	1.952	0.000	0.000	0.000	0.000
458	A	468	GLU	-1	-0.893	-0.948	11.957	71.825	71.825	0.000	0.000	0.000	0.000
459	A	469	PHE	0	-0.017	-0.008	12.292	-2.568	-2.568	0.000	0.000	0.000	0.000
460	B	10	GLY	0	0.011	-0.013	24.659	-0.366	-0.366	0.000	0.000	0.000	0.000
461	B	11	ALA	0	-0.039	-0.016	20.449	0.046	0.046	0.000	0.000	0.000	0.000
462	B	12	GLY	0	0.074	0.047	19.731	-0.850	-0.850	0.000	0.000	0.000	0.000
463	B	13	PHE	0	-0.059	-0.026	11.548	0.517	0.517	0.000	0.000	0.000	0.000
464	B	14	LYS	1	0.927	0.964	15.233	-63.934	-63.934	0.000	0.000	0.000	0.000
465	B	15	ALA	0	0.023	0.015	12.376	2.654	2.654	0.000	0.000	0.000	0.000
466	B	16	GLY	0	0.070	0.029	11.348	-4.653	-4.653	0.000	0.000	0.000	0.000
467	B	17	VAL	0	-0.004	-0.005	9.260	2.681	2.681	0.000	0.000	0.000	0.000
468	B	18	LYS	1	0.878	0.949	11.440	-80.557	-80.557	0.000	0.000	0.000	0.000
469	B	19	ASP	-1	-0.851	-0.913	12.413	72.305	72.305	0.000	0.000	0.000	0.000
470	B	20	TYR	0	-0.041	-0.033	6.665	-3.033	-3.033	0.000	0.000	0.000	0.000
471	B	21	ARG	1	0.934	0.953	13.449	-58.737	-58.737	0.000	0.000	0.000	0.000
472	B	22	LEU	0	-0.058	-0.022	16.328	-2.892	-2.892	0.000	0.000	0.000	0.000
473	B	23	THR	0	-0.035	-0.018	14.137	-2.578	-2.578	0.000	0.000	0.000	0.000
474	B	24	TYR	0	0.005	-0.004	11.187	0.784	0.784	0.000	0.000	0.000	0.000
475	B	25	TYR	0	0.007	0.014	16.179	-0.342	-0.342	0.000	0.000	0.000	0.000
476	B	26	THR	0	-0.050	-0.037	19.443	-0.757	-0.757	0.000	0.000	0.000	0.000
477	B	27	PRO	0	0.018	0.007	22.405	-0.268	-0.268	0.000	0.000	0.000	0.000
478	B	28	ASP	-1	-0.888	-0.928	25.514	41.175	41.175	0.000	0.000	0.000	0.000
479	B	29	TYR	0	-0.160	-0.101	23.660	-0.784	-0.784	0.000	0.000	0.000	0.000
480	B	30	VAL	0	0.010	0.012	26.238	-0.364	-0.364	0.000	0.000	0.000	0.000
481	B	31	VAL	0	-0.022	-0.010	24.808	0.687	0.687	0.000	0.000	0.000	0.000
482	B	32	ARG	1	0.931	0.963	25.239	-46.419	-46.419	0.000	0.000	0.000	0.000
483	B	33	ASP	-1	-0.877	-0.949	26.962	39.540	39.540	0.000	0.000	0.000	0.000
484	B	34	THR	0	-0.050	-0.037	25.058	-0.499	-0.499	0.000	0.000	0.000	0.000
485	B	35	ASP	-1	-0.791	-0.870	22.344	52.152	52.152	0.000	0.000	0.000	0.000
486	B	36	ILE	0	0.017	0.024	18.457	-1.795	-1.795	0.000	0.000	0.000	0.000
487	B	37	LEU	0	-0.044	-0.013	20.115	1.928	1.928	0.000	0.000	0.000	0.000
488	B	38	ALA	0	0.013	0.011	17.226	-0.423	-0.423	0.000	0.000	0.000	0.000
489	B	39	ALA	0	0.026	0.025	19.076	-0.245	-0.245	0.000	0.000	0.000	0.000
490	B	40	PHE	0	0.023	-0.007	13.398	0.104	0.104	0.000	0.000	0.000	0.000
491	B	41	ARG	1	0.863	0.937	18.329	-51.350	-51.350	0.000	0.000	0.000	0.000
492	B	42	MET	0	-0.020	0.003	16.631	3.475	3.475	0.000	0.000	0.000	0.000
493	B	43	THR	0	0.019	0.013	17.570	-4.519	-4.519	0.000	0.000	0.000	0.000
494	B	44	PRO	0	0.071	0.029	17.162	3.587	3.587	0.000	0.000	0.000	0.000
495	B	45	GLN	0	0.006	0.014	14.002	-7.663	-7.663	0.000	0.000	0.000	0.000
496	B	46	PRO	0	0.006	-0.010	18.082	-1.082	-1.082	0.000	0.000	0.000	0.000
497	B	47	GLY	0	0.000	0.004	21.117	0.981	0.981	0.000	0.000	0.000	0.000
498	B	48	VAL	0	-0.034	-0.002	16.156	1.037	1.037	0.000	0.000	0.000	0.000
499	B	49	PRO	0	-0.003	0.003	18.786	-1.085	-1.085	0.000	0.000	0.000	0.000
500	B	50	PRO	0	0.102	0.031	19.177	3.533	3.533	0.000	0.000	0.000	0.000
501	B	51	GLU	-1	-0.895	-0.949	19.655	54.637	54.637	0.000	0.000	0.000	0.000
502	B	52	GLU	-1	-0.774	-0.894	13.950	78.403	78.403	0.000	0.000	0.000	0.000
503	B	53	CYS	0	-0.049	-0.013	14.981	5.828	5.828	0.000	0.000	0.000	0.000
504	B	54	GLY	0	0.041	0.003	14.987	4.100	4.100	0.000	0.000	0.000	0.000
505	B	55	ALA	0	-0.011	-0.002	15.477	1.609	1.609	0.000	0.000	0.000	0.000
506	B	56	ALA	0	0.001	0.003	11.084	3.925	3.925	0.000	0.000	0.000	0.000
507	B	57	VAL	0	-0.017	-0.008	11.035	7.629	7.629	0.000	0.000	0.000	0.000
508	B	58	ALA	0	0.022	0.014	11.570	3.054	3.054	0.000	0.000	0.000	0.000
509	B	59	ALA	0	0.000	0.019	10.377	0.241	0.241	0.000	0.000	0.000	0.000
510	B	60	GLU	-1	-0.793	-0.896	5.497	180.883	180.883	0.000	0.000	0.000	0.000
511	B	61	SER	0	0.002	0.014	7.285	6.489	6.489	0.000	0.000	0.000	0.000
512	B	62	SER	0	-0.047	-0.045	9.689	-6.958	-6.958	0.000	0.000	0.000	0.000
513	B	63	THR	0	-0.021	-0.027	9.767	0.557	0.557	0.000	0.000	0.000	0.000
514	B	64	GLY	0	-0.023	-0.007	8.232	2.189	2.189	0.000	0.000	0.000	0.000
517	B	67	THR	0	-0.019	0.001	5.350	-22.931	-22.931	0.000	0.000	0.000	0.000
518	B	68	THR	0	-0.059	-0.023	6.718	5.774	5.774	0.000	0.000	0.000	0.000
519	B	69	VAL	0	0.034	0.010	5.660	1.542	1.542	0.000	0.000	0.000	0.000
520	B	70	TRP	0	-0.030	-0.023	8.801	-8.267	-8.267	0.000	0.000	0.000	0.000
521	B	71	THR	0	-0.051	-0.077	9.710	-5.253	-5.253	0.000	0.000	0.000	0.000
522	B	72	ASP	-1	-0.857	-0.934	10.634	85.284	85.284	0.000	0.000	0.000	0.000
523	B	73	GLY	0	-0.060	-0.022	12.987	-3.460	-3.460	0.000	0.000	0.000	0.000
524	B	74	LEU	0	-0.091	-0.047	14.873	-3.441	-3.441	0.000	0.000	0.000	0.000
525	B	75	THR	0	-0.044	-0.012	14.273	-3.244	-3.244	0.000	0.000	0.000	0.000
526	B	76	SER	0	0.000	-0.001	17.311	-1.252	-1.252	0.000	0.000	0.000	0.000
527	B	77	LEU	0	0.066	0.013	12.270	-0.727	-0.727	0.000	0.000	0.000	0.000
528	B	78	ASP	-1	-0.937	-0.961	16.177	55.163	55.163	0.000	0.000	0.000	0.000
529	B	79	ARG	1	0.885	0.954	19.505	-51.677	-51.677	0.000	0.000	0.000	0.000
530	B	80	TYR	0	-0.018	-0.016	15.128	-0.830	-0.830	0.000	0.000	0.000	0.000
531	B	81	LYS	1	0.862	0.941	14.755	-59.916	-59.916	0.000	0.000	0.000	0.000
532	B	82	GLY	0	0.044	0.019	14.472	-3.810	-3.810	0.000	0.000	0.000	0.000
533	B	83	ARG	1	0.849	0.927	15.983	-54.681	-54.681	0.000	0.000	0.000	0.000
534	B	84	CYS	0	-0.004	0.010	18.017	-1.894	-1.894	0.000	0.000	0.000	0.000
535	B	85	TYR	0	-0.005	-0.021	19.652	-0.370	-0.370	0.000	0.000	0.000	0.000
536	B	86	ASP	-1	-0.877	-0.944	22.903	42.838	42.838	0.000	0.000	0.000	0.000
537	B	87	ILE	0	-0.023	-0.010	21.421	2.708	2.708	0.000	0.000	0.000	0.000
538	B	88	GLU	-1	-0.820	-0.875	24.573	41.168	41.168	0.000	0.000	0.000	0.000
539	B	89	PRO	0	0.013	-0.006	25.592	1.930	1.930	0.000	0.000	0.000	0.000
540	B	90	VAL	0	-0.034	-0.018	25.090	-0.927	-0.927	0.000	0.000	0.000	0.000
541	B	91	PRO	0	0.002	0.002	28.147	-0.459	-0.459	0.000	0.000	0.000	0.000
542	B	92	GLY	0	-0.026	-0.022	31.045	0.160	0.160	0.000	0.000	0.000	0.000
543	B	93	GLU	-1	-0.946	-0.982	26.533	44.986	44.986	0.000	0.000	0.000	0.000
544	B	94	ASP	-1	-0.941	-0.945	27.322	41.574	41.574	0.000	0.000	0.000	0.000
545	B	95	ASN	0	-0.070	-0.048	21.273	0.231	0.231	0.000	0.000	0.000	0.000
546	B	96	GLN	0	0.017	-0.007	21.972	1.433	1.433	0.000	0.000	0.000	0.000
547	B	97	TYR	0	0.016	-0.003	21.880	-2.194	-2.194	0.000	0.000	0.000	0.000
548	B	98	ILE	0	-0.017	0.003	21.600	2.187	2.187	0.000	0.000	0.000	0.000
549	B	99	ALA	0	0.000	0.000	18.407	-1.111	-1.111	0.000	0.000	0.000	0.000
550	B	100	TYR	0	-0.013	-0.004	19.927	1.008	1.008	0.000	0.000	0.000	0.000
551	B	101	VAL	0	-0.018	-0.011	15.537	0.692	0.692	0.000	0.000	0.000	0.000
552	B	102	ALA	0	0.003	0.016	18.722	-1.712	-1.712	0.000	0.000	0.000	0.000
553	B	103	TYR	0	-0.022	-0.032	13.305	2.224	2.224	0.000	0.000	0.000	0.000
554	B	104	HYP	0	0.031	0.020	17.256	-2.924	-2.924	0.000	0.000	0.000	0.000
555	B	105	ILE	0	0.063	0.023	18.628	2.385	2.385	0.000	0.000	0.000	0.000
556	B	106	ASP	-1	-0.921	-0.968	18.615	54.231	54.231	0.000	0.000	0.000	0.000
557	B	107	LEU	0	-0.066	-0.037	13.540	2.317	2.317	0.000	0.000	0.000	0.000
558	B	108	PHE	0	-0.020	-0.009	14.566	4.495	4.495	0.000	0.000	0.000	0.000
559	B	109	GLU	-1	-0.814	-0.894	16.078	58.633	58.633	0.000	0.000	0.000	0.000
560	B	110	GLU	-1	-0.778	-0.874	17.739	51.527	51.527	0.000	0.000	0.000	0.000
561	B	111	GLY	0	0.033	0.024	20.950	0.480	0.480	0.000	0.000	0.000	0.000
562	B	112	SER	0	-0.008	0.001	16.139	0.126	0.126	0.000	0.000	0.000	0.000
563	B	113	VAL	0	0.051	0.023	17.312	2.523	2.523	0.000	0.000	0.000	0.000
564	B	114	THR	0	-0.015	-0.001	13.332	2.091	2.091	0.000	0.000	0.000	0.000
565	B	115	ASN	0	-0.010	-0.001	12.288	2.529	2.529	0.000	0.000	0.000	0.000
566	B	116	MET	0	0.012	0.016	12.698	3.749	3.749	0.000	0.000	0.000	0.000
567	B	117	PHE	0	-0.008	-0.028	12.772	2.713	2.713	0.000	0.000	0.000	0.000
568	B	118	THR	0	0.003	0.033	7.982	3.507	3.507	0.000	0.000	0.000	0.000
569	B	119	SER	0	0.018	0.015	8.318	11.324	11.324	0.000	0.000	0.000	0.000
570	B	120	ILE	0	-0.032	-0.008	9.469	5.236	5.236	0.000	0.000	0.000	0.000
571	B	121	VAL	0	-0.044	-0.031	10.433	0.291	0.291	0.000	0.000	0.000	0.000
572	B	122	GLY	0	0.028	0.034	6.687	2.159	2.159	0.000	0.000	0.000	0.000
575	B	125	PHE	0	0.024	0.017	7.994	-2.482	-2.482	0.000	0.000	0.000	0.000
576	B	126	GLY	0	0.011	-0.001	5.993	-7.431	-7.431	0.000	0.000	0.000	0.000
577	B	127	PHE	0	0.008	0.003	5.835	5.648	5.648	0.000	0.000	0.000	0.000
578	B	128	LYS	1	0.811	0.894	8.671	-120.247	-120.247	0.000	0.000	0.000	0.000
579	B	129	ALA	0	-0.023	-0.006	10.520	-7.428	-7.428	0.000	0.000	0.000	0.000
580	B	130	LEU	0	-0.025	-0.015	11.266	-6.401	-6.401	0.000	0.000	0.000	0.000
581	B	131	ARG	1	0.910	0.964	13.104	-56.743	-56.743	0.000	0.000	0.000	0.000
582	B	132	ALA	0	-0.027	-0.014	14.478	1.317	1.317	0.000	0.000	0.000	0.000
583	B	133	LEU	0	-0.014	-0.005	12.087	-0.430	-0.430	0.000	0.000	0.000	0.000
584	B	134	ARG	1	0.902	0.943	15.427	-52.134	-52.134	0.000	0.000	0.000	0.000
585	B	135	LEU	0	-0.028	0.015	15.478	-1.079	-1.079	0.000	0.000	0.000	0.000
586	B	136	GLU	-1	-0.807	-0.896	17.479	48.413	48.413	0.000	0.000	0.000	0.000
587	B	137	ASP	-1	-0.792	-0.912	20.717	44.514	44.514	0.000	0.000	0.000	0.000
588	B	138	LEU	0	0.012	-0.006	17.308	2.733	2.733	0.000	0.000	0.000	0.000
589	B	139	ARG	1	0.859	0.962	21.348	-47.682	-47.682	0.000	0.000	0.000	0.000
590	B	140	ILE	0	0.005	-0.019	21.098	1.712	1.712	0.000	0.000	0.000	0.000
591	B	141	PRO	0	0.012	0.034	23.264	-2.045	-2.045	0.000	0.000	0.000	0.000
592	B	142	PRO	0	0.140	0.056	26.379	0.893	0.893	0.000	0.000	0.000	0.000
593	B	143	ALA	0	-0.012	-0.016	27.108	-0.044	-0.044	0.000	0.000	0.000	0.000
594	B	144	TYR	0	-0.022	-0.016	18.740	0.642	0.642	0.000	0.000	0.000	0.000
595	B	145	VAL	0	0.062	0.041	24.546	0.489	0.489	0.000	0.000	0.000	0.000
596	B	146	LYS	1	0.929	0.958	26.575	-36.356	-36.356	0.000	0.000	0.000	0.000
597	B	147	THR	0	-0.101	-0.062	23.900	-0.072	-0.072	0.000	0.000	0.000	0.000
598	B	148	PHE	0	-0.015	-0.014	20.554	0.922	0.922	0.000	0.000	0.000	0.000
599	B	149	VAL	0	-0.011	0.005	26.173	-1.366	-1.366	0.000	0.000	0.000	0.000
600	B	150	GLY	0	0.002	0.006	27.423	-1.330	-1.330	0.000	0.000	0.000	0.000
601	B	151	HYP	0	-0.037	-0.032	28.825	-0.041	-0.041	0.000	0.000	0.000	0.000
602	B	152	PRO	0	-0.045	0.002	30.835	-0.599	-0.599	0.000	0.000	0.000	0.000
603	B	153	HIS	0	-0.037	-0.017	33.374	-1.483	-1.483	0.000	0.000	0.000	0.000
604	B	154	GLY	0	0.048	0.020	35.191	-0.296	-0.296	0.000	0.000	0.000	0.000
605	B	155	ILE	0	-0.030	-0.011	36.064	-0.803	-0.803	0.000	0.000	0.000	0.000
606	B	156	GLN	0	0.013	0.005	38.575	-0.529	-0.529	0.000	0.000	0.000	0.000
607	B	157	VAL	0	0.052	0.032	39.473	-0.622	-0.622	0.000	0.000	0.000	0.000
608	B	158	GLU	-1	-0.794	-0.874	37.678	30.968	30.968	0.000	0.000	0.000	0.000
609	B	159	ARG	1	0.810	0.885	40.748	-28.286	-28.286	0.000	0.000	0.000	0.000
610	B	160	ASP	-1	-0.822	-0.911	43.794	25.943	25.943	0.000	0.000	0.000	0.000
611	B	161	LYS	1	0.831	0.937	40.555	-29.465	-29.465	0.000	0.000	0.000	0.000
612	B	162	LEU	0	-0.061	-0.044	41.257	-0.619	-0.619	0.000	0.000	0.000	0.000
613	B	163	ASN	0	-0.012	-0.004	45.438	-0.409	-0.409	0.000	0.000	0.000	0.000
614	B	164	LYS	1	0.812	0.929	44.955	-26.039	-26.039	0.000	0.000	0.000	0.000
615	B	165	TYR	0	0.003	-0.011	46.469	0.477	0.477	0.000	0.000	0.000	0.000
616	B	166	GLY	0	0.025	0.030	48.047	-0.407	-0.407	0.000	0.000	0.000	0.000
617	B	167	ARG	1	0.805	0.900	46.318	-25.779	-25.779	0.000	0.000	0.000	0.000
618	B	168	GLY	0	0.025	0.037	43.158	0.432	0.432	0.000	0.000	0.000	0.000
619	B	169	LEU	0	-0.018	-0.011	40.638	-0.523	-0.523	0.000	0.000	0.000	0.000
620	B	170	LEU	0	-0.005	0.011	41.686	0.481	0.481	0.000	0.000	0.000	0.000
621	B	171	GLY	0	0.065	-0.010	39.582	-0.181	-0.181	0.000	0.000	0.000	0.000
622	B	172	CYS	0	-0.045	-0.013	39.656	-0.382	-0.382	0.000	0.000	0.000	0.000
623	B	173	THR	0	0.083	0.019	34.432	-0.254	-0.254	0.000	0.000	0.000	0.000
624	B	174	ILE	0	-0.005	-0.006	37.504	-0.627	-0.627	0.000	0.000	0.000	0.000
625	B	175	LYS	1	0.821	0.910	34.654	-32.083	-32.083	0.000	0.000	0.000	0.000
626	B	176	PRO	0	0.052	0.046	38.123	-0.924	-0.924	0.000	0.000	0.000	0.000
627	B	177	LYS	1	0.778	0.905	30.479	-36.350	-36.350	0.000	0.000	0.000	0.000
628	B	178	LEU	0	-0.023	-0.008	30.529	-0.090	-0.090	0.000	0.000	0.000	0.000
629	B	179	GLY	0	0.050	0.016	35.138	-0.579	-0.579	0.000	0.000	0.000	0.000
630	B	180	LEU	0	-0.044	-0.012	38.234	-0.913	-0.913	0.000	0.000	0.000	0.000
631	B	181	SER	0	0.056	0.030	39.596	0.478	0.478	0.000	0.000	0.000	0.000
632	B	182	ALA	0	0.095	0.040	41.040	-0.101	-0.101	0.000	0.000	0.000	0.000
633	B	183	LYS	1	0.973	0.991	42.022	-23.924	-23.924	0.000	0.000	0.000	0.000
634	B	184	ASN	0	-0.027	-0.029	44.225	-0.930	-0.930	0.000	0.000	0.000	0.000
635	B	185	TYR	0	0.085	0.043	36.672	-0.190	-0.190	0.000	0.000	0.000	0.000
636	B	186	GLY	0	0.059	0.031	42.530	-0.058	-0.058	0.000	0.000	0.000	0.000
637	B	187	ARG	1	0.906	0.951	44.846	-24.201	-24.201	0.000	0.000	0.000	0.000
638	B	188	ALA	0	-0.002	-0.012	43.855	-0.361	-0.361	0.000	0.000	0.000	0.000
639	B	189	VAL	0	0.065	0.025	41.772	-0.171	-0.171	0.000	0.000	0.000	0.000
640	B	190	TYR	0	-0.078	-0.066	44.617	-0.250	-0.250	0.000	0.000	0.000	0.000
641	B	191	GLU	-1	-0.923	-0.972	48.194	22.593	22.593	0.000	0.000	0.000	0.000
642	B	192	CYS	0	-0.032	-0.019	43.699	-0.378	-0.378	0.000	0.000	0.000	0.000
643	B	193	LEU	0	0.042	0.030	43.719	-0.229	-0.229	0.000	0.000	0.000	0.000
644	B	194	ARG	1	0.757	0.876	47.365	-22.437	-22.437	0.000	0.000	0.000	0.000
645	B	195	GLY	0	-0.029	-0.020	50.204	-0.441	-0.441	0.000	0.000	0.000	0.000
646	B	196	GLY	0	0.000	0.001	49.846	-0.328	-0.328	0.000	0.000	0.000	0.000
647	B	197	LEU	0	-0.034	-0.007	43.878	0.114	0.114	0.000	0.000	0.000	0.000
648	B	198	ASP	-1	-0.787	-0.888	43.483	25.931	25.931	0.000	0.000	0.000	0.000
649	B	199	PHE	0	-0.001	-0.007	39.646	0.070	0.070	0.000	0.000	0.000	0.000
650	B	200	THR	0	-0.028	-0.044	40.291	-0.376	-0.376	0.000	0.000	0.000	0.000
651	B	201	KCX	-1	-0.503	-0.809	32.139	36.161	36.161	0.000	0.000	0.000	0.000
652	B	202	ASP	-1	-0.742	-0.847	33.599	31.846	31.846	0.000	0.000	0.000	0.000
653	B	203	ASP	0	0.242	0.057	32.939	0.381	0.381	0.000	0.000	0.000	0.000
654	B	204	GLU	0	0.195	-0.013	27.334	0.031	0.031	0.000	0.000	0.000	0.000
655	B	1470	merge:B:AS	-1	-2.299	-1.555	27.127	35.607	35.607	0.000	0.000	0.000	0.000
656	B	205	ASN	0	0.007	0.000	27.589	0.072	0.072	0.000	0.000	0.000	0.000
657	B	206	VAL	0	-0.043	0.001	28.748	-0.231	-0.231	0.000	0.000	0.000	0.000
658	B	207	ASN	0	-0.036	-0.009	26.953	1.581	1.581	0.000	0.000	0.000	0.000
659	B	208	SER	0	0.053	0.028	30.488	-1.887	-1.887	0.000	0.000	0.000	0.000
660	B	209	GLN	0	0.002	0.009	30.283	0.274	0.274	0.000	0.000	0.000	0.000
661	B	210	PRO	0	-0.008	-0.011	32.724	-1.069	-1.069	0.000	0.000	0.000	0.000
662	B	211	PHE	0	-0.027	-0.003	33.595	-0.946	-0.946	0.000	0.000	0.000	0.000
663	B	212	MET	0	-0.064	-0.009	36.214	-1.320	-1.320	0.000	0.000	0.000	0.000
664	B	213	ARG	1	0.830	0.911	32.825	-32.639	-32.639	0.000	0.000	0.000	0.000
665	B	214	TRP	0	0.060	-0.003	33.352	-0.996	-0.996	0.000	0.000	0.000	0.000
666	B	215	ARG	1	0.958	0.987	35.822	-29.048	-29.048	0.000	0.000	0.000	0.000
667	B	216	ASP	-1	-0.885	-0.946	38.625	27.621	27.621	0.000	0.000	0.000	0.000
668	B	217	ARG	1	0.767	0.835	33.566	-33.589	-33.589	0.000	0.000	0.000	0.000
669	B	218	PHE	0	-0.008	-0.008	34.025	-0.625	-0.625	0.000	0.000	0.000	0.000
670	B	219	LEU	0	0.022	0.010	39.998	-0.466	-0.466	0.000	0.000	0.000	0.000
671	B	220	PHE	0	0.010	-0.002	43.522	-0.629	-0.629	0.000	0.000	0.000	0.000
672	B	221	VAL	0	0.003	-0.003	40.200	-0.507	-0.507	0.000	0.000	0.000	0.000
673	B	222	ALA	0	0.009	0.017	43.228	-0.375	-0.375	0.000	0.000	0.000	0.000
674	B	223	GLU	-1	-0.953	-0.976	44.592	23.420	23.420	0.000	0.000	0.000	0.000
675	B	224	ALA	0	-0.062	-0.031	45.601	-0.553	-0.553	0.000	0.000	0.000	0.000
676	B	225	ILE	0	0.008	-0.004	41.971	-0.376	-0.376	0.000	0.000	0.000	0.000
677	B	226	TYR	0	-0.010	-0.014	45.860	-0.472	-0.472	0.000	0.000	0.000	0.000
678	B	227	LYS	1	0.923	0.978	49.634	-22.528	-22.528	0.000	0.000	0.000	0.000
679	B	228	ALA	0	0.019	0.001	48.869	-0.449	-0.449	0.000	0.000	0.000	0.000
680	B	229	GLN	0	0.023	0.027	48.092	0.250	0.250	0.000	0.000	0.000	0.000
681	B	230	ALA	0	-0.019	-0.002	51.138	-0.352	-0.352	0.000	0.000	0.000	0.000
682	B	231	GLU	-1	-0.852	-0.902	54.235	21.578	21.578	0.000	0.000	0.000	0.000
683	B	232	THR	0	-0.025	-0.028	52.084	-0.243	-0.243	0.000	0.000	0.000	0.000
684	B	233	GLY	0	-0.007	0.009	54.415	-0.264	-0.264	0.000	0.000	0.000	0.000
685	B	234	GLU	-1	-0.768	-0.857	50.418	23.627	23.627	0.000	0.000	0.000	0.000
686	B	235	VAL	0	0.008	-0.003	45.878	0.069	0.069	0.000	0.000	0.000	0.000
687	B	236	LYS	1	0.847	0.944	45.810	-24.509	-24.509	0.000	0.000	0.000	0.000
688	B	237	GLY	0	0.025	0.006	41.865	0.144	0.144	0.000	0.000	0.000	0.000
689	B	238	HIS	0	-0.015	-0.022	37.415	-0.931	-0.931	0.000	0.000	0.000	0.000
690	B	239	TYR	0	-0.025	-0.009	34.393	-0.035	-0.035	0.000	0.000	0.000	0.000
691	B	240	LEU	0	-0.012	-0.005	35.363	0.225	0.225	0.000	0.000	0.000	0.000
692	B	241	ASN	0	0.011	-0.011	28.732	1.050	1.050	0.000	0.000	0.000	0.000
693	B	242	ALA	0	-0.021	-0.005	29.878	-0.393	-0.393	0.000	0.000	0.000	0.000
694	B	243	THR	0	0.008	0.011	24.327	1.190	1.190	0.000	0.000	0.000	0.000
695	B	244	ALA	0	-0.010	-0.009	25.107	-1.342	-1.342	0.000	0.000	0.000	0.000
696	B	245	GLY	0	0.033	0.017	23.026	1.697	1.697	0.000	0.000	0.000	0.000
697	B	246	THR	0	0.028	0.019	21.951	1.762	1.762	0.000	0.000	0.000	0.000
698	B	248	GLU	-1	-0.840	-0.899	24.859	43.763	43.763	0.000	0.000	0.000	0.000
699	B	249	GLU	-1	-0.882	-0.951	27.350	35.100	35.100	0.000	0.000	0.000	0.000
700	B	250	MET	0	-0.018	0.011	25.511	-0.927	-0.927	0.000	0.000	0.000	0.000
701	B	251	MET	0	-0.015	-0.015	27.536	-1.712	-1.712	0.000	0.000	0.000	0.000
702	B	252	LYS	1	0.879	0.948	30.479	-36.517	-36.517	0.000	0.000	0.000	0.000
703	B	253	ARG	1	0.758	0.858	29.174	-39.064	-39.064	0.000	0.000	0.000	0.000
704	B	254	ALA	0	0.051	0.029	31.850	-0.931	-0.931	0.000	0.000	0.000	0.000
705	B	255	VAL	0	0.014	0.012	33.741	-0.927	-0.927	0.000	0.000	0.000	0.000
706	B	256	SMC	0	-0.083	-0.013	36.317	-1.059	-1.059	0.000	0.000	0.000	0.000
707	B	257	ALA	0	0.054	0.009	36.617	-0.858	-0.858	0.000	0.000	0.000	0.000
708	B	258	LYS	1	0.952	0.973	37.992	-30.375	-30.375	0.000	0.000	0.000	0.000
709	B	259	GLU	-1	-1.008	-1.002	39.719	28.430	28.430	0.000	0.000	0.000	0.000
710	B	260	LEU	0	-0.079	-0.029	40.843	-0.797	-0.797	0.000	0.000	0.000	0.000
711	B	261	GLY	0	-0.003	-0.002	42.953	-0.592	-0.592	0.000	0.000	0.000	0.000
712	B	262	VAL	0	-0.042	-0.020	39.504	-0.190	-0.190	0.000	0.000	0.000	0.000
713	B	263	PRO	0	0.036	0.016	40.860	0.536	0.536	0.000	0.000	0.000	0.000
714	B	264	ILE	0	-0.042	-0.020	35.944	0.415	0.415	0.000	0.000	0.000	0.000
715	B	265	ILE	0	0.013	0.021	31.679	-0.270	-0.270	0.000	0.000	0.000	0.000
716	B	266	MET	0	-0.033	-0.004	29.626	-0.315	-0.315	0.000	0.000	0.000	0.000
717	B	267	HIS	0	-0.037	-0.030	22.801	0.375	0.375	0.000	0.000	0.000	0.000
718	B	268	ASP	-1	-0.746	-0.895	23.865	41.865	41.865	0.000	0.000	0.000	0.000
719	B	269	TYR	0	-0.082	-0.049	21.533	1.879	1.879	0.000	0.000	0.000	0.000
720	B	270	LEU	0	-0.029	-0.003	17.991	2.429	2.429	0.000	0.000	0.000	0.000
721	B	271	THR	0	-0.045	-0.048	17.837	2.211	2.211	0.000	0.000	0.000	0.000
722	B	272	GLY	0	0.017	0.012	19.038	1.115	1.115	0.000	0.000	0.000	0.000
723	B	273	GLY	0	-0.002	-0.010	17.724	2.145	2.145	0.000	0.000	0.000	0.000
724	B	274	PHE	0	0.068	0.009	16.215	-3.239	-3.239	0.000	0.000	0.000	0.000
725	B	275	THR	0	-0.004	0.018	17.047	-1.324	-1.324	0.000	0.000	0.000	0.000
726	B	276	ALA	0	0.007	-0.015	19.360	-2.393	-2.393	0.000	0.000	0.000	0.000
727	B	277	ASN	0	0.030	0.011	21.571	-3.192	-3.192	0.000	0.000	0.000	0.000
728	B	278	THR	0	0.022	0.010	21.537	-1.936	-1.936	0.000	0.000	0.000	0.000
729	B	279	SER	0	-0.022	-0.018	23.746	-0.801	-0.801	0.000	0.000	0.000	0.000
730	B	280	LEU	0	0.021	0.013	25.454	-1.877	-1.877	0.000	0.000	0.000	0.000
731	B	281	ALA	0	0.036	0.020	27.367	-1.730	-1.730	0.000	0.000	0.000	0.000
732	B	282	ILE	0	-0.005	0.000	25.916	-1.325	-1.325	0.000	0.000	0.000	0.000
733	B	283	TYR	0	0.050	0.029	29.654	-1.534	-1.534	0.000	0.000	0.000	0.000
734	B	284	CYS	0	-0.055	-0.030	31.498	-1.372	-1.372	0.000	0.000	0.000	0.000
735	B	285	ARG	1	0.851	0.904	32.636	-36.305	-36.305	0.000	0.000	0.000	0.000
736	B	286	ASP	-1	-0.953	-0.967	33.056	34.069	34.069	0.000	0.000	0.000	0.000
737	B	287	ASN	0	-0.140	-0.088	35.158	-1.683	-1.683	0.000	0.000	0.000	0.000
738	B	288	GLY	0	-0.038	0.002	37.563	-0.741	-0.741	0.000	0.000	0.000	0.000
739	B	289	LEU	0	-0.015	-0.006	35.405	-0.579	-0.579	0.000	0.000	0.000	0.000
740	B	290	LEU	0	-0.037	-0.022	35.901	0.611	0.611	0.000	0.000	0.000	0.000
741	B	291	LEU	0	0.016	-0.006	28.436	0.041	0.041	0.000	0.000	0.000	0.000
742	B	292	HIS	0	-0.017	-0.018	31.505	-0.095	-0.095	0.000	0.000	0.000	0.000
743	B	293	ILE	0	0.023	0.013	25.620	0.664	0.664	0.000	0.000	0.000	0.000
744	B	294	HIS	0	0.699	0.600	26.971	0.699	0.699	0.000	0.000	0.000	0.000
745	B	295	ARG	1	0.768	0.841	24.089	-39.662	-39.662	0.000	0.000	0.000	0.000
746	B	296	ALA	0	0.014	0.001	23.182	1.533	1.533	0.000	0.000	0.000	0.000
747	B	297	MET	0	-0.012	-0.013	15.180	1.932	1.932	0.000	0.000	0.000	0.000
748	B	298	HIS	1	0.857	0.906	19.469	-43.705	-43.705	0.000	0.000	0.000	0.000
749	B	299	ALA	0	0.000	0.022	20.253	1.467	1.467	0.000	0.000	0.000	0.000
750	B	300	VAL	0	-0.040	-0.013	16.013	0.340	0.340	0.000	0.000	0.000	0.000
751	B	301	ILE	0	-0.023	-0.010	14.928	2.632	2.632	0.000	0.000	0.000	0.000
752	B	302	ASP	-1	-0.772	-0.888	17.277	50.044	50.044	0.000	0.000	0.000	0.000
753	B	303	ARG	1	0.846	0.951	20.496	-44.396	-44.396	0.000	0.000	0.000	0.000
754	B	304	GLN	0	-0.037	-0.011	19.844	-2.380	-2.380	0.000	0.000	0.000	0.000
755	B	305	ARG	1	0.938	0.966	21.251	-42.833	-42.833	0.000	0.000	0.000	0.000
756	B	306	ASN	0	0.002	-0.018	18.872	-0.393	-0.393	0.000	0.000	0.000	0.000
757	B	307	HIS	0	0.000	-0.018	11.841	-1.274	-1.274	0.000	0.000	0.000	0.000
758	B	308	GLY	0	0.050	0.043	15.086	-2.018	-2.018	0.000	0.000	0.000	0.000
759	B	309	ILE	0	-0.030	-0.024	13.857	1.420	1.420	0.000	0.000	0.000	0.000
760	B	310	HIS	0	0.032	0.028	17.609	-1.319	-1.319	0.000	0.000	0.000	0.000
761	B	311	PHE	0	0.085	0.021	21.288	0.788	0.788	0.000	0.000	0.000	0.000
762	B	312	ARG	1	0.913	0.951	23.198	-45.835	-45.835	0.000	0.000	0.000	0.000
763	B	313	VAL	0	-0.017	0.005	18.304	-0.545	-0.545	0.000	0.000	0.000	0.000
764	B	314	LEU	0	-0.005	-0.005	17.537	0.462	0.462	0.000	0.000	0.000	0.000
765	B	315	ALA	0	0.024	0.034	21.237	-0.575	-0.575	0.000	0.000	0.000	0.000
766	B	316	LYS	1	0.805	0.881	22.822	-46.701	-46.701	0.000	0.000	0.000	0.000
767	B	317	ALA	0	0.013	0.005	19.865	-0.417	-0.417	0.000	0.000	0.000	0.000
768	B	318	LEU	0	0.012	0.011	21.688	-0.178	-0.178	0.000	0.000	0.000	0.000
769	B	319	ARG	1	0.782	0.907	24.206	-38.690	-38.690	0.000	0.000	0.000	0.000
770	B	320	MET	0	-0.019	-0.006	21.154	-0.823	-0.823	0.000	0.000	0.000	0.000
771	B	321	SER	0	-0.085	-0.044	22.023	-0.526	-0.526	0.000	0.000	0.000	0.000
772	B	322	GLY	0	0.045	0.013	23.926	-0.690	-0.690	0.000	0.000	0.000	0.000
773	B	323	GLY	0	0.029	-0.019	27.216	0.821	0.821	0.000	0.000	0.000	0.000
774	B	324	ASP	-1	-0.740	-0.859	29.590	34.160	34.160	0.000	0.000	0.000	0.000
775	B	325	HIS	1	0.737	0.863	32.186	-33.668	-33.668	0.000	0.000	0.000	0.000
776	B	326	LEU	0	0.031	0.016	25.880	1.083	1.083	0.000	0.000	0.000	0.000
777	B	327	HIS	0	-0.001	-0.006	28.633	-1.268	-1.268	0.000	0.000	0.000	0.000
778	B	328	SER	0	0.009	-0.011	28.768	1.079	1.079	0.000	0.000	0.000	0.000
779	B	329	GLY	0	0.012	0.008	30.772	0.504	0.504	0.000	0.000	0.000	0.000
780	B	330	THR	0	0.004	-0.006	31.649	-0.784	-0.784	0.000	0.000	0.000	0.000
781	B	331	VAL	0	0.022	0.039	33.926	-1.013	-1.013	0.000	0.000	0.000	0.000
782	B	332	VAL	0	-0.012	-0.014	35.390	0.017	0.017	0.000	0.000	0.000	0.000
783	B	333	GLY	0	0.026	0.026	36.602	-0.585	-0.585	0.000	0.000	0.000	0.000
784	B	334	LYS	1	0.769	0.887	33.062	-33.240	-33.240	0.000	0.000	0.000	0.000
785	B	335	LEU	0	-0.034	-0.016	28.837	0.519	0.519	0.000	0.000	0.000	0.000
786	B	336	GLU	-1	-0.984	-1.002	27.039	40.600	40.600	0.000	0.000	0.000	0.000
787	B	337	GLY	0	0.070	0.028	29.952	0.538	0.538	0.000	0.000	0.000	0.000
788	B	338	GLU	-1	-0.869	-0.925	30.942	34.698	34.698	0.000	0.000	0.000	0.000
789	B	339	ARG	1	0.921	0.941	32.850	-29.155	-29.155	0.000	0.000	0.000	0.000
790	B	340	GLU	-1	-0.902	-0.951	34.704	31.908	31.908	0.000	0.000	0.000	0.000
791	B	341	VAL	0	0.003	-0.008	28.590	0.610	0.610	0.000	0.000	0.000	0.000
792	B	342	THR	0	-0.018	-0.008	31.078	0.811	0.811	0.000	0.000	0.000	0.000
793	B	343	LEU	0	-0.020	-0.012	32.281	0.070	0.070	0.000	0.000	0.000	0.000
794	B	344	GLY	0	0.028	0.028	31.990	-0.247	-0.247	0.000	0.000	0.000	0.000
795	B	345	PHE	0	-0.009	-0.027	28.023	0.611	0.611	0.000	0.000	0.000	0.000
796	B	346	VAL	0	-0.013	-0.014	29.992	0.454	0.454	0.000	0.000	0.000	0.000
797	B	347	ASP	-1	-0.848	-0.914	32.991	32.811	32.811	0.000	0.000	0.000	0.000
798	B	348	LEU	0	-0.106	-0.041	27.210	0.517	0.517	0.000	0.000	0.000	0.000
799	B	349	MET	0	-0.069	-0.001	29.230	0.823	0.823	0.000	0.000	0.000	0.000
800	B	350	ARG	1	0.870	0.934	30.963	-31.789	-31.789	0.000	0.000	0.000	0.000
801	B	351	ASP	-1	-0.866	-0.917	34.246	32.000	32.000	0.000	0.000	0.000	0.000
802	B	352	ASP	-1	-0.899	-0.956	33.730	34.649	34.649	0.000	0.000	0.000	0.000
803	B	353	TYR	0	0.001	-0.009	34.000	1.165	1.165	0.000	0.000	0.000	0.000
804	B	354	VAL	0	0.008	0.017	31.757	-0.518	-0.518	0.000	0.000	0.000	0.000
805	B	355	GLU	-1	-0.913	-0.968	32.427	34.149	34.149	0.000	0.000	0.000	0.000
806	B	356	LYS	1	0.920	0.957	29.982	-37.574	-37.574	0.000	0.000	0.000	0.000
807	B	357	ASP	-1	-0.796	-0.905	31.707	33.086	33.086	0.000	0.000	0.000	0.000
808	B	358	ARG	1	0.841	0.899	28.216	-41.546	-41.546	0.000	0.000	0.000	0.000
809	B	359	SER	0	-0.071	-0.020	31.620	0.598	0.598	0.000	0.000	0.000	0.000
810	B	360	ARG	1	0.999	1.004	32.646	-32.555	-32.555	0.000	0.000	0.000	0.000
811	B	361	GLY	0	-0.068	-0.037	28.587	0.897	0.897	0.000	0.000	0.000	0.000
812	B	362	ILE	0	-0.016	0.009	27.258	1.973	1.973	0.000	0.000	0.000	0.000
813	B	363	TYR	0	-0.061	-0.047	25.036	-0.810	-0.810	0.000	0.000	0.000	0.000
814	B	364	PHE	0	-0.031	-0.022	22.470	-0.168	-0.168	0.000	0.000	0.000	0.000
815	B	365	THR	0	0.039	0.028	27.787	-0.213	-0.213	0.000	0.000	0.000	0.000
816	B	366	GLN	0	-0.048	-0.018	26.046	3.176	3.176	0.000	0.000	0.000	0.000
817	B	367	ASP	-1	-0.811	-0.904	29.475	34.782	34.782	0.000	0.000	0.000	0.000
818	B	368	TRP	0	-0.066	-0.041	25.698	2.177	2.177	0.000	0.000	0.000	0.000
819	B	369	SMC	0	-0.058	-0.025	31.084	0.107	0.107	0.000	0.000	0.000	0.000
820	B	370	SER	0	-0.009	-0.020	33.469	-0.319	-0.319	0.000	0.000	0.000	0.000
821	B	371	MET	0	-0.085	-0.007	27.833	0.072	0.072	0.000	0.000	0.000	0.000
822	B	372	PRO	0	0.025	0.009	32.634	-0.341	-0.341	0.000	0.000	0.000	0.000
823	B	373	GLY	0	0.042	0.029	32.635	1.111	1.111	0.000	0.000	0.000	0.000
824	B	374	VAL	0	-0.018	-0.022	29.397	-0.491	-0.491	0.000	0.000	0.000	0.000
825	B	375	MET	0	0.016	0.004	32.789	-0.573	-0.573	0.000	0.000	0.000	0.000
826	B	376	PRO	0	-0.020	-0.013	32.925	0.779	0.779	0.000	0.000	0.000	0.000
827	B	377	VAL	0	-0.027	-0.015	32.832	-1.108	-1.108	0.000	0.000	0.000	0.000
828	B	378	ALA	0	0.010	0.024	33.147	1.027	1.027	0.000	0.000	0.000	0.000
829	B	379	SER	0	0.002	-0.054	33.564	-1.316	-1.316	0.000	0.000	0.000	0.000
830	B	380	GLY	0	0.079	0.042	33.690	0.885	0.885	0.000	0.000	0.000	0.000
831	B	381	GLY	0	-0.025	-0.034	35.044	0.105	0.105	0.000	0.000	0.000	0.000
832	B	382	ILE	0	-0.053	-0.007	37.804	-0.351	-0.351	0.000	0.000	0.000	0.000
833	B	383	HIS	0	0.016	-0.018	40.243	-0.506	-0.506	0.000	0.000	0.000	0.000
834	B	384	VAL	0	0.053	0.015	43.979	0.099	0.099	0.000	0.000	0.000	0.000
835	B	385	TRP	0	-0.079	-0.034	46.842	-0.516	-0.516	0.000	0.000	0.000	0.000
836	B	386	HIS	0	0.044	0.019	41.692	-0.253	-0.253	0.000	0.000	0.000	0.000
837	B	387	MET	0	-0.032	0.013	44.101	0.494	0.494	0.000	0.000	0.000	0.000
838	B	388	PRO	0	0.045	0.014	45.300	0.249	0.249	0.000	0.000	0.000	0.000
839	B	389	ALA	0	0.024	0.016	42.735	0.199	0.199	0.000	0.000	0.000	0.000
840	B	390	LEU	0	-0.019	-0.006	39.195	0.522	0.522	0.000	0.000	0.000	0.000
841	B	391	VAL	0	-0.010	-0.025	41.859	0.397	0.397	0.000	0.000	0.000	0.000
842	B	392	GLU	-1	-0.935	-0.954	43.787	27.787	27.787	0.000	0.000	0.000	0.000
843	B	393	ILE	0	-0.032	-0.014	37.661	0.259	0.259	0.000	0.000	0.000	0.000
844	B	394	PHE	0	-0.049	-0.025	34.977	0.449	0.449	0.000	0.000	0.000	0.000
845	B	395	GLY	0	0.040	0.028	40.061	0.174	0.174	0.000	0.000	0.000	0.000
846	B	396	ASP	-1	-0.835	-0.925	42.609	26.135	26.135	0.000	0.000	0.000	0.000
847	B	397	ASP	-1	-0.869	-0.913	39.628	28.970	28.970	0.000	0.000	0.000	0.000
848	B	398	ALA	0	0.047	0.007	38.026	0.982	0.982	0.000	0.000	0.000	0.000
849	B	399	CYS	0	-0.027	0.002	37.197	-0.934	-0.934	0.000	0.000	0.000	0.000
850	B	400	LEU	0	0.001	0.007	37.543	0.777	0.777	0.000	0.000	0.000	0.000
851	B	401	GLN	0	0.032	0.020	34.644	-0.725	-0.725	0.000	0.000	0.000	0.000
852	B	402	PHE	0	0.011	0.005	38.807	0.292	0.292	0.000	0.000	0.000	0.000
853	B	403	GLY	0	0.048	0.037	38.675	-0.484	-0.484	0.000	0.000	0.000	0.000
854	B	404	GLY	0	0.061	0.003	39.351	-0.828	-0.828	0.000	0.000	0.000	0.000
855	B	405	GLY	0	-0.033	-0.012	41.248	-0.734	-0.734	0.000	0.000	0.000	0.000
856	B	406	THR	0	-0.061	-0.036	43.278	-0.786	-0.786	0.000	0.000	0.000	0.000
857	B	407	LEU	0	-0.015	-0.023	41.489	-0.668	-0.668	0.000	0.000	0.000	0.000
858	B	408	GLY	0	0.031	0.004	44.732	-0.200	-0.200	0.000	0.000	0.000	0.000
859	B	409	HIS	0	-0.029	0.012	45.696	-0.338	-0.338	0.000	0.000	0.000	0.000
860	B	410	PRO	0	0.020	0.000	48.997	-0.049	-0.049	0.000	0.000	0.000	0.000
861	B	411	TRP	0	-0.080	-0.067	51.993	-0.439	-0.439	0.000	0.000	0.000	0.000
862	B	412	GLY	0	0.045	0.031	50.153	-0.265	-0.265	0.000	0.000	0.000	0.000
863	B	413	ASN	0	0.040	0.016	46.082	0.008	0.008	0.000	0.000	0.000	0.000
864	B	414	ALA	0	0.054	0.050	48.782	0.129	0.129	0.000	0.000	0.000	0.000
865	B	415	PRO	0	-0.011	-0.022	51.435	0.001	0.001	0.000	0.000	0.000	0.000
866	B	416	GLY	0	0.035	0.017	48.595	0.009	0.009	0.000	0.000	0.000	0.000
867	B	417	ALA	0	-0.018	0.006	47.640	0.230	0.230	0.000	0.000	0.000	0.000
868	B	418	ALA	0	0.022	0.016	48.624	0.110	0.110	0.000	0.000	0.000	0.000
869	B	419	ALA	0	-0.042	-0.013	50.161	-0.129	-0.129	0.000	0.000	0.000	0.000
870	B	420	ASN	0	0.001	-0.011	45.617	-0.029	-0.029	0.000	0.000	0.000	0.000
871	B	421	ARG	1	0.763	0.861	48.214	-23.782	-23.782	0.000	0.000	0.000	0.000
872	B	422	VAL	0	-0.008	-0.004	49.642	-0.085	-0.085	0.000	0.000	0.000	0.000
873	B	423	ALA	0	-0.020	-0.013	48.988	-0.131	-0.131	0.000	0.000	0.000	0.000
874	B	424	LEU	0	0.038	0.001	45.402	-0.006	-0.006	0.000	0.000	0.000	0.000
875	B	425	GLU	-1	-0.770	-0.893	48.758	22.917	22.917	0.000	0.000	0.000	0.000
876	B	426	ALA	0	0.010	0.006	51.847	-0.260	-0.260	0.000	0.000	0.000	0.000
877	B	427	CYS	0	-0.054	-0.026	49.223	-0.132	-0.132	0.000	0.000	0.000	0.000
878	B	428	THR	0	0.025	0.028	49.301	0.156	0.156	0.000	0.000	0.000	0.000
879	B	429	GLN	0	0.000	0.005	51.040	-0.077	-0.077	0.000	0.000	0.000	0.000
880	B	430	ALA	0	-0.012	-0.011	53.279	-0.209	-0.209	0.000	0.000	0.000	0.000
881	B	431	ARG	1	0.848	0.914	47.066	-25.244	-25.244	0.000	0.000	0.000	0.000
882	B	432	ASN	0	-0.034	-0.041	52.218	0.353	0.353	0.000	0.000	0.000	0.000
883	B	433	GLU	-1	-0.975	-0.993	54.369	20.569	20.569	0.000	0.000	0.000	0.000
884	B	434	GLY	0	-0.019	0.003	55.722	-0.397	-0.397	0.000	0.000	0.000	0.000
885	B	435	ARG	1	0.858	0.942	55.222	-21.265	-21.265	0.000	0.000	0.000	0.000
886	B	436	ASP	-1	-0.837	-0.913	51.313	24.672	24.672	0.000	0.000	0.000	0.000
887	B	437	LEU	0	-0.007	-0.030	48.099	-0.102	-0.102	0.000	0.000	0.000	0.000
888	B	438	ALA	0	-0.001	0.017	47.403	0.200	0.200	0.000	0.000	0.000	0.000
889	B	439	ARG	1	0.891	0.947	48.623	-23.555	-23.555	0.000	0.000	0.000	0.000
890	B	440	GLU	-1	-0.866	-0.942	51.989	21.603	21.603	0.000	0.000	0.000	0.000
891	B	441	GLY	0	0.072	0.041	50.297	-0.159	-0.159	0.000	0.000	0.000	0.000
892	B	442	GLY	0	-0.026	-0.035	51.215	-0.139	-0.139	0.000	0.000	0.000	0.000
893	B	443	ASP	-1	-0.920	-0.953	52.731	21.143	21.143	0.000	0.000	0.000	0.000
894	B	444	VAL	0	-0.009	0.009	53.059	-0.425	-0.425	0.000	0.000	0.000	0.000
895	B	445	ILE	0	0.019	0.012	49.859	-0.241	-0.241	0.000	0.000	0.000	0.000
896	B	446	ARG	1	0.984	0.968	53.454	-22.431	-22.431	0.000	0.000	0.000	0.000
897	B	447	SER	0	-0.074	-0.047	56.512	-0.439	-0.439	0.000	0.000	0.000	0.000
898	B	448	ALA	0	0.043	0.025	55.020	-0.346	-0.346	0.000	0.000	0.000	0.000
899	B	449	CYS	0	-0.126	-0.064	50.450	0.249	0.249	0.000	0.000	0.000	0.000
900	B	450	LYS	1	0.892	0.942	57.238	-19.850	-19.850	0.000	0.000	0.000	0.000
901	B	451	TRP	0	0.004	0.016	58.363	-0.525	-0.525	0.000	0.000	0.000	0.000
902	B	452	SER	0	0.013	0.015	56.798	-0.066	-0.066	0.000	0.000	0.000	0.000
903	B	453	PRO	0	0.037	0.001	57.786	0.232	0.232	0.000	0.000	0.000	0.000
904	B	454	GLU	-1	-0.826	-0.921	54.250	21.172	21.172	0.000	0.000	0.000	0.000
905	B	455	LEU	0	0.044	0.022	51.690	0.396	0.396	0.000	0.000	0.000	0.000
906	B	456	ALA	0	-0.001	0.004	53.548	0.328	0.328	0.000	0.000	0.000	0.000
907	B	457	ALA	0	-0.022	-0.010	54.784	0.131	0.131	0.000	0.000	0.000	0.000
908	B	458	ALA	0	0.013	0.007	49.850	0.265	0.265	0.000	0.000	0.000	0.000
909	B	460	GLU	-1	-0.968	-0.981	51.968	22.103	22.103	0.000	0.000	0.000	0.000
910	B	461	VAL	0	0.016	0.019	48.845	0.134	0.134	0.000	0.000	0.000	0.000
911	B	462	TRP	0	-0.017	-0.018	45.339	0.254	0.254	0.000	0.000	0.000	0.000
912	B	463	LYS	1	0.915	0.966	47.618	-22.039	-22.039	0.000	0.000	0.000	0.000
913	B	464	GLU	-1	-0.939	-0.980	48.918	23.688	23.688	0.000	0.000	0.000	0.000
914	B	465	ILE	0	-0.080	-0.014	42.733	0.413	0.413	0.000	0.000	0.000	0.000
915	B	466	LYS	1	0.965	0.973	42.711	-25.840	-25.840	0.000	0.000	0.000	0.000
916	B	467	PHE	0	-0.003	0.004	37.225	0.280	0.280	0.000	0.000	0.000	0.000
917	B	468	GLU	-1	-0.901	-0.948	38.457	28.552	28.552	0.000	0.000	0.000	0.000
918	B	469	PHE	0	-0.001	-0.002	35.864	0.088	0.088	0.000	0.000	0.000	0.000
919	I	1	MME	1	0.842	0.903	18.344	-49.509	-49.509	0.000	0.000	0.000	0.000
920	I	2	MET	0	0.026	0.040	21.319	-1.479	-1.479	0.000	0.000	0.000	0.000
921	I	3	VAL	0	0.046	0.026	20.727	2.535	2.535	0.000	0.000	0.000	0.000
922	I	4	TRP	0	0.050	0.024	19.746	-1.706	-1.706	0.000	0.000	0.000	0.000
923	I	5	THR	0	0.000	-0.002	21.740	0.257	0.257	0.000	0.000	0.000	0.000
924	I	6	PRO	0	0.025	0.017	24.130	0.762	0.762	0.000	0.000	0.000	0.000
925	I	7	VAL	0	-0.053	-0.012	25.176	-0.634	-0.634	0.000	0.000	0.000	0.000
926	I	8	ASN	0	-0.049	-0.017	28.741	-0.042	-0.042	0.000	0.000	0.000	0.000
927	I	9	ASN	0	0.003	-0.026	23.625	-1.996	-1.996	0.000	0.000	0.000	0.000
928	I	10	LYS	1	0.942	0.998	24.715	-39.428	-39.428	0.000	0.000	0.000	0.000
929	I	11	MET	0	-0.085	-0.030	21.670	-1.357	-1.357	0.000	0.000	0.000	0.000
930	I	12	PHE	0	-0.035	-0.055	24.277	-1.214	-1.214	0.000	0.000	0.000	0.000
931	I	13	GLU	-1	-0.802	-0.895	20.793	56.067	56.067	0.000	0.000	0.000	0.000
932	I	14	THR	0	-0.031	-0.022	21.540	1.082	1.082	0.000	0.000	0.000	0.000
933	I	15	PHE	0	-0.011	-0.012	21.775	-2.366	-2.366	0.000	0.000	0.000	0.000
934	I	16	SER	0	-0.075	-0.012	23.072	-1.438	-1.438	0.000	0.000	0.000	0.000
935	I	17	TYR	0	0.029	-0.013	18.759	-0.823	-0.823	0.000	0.000	0.000	0.000
936	I	18	LEU	0	-0.077	-0.017	21.281	0.490	0.490	0.000	0.000	0.000	0.000
937	I	19	PRO	0	-0.045	-0.033	23.771	-1.054	-1.054	0.000	0.000	0.000	0.000
938	I	20	PRO	0	-0.049	-0.032	27.391	0.109	0.109	0.000	0.000	0.000	0.000
939	I	21	LEU	0	0.022	0.022	27.352	-0.350	-0.350	0.000	0.000	0.000	0.000
940	I	22	THR	0	0.024	0.019	31.102	-1.017	-1.017	0.000	0.000	0.000	0.000
941	I	23	ASP	-1	-0.890	-0.962	34.282	32.234	32.234	0.000	0.000	0.000	0.000
942	I	24	GLU	-1	-0.970	-0.986	35.015	33.865	33.865	0.000	0.000	0.000	0.000
943	I	25	GLN	0	0.049	0.020	29.142	-0.151	-0.151	0.000	0.000	0.000	0.000
944	I	26	ILE	0	-0.032	-0.017	31.643	1.033	1.033	0.000	0.000	0.000	0.000
945	I	27	ALA	0	-0.005	-0.010	33.327	0.311	0.311	0.000	0.000	0.000	0.000
946	I	28	ALA	0	0.067	0.047	31.696	-0.018	-0.018	0.000	0.000	0.000	0.000
947	I	29	GLN	0	0.016	0.009	26.869	1.420	1.420	0.000	0.000	0.000	0.000
948	I	30	VAL	0	-0.029	-0.023	31.117	0.242	0.242	0.000	0.000	0.000	0.000
949	I	31	ASP	-1	-0.897	-0.937	34.239	33.999	33.999	0.000	0.000	0.000	0.000
950	I	32	TYR	0	0.007	0.007	24.583	0.004	0.004	0.000	0.000	0.000	0.000
951	I	33	ILE	0	-0.025	-0.019	30.799	0.381	0.381	0.000	0.000	0.000	0.000
952	I	34	VAL	0	-0.040	-0.026	32.012	-0.189	-0.189	0.000	0.000	0.000	0.000
953	I	35	ALA	0	-0.057	-0.027	32.137	-0.505	-0.505	0.000	0.000	0.000	0.000
954	I	36	ASN	0	-0.063	-0.037	28.234	0.510	0.510	0.000	0.000	0.000	0.000
955	I	37	GLY	0	-0.052	-0.006	31.036	0.200	0.200	0.000	0.000	0.000	0.000
956	I	38	TRP	0	-0.011	-0.001	25.739	-0.363	-0.363	0.000	0.000	0.000	0.000
957	I	39	ILE	0	-0.035	-0.017	32.082	-1.143	-1.143	0.000	0.000	0.000	0.000
958	I	40	PRO	0	0.041	0.037	33.377	1.022	1.022	0.000	0.000	0.000	0.000
959	I	41	CYS	0	-0.022	-0.015	34.781	-1.408	-1.408	0.000	0.000	0.000	0.000
960	I	42	LEU	0	0.003	0.017	35.263	0.749	0.749	0.000	0.000	0.000	0.000
961	I	43	GLU	-1	-0.837	-0.904	32.720	37.688	37.688	0.000	0.000	0.000	0.000
962	I	44	PHE	0	-0.006	-0.019	35.923	0.247	0.247	0.000	0.000	0.000	0.000
963	I	45	ALA	0	0.035	0.016	35.276	-0.152	-0.152	0.000	0.000	0.000	0.000
964	I	46	GLU	-1	-0.924	-0.962	37.347	29.972	29.972	0.000	0.000	0.000	0.000
965	I	47	ALA	0	-0.009	-0.028	36.901	0.852	0.852	0.000	0.000	0.000	0.000
966	I	48	ASP	-1	-0.880	-0.919	35.782	32.097	32.097	0.000	0.000	0.000	0.000
967	I	49	LYS	1	0.930	0.957	34.841	-31.101	-31.101	0.000	0.000	0.000	0.000
968	I	50	ALA	0	-0.014	0.007	32.678	0.559	0.559	0.000	0.000	0.000	0.000
969	I	51	TYR	0	0.005	-0.008	27.676	1.660	1.660	0.000	0.000	0.000	0.000
970	I	52	VAL	0	0.001	0.011	24.863	-0.864	-0.864	0.000	0.000	0.000	0.000
971	I	53	SER	0	-0.038	-0.021	28.192	0.300	0.300	0.000	0.000	0.000	0.000
972	I	54	ASN	0	0.005	-0.010	27.507	1.864	1.864	0.000	0.000	0.000	0.000
973	I	55	GLU	-1	-0.876	-0.926	30.687	34.798	34.798	0.000	0.000	0.000	0.000
974	I	56	SER	0	-0.025	-0.011	34.004	-1.353	-1.353	0.000	0.000	0.000	0.000
975	I	57	ALA	0	-0.006	-0.006	30.825	-0.410	-0.410	0.000	0.000	0.000	0.000
976	I	58	ILE	0	-0.025	-0.002	32.850	-0.004	-0.004	0.000	0.000	0.000	0.000
977	I	59	ARG	1	0.898	0.942	35.817	-30.984	-30.984	0.000	0.000	0.000	0.000
978	I	60	PHE	0	-0.052	-0.006	30.660	-0.324	-0.324	0.000	0.000	0.000	0.000
979	I	61	GLY	0	0.051	0.035	33.337	-0.496	-0.496	0.000	0.000	0.000	0.000
980	I	62	SER	0	0.017	-0.012	28.341	0.258	0.258	0.000	0.000	0.000	0.000
981	I	63	VAL	0	-0.044	-0.030	27.631	1.346	1.346	0.000	0.000	0.000	0.000
982	I	64	SER	0	0.037	0.018	26.848	-0.395	-0.395	0.000	0.000	0.000	0.000
983	I	65	CYS	0	-0.033	0.024	21.578	0.450	0.450	0.000	0.000	0.000	0.000
984	I	66	LEU	0	-0.018	-0.004	19.517	-0.560	-0.560	0.000	0.000	0.000	0.000
985	I	67	TYR	0	-0.114	-0.051	23.629	-1.130	-1.130	0.000	0.000	0.000	0.000
986	I	68	TYR	0	0.038	0.001	21.583	0.871	0.871	0.000	0.000	0.000	0.000
987	I	69	ASP	-1	-0.800	-0.911	28.011	35.965	35.965	0.000	0.000	0.000	0.000
988	I	70	ASN	0	-0.029	-0.037	30.176	0.058	0.058	0.000	0.000	0.000	0.000
989	I	71	ARG	1	0.922	0.978	25.352	-44.436	-44.436	0.000	0.000	0.000	0.000
990	I	72	TYR	0	-0.025	-0.010	29.838	0.142	0.142	0.000	0.000	0.000	0.000
991	I	73	TRP	0	-0.023	-0.002	31.333	-0.447	-0.447	0.000	0.000	0.000	0.000
992	I	74	THR	0	-0.017	-0.012	35.290	-0.449	-0.449	0.000	0.000	0.000	0.000
993	I	75	MET	0	0.017	0.019	37.093	0.065	0.065	0.000	0.000	0.000	0.000
994	I	76	TRP	0	-0.034	-0.033	39.329	-1.126	-1.126	0.000	0.000	0.000	0.000
995	I	77	LYS	1	0.792	0.903	41.331	-27.266	-27.266	0.000	0.000	0.000	0.000
996	I	78	LEU	0	0.029	0.003	41.074	0.088	0.088	0.000	0.000	0.000	0.000
997	I	79	PRO	0	0.028	0.008	36.570	0.054	0.054	0.000	0.000	0.000	0.000
998	I	80	MET	0	-0.046	-0.016	38.370	-0.722	-0.722	0.000	0.000	0.000	0.000
999	I	81	PHE	0	0.070	0.024	36.493	0.529	0.529	0.000	0.000	0.000	0.000
1000	I	82	GLY	0	0.002	0.009	38.438	-0.764	-0.764	0.000	0.000	0.000	0.000
1001	I	83	CYS	0	-0.032	-0.001	39.973	-0.436	-0.436	0.000	0.000	0.000	0.000
1002	I	84	ARG	1	0.927	0.947	38.191	-29.945	-29.945	0.000	0.000	0.000	0.000
1003	I	85	ASP	-1	-0.859	-0.942	40.395	28.237	28.237	0.000	0.000	0.000	0.000
1004	I	86	PRO	0	0.089	0.037	38.818	-0.096	-0.096	0.000	0.000	0.000	0.000
1005	I	87	MET	0	-0.002	0.000	40.336	0.056	0.056	0.000	0.000	0.000	0.000
1006	I	88	GLN	0	-0.038	-0.025	43.312	-0.313	-0.313	0.000	0.000	0.000	0.000
1007	I	89	VAL	0	0.048	0.025	37.244	-0.257	-0.257	0.000	0.000	0.000	0.000
1008	I	90	LEU	0	0.049	0.022	38.097	-0.013	-0.013	0.000	0.000	0.000	0.000
1009	I	91	ARG	1	0.924	0.959	40.731	-27.310	-27.310	0.000	0.000	0.000	0.000
1010	I	92	GLU	-1	-0.790	-0.898	41.786	27.670	27.670	0.000	0.000	0.000	0.000
1011	I	93	ILE	0	0.020	0.019	36.714	-0.060	-0.060	0.000	0.000	0.000	0.000
1012	I	94	VAL	0	-0.010	0.005	40.298	-0.260	-0.260	0.000	0.000	0.000	0.000
1013	I	95	ALA	0	-0.050	-0.031	43.275	-0.458	-0.458	0.000	0.000	0.000	0.000
1014	I	96	CYS	0	-0.042	-0.001	40.817	-0.240	-0.240	0.000	0.000	0.000	0.000
1015	I	97	THR	0	0.030	0.000	39.444	-0.466	-0.466	0.000	0.000	0.000	0.000
1016	I	98	LYS	1	0.873	0.943	42.068	-26.876	-26.876	0.000	0.000	0.000	0.000
1017	I	99	ALA	0	-0.023	-0.010	45.572	-0.489	-0.489	0.000	0.000	0.000	0.000
1018	I	100	PHE	0	-0.016	-0.005	42.243	-0.385	-0.385	0.000	0.000	0.000	0.000
1019	I	101	PRO	0	0.014	0.007	42.027	0.771	0.771	0.000	0.000	0.000	0.000
1020	I	102	ASP	-1	-0.923	-0.980	41.713	28.986	28.986	0.000	0.000	0.000	0.000
1021	I	103	ALA	0	-0.068	-0.010	39.127	0.422	0.422	0.000	0.000	0.000	0.000
1022	I	104	TYR	0	0.012	-0.005	32.250	0.453	0.453	0.000	0.000	0.000	0.000
1023	I	105	VAL	0	-0.007	-0.011	35.162	-0.437	-0.437	0.000	0.000	0.000	0.000
1024	I	106	ARG	1	0.853	0.930	29.824	-39.406	-39.406	0.000	0.000	0.000	0.000
1025	I	107	LEU	0	0.005	0.015	32.083	-1.182	-1.182	0.000	0.000	0.000	0.000
1026	I	108	VAL	0	0.007	0.001	30.123	1.468	1.468	0.000	0.000	0.000	0.000
1027	I	109	ALA	0	0.033	0.003	29.695	-1.488	-1.488	0.000	0.000	0.000	0.000
1028	I	110	PHE	0	-0.021	-0.008	28.972	1.552	1.552	0.000	0.000	0.000	0.000
1029	I	111	ASP	-1	-0.796	-0.903	26.338	42.579	42.579	0.000	0.000	0.000	0.000
1030	I	112	ASN	0	-0.033	-0.040	28.877	0.598	0.598	0.000	0.000	0.000	0.000
1031	I	113	GLN	0	-0.031	-0.001	28.063	-1.262	-1.262	0.000	0.000	0.000	0.000
1032	I	114	LYS	1	0.893	0.946	20.675	-53.816	-53.816	0.000	0.000	0.000	0.000
1033	I	115	GLN	0	-0.077	-0.030	25.756	-0.282	-0.282	0.000	0.000	0.000	0.000
1034	I	116	VAL	0	0.037	0.022	23.085	0.852	0.852	0.000	0.000	0.000	0.000
1035	I	117	GLN	0	-0.007	-0.004	26.330	-0.407	-0.407	0.000	0.000	0.000	0.000
1036	I	118	ILE	0	-0.017	-0.022	23.176	2.209	2.209	0.000	0.000	0.000	0.000
1037	I	119	MET	0	0.012	-0.004	24.461	1.532	1.532	0.000	0.000	0.000	0.000
1038	I	120	GLY	0	0.036	0.017	26.209	-1.723	-1.723	0.000	0.000	0.000	0.000
1039	I	121	PHE	0	-0.017	0.009	26.110	1.615	1.615	0.000	0.000	0.000	0.000
1040	I	122	LEU	0	-0.038	-0.024	28.085	-1.468	-1.468	0.000	0.000	0.000	0.000
1041	I	123	VAL	0	-0.014	-0.018	30.467	0.091	0.091	0.000	0.000	0.000	0.000
1042	I	124	GLN	0	-0.039	-0.002	33.775	-1.037	-1.037	0.000	0.000	0.000	0.000
1043	I	125	ARG	1	0.928	0.981	28.861	-38.298	-38.298	0.000	0.000	0.000	0.000
1044	I	126	PRO	0	0.073	0.052	35.110	-0.670	-0.670	0.000	0.000	0.000	0.000
1045	I	127	LYS	1	0.959	0.951	37.553	-29.831	-29.831	0.000	0.000	0.000	0.000
1046	I	128	THR	0	-0.007	-0.002	39.631	0.410	0.410	0.000	0.000	0.000	0.000
1047	I	129	ALA	0	-0.015	0.012	34.616	0.021	0.021	0.000	0.000	0.000	0.000
1048	I	130	ARG	1	0.958	0.962	35.732	-30.877	-30.877	0.000	0.000	0.000	0.000
1049	I	131	ASP	-1	-0.946	-0.981	31.210	37.243	37.243	0.000	0.000	0.000	0.000
1050	I	132	PHE	0	0.051	0.025	29.237	1.350	1.350	0.000	0.000	0.000	0.000
1051	I	133	GLN	0	0.027	0.005	27.476	-1.300	-1.300	0.000	0.000	0.000	0.000
1052	I	134	PRO	0	-0.039	-0.024	28.581	0.744	0.744	0.000	0.000	0.000	0.000
1053	I	135	ALA	0	0.052	0.014	26.243	0.556	0.556	0.000	0.000	0.000	0.000
1054	I	136	ASN	0	0.011	0.009	25.989	1.163	1.163	0.000	0.000	0.000	0.000
1055	I	137	LYS	1	0.907	0.953	27.995	-35.104	-35.104	0.000	0.000	0.000	0.000
1056	I	138	ARG	1	0.918	0.993	23.388	-46.845	-46.845	0.000	0.000	0.000	0.000
1057	I	139	SER	0	0.016	0.000	22.625	0.552	0.552	0.000	0.000	0.000	0.000
1058	I	140	VAL	0	-0.048	-0.009	24.706	-1.659	-1.659	0.000	0.000	0.000	0.000
1059	J	1	MME	1	0.839	0.902	55.308	-20.407	-20.407	0.000	0.000	0.000	0.000
1060	J	2	MET	0	0.017	0.036	58.894	-0.242	-0.242	0.000	0.000	0.000	0.000
1061	J	3	VAL	0	0.053	0.026	57.907	0.405	0.405	0.000	0.000	0.000	0.000
1062	J	4	TRP	0	0.049	0.024	55.624	-0.420	-0.420	0.000	0.000	0.000	0.000
1063	J	5	THR	0	0.003	-0.002	57.678	0.154	0.154	0.000	0.000	0.000	0.000
1064	J	6	PRO	0	0.022	0.014	57.536	0.172	0.172	0.000	0.000	0.000	0.000
1065	J	7	VAL	0	-0.050	-0.010	58.788	0.035	0.035	0.000	0.000	0.000	0.000
1066	J	8	ASN	0	-0.043	-0.013	61.844	-0.178	-0.178	0.000	0.000	0.000	0.000
1067	J	9	ASN	0	0.017	-0.017	58.393	-0.419	-0.419	0.000	0.000	0.000	0.000
1068	J	10	LYS	1	0.934	0.995	57.857	-20.178	-20.178	0.000	0.000	0.000	0.000
1069	J	11	MET	0	-0.081	-0.024	54.926	-0.390	-0.390	0.000	0.000	0.000	0.000
1070	J	12	PHE	0	-0.034	-0.057	56.069	-0.122	-0.122	0.000	0.000	0.000	0.000
1071	J	13	GLU	-1	-0.799	-0.894	49.977	24.442	24.442	0.000	0.000	0.000	0.000
1072	J	14	THR	0	-0.021	-0.014	50.966	-0.177	-0.177	0.000	0.000	0.000	0.000
1073	J	15	PHE	0	-0.027	-0.021	52.973	-0.423	-0.423	0.000	0.000	0.000	0.000
1074	J	16	SER	0	-0.078	-0.021	55.195	-0.459	-0.459	0.000	0.000	0.000	0.000
1075	J	17	TYR	0	0.016	-0.020	53.085	-0.271	-0.271	0.000	0.000	0.000	0.000
1076	J	18	LEU	0	-0.071	-0.017	55.361	-0.114	-0.114	0.000	0.000	0.000	0.000
1077	J	19	PRO	0	-0.056	-0.034	58.155	-0.218	-0.218	0.000	0.000	0.000	0.000
1078	J	20	PRO	0	-0.049	-0.037	61.671	0.116	0.116	0.000	0.000	0.000	0.000
1079	J	21	LEU	0	0.010	0.021	59.407	-0.151	-0.151	0.000	0.000	0.000	0.000
1080	J	22	THR	0	0.035	0.019	63.565	-0.222	-0.222	0.000	0.000	0.000	0.000
1081	J	23	ASP	-1	-0.880	-0.960	65.746	18.099	18.099	0.000	0.000	0.000	0.000
1082	J	24	GLU	-1	-0.979	-0.988	65.943	18.562	18.562	0.000	0.000	0.000	0.000
1083	J	25	GLN	0	0.053	0.025	61.985	0.046	0.046	0.000	0.000	0.000	0.000
1084	J	26	ILE	0	-0.028	-0.010	61.731	0.403	0.403	0.000	0.000	0.000	0.000
1085	J	27	ALA	0	0.004	-0.010	62.363	0.260	0.260	0.000	0.000	0.000	0.000
1086	J	28	ALA	0	0.048	0.039	60.946	0.160	0.160	0.000	0.000	0.000	0.000
1087	J	29	GLN	0	0.032	0.014	56.320	0.734	0.734	0.000	0.000	0.000	0.000
1088	J	30	VAL	0	-0.035	-0.026	58.260	0.299	0.299	0.000	0.000	0.000	0.000
1089	J	31	ASP	-1	-0.895	-0.936	60.044	19.958	19.958	0.000	0.000	0.000	0.000
1090	J	32	TYR	0	0.005	0.003	50.154	0.315	0.315	0.000	0.000	0.000	0.000
1091	J	33	ILE	0	-0.007	-0.002	55.297	0.388	0.388	0.000	0.000	0.000	0.000
1092	J	34	VAL	0	-0.044	-0.026	55.984	0.215	0.215	0.000	0.000	0.000	0.000
1093	J	35	ALA	0	-0.070	-0.032	56.254	0.106	0.106	0.000	0.000	0.000	0.000
1094	J	36	ASN	0	-0.062	-0.039	51.241	0.583	0.583	0.000	0.000	0.000	0.000
1095	J	37	GLY	0	-0.050	-0.010	52.324	0.378	0.378	0.000	0.000	0.000	0.000
1096	J	38	TRP	0	-0.018	-0.001	48.870	-0.108	-0.108	0.000	0.000	0.000	0.000
1097	J	39	ILE	0	-0.019	-0.011	53.347	-0.489	-0.489	0.000	0.000	0.000	0.000
1098	J	40	PRO	0	0.031	0.034	55.776	0.216	0.216	0.000	0.000	0.000	0.000
1099	J	41	CYS	0	-0.018	-0.015	57.774	-0.223	-0.223	0.000	0.000	0.000	0.000
1100	J	42	LEU	0	0.005	0.021	59.584	0.061	0.061	0.000	0.000	0.000	0.000
1101	J	43	GLU	-1	-0.836	-0.902	56.346	22.018	22.018	0.000	0.000	0.000	0.000
1102	J	44	PHE	0	-0.011	-0.022	60.974	-0.132	-0.132	0.000	0.000	0.000	0.000
1103	J	45	ALA	0	0.040	0.021	61.416	0.142	0.142	0.000	0.000	0.000	0.000
1104	J	46	GLU	-1	-0.929	-0.962	63.535	18.419	18.419	0.000	0.000	0.000	0.000
1105	J	47	ALA	0	-0.005	-0.025	64.420	0.269	0.269	0.000	0.000	0.000	0.000
1106	J	48	ASP	-1	-0.883	-0.922	64.015	18.940	18.940	0.000	0.000	0.000	0.000
1107	J	49	LYS	1	0.933	0.960	60.972	-19.593	-19.593	0.000	0.000	0.000	0.000
1108	J	50	ALA	0	-0.005	0.004	60.114	0.249	0.249	0.000	0.000	0.000	0.000
1109	J	51	TYR	0	0.006	-0.007	56.940	0.407	0.407	0.000	0.000	0.000	0.000
1110	J	52	VAL	0	-0.002	0.012	51.365	-0.048	-0.048	0.000	0.000	0.000	0.000
1111	J	53	SER	0	-0.049	-0.030	54.637	-0.124	-0.124	0.000	0.000	0.000	0.000
1112	J	54	ASN	0	-0.014	-0.026	51.330	0.100	0.100	0.000	0.000	0.000	0.000
1113	J	55	GLU	-1	-0.825	-0.892	54.142	21.277	21.277	0.000	0.000	0.000	0.000
1114	J	56	SER	0	-0.044	-0.022	54.939	-0.304	-0.304	0.000	0.000	0.000	0.000
1115	J	57	ALA	0	-0.006	-0.003	51.197	0.184	0.184	0.000	0.000	0.000	0.000
1116	J	58	ILE	0	-0.022	0.001	52.571	0.222	0.222	0.000	0.000	0.000	0.000
1117	J	59	ARG	1	0.898	0.942	54.307	-21.791	-21.791	0.000	0.000	0.000	0.000
1118	J	60	PHE	0	-0.047	-0.008	48.899	0.204	0.204	0.000	0.000	0.000	0.000
1119	J	61	GLY	0	0.042	0.029	47.478	-0.196	-0.196	0.000	0.000	0.000	0.000
1120	J	62	SER	0	0.025	-0.007	43.156	-0.316	-0.316	0.000	0.000	0.000	0.000
1121	J	63	VAL	0	-0.040	-0.029	42.656	0.678	0.678	0.000	0.000	0.000	0.000
1122	J	64	SER	0	0.033	0.020	44.621	-0.131	-0.131	0.000	0.000	0.000	0.000
1123	J	65	CYS	0	-0.027	0.017	41.321	-0.180	-0.180	0.000	0.000	0.000	0.000
1124	J	66	LEU	0	-0.015	-0.003	40.573	-0.005	-0.005	0.000	0.000	0.000	0.000
1125	J	67	TYR	0	-0.113	-0.048	44.526	-0.024	-0.024	0.000	0.000	0.000	0.000
1126	J	68	TYR	0	0.025	-0.007	46.005	0.050	0.050	0.000	0.000	0.000	0.000
1127	J	69	ASP	-1	-0.798	-0.909	51.008	22.472	22.472	0.000	0.000	0.000	0.000
1128	J	70	ASN	0	-0.040	-0.042	54.576	-0.085	-0.085	0.000	0.000	0.000	0.000
1129	J	71	ARG	1	0.929	0.981	47.385	-25.282	-25.282	0.000	0.000	0.000	0.000
1130	J	72	TYR	0	-0.024	-0.010	51.230	-0.025	-0.025	0.000	0.000	0.000	0.000
1131	J	73	TRP	0	-0.027	-0.005	55.832	-0.367	-0.367	0.000	0.000	0.000	0.000
1132	J	74	THR	0	-0.041	-0.017	59.144	0.092	0.092	0.000	0.000	0.000	0.000
1133	J	75	MET	0	0.027	0.020	57.644	-0.059	-0.059	0.000	0.000	0.000	0.000
1134	J	76	TRP	0	-0.032	-0.042	61.637	-0.423	-0.423	0.000	0.000	0.000	0.000
1135	J	77	LYS	1	0.811	0.911	63.857	-17.925	-17.925	0.000	0.000	0.000	0.000
1136	J	78	LEU	0	0.018	0.003	60.888	0.181	0.181	0.000	0.000	0.000	0.000
1137	J	79	PRO	0	0.030	0.008	57.353	-0.151	-0.151	0.000	0.000	0.000	0.000
1138	J	80	MET	0	-0.026	-0.012	59.805	-0.149	-0.149	0.000	0.000	0.000	0.000
1139	J	81	PHE	0	0.075	0.028	55.489	0.161	0.161	0.000	0.000	0.000	0.000
1140	J	82	GLY	0	-0.006	0.008	58.194	-0.280	-0.280	0.000	0.000	0.000	0.000
1141	J	83	CYS	0	-0.017	0.002	59.560	-0.350	-0.350	0.000	0.000	0.000	0.000
1142	J	84	ARG	1	0.911	0.941	58.470	-20.621	-20.621	0.000	0.000	0.000	0.000
1143	J	85	ASP	-1	-0.877	-0.948	62.173	18.301	18.301	0.000	0.000	0.000	0.000
1144	J	86	PRO	0	0.089	0.040	63.133	-0.102	-0.102	0.000	0.000	0.000	0.000
1145	J	87	MET	0	0.006	0.004	64.888	-0.120	-0.120	0.000	0.000	0.000	0.000
1146	J	88	GLN	0	-0.057	-0.039	66.911	-0.151	-0.151	0.000	0.000	0.000	0.000
1147	J	89	VAL	0	0.053	0.030	62.343	-0.082	-0.082	0.000	0.000	0.000	0.000
1148	J	90	LEU	0	0.056	0.023	65.490	-0.067	-0.067	0.000	0.000	0.000	0.000
1149	J	91	ARG	1	0.915	0.957	67.616	-17.703	-17.703	0.000	0.000	0.000	0.000
1150	J	92	GLU	-1	-0.783	-0.890	66.492	18.001	18.001	0.000	0.000	0.000	0.000
1151	J	93	ILE	0	0.027	0.022	64.076	-0.004	-0.004	0.000	0.000	0.000	0.000
1152	J	94	VAL	0	-0.032	-0.006	67.371	-0.171	-0.171	0.000	0.000	0.000	0.000
1153	J	95	ALA	0	-0.054	-0.038	70.508	-0.171	-0.171	0.000	0.000	0.000	0.000
1154	J	96	CYS	0	-0.028	0.007	67.053	-0.099	-0.099	0.000	0.000	0.000	0.000
1155	J	97	THR	0	0.028	0.000	68.283	-0.196	-0.196	0.000	0.000	0.000	0.000
1156	J	98	LYS	1	0.877	0.944	70.421	-16.792	-16.792	0.000	0.000	0.000	0.000
1157	J	99	ALA	0	-0.020	-0.009	71.636	-0.211	-0.211	0.000	0.000	0.000	0.000
1158	J	100	PHE	0	-0.016	-0.006	69.363	-0.084	-0.084	0.000	0.000	0.000	0.000
1159	J	101	PRO	0	0.008	0.005	70.352	0.220	0.220	0.000	0.000	0.000	0.000
1160	J	102	ASP	-1	-0.917	-0.980	71.264	17.179	17.179	0.000	0.000	0.000	0.000
1161	J	103	ALA	0	-0.070	-0.011	66.510	0.155	0.155	0.000	0.000	0.000	0.000
1162	J	104	TYR	0	0.000	-0.008	62.417	-0.072	-0.072	0.000	0.000	0.000	0.000
1163	J	105	VAL	0	0.009	-0.007	63.403	0.036	0.036	0.000	0.000	0.000	0.000
1164	J	106	ARG	1	0.866	0.936	55.825	-21.949	-21.949	0.000	0.000	0.000	0.000
1165	J	107	LEU	0	-0.006	0.010	58.949	-0.176	-0.176	0.000	0.000	0.000	0.000
1166	J	108	VAL	0	0.006	0.001	54.692	0.287	0.287	0.000	0.000	0.000	0.000
1167	J	109	ALA	0	0.023	-0.002	53.878	-0.351	-0.351	0.000	0.000	0.000	0.000
1168	J	110	PHE	0	-0.017	-0.009	51.304	0.466	0.466	0.000	0.000	0.000	0.000
1169	J	111	ASP	-1	-0.803	-0.904	46.630	25.773	25.773	0.000	0.000	0.000	0.000
1170	J	112	ASN	0	-0.022	-0.033	48.536	0.170	0.170	0.000	0.000	0.000	0.000
1171	J	113	GLN	0	-0.031	-0.004	45.024	0.016	0.016	0.000	0.000	0.000	0.000
1172	J	114	LYS	1	0.882	0.934	41.805	-27.716	-27.716	0.000	0.000	0.000	0.000
1173	J	115	GLN	0	-0.088	-0.033	43.600	-0.219	-0.219	0.000	0.000	0.000	0.000
1174	J	116	VAL	0	0.035	0.020	44.707	0.323	0.323	0.000	0.000	0.000	0.000
1175	J	117	GLN	0	-0.011	-0.006	46.889	-0.530	-0.530	0.000	0.000	0.000	0.000
1176	J	118	ILE	0	-0.016	-0.024	46.616	0.524	0.524	0.000	0.000	0.000	0.000
1177	J	119	MET	0	0.002	-0.008	49.271	-0.009	-0.009	0.000	0.000	0.000	0.000
1178	J	120	GLY	0	0.048	0.021	52.041	-0.196	-0.196	0.000	0.000	0.000	0.000
1179	J	121	PHE	0	-0.006	0.015	54.312	0.186	0.186	0.000	0.000	0.000	0.000
1180	J	122	LEU	0	-0.042	-0.022	57.093	-0.262	-0.262	0.000	0.000	0.000	0.000
1181	J	123	VAL	0	-0.014	-0.019	60.219	-0.066	-0.066	0.000	0.000	0.000	0.000
1182	J	124	GLN	0	-0.048	-0.009	63.651	-0.461	-0.461	0.000	0.000	0.000	0.000
1183	J	125	ARG	1	0.933	0.985	61.450	-19.352	-19.352	0.000	0.000	0.000	0.000
1184	J	126	PRO	0	0.068	0.054	65.874	-0.259	-0.259	0.000	0.000	0.000	0.000
1185	J	127	LYS	1	0.958	0.944	68.981	-17.034	-17.034	0.000	0.000	0.000	0.000
1186	J	128	THR	0	-0.006	-0.002	71.414	0.039	0.039	0.000	0.000	0.000	0.000
1187	J	129	ALA	0	-0.012	0.018	66.249	0.010	0.010	0.000	0.000	0.000	0.000
1188	J	130	ARG	1	0.956	0.958	67.867	-17.478	-17.478	0.000	0.000	0.000	0.000
1189	J	131	ASP	-1	-0.947	-0.984	62.904	19.433	19.433	0.000	0.000	0.000	0.000
1190	J	132	PHE	0	0.054	0.030	62.459	0.345	0.345	0.000	0.000	0.000	0.000
1191	J	133	GLN	0	0.026	0.003	62.385	-0.480	-0.480	0.000	0.000	0.000	0.000
1192	J	134	PRO	0	-0.044	-0.025	63.310	0.166	0.166	0.000	0.000	0.000	0.000
1193	J	135	ALA	0	0.054	0.013	61.971	0.060	0.060	0.000	0.000	0.000	0.000
1194	J	136	ASN	0	0.009	0.007	62.209	0.226	0.226	0.000	0.000	0.000	0.000
1195	J	137	LYS	1	0.903	0.952	64.680	-17.829	-17.829	0.000	0.000	0.000	0.000
1196	J	138	ARG	1	0.919	0.993	58.892	-20.595	-20.595	0.000	0.000	0.000	0.000
1197	J	139	SER	0	0.008	-0.001	59.284	0.168	0.168	0.000	0.000	0.000	0.000
1198	J	140	VAL	0	-0.042	-0.008	61.225	-0.348	-0.348	0.000	0.000	0.000	0.000
1200	B	1471	CAP	-4	-3.106	-3.522	28.141	141.259	141.259	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1199(A:1471:CAP)