FMO DATABASE

FMODB ID: 829QY

Calculation Name: 3WQP-AC-Xray434

Preferred Name:

Target Type:

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

ligand 3-letter code: CAP

PDB ID: 3WQP

Chain ID: AC

ChEMBL ID:

UniProt ID: O93627

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	879
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-26629051.834563
FMO2-HF: Nuclear repulsion	26284458.522207
FMO2-HF: Total energy	-344593.312355
FMO2-MP2: Total energy	-345607.429496

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.
-393.125	-391.618	174.679	-89.751	-86.429	-0.747

Interactive mode: IFIE and PIEDA for fragment #439(A:502:CAP)

Summations of interaction energy for fragment #439(A:502: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.
-393.125	-391.618	174.679	-89.751	-86.429	0.747

Interaction energy analysis for fragmet #439(A:502:CAP)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : -4 / q_Mulliken : -3.233 / q_NPA : -3.682

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].
154	A	161	VAL	0	0.052	0.032	2.590	-12.827	-11.319	0.323	-0.632	-1.198	0.002
155	A	162	PRO	0	-0.037	-0.022	5.058	11.526	11.639	-0.001	-0.003	-0.109	0.000
156	A	163	LYS	1	0.820	0.912	2.089	-227.985	-225.454	8.225	-4.563	-6.194	0.070
158	A	165	LYS	1	0.788	0.892	4.476	-157.102	-156.772	-0.001	-0.088	-0.241	0.000
182	A	189	KCX	-1	-0.559	-0.815	1.507	172.596	158.627	36.719	-15.513	-7.237	-0.112
184	A	191	ASP	0	0.246	0.072	4.618	6.423	6.551	-0.002	-0.020	-0.106	0.000
185	A	192	GLU	0	0.263	0.045	4.148	-14.451	-14.107	-0.001	-0.073	-0.269	0.000
275	A	281	HIS	0	0.047	-0.002	1.905	-1.404	-1.401	7.475	-3.134	-4.344	0.014
276	A	282	ARG	1	0.771	0.840	1.726	-274.758	-277.003	27.103	-14.985	-9.873	0.194
279	A	285	HIS	1	0.822	0.885	3.416	-171.367	-170.023	0.054	-0.624	-0.774	0.005
308	A	314	HIS	0	0.026	0.023	1.713	-59.753	-61.785	16.615	-8.031	-6.552	0.099
309	A	315	VAL	0	0.005	-0.002	4.750	-8.716	-8.528	-0.001	-0.026	-0.162	0.000
310	A	316	GLY	0	0.049	0.014	3.645	-7.815	-7.040	0.016	-0.400	-0.390	0.003
311	A	317	THR	0	0.015	0.017	4.632	-17.092	-16.926	-0.001	-0.019	-0.146	0.000
316	A	322	LYS	1	0.795	0.885	2.029	-270.762	-267.595	6.683	-4.937	-4.913	0.071
317	A	323	LEU	0	-0.017	-0.008	2.422	-20.712	-18.205	3.138	-2.015	-3.630	0.022
318	A	324	GLU	-1	-0.998	-1.008	5.734	95.415	95.493	-0.001	-0.001	-0.076	0.000
359	A	365	THR	0	-0.032	-0.011	4.966	-5.720	-5.670	-0.001	-0.003	-0.047	0.000
360	A	366	SER	0	-0.030	-0.031	4.952	15.685	15.855	-0.001	-0.007	-0.161	0.000
361	A	367	SER	0	0.033	-0.007	1.944	-35.564	-31.298	9.762	-6.830	-7.198	0.050
362	A	368	GLY	0	0.080	0.051	2.143	7.837	11.414	5.933	-4.455	-5.055	0.020
363	A	369	GLY	0	-0.059	-0.038	1.728	-53.584	-60.872	15.532	-3.626	-4.617	0.076
364	A	370	LEU	0	-0.043	-0.012	3.656	-34.836	-33.749	0.032	-0.428	-0.691	0.007
365	A	371	HIS	0	0.015	-0.026	5.056	7.237	7.383	-0.001	-0.007	-0.138	0.000
383	A	389	GLN	0	0.060	0.013	2.212	-37.252	-34.059	4.393	-3.287	-4.299	0.026
384	A	390	LEU	0	-0.059	-0.020	3.312	15.878	17.156	0.073	-0.588	-0.762	0.003
385	A	391	GLY	0	0.126	0.090	1.835	-39.021	-41.854	11.314	-4.845	-3.636	0.062
386	A	392	GLY	0	0.017	-0.018	1.905	-51.929	-54.390	8.519	-2.560	-3.498	0.057
387	A	393	GLY	0	-0.061	-0.029	3.737	-31.313	-30.615	0.026	-0.342	-0.381	0.005
487	C	54	THR	0	-0.027	-0.028	1.895	0.866	-0.440	7.590	-3.464	-2.819	0.046
488	C	55	TRP	0	-0.013	0.002	2.668	-54.666	-51.269	2.338	-2.496	-3.240	0.032
544	C	111	ASN	0	0.043	-0.019	2.520	-4.796	-2.289	2.828	-1.742	-3.592	-0.005
545	C	112	ILE	0	-0.003	0.009	4.839	4.237	4.327	-0.001	-0.007	-0.081	0.000
1	A	8	ILE	0	-0.026	-0.015	39.434	0.058	0.058	0.000	0.000	0.000	0.000
2	A	9	TYR	0	-0.038	-0.045	35.341	0.065	0.065	0.000	0.000	0.000	0.000
3	A	10	ASP	-1	-0.946	-0.973	37.723	28.412	28.412	0.000	0.000	0.000	0.000
4	A	11	TYR	0	0.015	0.013	39.235	-0.211	-0.211	0.000	0.000	0.000	0.000
5	A	12	TYR	0	-0.048	-0.044	34.901	-0.261	-0.261	0.000	0.000	0.000	0.000
6	A	13	VAL	0	-0.056	-0.020	35.286	1.113	1.113	0.000	0.000	0.000	0.000
7	A	14	ASP	-1	-0.889	-0.958	36.559	28.259	28.259	0.000	0.000	0.000	0.000
8	A	15	LYS	1	0.826	0.897	36.271	-30.798	-30.798	0.000	0.000	0.000	0.000
9	A	16	GLY	0	-0.023	0.013	37.780	0.133	0.133	0.000	0.000	0.000	0.000
10	A	17	TYR	0	-0.078	-0.049	34.391	-0.705	-0.705	0.000	0.000	0.000	0.000
11	A	18	GLU	-1	-0.923	-0.963	36.451	32.203	32.203	0.000	0.000	0.000	0.000
12	A	19	PRO	0	-0.008	0.009	32.089	-0.240	-0.240	0.000	0.000	0.000	0.000
13	A	20	SER	0	-0.017	-0.016	34.228	-0.146	-0.146	0.000	0.000	0.000	0.000
14	A	21	LYS	1	0.960	0.961	28.324	-38.842	-38.842	0.000	0.000	0.000	0.000
15	A	22	LYS	1	0.798	0.900	31.150	-34.699	-34.699	0.000	0.000	0.000	0.000
16	A	23	ARG	1	0.966	0.975	33.035	-29.800	-29.800	0.000	0.000	0.000	0.000
17	A	24	ASP	-1	-0.730	-0.819	31.189	33.864	33.864	0.000	0.000	0.000	0.000
18	A	25	ILE	0	0.003	0.003	25.250	0.917	0.917	0.000	0.000	0.000	0.000
19	A	26	ILE	0	-0.060	-0.019	26.188	-1.016	-1.016	0.000	0.000	0.000	0.000
20	A	27	ALA	0	0.017	0.030	23.388	1.938	1.938	0.000	0.000	0.000	0.000
21	A	28	VAL	0	-0.013	-0.004	21.866	-1.918	-1.918	0.000	0.000	0.000	0.000
22	A	29	PHE	0	0.038	0.009	21.569	2.585	2.585	0.000	0.000	0.000	0.000
23	A	30	ARG	1	0.879	0.946	19.537	-53.199	-53.199	0.000	0.000	0.000	0.000
24	A	31	VAL	0	-0.005	-0.011	22.697	0.679	0.679	0.000	0.000	0.000	0.000
25	A	32	THR	0	0.015	0.000	24.423	-0.608	-0.608	0.000	0.000	0.000	0.000
26	A	33	PRO	0	0.014	0.013	26.665	0.253	0.253	0.000	0.000	0.000	0.000
27	A	34	ALA	0	-0.063	-0.018	30.152	0.373	0.373	0.000	0.000	0.000	0.000
28	A	35	GLU	-1	-0.938	-0.990	31.454	32.186	32.186	0.000	0.000	0.000	0.000
29	A	36	GLY	0	0.012	0.007	34.373	-0.434	-0.434	0.000	0.000	0.000	0.000
30	A	37	TYR	0	-0.051	-0.020	34.029	-0.899	-0.899	0.000	0.000	0.000	0.000
31	A	38	THR	0	0.025	0.010	34.635	0.748	0.748	0.000	0.000	0.000	0.000
32	A	39	ILE	0	0.067	0.027	29.361	0.403	0.403	0.000	0.000	0.000	0.000
33	A	40	GLU	-1	-0.829	-0.913	32.799	32.456	32.456	0.000	0.000	0.000	0.000
34	A	41	GLN	0	-0.008	0.002	35.471	0.382	0.382	0.000	0.000	0.000	0.000
35	A	42	ALA	0	0.009	0.008	30.427	0.085	0.085	0.000	0.000	0.000	0.000
36	A	43	ALA	0	0.029	0.010	30.418	0.633	0.633	0.000	0.000	0.000	0.000
37	A	44	GLY	0	0.034	0.021	31.462	0.279	0.279	0.000	0.000	0.000	0.000
38	A	45	ALA	0	-0.031	-0.017	32.226	-0.189	-0.189	0.000	0.000	0.000	0.000
39	A	46	VAL	0	0.026	0.014	26.734	0.190	0.190	0.000	0.000	0.000	0.000
40	A	47	ALA	0	0.028	0.025	29.495	0.479	0.479	0.000	0.000	0.000	0.000
41	A	48	ALA	0	-0.018	0.007	31.235	-0.311	-0.311	0.000	0.000	0.000	0.000
42	A	49	GLU	-1	-0.847	-0.942	30.247	34.031	34.031	0.000	0.000	0.000	0.000
43	A	50	SER	0	0.004	0.020	27.436	0.579	0.579	0.000	0.000	0.000	0.000
44	A	51	SER	0	0.000	-0.003	29.098	-0.058	-0.058	0.000	0.000	0.000	0.000
45	A	52	THR	0	0.024	0.006	32.159	-0.003	-0.003	0.000	0.000	0.000	0.000
46	A	53	GLY	0	-0.027	-0.010	34.807	-0.895	-0.895	0.000	0.000	0.000	0.000
47	A	54	THR	0	0.024	-0.007	35.934	0.137	0.137	0.000	0.000	0.000	0.000
48	A	55	TRP	0	0.001	0.004	37.020	-0.579	-0.579	0.000	0.000	0.000	0.000
49	A	56	THR	0	-0.024	-0.005	38.618	-0.669	-0.669	0.000	0.000	0.000	0.000
50	A	57	THR	0	-0.005	0.000	42.331	0.170	0.170	0.000	0.000	0.000	0.000
51	A	58	LEU	0	0.046	0.022	41.546	-0.233	-0.233	0.000	0.000	0.000	0.000
52	A	59	TYR	0	-0.006	-0.007	45.150	-0.585	-0.585	0.000	0.000	0.000	0.000
53	A	60	PRO	0	0.005	0.001	46.893	0.446	0.446	0.000	0.000	0.000	0.000
54	A	61	TRP	0	-0.063	-0.036	42.134	-0.753	-0.753	0.000	0.000	0.000	0.000
55	A	62	TYR	0	0.021	0.011	43.985	-0.029	-0.029	0.000	0.000	0.000	0.000
56	A	63	GLU	-1	-0.921	-0.962	46.093	24.785	24.785	0.000	0.000	0.000	0.000
57	A	64	GLN	0	-0.029	-0.026	45.081	0.261	0.261	0.000	0.000	0.000	0.000
58	A	65	GLU	-1	-0.901	-0.963	44.654	24.727	24.727	0.000	0.000	0.000	0.000
59	A	66	ARG	1	0.823	0.906	41.297	-26.195	-26.195	0.000	0.000	0.000	0.000
60	A	67	TRP	0	-0.016	-0.015	39.501	0.479	0.479	0.000	0.000	0.000	0.000
61	A	68	ALA	0	-0.033	-0.023	39.712	0.680	0.680	0.000	0.000	0.000	0.000
62	A	69	ASP	-1	-0.921	-0.938	40.002	29.546	29.546	0.000	0.000	0.000	0.000
63	A	70	LEU	0	-0.004	0.000	36.033	0.707	0.707	0.000	0.000	0.000	0.000
64	A	71	SER	0	-0.018	0.015	35.064	1.036	1.036	0.000	0.000	0.000	0.000
65	A	72	ALA	0	-0.038	-0.001	31.561	-0.070	-0.070	0.000	0.000	0.000	0.000
66	A	73	LYS	1	0.933	0.968	33.107	-31.100	-31.100	0.000	0.000	0.000	0.000
67	A	74	ALA	0	0.005	0.004	31.759	1.047	1.047	0.000	0.000	0.000	0.000
68	A	75	TYR	0	0.022	-0.003	29.421	-0.656	-0.656	0.000	0.000	0.000	0.000
69	A	76	ASP	-1	-0.954	-0.969	29.968	36.678	36.678	0.000	0.000	0.000	0.000
70	A	77	PHE	0	-0.007	-0.019	30.381	0.858	0.858	0.000	0.000	0.000	0.000
71	A	78	HIS	0	0.024	0.012	26.906	-1.668	-1.668	0.000	0.000	0.000	0.000
72	A	79	ASP	-1	-0.889	-0.945	28.187	38.318	38.318	0.000	0.000	0.000	0.000
73	A	80	MET	0	-0.041	-0.010	22.509	0.209	0.209	0.000	0.000	0.000	0.000
74	A	81	GLY	0	-0.032	-0.007	27.021	0.427	0.427	0.000	0.000	0.000	0.000
75	A	82	ASP	-1	-0.775	-0.867	24.122	45.504	45.504	0.000	0.000	0.000	0.000
76	A	83	GLY	0	-0.018	-0.006	27.380	0.355	0.355	0.000	0.000	0.000	0.000
77	A	84	SER	0	-0.087	-0.052	24.472	0.427	0.427	0.000	0.000	0.000	0.000
78	A	85	TRP	0	0.060	0.013	26.545	-0.833	-0.833	0.000	0.000	0.000	0.000
79	A	86	ILE	0	-0.007	-0.002	22.317	1.426	1.426	0.000	0.000	0.000	0.000
80	A	87	VAL	0	-0.025	-0.023	25.682	-1.637	-1.637	0.000	0.000	0.000	0.000
81	A	88	ARG	1	0.930	0.983	26.371	-39.066	-39.066	0.000	0.000	0.000	0.000
82	A	89	ILE	0	0.009	-0.009	27.457	-1.647	-1.647	0.000	0.000	0.000	0.000
83	A	90	ALA	0	-0.027	-0.010	28.260	1.288	1.288	0.000	0.000	0.000	0.000
84	A	91	TYR	0	-0.005	-0.039	27.092	-0.430	-0.430	0.000	0.000	0.000	0.000
85	A	92	PRO	0	0.076	0.067	30.893	0.777	0.777	0.000	0.000	0.000	0.000
86	A	93	PHE	0	0.020	-0.023	30.736	0.080	0.080	0.000	0.000	0.000	0.000
87	A	94	HIS	0	-0.078	-0.039	31.710	1.254	1.254	0.000	0.000	0.000	0.000
88	A	95	ALA	0	0.034	0.021	32.351	-0.862	-0.862	0.000	0.000	0.000	0.000
89	A	96	PHE	0	-0.026	-0.017	28.259	0.313	0.313	0.000	0.000	0.000	0.000
90	A	97	GLU	-1	-0.762	-0.858	29.955	36.003	36.003	0.000	0.000	0.000	0.000
91	A	98	GLU	-1	-0.970	-0.990	29.214	34.730	34.730	0.000	0.000	0.000	0.000
92	A	99	ALA	0	-0.012	-0.011	26.471	-0.035	-0.035	0.000	0.000	0.000	0.000
93	A	100	ASN	0	0.046	0.040	25.715	1.836	1.836	0.000	0.000	0.000	0.000
94	A	101	LEU	0	-0.008	-0.010	18.070	0.039	0.039	0.000	0.000	0.000	0.000
95	A	102	PRO	0	0.038	0.008	21.256	0.720	0.720	0.000	0.000	0.000	0.000
96	A	103	GLY	0	0.083	0.032	22.414	-0.087	-0.087	0.000	0.000	0.000	0.000
97	A	104	LEU	0	-0.042	-0.009	22.457	-0.557	-0.557	0.000	0.000	0.000	0.000
98	A	105	LEU	0	-0.053	-0.041	18.021	-0.092	-0.092	0.000	0.000	0.000	0.000
99	A	106	ALA	0	0.032	0.025	21.857	0.507	0.507	0.000	0.000	0.000	0.000
100	A	107	SER	0	-0.028	-0.012	24.440	-1.196	-1.196	0.000	0.000	0.000	0.000
101	A	108	ILE	0	-0.068	-0.038	21.116	-0.056	-0.056	0.000	0.000	0.000	0.000
102	A	109	ALA	0	-0.019	-0.015	19.227	1.377	1.377	0.000	0.000	0.000	0.000
103	A	110	GLY	0	0.106	0.057	20.889	1.405	1.405	0.000	0.000	0.000	0.000
104	A	111	ASN	0	0.053	-0.022	23.505	2.055	2.055	0.000	0.000	0.000	0.000
105	A	112	ILE	0	-0.013	-0.002	23.594	-0.404	-0.404	0.000	0.000	0.000	0.000
106	A	113	PHE	0	0.006	0.020	19.046	-0.515	-0.515	0.000	0.000	0.000	0.000
107	A	114	GLY	0	0.026	0.019	23.362	0.538	0.538	0.000	0.000	0.000	0.000
108	A	115	MET	0	-0.023	0.020	25.837	-1.304	-1.304	0.000	0.000	0.000	0.000
109	A	116	LYS	1	0.857	0.930	28.602	-33.543	-33.543	0.000	0.000	0.000	0.000
110	A	117	ARG	1	0.824	0.897	31.145	-32.557	-32.557	0.000	0.000	0.000	0.000
111	A	118	VAL	0	-0.008	0.013	26.700	-0.493	-0.493	0.000	0.000	0.000	0.000
112	A	119	LYS	1	0.910	0.945	25.938	-39.536	-39.536	0.000	0.000	0.000	0.000
113	A	120	GLY	0	0.005	0.006	23.173	1.323	1.323	0.000	0.000	0.000	0.000
114	A	121	LEU	0	0.002	0.003	21.903	-1.841	-1.841	0.000	0.000	0.000	0.000
115	A	122	ARG	1	0.904	0.964	12.357	-69.308	-69.308	0.000	0.000	0.000	0.000
116	A	123	LEU	0	-0.007	0.019	17.900	-1.646	-1.646	0.000	0.000	0.000	0.000
117	A	124	GLU	-1	-0.846	-0.954	17.028	63.982	63.982	0.000	0.000	0.000	0.000
118	A	125	ASP	-1	-0.791	-0.911	17.288	57.315	57.315	0.000	0.000	0.000	0.000
119	A	126	LEU	0	0.027	0.009	19.062	-1.873	-1.873	0.000	0.000	0.000	0.000
120	A	127	TYR	0	-0.134	-0.060	21.057	0.951	0.951	0.000	0.000	0.000	0.000
121	A	128	PHE	0	0.061	0.017	21.534	-1.138	-1.138	0.000	0.000	0.000	0.000
122	A	129	PRO	0	0.046	0.035	24.924	0.036	0.036	0.000	0.000	0.000	0.000
123	A	130	GLU	-1	-0.880	-0.958	27.661	36.507	36.507	0.000	0.000	0.000	0.000
124	A	131	LYS	1	0.892	0.960	29.023	-34.531	-34.531	0.000	0.000	0.000	0.000
125	A	132	LEU	0	0.098	0.049	25.100	-0.200	-0.200	0.000	0.000	0.000	0.000
126	A	133	ILE	0	-0.070	-0.023	23.104	0.958	0.958	0.000	0.000	0.000	0.000
127	A	134	ARG	1	0.819	0.881	25.164	-36.950	-36.950	0.000	0.000	0.000	0.000
128	A	135	GLU	-1	-0.831	-0.895	26.482	38.479	38.479	0.000	0.000	0.000	0.000
129	A	136	PHE	0	-0.050	-0.014	20.789	0.912	0.912	0.000	0.000	0.000	0.000
130	A	137	ASP	-1	-0.851	-0.931	22.994	42.636	42.636	0.000	0.000	0.000	0.000
131	A	138	GLY	0	-0.059	-0.021	19.768	-0.201	-0.201	0.000	0.000	0.000	0.000
132	A	139	PRO	0	-0.060	-0.023	16.868	-0.653	-0.653	0.000	0.000	0.000	0.000
133	A	140	ALA	0	0.052	0.038	19.122	-2.339	-2.339	0.000	0.000	0.000	0.000
134	A	141	PHE	0	-0.096	-0.036	18.835	-2.066	-2.066	0.000	0.000	0.000	0.000
135	A	142	GLY	0	0.016	-0.010	17.396	-1.996	-1.996	0.000	0.000	0.000	0.000
136	A	143	ILE	0	-0.053	-0.030	15.459	0.311	0.311	0.000	0.000	0.000	0.000
137	A	144	GLU	-1	-0.977	-0.989	17.707	46.077	46.077	0.000	0.000	0.000	0.000
138	A	145	GLY	0	0.018	0.009	20.886	-1.141	-1.141	0.000	0.000	0.000	0.000
139	A	146	VAL	0	0.026	0.003	15.420	-0.155	-0.155	0.000	0.000	0.000	0.000
140	A	147	ARG	1	0.773	0.862	17.368	-63.010	-63.010	0.000	0.000	0.000	0.000
141	A	148	LYS	1	0.934	0.971	20.168	-44.927	-44.927	0.000	0.000	0.000	0.000
142	A	149	MET	0	-0.061	-0.007	17.226	-1.315	-1.315	0.000	0.000	0.000	0.000
143	A	150	LEU	0	-0.019	-0.028	15.939	-0.431	-0.431	0.000	0.000	0.000	0.000
144	A	151	GLU	-1	-0.948	-0.962	20.431	45.166	45.166	0.000	0.000	0.000	0.000
145	A	152	ILE	0	-0.035	0.005	17.378	-0.307	-0.307	0.000	0.000	0.000	0.000
146	A	153	LYS	1	0.881	0.946	20.861	-44.927	-44.927	0.000	0.000	0.000	0.000
147	A	154	ASP	-1	-0.864	-0.947	21.368	50.291	50.291	0.000	0.000	0.000	0.000
148	A	155	ARG	1	0.787	0.836	15.474	-66.092	-66.092	0.000	0.000	0.000	0.000
149	A	156	PRO	0	0.043	0.015	13.606	-0.598	-0.598	0.000	0.000	0.000	0.000
150	A	157	ILE	0	-0.022	0.014	12.354	-1.579	-1.579	0.000	0.000	0.000	0.000
151	A	158	TYR	0	-0.004	-0.019	7.764	2.212	2.212	0.000	0.000	0.000	0.000
152	A	159	GLY	0	0.038	0.007	9.000	-8.545	-8.545	0.000	0.000	0.000	0.000
153	A	160	VAL	0	-0.051	-0.019	6.296	10.740	10.740	0.000	0.000	0.000	0.000
157	A	164	PRO	0	0.011	-0.006	6.653	-6.775	-6.775	0.000	0.000	0.000	0.000
159	A	166	VAL	0	0.027	0.023	7.512	-3.502	-3.502	0.000	0.000	0.000	0.000
160	A	167	GLY	0	0.021	-0.003	10.974	0.307	0.307	0.000	0.000	0.000	0.000
161	A	168	TYR	0	-0.065	-0.012	9.047	-6.233	-6.233	0.000	0.000	0.000	0.000
162	A	169	SER	0	0.041	0.009	14.888	1.237	1.237	0.000	0.000	0.000	0.000
163	A	170	PRO	0	0.061	0.020	16.464	3.263	3.263	0.000	0.000	0.000	0.000
164	A	171	GLU	-1	-0.819	-0.915	17.915	52.226	52.226	0.000	0.000	0.000	0.000
165	A	172	GLU	-1	-0.880	-0.931	16.294	61.025	61.025	0.000	0.000	0.000	0.000
166	A	173	PHE	0	0.018	-0.001	11.267	2.198	2.198	0.000	0.000	0.000	0.000
167	A	174	GLU	-1	-0.885	-0.937	15.297	51.900	51.900	0.000	0.000	0.000	0.000
168	A	175	LYS	1	0.872	0.925	18.094	-54.945	-54.945	0.000	0.000	0.000	0.000
169	A	176	LEU	0	0.023	0.025	10.600	0.289	0.289	0.000	0.000	0.000	0.000
170	A	177	ALA	0	0.029	0.005	13.907	1.418	1.418	0.000	0.000	0.000	0.000
171	A	178	TYR	0	-0.066	-0.063	14.862	-0.157	-0.157	0.000	0.000	0.000	0.000
172	A	179	ASP	-1	-0.914	-0.953	16.297	57.622	57.622	0.000	0.000	0.000	0.000
173	A	180	LEU	0	-0.042	-0.035	10.340	-0.063	-0.063	0.000	0.000	0.000	0.000
174	A	181	LEU	0	0.004	0.003	13.678	0.351	0.351	0.000	0.000	0.000	0.000
175	A	182	SER	0	0.024	0.016	16.103	-1.902	-1.902	0.000	0.000	0.000	0.000
176	A	183	ASN	0	-0.089	-0.052	16.326	-3.881	-3.881	0.000	0.000	0.000	0.000
177	A	184	GLY	0	-0.018	-0.011	15.181	0.109	0.109	0.000	0.000	0.000	0.000
178	A	185	ALA	0	-0.009	0.018	11.796	0.547	0.547	0.000	0.000	0.000	0.000
179	A	186	ASP	-1	-0.732	-0.817	13.122	69.092	69.092	0.000	0.000	0.000	0.000
180	A	187	TYR	0	-0.009	-0.007	7.379	-0.341	-0.341	0.000	0.000	0.000	0.000
181	A	188	MET	0	0.014	0.025	9.734	4.815	4.815	0.000	0.000	0.000	0.000
183	A	190	ASP	-1	-0.670	-0.826	6.910	89.316	89.316	0.000	0.000	0.000	0.000
187	A	193	ASN	0	-0.034	0.005	5.774	-1.977	-1.977	0.000	0.000	0.000	0.000
188	A	194	LEU	0	-0.089	-0.027	8.328	-7.032	-7.032	0.000	0.000	0.000	0.000
189	A	195	THR	0	0.027	0.021	10.348	-0.437	-0.437	0.000	0.000	0.000	0.000
190	A	196	SER	0	0.070	0.053	13.157	-0.112	-0.112	0.000	0.000	0.000	0.000
191	A	197	PRO	0	0.007	0.023	14.979	-4.138	-4.138	0.000	0.000	0.000	0.000
192	A	198	TRP	0	-0.047	-0.045	18.020	-0.808	-0.808	0.000	0.000	0.000	0.000
193	A	199	TYR	0	-0.041	-0.045	13.739	0.176	0.176	0.000	0.000	0.000	0.000
194	A	200	ASN	0	-0.013	-0.014	14.684	0.222	0.222	0.000	0.000	0.000	0.000
195	A	201	ARG	1	0.971	1.005	16.207	-48.609	-48.609	0.000	0.000	0.000	0.000
196	A	202	PHE	0	0.067	0.009	13.915	0.931	0.931	0.000	0.000	0.000	0.000
197	A	203	GLU	-1	-0.827	-0.928	17.270	53.673	53.673	0.000	0.000	0.000	0.000
198	A	204	GLU	-1	-0.925	-0.966	20.239	49.215	49.215	0.000	0.000	0.000	0.000
199	A	205	ARG	1	0.761	0.859	12.512	-74.258	-74.258	0.000	0.000	0.000	0.000
200	A	206	ALA	0	0.013	-0.005	17.420	0.846	0.846	0.000	0.000	0.000	0.000
201	A	207	GLU	-1	-0.926	-0.965	18.734	44.363	44.363	0.000	0.000	0.000	0.000
202	A	208	ILE	0	-0.106	-0.044	17.863	-0.953	-0.953	0.000	0.000	0.000	0.000
203	A	209	MET	0	-0.019	-0.019	14.287	0.264	0.264	0.000	0.000	0.000	0.000
204	A	210	ALA	0	0.038	0.035	18.098	-0.065	-0.065	0.000	0.000	0.000	0.000
205	A	211	LYS	1	0.956	0.989	21.221	-48.208	-48.208	0.000	0.000	0.000	0.000
206	A	212	ILE	0	-0.055	-0.032	17.926	-1.114	-1.114	0.000	0.000	0.000	0.000
207	A	213	ILE	0	-0.025	-0.012	16.696	0.103	0.103	0.000	0.000	0.000	0.000
208	A	214	ASP	-1	-0.839	-0.905	20.344	45.088	45.088	0.000	0.000	0.000	0.000
209	A	215	LYS	1	0.794	0.908	23.299	-46.245	-46.245	0.000	0.000	0.000	0.000
210	A	216	VAL	0	0.033	0.001	19.299	-0.974	-0.974	0.000	0.000	0.000	0.000
211	A	217	GLU	-1	-0.822	-0.901	21.483	51.145	51.145	0.000	0.000	0.000	0.000
212	A	218	ASN	0	-0.115	-0.071	23.706	-2.536	-2.536	0.000	0.000	0.000	0.000
213	A	219	GLU	-1	-0.877	-0.898	24.864	44.354	44.354	0.000	0.000	0.000	0.000
214	A	220	THR	0	-0.068	-0.051	21.762	-0.262	-0.262	0.000	0.000	0.000	0.000
215	A	221	GLY	0	-0.032	-0.004	24.953	-0.740	-0.740	0.000	0.000	0.000	0.000
216	A	222	GLU	-1	-0.960	-0.981	20.314	55.395	55.395	0.000	0.000	0.000	0.000
217	A	223	LYS	1	0.910	0.965	21.039	-47.026	-47.026	0.000	0.000	0.000	0.000
218	A	224	LYS	1	0.814	0.916	16.955	-59.952	-59.952	0.000	0.000	0.000	0.000
219	A	225	THR	0	-0.047	-0.059	13.928	-2.852	-2.852	0.000	0.000	0.000	0.000
220	A	226	TRP	0	-0.011	-0.028	11.419	0.830	0.830	0.000	0.000	0.000	0.000
221	A	227	PHE	0	-0.062	-0.032	7.821	-1.184	-1.184	0.000	0.000	0.000	0.000
222	A	228	ALA	0	0.072	0.047	9.672	5.684	5.684	0.000	0.000	0.000	0.000
223	A	229	ASN	0	0.006	0.008	8.740	-3.774	-3.774	0.000	0.000	0.000	0.000
224	A	230	ILE	0	0.011	0.005	10.685	-2.764	-2.764	0.000	0.000	0.000	0.000
225	A	231	THR	0	-0.059	-0.038	10.238	-4.165	-4.165	0.000	0.000	0.000	0.000
226	A	232	ALA	0	0.002	-0.017	13.139	-0.010	-0.010	0.000	0.000	0.000	0.000
227	A	233	ASP	-1	-0.881	-0.938	16.465	54.178	54.178	0.000	0.000	0.000	0.000
228	A	234	LEU	0	0.005	-0.010	19.802	0.617	0.617	0.000	0.000	0.000	0.000
229	A	235	LEU	0	0.046	0.020	21.301	0.207	0.207	0.000	0.000	0.000	0.000
230	A	236	GLU	-1	-0.880	-0.941	19.457	48.569	48.569	0.000	0.000	0.000	0.000
231	A	237	MET	0	-0.132	-0.052	16.384	2.511	2.511	0.000	0.000	0.000	0.000
232	A	238	GLU	-1	-0.817	-0.888	18.744	45.189	45.189	0.000	0.000	0.000	0.000
233	A	239	GLN	0	0.030	0.018	21.945	0.757	0.757	0.000	0.000	0.000	0.000
234	A	240	ARG	1	0.815	0.887	15.981	-58.608	-58.608	0.000	0.000	0.000	0.000
235	A	241	LEU	0	-0.027	-0.027	17.337	1.341	1.341	0.000	0.000	0.000	0.000
236	A	242	GLU	-1	-0.920	-0.951	19.756	41.537	41.537	0.000	0.000	0.000	0.000
237	A	243	VAL	0	-0.014	-0.005	20.407	-0.561	-0.561	0.000	0.000	0.000	0.000
238	A	244	LEU	0	-0.089	-0.050	15.673	0.264	0.264	0.000	0.000	0.000	0.000
239	A	245	ALA	0	0.007	0.002	20.137	-0.391	-0.391	0.000	0.000	0.000	0.000
240	A	246	ASP	-1	-0.915	-0.948	23.147	40.929	40.929	0.000	0.000	0.000	0.000
241	A	247	LEU	0	-0.093	-0.046	21.654	-0.990	-0.990	0.000	0.000	0.000	0.000
242	A	248	GLY	0	-0.048	-0.003	23.968	-0.131	-0.131	0.000	0.000	0.000	0.000
243	A	249	LEU	0	-0.067	-0.026	17.986	1.780	1.780	0.000	0.000	0.000	0.000
244	A	250	LYS	1	0.931	0.946	18.241	-55.872	-55.872	0.000	0.000	0.000	0.000
245	A	251	HIS	0	-0.008	0.012	13.223	-0.200	-0.200	0.000	0.000	0.000	0.000
246	A	252	ALA	0	0.075	0.051	14.042	-0.511	-0.511	0.000	0.000	0.000	0.000
247	A	253	MET	0	-0.092	-0.026	5.502	3.650	3.650	0.000	0.000	0.000	0.000
248	A	254	VAL	0	0.051	0.028	10.227	-3.475	-3.475	0.000	0.000	0.000	0.000
249	A	255	ASP	-1	-0.795	-0.909	7.770	113.924	113.924	0.000	0.000	0.000	0.000
250	A	256	VAL	0	-0.033	-0.013	8.435	-7.016	-7.016	0.000	0.000	0.000	0.000
251	A	257	VAL	0	-0.059	-0.022	7.918	-5.425	-5.425	0.000	0.000	0.000	0.000
252	A	258	ILE	0	-0.025	0.002	9.073	-5.548	-5.548	0.000	0.000	0.000	0.000
253	A	259	THR	0	-0.009	-0.030	12.230	-6.086	-6.086	0.000	0.000	0.000	0.000
254	A	260	GLY	0	-0.004	0.008	13.702	-4.192	-4.192	0.000	0.000	0.000	0.000
255	A	261	TRP	0	-0.022	-0.037	13.817	0.651	0.651	0.000	0.000	0.000	0.000
256	A	262	GLY	0	0.020	0.020	17.657	-1.414	-1.414	0.000	0.000	0.000	0.000
257	A	263	ALA	0	0.043	0.019	18.950	-1.864	-1.864	0.000	0.000	0.000	0.000
258	A	264	LEU	0	-0.039	-0.014	13.354	0.336	0.336	0.000	0.000	0.000	0.000
259	A	265	ARG	1	0.905	0.946	17.685	-44.983	-44.983	0.000	0.000	0.000	0.000
260	A	266	TYR	0	0.016	-0.015	20.525	-0.277	-0.277	0.000	0.000	0.000	0.000
261	A	267	ILE	0	0.027	0.013	16.560	-0.102	-0.102	0.000	0.000	0.000	0.000
262	A	268	ARG	1	0.808	0.892	17.831	-50.688	-50.688	0.000	0.000	0.000	0.000
263	A	269	ASP	-1	-0.879	-0.947	19.323	46.826	46.826	0.000	0.000	0.000	0.000
264	A	270	LEU	0	0.050	0.044	21.700	-0.721	-0.721	0.000	0.000	0.000	0.000
265	A	271	ALA	0	-0.016	-0.014	18.448	-0.509	-0.509	0.000	0.000	0.000	0.000
266	A	272	ALA	0	-0.062	-0.037	20.389	-0.361	-0.361	0.000	0.000	0.000	0.000
267	A	273	ASP	-1	-0.925	-0.956	22.564	41.401	41.401	0.000	0.000	0.000	0.000
268	A	274	TYR	0	-0.047	-0.026	21.914	-1.146	-1.146	0.000	0.000	0.000	0.000
269	A	275	GLY	0	-0.066	-0.017	23.251	-0.254	-0.254	0.000	0.000	0.000	0.000
270	A	276	LEU	0	-0.048	-0.024	17.878	1.402	1.402	0.000	0.000	0.000	0.000
271	A	277	ALA	0	-0.043	-0.021	16.247	0.350	0.350	0.000	0.000	0.000	0.000
272	A	278	ILE	0	0.019	0.004	13.070	2.966	2.966	0.000	0.000	0.000	0.000
273	A	279	HIS	1	0.741	0.853	5.720	-114.287	-114.287	0.000	0.000	0.000	0.000
274	A	280	GLY	0	0.044	0.009	9.135	-1.701	-1.701	0.000	0.000	0.000	0.000
277	A	283	ALA	0	0.051	0.022	4.939	-1.813	-1.813	0.000	0.000	0.000	0.000
278	A	284	MET	0	0.023	0.017	5.783	-12.118	-12.118	0.000	0.000	0.000	0.000
280	A	286	ALA	0	0.008	0.019	6.652	-7.430	-7.430	0.000	0.000	0.000	0.000
281	A	287	ALA	0	-0.039	-0.004	8.461	-6.986	-6.986	0.000	0.000	0.000	0.000
282	A	288	PHE	0	0.008	-0.016	10.820	-5.585	-5.585	0.000	0.000	0.000	0.000
283	A	289	ASP	-1	-0.796	-0.869	8.071	111.174	111.174	0.000	0.000	0.000	0.000
284	A	290	ARG	1	0.853	0.930	9.487	-94.331	-94.331	0.000	0.000	0.000	0.000
285	A	291	ASN	0	-0.023	-0.013	10.892	-3.560	-3.560	0.000	0.000	0.000	0.000
286	A	292	PRO	0	0.036	0.014	14.680	-1.231	-1.231	0.000	0.000	0.000	0.000
287	A	293	TYR	0	-0.100	-0.070	16.145	-2.104	-2.104	0.000	0.000	0.000	0.000
288	A	294	HIS	0	-0.110	-0.068	17.477	-3.594	-3.594	0.000	0.000	0.000	0.000
289	A	295	GLY	0	0.055	0.046	15.788	3.303	3.303	0.000	0.000	0.000	0.000
290	A	296	ILE	0	-0.020	-0.014	13.926	-3.537	-3.537	0.000	0.000	0.000	0.000
291	A	297	SER	0	0.014	0.013	12.807	7.275	7.275	0.000	0.000	0.000	0.000
292	A	298	MET	0	0.033	0.026	6.956	2.919	2.919	0.000	0.000	0.000	0.000
293	A	299	PHE	0	-0.005	0.000	10.303	0.017	0.017	0.000	0.000	0.000	0.000
294	A	300	VAL	0	0.010	0.013	13.173	-1.947	-1.947	0.000	0.000	0.000	0.000
295	A	301	LEU	0	0.036	0.013	8.669	-1.357	-1.357	0.000	0.000	0.000	0.000
296	A	302	ALA	0	-0.005	0.000	10.462	-0.391	-0.391	0.000	0.000	0.000	0.000
297	A	303	LYS	1	0.821	0.911	11.660	-56.985	-56.985	0.000	0.000	0.000	0.000
298	A	304	LEU	0	-0.005	-0.008	14.812	-2.642	-2.642	0.000	0.000	0.000	0.000
299	A	305	TYR	0	0.067	0.018	9.346	0.636	0.636	0.000	0.000	0.000	0.000
300	A	306	ARG	1	0.785	0.889	13.637	-60.200	-60.200	0.000	0.000	0.000	0.000
301	A	307	LEU	0	-0.050	-0.037	15.458	-2.742	-2.742	0.000	0.000	0.000	0.000
302	A	308	ILE	0	0.019	0.006	15.684	-2.206	-2.206	0.000	0.000	0.000	0.000
303	A	309	GLY	0	-0.004	0.001	16.747	-2.399	-2.399	0.000	0.000	0.000	0.000
304	A	310	ILE	0	-0.016	-0.002	10.893	0.885	0.885	0.000	0.000	0.000	0.000
305	A	311	ASP	-1	-0.726	-0.858	14.149	64.283	64.283	0.000	0.000	0.000	0.000
306	A	312	GLN	0	-0.028	0.007	10.273	3.876	3.876	0.000	0.000	0.000	0.000
307	A	313	LEU	0	0.021	0.028	7.299	0.958	0.958	0.000	0.000	0.000	0.000
312	A	318	ALA	0	0.014	0.006	7.004	-10.543	-10.543	0.000	0.000	0.000	0.000
313	A	319	GLY	0	0.012	0.005	8.913	-7.952	-7.952	0.000	0.000	0.000	0.000
314	A	320	ALA	0	-0.020	-0.005	10.089	-2.768	-2.768	0.000	0.000	0.000	0.000
315	A	321	GLY	0	0.048	0.022	7.076	-1.945	-1.945	0.000	0.000	0.000	0.000
319	A	325	GLY	0	0.091	0.035	5.800	12.881	12.881	0.000	0.000	0.000	0.000
320	A	326	GLY	0	-0.012	0.005	7.762	-1.754	-1.754	0.000	0.000	0.000	0.000
321	A	327	LYS	1	0.978	0.975	10.800	-64.509	-64.509	0.000	0.000	0.000	0.000
322	A	328	TRP	0	-0.013	-0.005	12.778	2.988	2.988	0.000	0.000	0.000	0.000
323	A	329	ASP	-1	-0.817	-0.917	11.049	74.653	74.653	0.000	0.000	0.000	0.000
324	A	330	VAL	0	-0.064	-0.027	7.347	1.349	1.349	0.000	0.000	0.000	0.000
325	A	331	ILE	0	0.007	0.005	9.952	0.291	0.291	0.000	0.000	0.000	0.000
326	A	332	GLN	0	0.006	0.008	13.321	-3.567	-3.567	0.000	0.000	0.000	0.000
327	A	333	ASN	0	-0.011	-0.005	8.180	-7.823	-7.823	0.000	0.000	0.000	0.000
328	A	334	ALA	0	0.026	0.007	11.220	-1.198	-1.198	0.000	0.000	0.000	0.000
329	A	335	ARG	1	0.806	0.881	12.304	-59.554	-59.554	0.000	0.000	0.000	0.000
330	A	336	ILE	0	-0.033	-0.002	13.920	-3.961	-3.961	0.000	0.000	0.000	0.000
331	A	337	LEU	0	0.006	0.013	10.058	-2.352	-2.352	0.000	0.000	0.000	0.000
332	A	338	ARG	1	0.855	0.928	13.641	-75.356	-75.356	0.000	0.000	0.000	0.000
333	A	339	GLU	-1	-0.844	-0.912	16.998	52.406	52.406	0.000	0.000	0.000	0.000
334	A	340	SER	0	0.034	0.020	20.278	0.259	0.259	0.000	0.000	0.000	0.000
335	A	341	HIS	0	-0.134	-0.103	23.461	-1.746	-1.746	0.000	0.000	0.000	0.000
336	A	342	TYR	0	0.027	0.032	18.585	-0.982	-0.982	0.000	0.000	0.000	0.000
337	A	343	LYS	1	0.940	0.959	22.591	-41.676	-41.676	0.000	0.000	0.000	0.000
338	A	344	PRO	0	0.034	0.049	21.839	1.210	1.210	0.000	0.000	0.000	0.000
339	A	345	ASP	-1	-0.866	-0.940	21.434	50.405	50.405	0.000	0.000	0.000	0.000
340	A	346	GLU	-1	-0.940	-0.984	23.960	38.468	38.468	0.000	0.000	0.000	0.000
341	A	347	ASN	0	-0.081	-0.041	23.354	0.651	0.651	0.000	0.000	0.000	0.000
342	A	348	ASP	-1	-0.790	-0.868	20.032	55.297	55.297	0.000	0.000	0.000	0.000
343	A	349	VAL	0	0.014	0.006	22.789	-1.219	-1.219	0.000	0.000	0.000	0.000
344	A	350	PHE	0	-0.047	-0.030	18.928	-0.416	-0.416	0.000	0.000	0.000	0.000
345	A	351	HIS	1	0.810	0.892	16.022	-60.350	-60.350	0.000	0.000	0.000	0.000
346	A	352	LEU	0	0.018	0.010	20.960	-2.122	-2.122	0.000	0.000	0.000	0.000
347	A	353	GLU	-1	-0.880	-0.935	22.832	41.217	41.217	0.000	0.000	0.000	0.000
348	A	354	GLN	0	-0.038	-0.037	21.317	-0.062	-0.062	0.000	0.000	0.000	0.000
349	A	355	LYS	1	0.870	0.954	23.715	-37.696	-37.696	0.000	0.000	0.000	0.000
350	A	356	PHE	0	0.095	0.033	18.778	-0.264	-0.264	0.000	0.000	0.000	0.000
351	A	357	TYR	0	-0.043	-0.041	23.867	-1.387	-1.387	0.000	0.000	0.000	0.000
352	A	358	SER	0	0.023	0.004	26.238	-0.080	-0.080	0.000	0.000	0.000	0.000
353	A	359	ILE	0	-0.003	0.032	20.219	0.495	0.495	0.000	0.000	0.000	0.000
354	A	360	LYS	1	0.976	0.995	20.648	-47.944	-47.944	0.000	0.000	0.000	0.000
355	A	361	ALA	0	-0.018	0.014	17.605	1.595	1.595	0.000	0.000	0.000	0.000
356	A	362	ALA	0	0.075	0.038	13.278	-0.621	-0.621	0.000	0.000	0.000	0.000
357	A	363	PHE	0	0.005	-0.031	11.780	0.101	0.101	0.000	0.000	0.000	0.000
358	A	364	PRO	0	-0.040	-0.006	9.319	6.484	6.484	0.000	0.000	0.000	0.000
366	A	372	PRO	0	0.026	0.003	7.866	-4.722	-4.722	0.000	0.000	0.000	0.000
367	A	373	GLY	0	0.002	0.011	11.190	-5.414	-5.414	0.000	0.000	0.000	0.000
368	A	374	ASN	0	-0.034	-0.008	7.863	-3.790	-3.790	0.000	0.000	0.000	0.000
369	A	375	ILE	0	0.088	0.039	8.972	2.870	2.870	0.000	0.000	0.000	0.000
370	A	376	GLN	0	0.002	0.007	11.468	0.208	0.208	0.000	0.000	0.000	0.000
371	A	377	PRO	0	0.030	0.007	13.820	-1.461	-1.461	0.000	0.000	0.000	0.000
372	A	378	VAL	0	-0.006	0.003	9.510	-1.509	-1.509	0.000	0.000	0.000	0.000
373	A	379	ILE	0	0.012	-0.001	12.409	-1.942	-1.942	0.000	0.000	0.000	0.000
374	A	380	GLU	-1	-0.990	-0.980	14.756	60.202	60.202	0.000	0.000	0.000	0.000
375	A	381	ALA	0	-0.064	-0.025	13.661	-2.942	-2.942	0.000	0.000	0.000	0.000
376	A	382	LEU	0	-0.015	-0.006	9.418	-1.683	-1.683	0.000	0.000	0.000	0.000
377	A	383	GLY	0	0.029	0.025	13.967	-1.940	-1.940	0.000	0.000	0.000	0.000
378	A	384	THR	0	0.038	-0.003	14.966	3.832	3.832	0.000	0.000	0.000	0.000
379	A	385	ASP	-1	-0.852	-0.894	15.750	64.664	64.664	0.000	0.000	0.000	0.000
380	A	386	ILE	0	-0.068	-0.045	10.334	2.519	2.519	0.000	0.000	0.000	0.000
381	A	387	VAL	0	0.008	0.003	9.129	-4.419	-4.419	0.000	0.000	0.000	0.000
382	A	388	LEU	0	-0.013	-0.030	8.368	10.126	10.126	0.000	0.000	0.000	0.000
388	A	394	THR	0	-0.035	-0.029	5.875	-19.794	-19.794	0.000	0.000	0.000	0.000
389	A	395	LEU	0	0.005	-0.017	6.732	-13.493	-13.493	0.000	0.000	0.000	0.000
390	A	396	GLY	0	0.002	0.017	7.390	-8.317	-8.317	0.000	0.000	0.000	0.000
391	A	397	HIS	0	-0.043	-0.014	8.922	-5.617	-5.617	0.000	0.000	0.000	0.000
392	A	398	PRO	0	-0.060	-0.034	11.803	-2.342	-2.342	0.000	0.000	0.000	0.000
393	A	399	ASP	-1	-0.881	-0.939	15.059	54.340	54.340	0.000	0.000	0.000	0.000
394	A	400	GLY	0	0.010	0.011	14.172	-2.760	-2.760	0.000	0.000	0.000	0.000
395	A	401	PRO	0	0.039	0.006	11.511	1.381	1.381	0.000	0.000	0.000	0.000
396	A	402	ALA	0	0.039	0.023	12.532	1.927	1.927	0.000	0.000	0.000	0.000
397	A	403	ALA	0	-0.010	-0.018	15.362	-0.616	-0.616	0.000	0.000	0.000	0.000
398	A	404	GLY	0	0.038	0.013	11.534	-0.108	-0.108	0.000	0.000	0.000	0.000
399	A	405	ALA	0	0.037	0.019	11.487	3.601	3.601	0.000	0.000	0.000	0.000
400	A	406	ARG	1	0.828	0.909	12.418	-58.651	-58.651	0.000	0.000	0.000	0.000
401	A	407	ALA	0	-0.031	-0.007	13.040	-2.021	-2.021	0.000	0.000	0.000	0.000
402	A	408	VAL	0	-0.013	0.001	9.093	-1.300	-1.300	0.000	0.000	0.000	0.000
403	A	409	ARG	1	0.915	0.951	12.180	-65.694	-65.694	0.000	0.000	0.000	0.000
404	A	410	GLN	0	0.035	0.023	15.216	-2.262	-2.262	0.000	0.000	0.000	0.000
405	A	411	ALA	0	-0.012	-0.008	13.558	-2.497	-2.497	0.000	0.000	0.000	0.000
406	A	412	ILE	0	-0.013	-0.014	12.229	-1.879	-1.879	0.000	0.000	0.000	0.000
407	A	413	ASP	-1	-0.895	-0.938	16.023	54.932	54.932	0.000	0.000	0.000	0.000
408	A	414	ALA	0	-0.056	-0.027	18.833	-2.671	-2.671	0.000	0.000	0.000	0.000
409	A	415	ILE	0	-0.030	-0.020	15.310	-1.760	-1.760	0.000	0.000	0.000	0.000
410	A	416	MET	0	-0.047	-0.015	18.944	-0.527	-0.527	0.000	0.000	0.000	0.000
411	A	417	GLN	0	-0.048	-0.022	21.210	-4.241	-4.241	0.000	0.000	0.000	0.000
412	A	418	GLY	0	-0.020	0.008	22.801	-2.069	-2.069	0.000	0.000	0.000	0.000
413	A	419	ILE	0	-0.042	-0.014	23.122	-1.709	-1.709	0.000	0.000	0.000	0.000
414	A	420	PRO	0	-0.004	-0.005	21.789	2.794	2.794	0.000	0.000	0.000	0.000
415	A	421	LEU	0	0.051	0.015	16.210	-1.470	-1.470	0.000	0.000	0.000	0.000
416	A	422	ASP	-1	-0.843	-0.931	19.698	55.874	55.874	0.000	0.000	0.000	0.000
417	A	423	GLU	-1	-1.023	-1.017	21.964	41.738	41.738	0.000	0.000	0.000	0.000
418	A	424	TYR	0	0.041	0.013	20.175	-2.123	-2.123	0.000	0.000	0.000	0.000
419	A	425	ALA	0	0.006	0.003	20.008	-0.523	-0.523	0.000	0.000	0.000	0.000
420	A	426	LYS	1	0.891	0.948	21.707	-43.552	-43.552	0.000	0.000	0.000	0.000
421	A	427	THR	0	-0.053	-0.025	24.780	-1.099	-1.099	0.000	0.000	0.000	0.000
422	A	428	HIS	0	-0.018	0.010	20.723	-0.524	-0.524	0.000	0.000	0.000	0.000
423	A	429	LYS	1	0.985	0.994	20.854	-47.501	-47.501	0.000	0.000	0.000	0.000
424	A	430	GLU	-1	-0.779	-0.884	16.635	55.503	55.503	0.000	0.000	0.000	0.000
425	A	431	LEU	0	0.068	0.048	15.244	3.766	3.766	0.000	0.000	0.000	0.000
426	A	432	ALA	0	-0.009	-0.009	16.547	2.322	2.322	0.000	0.000	0.000	0.000
427	A	433	ARG	1	0.784	0.885	17.367	-56.497	-56.497	0.000	0.000	0.000	0.000
428	A	434	ALA	0	0.032	0.024	12.559	1.888	1.888	0.000	0.000	0.000	0.000
429	A	435	LEU	0	-0.047	-0.030	14.048	3.051	3.051	0.000	0.000	0.000	0.000
430	A	436	GLU	-1	-0.935	-0.954	16.138	53.421	53.421	0.000	0.000	0.000	0.000
431	A	437	LYS	1	0.807	0.907	10.847	-85.435	-85.435	0.000	0.000	0.000	0.000
432	A	438	TRP	0	0.000	-0.009	8.380	0.624	0.624	0.000	0.000	0.000	0.000
433	A	439	GLY	0	0.010	0.018	13.051	0.550	0.550	0.000	0.000	0.000	0.000
434	A	440	HIS	1	0.799	0.863	13.915	-66.348	-66.348	0.000	0.000	0.000	0.000
435	A	441	VAL	0	0.000	0.016	11.216	0.109	0.109	0.000	0.000	0.000	0.000
436	A	442	THR	0	-0.002	0.021	9.892	3.405	3.405	0.000	0.000	0.000	0.000
437	A	443	PRO	0	-0.027	0.009	6.289	-7.391	-7.391	0.000	0.000	0.000	0.000
438	A	444	VAL	0	0.056	0.036	8.408	2.196	2.196	0.000	0.000	0.000	0.000
440	C	7	THR	0	-0.031	-0.031	11.037	1.311	1.311	0.000	0.000	0.000	0.000
441	C	8	ILE	0	0.046	0.024	9.209	-5.203	-5.203	0.000	0.000	0.000	0.000
442	C	9	TYR	0	-0.021	-0.051	6.366	-3.335	-3.335	0.000	0.000	0.000	0.000
443	C	10	ASP	-1	-0.920	-0.963	12.441	64.821	64.821	0.000	0.000	0.000	0.000
444	C	11	TYR	0	-0.049	-0.019	14.392	-4.431	-4.431	0.000	0.000	0.000	0.000
445	C	12	TYR	0	-0.027	-0.024	11.303	-0.369	-0.369	0.000	0.000	0.000	0.000
446	C	13	VAL	0	-0.050	-0.015	16.169	-1.239	-1.239	0.000	0.000	0.000	0.000
447	C	14	ASP	-1	-0.869	-0.952	19.351	48.002	48.002	0.000	0.000	0.000	0.000
448	C	15	LYS	1	0.802	0.867	22.511	-49.339	-49.339	0.000	0.000	0.000	0.000
449	C	16	GLY	0	-0.032	0.004	25.599	-1.479	-1.479	0.000	0.000	0.000	0.000
450	C	17	TYR	0	-0.095	-0.060	24.465	-1.340	-1.340	0.000	0.000	0.000	0.000
451	C	18	GLU	-1	-0.921	-0.966	26.556	39.657	39.657	0.000	0.000	0.000	0.000
452	C	19	PRO	0	-0.012	0.010	25.498	0.178	0.178	0.000	0.000	0.000	0.000
453	C	20	SER	0	-0.030	-0.026	27.066	-2.336	-2.336	0.000	0.000	0.000	0.000
454	C	21	LYS	1	1.004	0.980	27.668	-35.579	-35.579	0.000	0.000	0.000	0.000
455	C	22	LYS	1	0.806	0.886	28.966	-36.566	-36.566	0.000	0.000	0.000	0.000
456	C	23	ARG	1	0.949	0.961	26.238	-40.587	-40.587	0.000	0.000	0.000	0.000
457	C	24	ASP	-1	-0.730	-0.813	23.362	50.452	50.452	0.000	0.000	0.000	0.000
458	C	25	ILE	0	0.003	0.012	18.587	-1.950	-1.950	0.000	0.000	0.000	0.000
459	C	26	ILE	0	-0.050	-0.020	21.001	1.030	1.030	0.000	0.000	0.000	0.000
460	C	27	ALA	0	0.016	0.027	17.007	-0.803	-0.803	0.000	0.000	0.000	0.000
461	C	28	VAL	0	-0.011	-0.003	18.978	-0.088	-0.088	0.000	0.000	0.000	0.000
462	C	29	PHE	0	0.045	0.018	13.916	0.931	0.931	0.000	0.000	0.000	0.000
463	C	30	ARG	1	0.892	0.958	18.751	-50.609	-50.609	0.000	0.000	0.000	0.000
464	C	31	VAL	0	-0.017	-0.022	16.327	3.470	3.470	0.000	0.000	0.000	0.000
465	C	32	THR	0	0.009	-0.003	18.074	-4.467	-4.467	0.000	0.000	0.000	0.000
466	C	33	PRO	0	0.007	0.009	17.239	4.615	4.615	0.000	0.000	0.000	0.000
467	C	34	ALA	0	-0.032	-0.008	15.402	-2.566	-2.566	0.000	0.000	0.000	0.000
468	C	35	GLU	-1	-0.930	-0.983	17.514	52.210	52.210	0.000	0.000	0.000	0.000
469	C	36	GLY	0	-0.021	-0.012	19.361	1.956	1.956	0.000	0.000	0.000	0.000
470	C	37	TYR	0	-0.062	-0.020	14.235	2.349	2.349	0.000	0.000	0.000	0.000
471	C	38	THR	0	0.038	0.012	18.923	-0.668	-0.668	0.000	0.000	0.000	0.000
472	C	39	ILE	0	0.054	0.025	19.101	3.555	3.555	0.000	0.000	0.000	0.000
473	C	40	GLU	-1	-0.804	-0.883	19.198	54.212	54.212	0.000	0.000	0.000	0.000
474	C	41	GLN	0	0.039	0.025	15.923	1.932	1.932	0.000	0.000	0.000	0.000
475	C	42	ALA	0	-0.013	0.000	14.649	5.732	5.732	0.000	0.000	0.000	0.000
476	C	43	ALA	0	0.022	0.002	14.365	4.634	4.634	0.000	0.000	0.000	0.000
477	C	44	GLY	0	0.043	0.024	15.324	1.627	1.627	0.000	0.000	0.000	0.000
478	C	45	ALA	0	-0.022	-0.015	10.652	3.872	3.872	0.000	0.000	0.000	0.000
479	C	46	VAL	0	-0.004	0.003	10.525	7.691	7.691	0.000	0.000	0.000	0.000
480	C	47	ALA	0	0.042	0.038	11.440	3.016	3.016	0.000	0.000	0.000	0.000
481	C	48	ALA	0	-0.011	0.018	9.635	1.121	1.121	0.000	0.000	0.000	0.000
482	C	49	GLU	-1	-0.794	-0.891	5.479	176.663	176.663	0.000	0.000	0.000	0.000
483	C	50	SER	0	-0.029	0.010	7.572	3.072	3.072	0.000	0.000	0.000	0.000
484	C	51	SER	0	-0.009	-0.028	10.272	-7.299	-7.299	0.000	0.000	0.000	0.000
485	C	52	THR	0	0.016	0.008	10.000	6.147	6.147	0.000	0.000	0.000	0.000
486	C	53	GLY	0	0.002	0.004	8.314	0.450	0.450	0.000	0.000	0.000	0.000
489	C	56	THR	0	-0.023	-0.001	5.220	-20.983	-20.983	0.000	0.000	0.000	0.000
490	C	57	THR	0	-0.025	-0.017	7.357	0.427	0.427	0.000	0.000	0.000	0.000
491	C	58	LEU	0	0.035	0.019	7.249	3.580	3.580	0.000	0.000	0.000	0.000
492	C	59	TYR	0	0.027	0.014	9.796	-6.108	-6.108	0.000	0.000	0.000	0.000
493	C	60	PRO	0	-0.004	-0.006	12.342	1.761	1.761	0.000	0.000	0.000	0.000
494	C	61	TRP	0	-0.059	-0.039	10.040	-6.482	-6.482	0.000	0.000	0.000	0.000
495	C	62	TYR	0	0.001	0.003	11.877	0.777	0.777	0.000	0.000	0.000	0.000
496	C	63	GLU	-1	-0.921	-0.966	15.978	49.526	49.526	0.000	0.000	0.000	0.000
497	C	64	GLN	0	-0.001	-0.006	15.757	5.439	5.439	0.000	0.000	0.000	0.000
498	C	65	GLU	-1	-0.901	-0.970	18.095	51.489	51.489	0.000	0.000	0.000	0.000
499	C	66	ARG	1	0.842	0.925	17.345	-58.689	-58.689	0.000	0.000	0.000	0.000
500	C	67	TRP	0	0.007	0.000	11.321	-1.616	-1.616	0.000	0.000	0.000	0.000
501	C	68	ALA	0	-0.027	-0.014	15.862	2.017	2.017	0.000	0.000	0.000	0.000
502	C	69	ASP	-1	-0.935	-0.941	17.872	51.303	51.303	0.000	0.000	0.000	0.000
503	C	70	LEU	0	-0.007	-0.004	16.145	-0.348	-0.348	0.000	0.000	0.000	0.000
504	C	71	SER	0	-0.048	-0.005	14.696	4.694	4.694	0.000	0.000	0.000	0.000
505	C	72	ALA	0	-0.038	-0.005	15.228	-3.773	-3.773	0.000	0.000	0.000	0.000
506	C	73	LYS	1	0.929	0.967	17.036	-54.807	-54.807	0.000	0.000	0.000	0.000
507	C	74	ALA	0	0.008	0.007	17.946	-1.282	-1.282	0.000	0.000	0.000	0.000
508	C	75	TYR	0	0.023	-0.006	19.827	-1.583	-1.583	0.000	0.000	0.000	0.000
509	C	76	ASP	-1	-0.965	-0.972	23.390	42.361	42.361	0.000	0.000	0.000	0.000
510	C	77	PHE	0	-0.024	-0.023	20.738	2.316	2.316	0.000	0.000	0.000	0.000
511	C	78	HIS	0	0.041	0.021	25.246	-1.962	-1.962	0.000	0.000	0.000	0.000
512	C	79	ASP	-1	-0.874	-0.938	26.172	45.725	45.725	0.000	0.000	0.000	0.000
513	C	80	MET	0	-0.053	-0.020	25.962	-1.679	-1.679	0.000	0.000	0.000	0.000
514	C	81	GLY	0	-0.034	-0.004	28.358	-1.379	-1.379	0.000	0.000	0.000	0.000
515	C	82	ASP	-1	-0.772	-0.859	26.187	45.801	45.801	0.000	0.000	0.000	0.000
516	C	83	GLY	0	-0.034	-0.015	24.885	0.747	0.747	0.000	0.000	0.000	0.000
517	C	84	SER	0	-0.095	-0.072	22.352	2.786	2.786	0.000	0.000	0.000	0.000
518	C	85	TRP	0	0.061	0.010	22.138	-2.262	-2.262	0.000	0.000	0.000	0.000
519	C	86	ILE	0	-0.018	-0.005	21.993	2.541	2.541	0.000	0.000	0.000	0.000
520	C	87	VAL	0	-0.006	-0.018	19.097	-0.831	-0.831	0.000	0.000	0.000	0.000
521	C	88	ARG	1	0.930	0.987	20.202	-42.812	-42.812	0.000	0.000	0.000	0.000
522	C	89	ILE	0	0.011	-0.009	15.710	-0.108	-0.108	0.000	0.000	0.000	0.000
523	C	90	ALA	0	-0.030	-0.010	19.459	-0.724	-0.724	0.000	0.000	0.000	0.000
524	C	91	TYR	0	-0.010	-0.047	13.676	0.745	0.745	0.000	0.000	0.000	0.000
525	C	92	PRO	0	0.055	0.053	18.331	-2.666	-2.666	0.000	0.000	0.000	0.000
526	C	93	PHE	0	0.027	-0.022	19.741	1.183	1.183	0.000	0.000	0.000	0.000
527	C	94	HIS	0	-0.092	-0.051	20.445	0.817	0.817	0.000	0.000	0.000	0.000
528	C	95	ALA	0	0.053	0.032	15.814	0.425	0.425	0.000	0.000	0.000	0.000
529	C	96	PHE	0	-0.042	-0.001	13.909	4.644	4.644	0.000	0.000	0.000	0.000
530	C	97	GLU	-1	-0.769	-0.862	16.547	57.375	57.375	0.000	0.000	0.000	0.000
531	C	98	GLU	-1	-0.909	-0.945	18.414	44.970	44.970	0.000	0.000	0.000	0.000
532	C	99	ALA	0	-0.007	-0.009	21.382	0.282	0.282	0.000	0.000	0.000	0.000
533	C	100	ASN	0	0.049	0.042	15.371	0.941	0.941	0.000	0.000	0.000	0.000
534	C	101	LEU	0	-0.005	-0.007	16.933	2.568	2.568	0.000	0.000	0.000	0.000
535	C	102	PRO	0	0.042	0.014	14.843	3.550	3.550	0.000	0.000	0.000	0.000
536	C	103	GLY	0	0.074	0.025	12.505	5.323	5.323	0.000	0.000	0.000	0.000
537	C	104	LEU	0	-0.045	-0.012	12.303	4.357	4.357	0.000	0.000	0.000	0.000
538	C	105	LEU	0	-0.040	-0.039	13.055	3.052	3.052	0.000	0.000	0.000	0.000
539	C	106	ALA	0	0.036	0.028	8.517	4.508	4.508	0.000	0.000	0.000	0.000
540	C	107	SER	0	-0.013	-0.010	8.150	11.659	11.659	0.000	0.000	0.000	0.000
541	C	108	ILE	0	-0.054	-0.029	10.088	3.454	3.454	0.000	0.000	0.000	0.000
542	C	109	ALA	0	-0.024	-0.015	11.042	-2.614	-2.614	0.000	0.000	0.000	0.000
543	C	110	GLY	0	0.103	0.052	7.074	0.398	0.398	0.000	0.000	0.000	0.000
546	C	113	PHE	0	-0.011	0.013	8.258	-2.920	-2.920	0.000	0.000	0.000	0.000
547	C	114	GLY	0	0.034	0.015	6.119	-7.039	-7.039	0.000	0.000	0.000	0.000
548	C	115	MET	0	-0.015	0.020	6.828	9.228	9.228	0.000	0.000	0.000	0.000
549	C	116	LYS	1	0.872	0.941	8.633	-122.245	-122.245	0.000	0.000	0.000	0.000
550	C	117	ARG	1	0.797	0.895	10.594	-94.848	-94.848	0.000	0.000	0.000	0.000
551	C	118	VAL	0	-0.010	0.006	12.394	-6.593	-6.593	0.000	0.000	0.000	0.000
552	C	119	LYS	1	0.933	0.968	13.002	-53.377	-53.377	0.000	0.000	0.000	0.000
553	C	120	GLY	0	-0.009	-0.001	14.998	0.206	0.206	0.000	0.000	0.000	0.000
554	C	121	LEU	0	0.001	-0.002	11.847	-1.613	-1.613	0.000	0.000	0.000	0.000
555	C	122	ARG	1	0.881	0.956	15.144	-50.813	-50.813	0.000	0.000	0.000	0.000
556	C	123	LEU	0	-0.024	0.007	15.142	-1.764	-1.764	0.000	0.000	0.000	0.000
557	C	124	GLU	-1	-0.873	-0.970	17.377	50.091	50.091	0.000	0.000	0.000	0.000
558	C	125	ASP	-1	-0.807	-0.923	20.703	44.533	44.533	0.000	0.000	0.000	0.000
559	C	126	LEU	0	0.011	0.004	17.658	2.710	2.710	0.000	0.000	0.000	0.000
560	C	127	TYR	0	-0.107	-0.051	20.969	-2.928	-2.928	0.000	0.000	0.000	0.000
561	C	128	PHE	0	0.054	0.017	19.701	1.662	1.662	0.000	0.000	0.000	0.000
562	C	129	PRO	0	0.061	0.040	23.913	-2.292	-2.292	0.000	0.000	0.000	0.000
563	C	130	GLU	-1	-0.852	-0.923	27.115	35.338	35.338	0.000	0.000	0.000	0.000
564	C	131	LYS	1	0.805	0.899	25.271	-45.087	-45.087	0.000	0.000	0.000	0.000
565	C	132	LEU	0	0.111	0.051	20.939	-0.290	-0.290	0.000	0.000	0.000	0.000
566	C	133	ILE	0	-0.052	-0.010	25.402	-0.242	-0.242	0.000	0.000	0.000	0.000
567	C	134	ARG	1	0.808	0.873	27.857	-35.612	-35.612	0.000	0.000	0.000	0.000
568	C	135	GLU	-1	-0.837	-0.905	23.240	47.770	47.770	0.000	0.000	0.000	0.000
569	C	136	PHE	0	-0.054	-0.016	21.716	1.318	1.318	0.000	0.000	0.000	0.000
570	C	137	ASP	-1	-0.849	-0.927	27.595	36.788	36.788	0.000	0.000	0.000	0.000
571	C	138	GLY	0	-0.048	-0.019	29.420	-1.229	-1.229	0.000	0.000	0.000	0.000
572	C	139	PRO	0	-0.065	-0.020	30.838	-0.268	-0.268	0.000	0.000	0.000	0.000
573	C	140	ALA	0	0.052	0.035	33.057	-0.727	-0.727	0.000	0.000	0.000	0.000
574	C	141	PHE	0	-0.067	-0.026	35.641	-1.297	-1.297	0.000	0.000	0.000	0.000
575	C	142	GLY	0	-0.018	-0.032	35.777	-0.580	-0.580	0.000	0.000	0.000	0.000
576	C	143	ILE	0	-0.045	-0.024	36.705	-0.648	-0.648	0.000	0.000	0.000	0.000
577	C	144	GLU	-1	-0.971	-0.984	39.164	27.113	27.113	0.000	0.000	0.000	0.000
578	C	145	GLY	0	0.004	0.002	40.567	-0.764	-0.764	0.000	0.000	0.000	0.000
579	C	146	VAL	0	0.030	0.019	38.021	-0.591	-0.591	0.000	0.000	0.000	0.000
580	C	147	ARG	1	0.796	0.888	41.351	-27.929	-27.929	0.000	0.000	0.000	0.000
581	C	148	LYS	1	0.908	0.950	44.330	-26.648	-26.648	0.000	0.000	0.000	0.000
582	C	149	MET	0	-0.038	0.009	40.244	-0.711	-0.711	0.000	0.000	0.000	0.000
583	C	150	LEU	0	0.005	-0.013	42.232	-0.476	-0.476	0.000	0.000	0.000	0.000
584	C	151	GLU	-1	-0.955	-0.976	46.384	22.904	22.904	0.000	0.000	0.000	0.000
585	C	152	ILE	0	-0.052	-0.010	45.944	-0.500	-0.500	0.000	0.000	0.000	0.000
586	C	153	LYS	1	0.891	0.941	46.845	-23.331	-23.331	0.000	0.000	0.000	0.000
587	C	154	ASP	-1	-0.845	-0.924	47.325	24.778	24.778	0.000	0.000	0.000	0.000
588	C	155	ARG	1	0.770	0.845	46.447	-24.886	-24.886	0.000	0.000	0.000	0.000
589	C	156	PRO	0	0.046	0.023	42.616	0.193	0.193	0.000	0.000	0.000	0.000
590	C	157	ILE	0	-0.013	0.009	41.170	-0.627	-0.627	0.000	0.000	0.000	0.000
591	C	158	TYR	0	-0.018	-0.033	41.645	0.274	0.274	0.000	0.000	0.000	0.000
592	C	159	GLY	0	0.031	0.005	41.407	-0.518	-0.518	0.000	0.000	0.000	0.000
593	C	160	VAL	0	-0.054	-0.022	40.682	0.252	0.252	0.000	0.000	0.000	0.000
594	C	161	VAL	0	0.046	0.037	35.253	-0.063	-0.063	0.000	0.000	0.000	0.000
595	C	162	PRO	0	-0.056	-0.027	38.403	-0.415	-0.415	0.000	0.000	0.000	0.000
596	C	163	LYS	1	0.838	0.924	34.794	-31.955	-31.955	0.000	0.000	0.000	0.000
597	C	164	PRO	0	0.007	-0.012	38.752	-0.813	-0.813	0.000	0.000	0.000	0.000
598	C	165	LYS	1	0.785	0.890	30.963	-36.115	-36.115	0.000	0.000	0.000	0.000
599	C	166	VAL	0	0.018	0.020	33.193	-0.021	-0.021	0.000	0.000	0.000	0.000
600	C	167	GLY	0	0.015	-0.005	36.348	-0.370	-0.370	0.000	0.000	0.000	0.000
601	C	168	TYR	0	-0.056	-0.012	37.901	-0.946	-0.946	0.000	0.000	0.000	0.000
602	C	169	SER	0	0.063	0.036	40.814	0.585	0.585	0.000	0.000	0.000	0.000
603	C	170	PRO	0	0.061	0.017	41.769	-0.039	-0.039	0.000	0.000	0.000	0.000
604	C	171	GLU	-1	-0.867	-0.944	43.854	25.171	25.171	0.000	0.000	0.000	0.000
605	C	172	GLU	-1	-0.814	-0.892	45.157	25.564	25.564	0.000	0.000	0.000	0.000
606	C	173	PHE	0	-0.013	-0.011	41.624	-0.139	-0.139	0.000	0.000	0.000	0.000
607	C	174	GLU	-1	-0.854	-0.912	44.973	23.555	23.555	0.000	0.000	0.000	0.000
608	C	175	LYS	1	0.890	0.943	47.710	-22.646	-22.646	0.000	0.000	0.000	0.000
609	C	176	LEU	0	-0.003	0.006	43.884	-0.269	-0.269	0.000	0.000	0.000	0.000
610	C	177	ALA	0	0.043	0.010	44.875	-0.099	-0.099	0.000	0.000	0.000	0.000
611	C	178	TYR	0	-0.046	-0.023	46.564	-0.193	-0.193	0.000	0.000	0.000	0.000
612	C	179	ASP	-1	-0.880	-0.939	50.179	22.427	22.427	0.000	0.000	0.000	0.000
613	C	180	LEU	0	-0.028	-0.020	44.750	-0.270	-0.270	0.000	0.000	0.000	0.000
614	C	181	LEU	0	0.000	0.007	44.868	-0.078	-0.078	0.000	0.000	0.000	0.000
615	C	182	SER	0	-0.008	-0.011	48.789	-0.334	-0.334	0.000	0.000	0.000	0.000
616	C	183	ASN	0	-0.097	-0.051	51.351	-0.777	-0.777	0.000	0.000	0.000	0.000
617	C	184	GLY	0	0.003	-0.002	50.344	-0.119	-0.119	0.000	0.000	0.000	0.000
618	C	185	ALA	0	-0.016	0.016	44.970	0.286	0.286	0.000	0.000	0.000	0.000
619	C	186	ASP	-1	-0.734	-0.856	44.034	25.611	25.611	0.000	0.000	0.000	0.000
620	C	187	TYR	0	-0.010	-0.005	38.163	0.282	0.282	0.000	0.000	0.000	0.000
621	C	188	MET	0	-0.006	0.020	41.240	-0.336	-0.336	0.000	0.000	0.000	0.000
622	C	189	KCX	-1	-0.517	-0.791	32.313	35.998	35.998	0.000	0.000	0.000	0.000
623	C	190	ASP	-1	-0.679	-0.829	34.251	31.470	31.470	0.000	0.000	0.000	0.000
624	C	191	ASP	0	0.259	0.065	33.347	0.560	0.560	0.000	0.000	0.000	0.000
625	C	192	GLU	0	0.265	0.051	27.625	-0.172	-0.172	0.000	0.000	0.000	0.000
626	C	501	merge:C:AS	-1	-1.662	-1.042	27.272	35.714	35.714	0.000	0.000	0.000	0.000
627	C	193	ASN	0	-0.010	0.024	28.491	0.313	0.313	0.000	0.000	0.000	0.000
628	C	194	LEU	0	-0.080	-0.020	29.505	-0.230	-0.230	0.000	0.000	0.000	0.000
629	C	195	THR	0	0.029	0.023	28.418	-0.259	-0.259	0.000	0.000	0.000	0.000
630	C	196	SER	0	0.064	0.053	31.808	-1.495	-1.495	0.000	0.000	0.000	0.000
631	C	197	PRO	0	0.006	0.019	33.442	-0.048	-0.048	0.000	0.000	0.000	0.000
632	C	198	TRP	0	-0.035	-0.037	34.820	-1.124	-1.124	0.000	0.000	0.000	0.000
633	C	199	TYR	0	-0.045	-0.042	33.987	-0.825	-0.825	0.000	0.000	0.000	0.000
634	C	200	ASN	0	-0.020	-0.048	37.722	-0.513	-0.513	0.000	0.000	0.000	0.000
635	C	201	ARG	1	0.958	0.999	35.328	-30.404	-30.404	0.000	0.000	0.000	0.000
636	C	202	PHE	0	0.055	0.000	34.382	-0.495	-0.495	0.000	0.000	0.000	0.000
637	C	203	GLU	-1	-0.830	-0.935	37.123	30.006	30.006	0.000	0.000	0.000	0.000
638	C	204	GLU	-1	-0.930	-0.959	39.987	26.689	26.689	0.000	0.000	0.000	0.000
639	C	205	ARG	1	0.770	0.871	34.516	-32.473	-32.473	0.000	0.000	0.000	0.000
640	C	206	ALA	0	0.022	0.017	39.666	-0.294	-0.294	0.000	0.000	0.000	0.000
641	C	207	GLU	-1	-0.907	-0.959	41.580	25.175	25.175	0.000	0.000	0.000	0.000
642	C	208	ILE	0	-0.085	-0.036	44.800	-0.638	-0.638	0.000	0.000	0.000	0.000
643	C	209	MET	0	-0.007	-0.020	41.892	-0.718	-0.718	0.000	0.000	0.000	0.000
644	C	210	ALA	0	0.038	0.034	44.871	-0.297	-0.297	0.000	0.000	0.000	0.000
645	C	211	LYS	1	0.897	0.965	46.263	-24.126	-24.126	0.000	0.000	0.000	0.000
646	C	212	ILE	0	-0.074	-0.052	47.533	-0.600	-0.600	0.000	0.000	0.000	0.000
647	C	213	ILE	0	-0.020	-0.013	43.827	-0.348	-0.348	0.000	0.000	0.000	0.000
648	C	214	ASP	-1	-0.863	-0.921	48.454	23.702	23.702	0.000	0.000	0.000	0.000
649	C	215	LYS	1	0.825	0.915	51.371	-21.940	-21.940	0.000	0.000	0.000	0.000
650	C	216	VAL	0	0.044	0.010	50.507	-0.349	-0.349	0.000	0.000	0.000	0.000
651	C	217	GLU	-1	-0.799	-0.877	48.677	24.332	24.332	0.000	0.000	0.000	0.000
652	C	218	ASN	0	-0.112	-0.042	52.872	-0.575	-0.575	0.000	0.000	0.000	0.000
653	C	219	GLU	-1	-0.875	-0.932	55.771	20.835	20.835	0.000	0.000	0.000	0.000
654	C	220	THR	0	-0.102	-0.072	53.891	-0.209	-0.209	0.000	0.000	0.000	0.000
655	C	221	GLY	0	-0.076	-0.027	55.793	-0.180	-0.180	0.000	0.000	0.000	0.000
656	C	222	GLU	-1	-0.931	-0.980	51.234	23.453	23.453	0.000	0.000	0.000	0.000
657	C	223	LYS	1	0.933	0.982	47.894	-23.891	-23.891	0.000	0.000	0.000	0.000
658	C	224	LYS	1	0.820	0.926	46.280	-24.195	-24.195	0.000	0.000	0.000	0.000
659	C	225	THR	0	-0.026	-0.038	40.693	0.040	0.040	0.000	0.000	0.000	0.000
660	C	226	TRP	0	-0.014	-0.027	37.883	-0.499	-0.499	0.000	0.000	0.000	0.000
661	C	227	PHE	0	-0.046	-0.026	34.908	0.366	0.366	0.000	0.000	0.000	0.000
662	C	228	ALA	0	0.078	0.047	35.636	0.321	0.321	0.000	0.000	0.000	0.000
663	C	229	ASN	0	-0.012	-0.012	29.142	1.483	1.483	0.000	0.000	0.000	0.000
664	C	230	ILE	0	0.005	0.001	28.688	-0.300	-0.300	0.000	0.000	0.000	0.000
665	C	231	THR	0	-0.041	-0.023	24.803	1.074	1.074	0.000	0.000	0.000	0.000
666	C	232	ALA	0	-0.006	-0.021	25.999	-0.896	-0.896	0.000	0.000	0.000	0.000
667	C	233	ASP	-1	-0.886	-0.939	22.746	48.611	48.611	0.000	0.000	0.000	0.000
668	C	234	LEU	0	0.028	0.001	23.634	-1.170	-1.170	0.000	0.000	0.000	0.000
669	C	235	LEU	0	0.033	0.013	25.399	-1.067	-1.067	0.000	0.000	0.000	0.000
670	C	236	GLU	-1	-0.888	-0.950	28.326	37.575	37.575	0.000	0.000	0.000	0.000
671	C	237	MET	0	-0.116	-0.046	24.059	-1.005	-1.005	0.000	0.000	0.000	0.000
672	C	238	GLU	-1	-0.813	-0.884	29.147	38.114	38.114	0.000	0.000	0.000	0.000
673	C	239	GLN	0	0.013	0.010	31.363	-1.291	-1.291	0.000	0.000	0.000	0.000
674	C	240	ARG	1	0.803	0.881	30.776	-37.123	-37.123	0.000	0.000	0.000	0.000
675	C	241	LEU	0	-0.005	-0.012	30.575	-0.750	-0.750	0.000	0.000	0.000	0.000
676	C	242	GLU	-1	-0.928	-0.949	34.598	30.181	30.181	0.000	0.000	0.000	0.000
677	C	243	VAL	0	-0.005	-0.004	37.285	-0.902	-0.902	0.000	0.000	0.000	0.000
678	C	244	LEU	0	-0.087	-0.047	35.462	-0.781	-0.781	0.000	0.000	0.000	0.000
679	C	245	ALA	0	0.013	0.011	38.854	-0.718	-0.718	0.000	0.000	0.000	0.000
680	C	246	ASP	-1	-0.922	-0.953	40.542	27.684	27.684	0.000	0.000	0.000	0.000
681	C	247	LEU	0	-0.107	-0.053	42.139	-0.785	-0.785	0.000	0.000	0.000	0.000
682	C	248	GLY	0	-0.042	-0.005	43.681	-0.505	-0.505	0.000	0.000	0.000	0.000
683	C	249	LEU	0	-0.075	-0.034	40.838	-0.243	-0.243	0.000	0.000	0.000	0.000
684	C	250	LYS	1	0.904	0.934	40.999	-25.973	-25.973	0.000	0.000	0.000	0.000
685	C	251	HIS	0	-0.026	-0.009	36.263	-0.065	-0.065	0.000	0.000	0.000	0.000
686	C	252	ALA	0	0.058	0.042	32.959	-0.238	-0.238	0.000	0.000	0.000	0.000
687	C	253	MET	0	-0.084	-0.025	30.293	0.084	0.084	0.000	0.000	0.000	0.000
688	C	254	VAL	0	0.028	0.018	25.413	0.218	0.218	0.000	0.000	0.000	0.000
689	C	255	ASP	-1	-0.791	-0.904	24.271	41.627	41.627	0.000	0.000	0.000	0.000
690	C	256	VAL	0	-0.027	-0.012	23.199	1.820	1.820	0.000	0.000	0.000	0.000
691	C	257	VAL	0	-0.062	-0.023	18.183	1.883	1.883	0.000	0.000	0.000	0.000
692	C	258	ILE	0	-0.030	-0.004	18.338	2.946	2.946	0.000	0.000	0.000	0.000
693	C	259	THR	0	0.009	-0.011	18.901	1.402	1.402	0.000	0.000	0.000	0.000
694	C	260	GLY	0	0.000	0.002	17.435	1.775	1.775	0.000	0.000	0.000	0.000
695	C	261	TRP	0	-0.017	-0.037	14.908	-4.044	-4.044	0.000	0.000	0.000	0.000
696	C	262	GLY	0	0.007	0.023	17.223	-1.388	-1.388	0.000	0.000	0.000	0.000
697	C	263	ALA	0	0.066	0.027	18.266	-1.391	-1.391	0.000	0.000	0.000	0.000
698	C	264	LEU	0	-0.033	-0.006	21.329	-2.258	-2.258	0.000	0.000	0.000	0.000
699	C	265	ARG	1	0.909	0.942	22.974	-46.319	-46.319	0.000	0.000	0.000	0.000
700	C	266	TYR	0	-0.008	-0.030	24.620	-1.308	-1.308	0.000	0.000	0.000	0.000
701	C	267	ILE	0	0.042	0.022	25.552	-1.465	-1.465	0.000	0.000	0.000	0.000
702	C	268	ARG	1	0.801	0.881	27.328	-39.305	-39.305	0.000	0.000	0.000	0.000
703	C	269	ASP	-1	-0.857	-0.938	28.889	38.468	38.468	0.000	0.000	0.000	0.000
704	C	270	LEU	0	0.024	0.035	30.493	-1.201	-1.201	0.000	0.000	0.000	0.000
705	C	271	ALA	0	-0.008	-0.015	31.779	-1.194	-1.194	0.000	0.000	0.000	0.000
706	C	272	ALA	0	-0.072	-0.031	33.293	-1.178	-1.178	0.000	0.000	0.000	0.000
707	C	273	ASP	-1	-0.933	-0.958	34.905	32.743	32.743	0.000	0.000	0.000	0.000
708	C	274	TYR	0	-0.044	-0.033	34.805	-0.825	-0.825	0.000	0.000	0.000	0.000
709	C	275	GLY	0	-0.058	-0.014	38.152	-0.787	-0.787	0.000	0.000	0.000	0.000
710	C	276	LEU	0	-0.054	-0.026	35.759	-0.536	-0.536	0.000	0.000	0.000	0.000
711	C	277	ALA	0	-0.054	-0.017	35.714	0.783	0.783	0.000	0.000	0.000	0.000
712	C	278	ILE	0	0.016	-0.006	29.493	0.163	0.163	0.000	0.000	0.000	0.000
713	C	279	HIS	0	-0.076	-0.047	32.161	-0.389	-0.389	0.000	0.000	0.000	0.000
714	C	280	GLY	0	0.037	0.009	28.148	0.631	0.631	0.000	0.000	0.000	0.000
715	C	281	HIS	0	0.068	0.012	27.362	0.911	0.911	0.000	0.000	0.000	0.000
716	C	282	ARG	1	0.780	0.844	23.892	-40.180	-40.180	0.000	0.000	0.000	0.000
717	C	283	ALA	0	0.035	0.018	23.084	1.792	1.792	0.000	0.000	0.000	0.000
718	C	284	MET	0	0.021	0.015	17.390	2.321	2.321	0.000	0.000	0.000	0.000
719	C	285	HIS	1	0.827	0.895	19.196	-44.418	-44.418	0.000	0.000	0.000	0.000
720	C	286	ALA	0	-0.002	0.009	19.565	1.682	1.682	0.000	0.000	0.000	0.000
721	C	287	ALA	0	-0.043	-0.006	16.737	0.164	0.164	0.000	0.000	0.000	0.000
722	C	288	PHE	0	0.024	-0.013	14.854	2.674	2.674	0.000	0.000	0.000	0.000
723	C	289	ASP	-1	-0.778	-0.859	16.835	50.411	50.411	0.000	0.000	0.000	0.000
724	C	290	ARG	1	0.851	0.929	20.092	-46.071	-46.071	0.000	0.000	0.000	0.000
725	C	291	ASN	0	-0.025	-0.014	18.017	-3.404	-3.404	0.000	0.000	0.000	0.000
726	C	292	PRO	0	0.044	0.012	20.523	1.710	1.710	0.000	0.000	0.000	0.000
727	C	293	TYR	0	-0.077	-0.047	19.888	-0.222	-0.222	0.000	0.000	0.000	0.000
728	C	294	HIS	0	-0.096	-0.063	11.673	-0.422	-0.422	0.000	0.000	0.000	0.000
729	C	295	GLY	0	0.047	0.039	14.660	-2.005	-2.005	0.000	0.000	0.000	0.000
730	C	296	ILE	0	-0.020	-0.012	13.524	0.774	0.774	0.000	0.000	0.000	0.000
731	C	297	SER	0	0.033	0.017	17.356	-2.615	-2.615	0.000	0.000	0.000	0.000
732	C	298	MET	0	0.032	0.033	21.033	0.986	0.986	0.000	0.000	0.000	0.000
733	C	299	PHE	0	-0.008	0.000	23.311	-0.732	-0.732	0.000	0.000	0.000	0.000
734	C	300	VAL	0	0.009	0.007	18.335	-0.911	-0.911	0.000	0.000	0.000	0.000
735	C	301	LEU	0	-0.003	-0.001	18.441	-0.339	-0.339	0.000	0.000	0.000	0.000
736	C	302	ALA	0	0.006	0.005	21.992	-1.004	-1.004	0.000	0.000	0.000	0.000
737	C	303	LYS	1	0.844	0.933	23.816	-47.363	-47.363	0.000	0.000	0.000	0.000
738	C	304	LEU	0	-0.002	-0.008	18.560	-1.022	-1.022	0.000	0.000	0.000	0.000
739	C	305	TYR	0	0.061	0.019	20.082	-0.596	-0.596	0.000	0.000	0.000	0.000
740	C	306	ARG	1	0.797	0.905	25.015	-37.953	-37.953	0.000	0.000	0.000	0.000
741	C	307	LEU	0	-0.046	-0.037	24.232	-1.225	-1.225	0.000	0.000	0.000	0.000
742	C	308	ILE	0	0.025	0.007	21.452	-0.729	-0.729	0.000	0.000	0.000	0.000
743	C	309	GLY	0	-0.005	-0.002	25.979	-0.921	-0.921	0.000	0.000	0.000	0.000
744	C	310	ILE	0	-0.025	-0.004	26.326	-0.922	-0.922	0.000	0.000	0.000	0.000
745	C	311	ASP	-1	-0.725	-0.848	29.665	34.032	34.032	0.000	0.000	0.000	0.000
746	C	312	GLN	0	-0.010	0.001	32.334	-1.662	-1.662	0.000	0.000	0.000	0.000
747	C	313	LEU	0	0.027	0.031	25.954	1.042	1.042	0.000	0.000	0.000	0.000
748	C	314	HIS	0	0.019	0.017	28.588	-1.271	-1.271	0.000	0.000	0.000	0.000
749	C	315	VAL	0	-0.003	-0.009	28.325	1.453	1.453	0.000	0.000	0.000	0.000
750	C	316	GLY	0	0.046	0.017	29.604	0.912	0.912	0.000	0.000	0.000	0.000
751	C	317	THR	0	0.016	0.004	31.336	-0.980	-0.980	0.000	0.000	0.000	0.000
752	C	318	ALA	0	0.025	0.005	33.489	-0.920	-0.920	0.000	0.000	0.000	0.000
753	C	319	GLY	0	0.017	0.011	34.146	-0.733	-0.733	0.000	0.000	0.000	0.000
754	C	320	ALA	0	-0.026	-0.015	35.524	-0.333	-0.333	0.000	0.000	0.000	0.000
755	C	321	GLY	0	0.062	0.029	35.650	-0.755	-0.755	0.000	0.000	0.000	0.000
756	C	322	LYS	1	0.760	0.865	32.827	-33.679	-33.679	0.000	0.000	0.000	0.000
757	C	323	LEU	0	-0.029	-0.012	28.367	0.446	0.446	0.000	0.000	0.000	0.000
758	C	324	GLU	-1	-0.997	-1.007	26.441	41.972	41.972	0.000	0.000	0.000	0.000
759	C	325	GLY	0	0.091	0.037	28.702	0.544	0.544	0.000	0.000	0.000	0.000
760	C	326	GLY	0	-0.015	0.004	29.933	-1.480	-1.480	0.000	0.000	0.000	0.000
761	C	327	LYS	1	0.975	0.976	32.035	-29.930	-29.930	0.000	0.000	0.000	0.000
762	C	328	TRP	0	-0.026	-0.013	29.255	0.195	0.195	0.000	0.000	0.000	0.000
763	C	329	ASP	-1	-0.819	-0.917	28.278	41.782	41.782	0.000	0.000	0.000	0.000
764	C	330	VAL	0	-0.079	-0.030	29.940	0.466	0.466	0.000	0.000	0.000	0.000
765	C	331	ILE	0	0.008	0.003	31.647	-0.077	-0.077	0.000	0.000	0.000	0.000
766	C	332	GLN	0	0.041	0.029	29.753	-0.142	-0.142	0.000	0.000	0.000	0.000
767	C	333	ASN	0	-0.009	0.000	27.415	1.208	1.208	0.000	0.000	0.000	0.000
768	C	334	ALA	0	0.014	0.002	29.717	0.048	0.048	0.000	0.000	0.000	0.000
769	C	335	ARG	1	0.753	0.843	32.879	-34.571	-34.571	0.000	0.000	0.000	0.000
770	C	336	ILE	0	-0.035	-0.005	27.288	-0.606	-0.606	0.000	0.000	0.000	0.000
771	C	337	LEU	0	0.010	0.014	28.530	0.383	0.383	0.000	0.000	0.000	0.000
772	C	338	ARG	1	0.837	0.915	31.449	-32.473	-32.473	0.000	0.000	0.000	0.000
773	C	339	GLU	-1	-0.802	-0.873	34.471	32.799	32.799	0.000	0.000	0.000	0.000
774	C	340	SER	0	0.022	0.017	34.020	0.924	0.924	0.000	0.000	0.000	0.000
775	C	341	HIS	0	-0.106	-0.089	34.637	0.065	0.065	0.000	0.000	0.000	0.000
776	C	342	TYR	0	0.002	0.010	29.997	-0.503	-0.503	0.000	0.000	0.000	0.000
777	C	343	LYS	1	0.925	0.951	32.996	-31.467	-31.467	0.000	0.000	0.000	0.000
778	C	344	PRO	0	0.036	0.037	31.080	-0.737	-0.737	0.000	0.000	0.000	0.000
779	C	345	ASP	-1	-0.841	-0.925	33.232	32.742	32.742	0.000	0.000	0.000	0.000
780	C	346	GLU	-1	-0.927	-0.974	34.358	32.099	32.099	0.000	0.000	0.000	0.000
781	C	347	ASN	0	-0.088	-0.050	35.202	0.975	0.975	0.000	0.000	0.000	0.000
782	C	348	ASP	-1	-0.793	-0.871	29.519	41.406	41.406	0.000	0.000	0.000	0.000
783	C	349	VAL	0	-0.002	-0.004	27.627	0.246	0.246	0.000	0.000	0.000	0.000
784	C	350	PHE	0	-0.049	-0.029	24.692	1.576	1.576	0.000	0.000	0.000	0.000
785	C	351	HIS	1	0.814	0.892	24.913	-41.506	-41.506	0.000	0.000	0.000	0.000
786	C	352	LEU	0	0.007	0.003	24.692	-1.219	-1.219	0.000	0.000	0.000	0.000
787	C	353	GLU	-1	-0.884	-0.935	28.159	34.512	34.512	0.000	0.000	0.000	0.000
788	C	354	GLN	0	0.006	-0.012	26.510	2.762	2.762	0.000	0.000	0.000	0.000
789	C	355	LYS	1	0.848	0.946	30.247	-34.389	-34.389	0.000	0.000	0.000	0.000
790	C	356	PHE	0	0.090	0.029	28.076	1.059	1.059	0.000	0.000	0.000	0.000
791	C	357	TYR	0	-0.045	-0.038	31.668	-0.547	-0.547	0.000	0.000	0.000	0.000
792	C	358	SER	0	0.018	0.000	34.908	-0.525	-0.525	0.000	0.000	0.000	0.000
793	C	359	ILE	0	-0.003	0.034	29.892	-0.536	-0.536	0.000	0.000	0.000	0.000
794	C	360	LYS	1	0.951	0.982	33.299	-31.474	-31.474	0.000	0.000	0.000	0.000
795	C	361	ALA	0	-0.006	0.011	33.546	1.063	1.063	0.000	0.000	0.000	0.000
796	C	362	ALA	0	0.056	0.028	31.622	-0.506	-0.506	0.000	0.000	0.000	0.000
797	C	363	PHE	0	0.019	-0.024	33.590	-0.407	-0.407	0.000	0.000	0.000	0.000
798	C	364	PRO	0	-0.037	-0.006	32.954	0.725	0.725	0.000	0.000	0.000	0.000
799	C	365	THR	0	0.007	0.014	32.720	-1.354	-1.354	0.000	0.000	0.000	0.000
800	C	366	SER	0	-0.038	-0.023	32.969	0.848	0.848	0.000	0.000	0.000	0.000
801	C	367	SER	0	0.014	-0.020	33.140	-1.353	-1.353	0.000	0.000	0.000	0.000
802	C	368	GLY	0	0.095	0.053	33.134	0.939	0.939	0.000	0.000	0.000	0.000
803	C	369	GLY	0	-0.068	-0.037	34.600	-0.060	-0.060	0.000	0.000	0.000	0.000
804	C	370	LEU	0	-0.038	-0.010	37.267	-0.522	-0.522	0.000	0.000	0.000	0.000
805	C	371	HIS	0	0.000	-0.031	39.902	-0.623	-0.623	0.000	0.000	0.000	0.000
806	C	372	PRO	0	0.025	0.003	43.644	0.060	0.060	0.000	0.000	0.000	0.000
807	C	373	GLY	0	-0.002	0.008	46.467	-0.257	-0.257	0.000	0.000	0.000	0.000
808	C	374	ASN	0	-0.068	-0.039	40.565	-0.273	-0.273	0.000	0.000	0.000	0.000
809	C	375	ILE	0	0.089	0.037	41.756	0.628	0.628	0.000	0.000	0.000	0.000
810	C	376	GLN	0	0.015	0.007	43.305	0.475	0.475	0.000	0.000	0.000	0.000
811	C	377	PRO	0	-0.015	-0.007	41.503	0.073	0.073	0.000	0.000	0.000	0.000
812	C	378	VAL	0	-0.005	0.007	37.945	0.478	0.478	0.000	0.000	0.000	0.000
813	C	379	ILE	0	0.012	-0.005	40.200	0.382	0.382	0.000	0.000	0.000	0.000
814	C	380	GLU	-1	-0.996	-0.978	42.712	26.578	26.578	0.000	0.000	0.000	0.000
815	C	381	ALA	0	-0.064	-0.030	38.397	0.219	0.219	0.000	0.000	0.000	0.000
816	C	382	LEU	0	0.001	0.001	35.479	0.648	0.648	0.000	0.000	0.000	0.000
817	C	383	GLY	0	0.046	0.040	39.116	0.237	0.237	0.000	0.000	0.000	0.000
818	C	384	THR	0	0.018	-0.015	41.970	0.260	0.260	0.000	0.000	0.000	0.000
819	C	385	ASP	-1	-0.862	-0.914	39.894	28.552	28.552	0.000	0.000	0.000	0.000
820	C	386	ILE	0	-0.060	-0.034	37.394	0.966	0.966	0.000	0.000	0.000	0.000
821	C	387	VAL	0	0.024	0.012	36.588	-0.955	-0.955	0.000	0.000	0.000	0.000
822	C	388	LEU	0	-0.012	-0.023	37.287	0.757	0.757	0.000	0.000	0.000	0.000
823	C	389	GLN	0	0.061	0.013	35.858	-1.202	-1.202	0.000	0.000	0.000	0.000
824	C	390	LEU	0	-0.086	-0.033	38.231	0.156	0.156	0.000	0.000	0.000	0.000
825	C	391	GLY	0	0.154	0.099	38.902	-0.626	-0.626	0.000	0.000	0.000	0.000
826	C	392	GLY	0	0.006	-0.015	39.372	-0.863	-0.863	0.000	0.000	0.000	0.000
827	C	393	GLY	0	-0.081	-0.040	41.178	-0.738	-0.738	0.000	0.000	0.000	0.000
828	C	394	THR	0	-0.018	-0.013	43.169	-0.779	-0.779	0.000	0.000	0.000	0.000
829	C	395	LEU	0	0.003	-0.018	42.334	-0.779	-0.779	0.000	0.000	0.000	0.000
830	C	396	GLY	0	-0.009	0.017	44.979	-0.403	-0.403	0.000	0.000	0.000	0.000
831	C	397	HIS	0	-0.032	-0.016	46.241	-0.280	-0.280	0.000	0.000	0.000	0.000
832	C	398	PRO	0	-0.049	-0.027	49.393	-0.127	-0.127	0.000	0.000	0.000	0.000
833	C	399	ASP	-1	-0.873	-0.931	52.437	21.177	21.177	0.000	0.000	0.000	0.000
834	C	400	GLY	0	0.000	0.006	51.325	-0.281	-0.281	0.000	0.000	0.000	0.000
835	C	401	PRO	0	0.044	0.004	47.476	0.046	0.046	0.000	0.000	0.000	0.000
836	C	402	ALA	0	0.022	0.016	49.219	0.140	0.140	0.000	0.000	0.000	0.000
837	C	403	ALA	0	0.001	-0.012	51.775	-0.079	-0.079	0.000	0.000	0.000	0.000
838	C	404	GLY	0	0.040	0.021	48.924	-0.029	-0.029	0.000	0.000	0.000	0.000
839	C	405	ALA	0	0.057	0.027	47.986	0.211	0.211	0.000	0.000	0.000	0.000
840	C	406	ARG	1	0.832	0.906	48.937	-21.719	-21.719	0.000	0.000	0.000	0.000
841	C	407	ALA	0	-0.047	-0.020	50.406	-0.163	-0.163	0.000	0.000	0.000	0.000
842	C	408	VAL	0	0.002	0.012	45.060	-0.003	-0.003	0.000	0.000	0.000	0.000
843	C	409	ARG	1	0.883	0.936	48.295	-23.946	-23.946	0.000	0.000	0.000	0.000
844	C	410	GLN	0	0.019	0.006	50.115	-0.139	-0.139	0.000	0.000	0.000	0.000
845	C	411	ALA	0	-0.012	-0.003	48.566	-0.194	-0.194	0.000	0.000	0.000	0.000
846	C	412	ILE	0	-0.006	-0.008	45.451	0.003	0.003	0.000	0.000	0.000	0.000
847	C	413	ASP	-1	-0.910	-0.950	49.033	22.860	22.860	0.000	0.000	0.000	0.000
848	C	414	ALA	0	-0.062	-0.031	52.386	-0.244	-0.244	0.000	0.000	0.000	0.000
849	C	415	ILE	0	-0.011	-0.009	46.732	-0.120	-0.120	0.000	0.000	0.000	0.000
850	C	416	MET	0	-0.040	-0.009	48.827	0.246	0.246	0.000	0.000	0.000	0.000
851	C	417	GLN	0	-0.041	-0.023	51.377	-0.563	-0.563	0.000	0.000	0.000	0.000
852	C	418	GLY	0	0.000	0.017	53.134	-0.354	-0.354	0.000	0.000	0.000	0.000
853	C	419	ILE	0	-0.075	-0.028	54.136	-0.362	-0.362	0.000	0.000	0.000	0.000
854	C	420	PRO	0	0.004	-0.006	53.616	0.351	0.351	0.000	0.000	0.000	0.000
855	C	421	LEU	0	0.048	0.000	48.676	-0.356	-0.356	0.000	0.000	0.000	0.000
856	C	422	ASP	-1	-0.859	-0.938	53.394	22.376	22.376	0.000	0.000	0.000	0.000
857	C	423	GLU	-1	-0.892	-0.938	56.218	19.605	19.605	0.000	0.000	0.000	0.000
858	C	424	TYR	0	0.036	0.012	55.250	-0.505	-0.505	0.000	0.000	0.000	0.000
859	C	425	ALA	0	0.021	0.015	55.598	-0.144	-0.144	0.000	0.000	0.000	0.000
860	C	426	LYS	1	0.808	0.904	57.446	-20.152	-20.152	0.000	0.000	0.000	0.000
861	C	427	THR	0	-0.041	-0.018	60.766	-0.192	-0.192	0.000	0.000	0.000	0.000
862	C	428	HIS	1	0.838	0.931	57.069	-20.982	-20.982	0.000	0.000	0.000	0.000
863	C	429	LYS	1	1.023	1.013	57.478	-19.837	-19.837	0.000	0.000	0.000	0.000
864	C	430	GLU	-1	-0.789	-0.887	53.978	21.350	21.350	0.000	0.000	0.000	0.000
865	C	431	LEU	0	0.054	0.041	51.582	0.371	0.371	0.000	0.000	0.000	0.000
866	C	432	ALA	0	-0.004	-0.006	53.189	0.308	0.308	0.000	0.000	0.000	0.000
867	C	433	ARG	1	0.806	0.897	54.701	-21.426	-21.426	0.000	0.000	0.000	0.000
868	C	434	ALA	0	0.016	0.016	49.421	0.243	0.243	0.000	0.000	0.000	0.000
869	C	435	LEU	0	-0.057	-0.039	50.084	0.417	0.417	0.000	0.000	0.000	0.000
870	C	436	GLU	-1	-0.951	-0.965	51.706	21.424	21.424	0.000	0.000	0.000	0.000
871	C	437	LYS	1	0.790	0.893	47.054	-25.014	-25.014	0.000	0.000	0.000	0.000
872	C	438	TRP	0	0.023	0.003	44.939	0.168	0.168	0.000	0.000	0.000	0.000
873	C	439	GLY	0	0.017	0.026	47.225	0.303	0.303	0.000	0.000	0.000	0.000
874	C	440	HIS	1	0.851	0.907	46.556	-24.331	-24.331	0.000	0.000	0.000	0.000
875	C	441	VAL	0	0.009	0.020	42.708	0.366	0.366	0.000	0.000	0.000	0.000
876	C	442	THR	0	-0.001	0.016	37.833	-0.070	-0.070	0.000	0.000	0.000	0.000
877	C	443	PRO	0	-0.016	0.017	38.212	0.063	0.063	0.000	0.000	0.000	0.000
878	C	444	VAL	0	0.044	0.037	34.199	0.481	0.481	0.000	0.000	0.000	0.000
879	C	502	CAP	-4	-3.237	-3.678	28.313	141.039	141.039	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #439(A:502:CAP)