FMO DATABASE

FMODB ID: 43JGN

Calculation Name: 5HAT-AB-Xray434

Preferred Name:

Target Type:

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

ligand 3-letter code: CAP

PDB ID: 5HAT

Chain ID: AB

ChEMBL ID:

UniProt ID: Q6N0W9

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	914
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-27296557.670436
FMO2-HF: Nuclear repulsion	26940027.918664
FMO2-HF: Total energy	-356529.751772
FMO2-MP2: Total energy	-357560.445009

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.
-825.560	-810.264	152.575	-85.340	-82.534	-0.686

Interactive mode: IFIE and PIEDA for fragment #913(A:500:CAP)

Summations of interaction energy for fragment #913(A:500: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.
-825.56	-810.264	152.575	-85.34	-82.534	0.686

Interaction energy analysis for fragmet #913(A:500:CAP)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : -4 / q_Mulliken : -3.176 / q_NPA : -3.604

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].
165	A	165	ILE	0	0.009	0.003	2.172	-12.688	-9.292	3.057	-2.341	-4.112	0.013
166	A	166	ILE	0	0.001	0.000	5.183	1.668	1.775	-0.001	-0.003	-0.102	0.000
167	A	167	LYS	1	0.880	0.931	2.184	-239.177	-235.629	7.146	-4.661	-6.033	0.068
169	A	169	LYS	1	0.793	0.900	4.402	-160.140	-159.712	-0.001	-0.189	-0.238	0.000
192	A	192	KCX	-1	-0.542	-0.837	1.937	178.312	176.816	16.939	-6.858	-8.584	-0.084
194	A	194	ASP	0	0.174	0.032	4.206	5.611	5.753	-0.001	-0.047	-0.094	0.000
195	A	195	GLU	0	0.094	-0.062	3.785	-15.497	-15.160	-0.001	-0.080	-0.256	0.000
289	A	288	HIS	0	0.206	0.106	1.830	7.826	3.193	15.820	-6.166	-5.022	-0.047
290	A	289	ARG	1	0.807	0.870	1.818	-288.629	-286.317	20.622	-13.263	-9.672	0.177
291	A	290	ALA	0	0.037	0.026	4.492	0.440	0.533	-0.001	-0.017	-0.075	0.000
292	A	291	GLY	0	0.054	0.021	5.282	-11.917	-11.875	-0.001	-0.001	-0.040	0.000
293	A	292	HIS	0	-0.017	-0.022	4.152	8.682	9.332	0.032	-0.203	-0.479	0.000
323	A	322	HIS	0	0.025	0.043	1.907	-65.175	-60.272	9.621	-7.587	-6.937	0.105
324	A	323	THR	0	-0.002	-0.011	4.606	-4.542	-4.327	-0.001	-0.030	-0.184	0.000
325	A	324	GLY	0	0.031	0.030	3.124	-11.481	-9.613	0.174	-1.018	-1.024	0.009
326	A	325	THR	0	-0.033	-0.025	3.999	-27.608	-27.258	0.009	-0.141	-0.219	0.001
331	A	330	LYS	1	0.706	0.838	1.829	-280.371	-281.271	13.006	-6.870	-5.237	0.081
332	A	331	ALA	0	0.004	0.006	4.254	-8.460	-8.287	0.002	-0.060	-0.115	0.000
369	A	368	ILE	0	-0.032	-0.022	5.059	18.474	18.702	-0.001	-0.006	-0.220	0.000
370	A	369	SER	0	0.052	0.009	1.972	-25.884	-20.414	6.515	-5.787	-6.199	0.035
371	A	370	GLY	0	0.077	0.043	2.299	7.459	11.706	3.247	-3.333	-4.162	0.017
372	A	371	GLY	0	-0.032	-0.018	1.809	-54.808	-57.992	11.640	-4.055	-4.401	0.070
373	A	372	MET	0	-0.038	-0.006	3.563	-35.956	-35.177	0.049	-0.223	-0.604	0.007
374	A	373	ASN	0	0.020	-0.023	4.843	3.190	3.349	-0.001	-0.005	-0.152	0.000
393	A	392	THR	0	-0.060	-0.024	3.932	-12.911	-12.699	-0.001	-0.027	-0.185	0.000
394	A	393	ALA	0	0.020	0.004	2.992	14.848	16.860	0.219	-1.097	-1.134	0.009
395	A	394	GLY	0	0.008	0.019	1.892	-47.125	-47.355	10.049	-5.961	-3.858	0.081
396	A	395	GLY	0	0.032	-0.009	1.877	-54.596	-56.617	9.057	-3.376	-3.660	0.055
397	A	396	GLY	0	-0.045	-0.021	3.727	-32.196	-31.331	0.033	-0.426	-0.471	0.005
510	B	54	THR	0	-0.028	-0.044	1.643	-20.165	-26.625	19.525	-8.848	-4.217	0.076
511	B	55	ASN	0	-0.029	-0.021	4.286	-6.099	-5.570	0.002	-0.166	-0.365	0.000
512	B	56	VAL	0	-0.020	-0.002	4.911	-14.006	-13.885	-0.001	-0.002	-0.119	0.000
568	B	112	ASN	0	0.098	0.003	2.089	-9.092	-8.140	5.823	-2.489	-4.287	0.008
569	B	113	ASN	0	-0.023	-0.024	4.955	3.481	3.563	-0.001	-0.004	-0.077	0.000
1	A	1	MET	0	-0.011	-0.009	40.370	-0.035	-0.035	0.000	0.000	0.000	0.000
2	A	2	ASP	-1	-0.829	-0.902	39.891	29.280	29.280	0.000	0.000	0.000	0.000
3	A	3	GLN	0	-0.014	-0.023	37.160	-0.737	-0.737	0.000	0.000	0.000	0.000
4	A	4	SER	0	-0.007	-0.028	38.359	0.271	0.271	0.000	0.000	0.000	0.000
5	A	5	ASN	0	-0.001	-0.008	39.399	0.316	0.316	0.000	0.000	0.000	0.000
6	A	6	ARG	1	0.773	0.888	39.139	-29.717	-29.717	0.000	0.000	0.000	0.000
7	A	7	TYR	0	-0.013	-0.014	34.947	-0.123	-0.123	0.000	0.000	0.000	0.000
8	A	8	ALA	0	-0.002	0.008	35.283	1.175	1.175	0.000	0.000	0.000	0.000
9	A	9	ASN	0	0.001	-0.008	36.587	-1.104	-1.104	0.000	0.000	0.000	0.000
10	A	10	LEU	0	0.019	0.009	35.213	0.429	0.429	0.000	0.000	0.000	0.000
11	A	11	ASN	0	-0.032	-0.003	37.745	0.139	0.139	0.000	0.000	0.000	0.000
12	A	12	LEU	0	-0.048	-0.011	35.955	-0.342	-0.342	0.000	0.000	0.000	0.000
13	A	13	LYS	1	0.987	0.998	36.467	-28.131	-28.131	0.000	0.000	0.000	0.000
14	A	14	GLU	-1	-0.717	-0.854	28.980	39.517	39.517	0.000	0.000	0.000	0.000
15	A	15	SER	0	-0.011	-0.011	32.700	0.414	0.414	0.000	0.000	0.000	0.000
16	A	16	GLU	-1	-0.922	-0.965	34.384	29.123	29.123	0.000	0.000	0.000	0.000
17	A	17	LEU	0	-0.021	-0.008	32.457	-0.119	-0.119	0.000	0.000	0.000	0.000
18	A	18	ILE	0	-0.029	-0.006	29.144	0.289	0.289	0.000	0.000	0.000	0.000
19	A	19	ALA	0	-0.039	-0.020	31.857	0.038	0.038	0.000	0.000	0.000	0.000
20	A	20	GLY	0	-0.009	0.002	35.023	-0.383	-0.383	0.000	0.000	0.000	0.000
21	A	21	GLY	0	-0.007	-0.003	31.987	-0.316	-0.316	0.000	0.000	0.000	0.000
22	A	22	ARG	1	0.844	0.917	32.578	-32.128	-32.128	0.000	0.000	0.000	0.000
23	A	23	HIS	0	0.063	0.022	30.653	0.011	0.011	0.000	0.000	0.000	0.000
24	A	24	VAL	0	-0.011	0.006	24.265	0.577	0.577	0.000	0.000	0.000	0.000
25	A	25	LEU	0	-0.030	0.008	25.815	-1.037	-1.037	0.000	0.000	0.000	0.000
26	A	26	CYS	0	-0.031	-0.001	22.680	2.075	2.075	0.000	0.000	0.000	0.000
27	A	27	ALA	0	0.041	0.034	22.419	-2.000	-2.000	0.000	0.000	0.000	0.000
28	A	28	TYR	0	-0.010	-0.027	21.577	2.312	2.312	0.000	0.000	0.000	0.000
29	A	29	ILE	0	0.007	0.019	21.067	-1.571	-1.571	0.000	0.000	0.000	0.000
30	A	30	MET	0	-0.060	-0.033	22.628	1.271	1.271	0.000	0.000	0.000	0.000
31	A	31	LYS	1	0.946	0.976	25.461	-40.973	-40.973	0.000	0.000	0.000	0.000
32	A	32	PRO	0	0.046	0.016	27.793	0.603	0.603	0.000	0.000	0.000	0.000
33	A	33	LYS	1	0.802	0.911	29.259	-38.276	-38.276	0.000	0.000	0.000	0.000
34	A	34	ALA	0	-0.014	-0.011	31.871	-0.891	-0.891	0.000	0.000	0.000	0.000
35	A	35	GLY	0	-0.010	-0.014	35.145	0.067	0.067	0.000	0.000	0.000	0.000
36	A	36	PHE	0	-0.013	-0.008	34.749	-0.489	-0.489	0.000	0.000	0.000	0.000
37	A	37	GLY	0	0.025	0.028	36.775	-0.733	-0.733	0.000	0.000	0.000	0.000
38	A	38	ASN	0	0.035	0.011	36.172	1.144	1.144	0.000	0.000	0.000	0.000
39	A	39	PHE	0	0.057	0.026	28.889	0.227	0.227	0.000	0.000	0.000	0.000
40	A	40	ILE	0	0.041	0.016	33.496	0.697	0.697	0.000	0.000	0.000	0.000
41	A	41	GLN	0	-0.017	-0.007	35.620	0.540	0.540	0.000	0.000	0.000	0.000
42	A	42	THR	0	-0.012	-0.008	30.998	0.115	0.115	0.000	0.000	0.000	0.000
43	A	43	ALA	0	0.009	-0.004	30.834	0.775	0.775	0.000	0.000	0.000	0.000
44	A	44	ALA	0	-0.004	0.005	31.762	0.471	0.471	0.000	0.000	0.000	0.000
45	A	45	HIS	1	0.770	0.879	33.609	-34.098	-34.098	0.000	0.000	0.000	0.000
46	A	46	PHE	0	0.033	0.003	24.003	0.165	0.165	0.000	0.000	0.000	0.000
47	A	47	ALA	0	0.028	0.015	29.518	0.796	0.796	0.000	0.000	0.000	0.000
48	A	48	ALA	0	0.013	0.021	31.058	0.077	0.077	0.000	0.000	0.000	0.000
49	A	49	GLU	-1	-0.797	-0.905	29.981	34.586	34.586	0.000	0.000	0.000	0.000
50	A	50	SER	0	-0.020	0.008	27.128	1.504	1.504	0.000	0.000	0.000	0.000
51	A	51	SER	0	-0.032	-0.035	28.638	0.040	0.040	0.000	0.000	0.000	0.000
52	A	52	THR	0	-0.024	-0.037	31.382	0.012	0.012	0.000	0.000	0.000	0.000
53	A	53	GLY	0	-0.008	0.001	34.375	-0.981	-0.981	0.000	0.000	0.000	0.000
54	A	54	THR	0	-0.031	-0.052	34.596	0.823	0.823	0.000	0.000	0.000	0.000
55	A	55	ASN	0	-0.025	-0.018	35.898	-0.148	-0.148	0.000	0.000	0.000	0.000
56	A	56	VAL	0	-0.025	-0.003	37.377	-0.444	-0.444	0.000	0.000	0.000	0.000
57	A	57	GLU	-1	-0.932	-0.964	40.676	25.710	25.710	0.000	0.000	0.000	0.000
58	A	58	VAL	0	-0.010	-0.012	41.059	-0.146	-0.146	0.000	0.000	0.000	0.000
59	A	59	PHE	0	0.014	-0.004	43.819	-0.023	-0.023	0.000	0.000	0.000	0.000
60	A	60	THR	0	-0.035	-0.049	42.778	-0.429	-0.429	0.000	0.000	0.000	0.000
61	A	61	THR	0	-0.057	-0.022	42.085	0.501	0.501	0.000	0.000	0.000	0.000
62	A	62	ASP	-1	-0.828	-0.904	43.651	26.098	26.098	0.000	0.000	0.000	0.000
63	A	63	ASP	-1	-0.867	-0.965	43.827	25.385	25.385	0.000	0.000	0.000	0.000
64	A	64	PHE	0	-0.095	-0.044	39.614	0.220	0.220	0.000	0.000	0.000	0.000
65	A	65	THR	0	-0.019	-0.029	38.729	0.786	0.786	0.000	0.000	0.000	0.000
66	A	66	ARG	1	0.944	0.976	38.929	-25.711	-25.711	0.000	0.000	0.000	0.000
67	A	67	GLY	0	-0.022	0.014	39.518	0.366	0.366	0.000	0.000	0.000	0.000
68	A	68	VAL	0	-0.051	-0.023	35.417	0.479	0.479	0.000	0.000	0.000	0.000
69	A	69	ASP	-1	-0.720	-0.821	34.652	31.232	31.232	0.000	0.000	0.000	0.000
70	A	70	ALA	0	-0.012	-0.009	30.521	0.202	0.202	0.000	0.000	0.000	0.000
71	A	71	LEU	0	-0.038	-0.019	32.496	-0.683	-0.683	0.000	0.000	0.000	0.000
72	A	72	VAL	0	0.005	-0.007	31.482	1.018	1.018	0.000	0.000	0.000	0.000
73	A	73	TYR	0	-0.045	-0.041	28.756	-0.787	-0.787	0.000	0.000	0.000	0.000
74	A	74	GLU	-1	-0.859	-0.942	30.491	36.583	36.583	0.000	0.000	0.000	0.000
75	A	75	VAL	0	-0.036	-0.024	30.840	1.039	1.039	0.000	0.000	0.000	0.000
76	A	76	ASP	-1	-0.825	-0.906	29.778	36.187	36.187	0.000	0.000	0.000	0.000
77	A	77	GLU	-1	-0.943	-0.971	30.019	34.317	34.317	0.000	0.000	0.000	0.000
78	A	78	ALA	0	-0.041	-0.013	31.051	0.488	0.488	0.000	0.000	0.000	0.000
79	A	79	ASN	0	-0.061	-0.043	26.888	1.189	1.189	0.000	0.000	0.000	0.000
80	A	80	SER	0	-0.067	-0.029	25.689	1.835	1.835	0.000	0.000	0.000	0.000
81	A	81	LEU	0	-0.001	0.018	24.696	1.491	1.491	0.000	0.000	0.000	0.000
82	A	82	MET	0	-0.011	0.004	26.228	-2.275	-2.275	0.000	0.000	0.000	0.000
83	A	83	LYS	1	0.821	0.912	26.353	-38.579	-38.579	0.000	0.000	0.000	0.000
84	A	84	ILE	0	-0.017	-0.013	27.268	-1.505	-1.505	0.000	0.000	0.000	0.000
85	A	85	ALA	0	0.007	0.007	27.842	1.228	1.228	0.000	0.000	0.000	0.000
86	A	86	TYR	0	-0.002	-0.041	25.480	-1.229	-1.229	0.000	0.000	0.000	0.000
87	A	87	PRO	0	0.036	0.028	29.773	0.645	0.645	0.000	0.000	0.000	0.000
88	A	88	ILE	0	0.007	-0.010	28.864	0.570	0.570	0.000	0.000	0.000	0.000
89	A	89	GLU	-1	-0.934	-0.977	30.635	32.989	32.989	0.000	0.000	0.000	0.000
90	A	90	LEU	0	-0.031	-0.006	30.125	-0.269	-0.269	0.000	0.000	0.000	0.000
91	A	91	PHE	0	-0.022	0.001	25.098	0.439	0.439	0.000	0.000	0.000	0.000
92	A	92	ASP	-1	-0.743	-0.893	27.429	36.612	36.612	0.000	0.000	0.000	0.000
93	A	93	ARG	1	0.827	0.908	27.588	-35.653	-35.653	0.000	0.000	0.000	0.000
94	A	94	ASN	0	-0.039	-0.014	26.008	-0.519	-0.519	0.000	0.000	0.000	0.000
95	A	95	VAL	0	-0.043	-0.044	29.804	-0.975	-0.975	0.000	0.000	0.000	0.000
96	A	96	ILE	0	-0.075	-0.031	28.734	-1.047	-1.047	0.000	0.000	0.000	0.000
97	A	97	ASP	-1	-0.773	-0.888	28.409	39.463	39.463	0.000	0.000	0.000	0.000
98	A	98	GLY	0	-0.023	-0.006	31.503	0.043	0.043	0.000	0.000	0.000	0.000
99	A	99	ARG	1	0.837	0.927	26.421	-38.437	-38.437	0.000	0.000	0.000	0.000
100	A	100	ALA	0	-0.021	-0.008	24.561	-0.678	-0.678	0.000	0.000	0.000	0.000
101	A	101	MET	0	-0.005	0.023	22.594	0.951	0.951	0.000	0.000	0.000	0.000
102	A	102	ILE	0	0.000	-0.015	16.829	-0.826	-0.826	0.000	0.000	0.000	0.000
103	A	103	ALA	0	0.020	0.006	20.062	0.356	0.356	0.000	0.000	0.000	0.000
104	A	104	SER	0	0.026	0.040	20.982	-1.078	-1.078	0.000	0.000	0.000	0.000
105	A	105	PHE	0	0.012	-0.008	18.274	-0.912	-0.912	0.000	0.000	0.000	0.000
106	A	106	LEU	0	0.009	0.000	16.079	-0.274	-0.274	0.000	0.000	0.000	0.000
107	A	107	THR	0	-0.005	0.004	20.207	0.345	0.345	0.000	0.000	0.000	0.000
108	A	108	LEU	0	-0.018	-0.005	23.316	-0.952	-0.952	0.000	0.000	0.000	0.000
109	A	109	THR	0	-0.043	-0.025	21.373	0.231	0.231	0.000	0.000	0.000	0.000
110	A	110	ILE	0	-0.053	-0.017	17.888	0.591	0.591	0.000	0.000	0.000	0.000
111	A	111	GLY	0	0.107	0.054	20.440	1.765	1.765	0.000	0.000	0.000	0.000
112	A	112	ASN	0	0.080	-0.001	22.904	1.890	1.890	0.000	0.000	0.000	0.000
113	A	113	ASN	0	-0.024	-0.026	23.452	1.093	1.093	0.000	0.000	0.000	0.000
114	A	114	GLN	0	-0.001	-0.011	20.139	1.755	1.755	0.000	0.000	0.000	0.000
115	A	115	GLY	0	0.019	0.009	23.308	1.042	1.042	0.000	0.000	0.000	0.000
116	A	116	MET	0	-0.055	-0.005	26.076	-1.141	-1.141	0.000	0.000	0.000	0.000
117	A	117	GLY	0	0.060	0.034	28.796	0.668	0.668	0.000	0.000	0.000	0.000
118	A	118	ASP	-1	-0.831	-0.915	31.340	35.053	35.053	0.000	0.000	0.000	0.000
119	A	119	VAL	0	-0.015	-0.006	26.406	-0.247	-0.247	0.000	0.000	0.000	0.000
120	A	120	GLU	-1	-0.925	-0.955	26.182	42.071	42.071	0.000	0.000	0.000	0.000
121	A	121	TYR	0	-0.017	-0.026	22.046	1.472	1.472	0.000	0.000	0.000	0.000
122	A	122	ALA	0	0.044	0.011	22.378	-1.605	-1.605	0.000	0.000	0.000	0.000
123	A	123	LYS	1	0.812	0.938	13.492	-70.188	-70.188	0.000	0.000	0.000	0.000
124	A	124	MET	0	-0.012	-0.002	18.080	-1.139	-1.139	0.000	0.000	0.000	0.000
125	A	125	TYR	0	-0.018	-0.035	17.008	3.900	3.900	0.000	0.000	0.000	0.000
126	A	126	ASP	-1	-0.751	-0.891	17.374	56.107	56.107	0.000	0.000	0.000	0.000
127	A	127	PHE	0	0.000	-0.017	16.381	-1.739	-1.739	0.000	0.000	0.000	0.000
128	A	128	TYR	0	0.015	0.030	21.195	0.639	0.639	0.000	0.000	0.000	0.000
129	A	129	VAL	0	0.009	0.004	21.901	-1.037	-1.037	0.000	0.000	0.000	0.000
130	A	130	PRO	0	0.050	0.043	24.586	-0.056	-0.056	0.000	0.000	0.000	0.000
131	A	131	PRO	0	0.072	0.015	27.582	0.553	0.553	0.000	0.000	0.000	0.000
132	A	132	ALA	0	-0.057	-0.037	29.114	0.228	0.228	0.000	0.000	0.000	0.000
133	A	133	TYR	0	0.017	0.009	23.954	0.060	0.060	0.000	0.000	0.000	0.000
134	A	134	LEU	0	0.045	0.020	22.545	0.642	0.642	0.000	0.000	0.000	0.000
135	A	135	LYS	1	0.940	0.966	24.730	-34.881	-34.881	0.000	0.000	0.000	0.000
136	A	136	LEU	0	-0.100	-0.038	26.956	-0.702	-0.702	0.000	0.000	0.000	0.000
137	A	137	PHE	0	0.022	0.006	20.968	0.176	0.176	0.000	0.000	0.000	0.000
138	A	138	ASP	-1	-0.826	-0.893	20.803	47.382	47.382	0.000	0.000	0.000	0.000
139	A	139	GLY	0	0.032	0.024	19.584	-1.065	-1.065	0.000	0.000	0.000	0.000
140	A	140	PRO	0	-0.036	-0.004	16.758	-0.670	-0.670	0.000	0.000	0.000	0.000
141	A	141	SER	0	-0.018	-0.017	19.000	-1.936	-1.936	0.000	0.000	0.000	0.000
142	A	142	THR	0	-0.056	-0.016	18.670	-2.125	-2.125	0.000	0.000	0.000	0.000
143	A	143	THR	0	0.002	-0.010	17.425	2.334	2.334	0.000	0.000	0.000	0.000
144	A	144	ILE	0	0.094	0.036	14.548	-0.484	-0.484	0.000	0.000	0.000	0.000
145	A	145	LYS	1	0.936	0.977	17.307	-48.712	-48.712	0.000	0.000	0.000	0.000
146	A	146	ASP	-1	-0.825	-0.904	20.399	50.233	50.233	0.000	0.000	0.000	0.000
147	A	147	LEU	0	0.035	0.028	14.803	-0.734	-0.734	0.000	0.000	0.000	0.000
148	A	148	TRP	0	-0.036	-0.013	18.030	-2.386	-2.386	0.000	0.000	0.000	0.000
149	A	149	ARG	1	0.853	0.907	21.190	-48.774	-48.774	0.000	0.000	0.000	0.000
150	A	150	VAL	0	-0.011	0.011	20.354	-1.569	-1.569	0.000	0.000	0.000	0.000
151	A	151	LEU	0	-0.048	-0.026	17.233	-0.592	-0.592	0.000	0.000	0.000	0.000
152	A	152	GLY	0	-0.001	0.020	21.694	-0.828	-0.828	0.000	0.000	0.000	0.000
153	A	153	ARG	1	0.785	0.897	17.486	-62.969	-62.969	0.000	0.000	0.000	0.000
154	A	154	PRO	0	0.004	-0.003	24.476	-0.902	-0.902	0.000	0.000	0.000	0.000
155	A	155	VAL	0	0.018	-0.006	23.867	1.723	1.723	0.000	0.000	0.000	0.000
156	A	156	ILE	0	-0.014	-0.011	23.611	1.054	1.054	0.000	0.000	0.000	0.000
157	A	157	ASN	0	-0.021	-0.015	21.555	0.829	0.829	0.000	0.000	0.000	0.000
158	A	158	GLY	0	0.065	0.025	21.543	-0.952	-0.952	0.000	0.000	0.000	0.000
159	A	159	GLY	0	0.004	0.012	19.501	-0.324	-0.324	0.000	0.000	0.000	0.000
160	A	160	PHE	0	0.045	0.013	10.919	1.148	1.148	0.000	0.000	0.000	0.000
161	A	161	ILE	0	-0.036	0.002	13.093	-3.318	-3.318	0.000	0.000	0.000	0.000
162	A	162	VAL	0	-0.019	-0.003	11.229	6.323	6.323	0.000	0.000	0.000	0.000
163	A	163	GLY	0	0.071	0.013	9.534	-5.264	-5.264	0.000	0.000	0.000	0.000
164	A	164	THR	0	-0.041	-0.033	6.100	7.926	7.926	0.000	0.000	0.000	0.000
168	A	168	PRO	0	0.004	0.005	7.105	-7.434	-7.434	0.000	0.000	0.000	0.000
170	A	170	LEU	0	-0.045	-0.027	7.447	-5.679	-5.679	0.000	0.000	0.000	0.000
171	A	171	GLY	0	0.052	0.018	11.047	0.811	0.811	0.000	0.000	0.000	0.000
172	A	172	LEU	0	-0.026	0.011	11.971	-4.768	-4.768	0.000	0.000	0.000	0.000
173	A	173	ARG	1	0.929	0.973	14.830	-55.888	-55.888	0.000	0.000	0.000	0.000
174	A	174	PRO	0	0.057	0.015	17.095	1.756	1.756	0.000	0.000	0.000	0.000
175	A	175	GLN	0	0.004	0.012	18.022	-0.093	-0.093	0.000	0.000	0.000	0.000
176	A	176	PRO	0	-0.011	-0.022	16.837	0.782	0.782	0.000	0.000	0.000	0.000
177	A	177	PHE	0	0.034	0.029	10.579	2.401	2.401	0.000	0.000	0.000	0.000
178	A	178	ALA	0	0.042	0.014	14.492	2.751	2.751	0.000	0.000	0.000	0.000
179	A	179	ASN	0	-0.051	-0.040	16.847	-1.689	-1.689	0.000	0.000	0.000	0.000
180	A	180	ALA	0	0.057	0.043	12.033	-0.464	-0.464	0.000	0.000	0.000	0.000
181	A	181	CYS	0	-0.041	-0.011	13.261	3.301	3.301	0.000	0.000	0.000	0.000
182	A	182	TYR	0	-0.030	-0.013	14.224	-0.898	-0.898	0.000	0.000	0.000	0.000
183	A	183	ASP	-1	-0.902	-0.956	15.003	62.024	62.024	0.000	0.000	0.000	0.000
184	A	184	PHE	0	-0.029	-0.009	9.563	-0.366	-0.366	0.000	0.000	0.000	0.000
185	A	185	TRP	0	0.037	0.001	13.563	-1.876	-1.876	0.000	0.000	0.000	0.000
186	A	186	LEU	0	-0.040	-0.014	16.136	-3.141	-3.141	0.000	0.000	0.000	0.000
187	A	187	GLY	0	-0.078	-0.035	16.161	-2.765	-2.765	0.000	0.000	0.000	0.000
188	A	188	GLY	0	-0.028	-0.009	13.384	0.560	0.560	0.000	0.000	0.000	0.000
189	A	189	ASP	-1	-0.780	-0.880	13.832	65.543	65.543	0.000	0.000	0.000	0.000
190	A	190	PHE	0	-0.013	-0.015	8.033	-3.470	-3.470	0.000	0.000	0.000	0.000
191	A	191	ILE	0	-0.015	0.013	9.046	6.461	6.461	0.000	0.000	0.000	0.000
193	A	193	ASN	0	0.043	0.013	6.921	-0.892	-0.892	0.000	0.000	0.000	0.000
197	A	196	PRO	0	-0.029	0.010	5.621	-9.261	-9.261	0.000	0.000	0.000	0.000
198	A	197	GLN	0	-0.067	-0.012	8.046	-9.979	-9.979	0.000	0.000	0.000	0.000
199	A	198	GLY	0	0.046	0.015	10.700	0.754	0.754	0.000	0.000	0.000	0.000
200	A	199	ASN	0	-0.068	-0.030	14.022	-2.563	-2.563	0.000	0.000	0.000	0.000
201	A	200	GLN	0	0.039	0.033	12.986	-2.560	-2.560	0.000	0.000	0.000	0.000
202	A	201	VAL	0	-0.008	-0.020	17.396	-1.691	-1.691	0.000	0.000	0.000	0.000
203	A	202	PHE	0	-0.006	-0.003	14.638	-2.376	-2.376	0.000	0.000	0.000	0.000
204	A	203	ALA	0	-0.024	-0.033	15.885	-0.233	-0.233	0.000	0.000	0.000	0.000
205	A	204	PRO	0	0.028	0.041	17.337	1.698	1.698	0.000	0.000	0.000	0.000
206	A	205	PHE	0	0.056	0.026	16.113	-0.432	-0.432	0.000	0.000	0.000	0.000
207	A	206	LYS	1	0.916	0.961	18.660	-43.774	-43.774	0.000	0.000	0.000	0.000
208	A	207	ASP	-1	-0.919	-0.960	21.273	46.303	46.303	0.000	0.000	0.000	0.000
209	A	208	THR	0	-0.004	-0.009	14.725	0.135	0.135	0.000	0.000	0.000	0.000
210	A	209	VAL	0	0.017	0.015	17.015	0.848	0.848	0.000	0.000	0.000	0.000
211	A	210	ARG	1	0.937	0.968	18.389	-44.822	-44.822	0.000	0.000	0.000	0.000
212	A	211	ALA	0	-0.003	0.009	19.030	-0.900	-0.900	0.000	0.000	0.000	0.000
213	A	212	VAL	0	0.006	-0.005	14.618	-0.178	-0.178	0.000	0.000	0.000	0.000
214	A	213	ALA	0	0.015	0.010	17.575	-0.100	-0.100	0.000	0.000	0.000	0.000
215	A	214	ASP	-1	-0.926	-0.963	20.341	45.726	45.726	0.000	0.000	0.000	0.000
216	A	215	ALA	0	-0.014	-0.008	18.054	-0.859	-0.859	0.000	0.000	0.000	0.000
217	A	216	MET	0	-0.027	0.005	17.041	-0.766	-0.766	0.000	0.000	0.000	0.000
218	A	217	ARG	1	0.954	0.975	19.627	-46.325	-46.325	0.000	0.000	0.000	0.000
219	A	218	ARG	1	0.942	0.979	21.016	-51.352	-51.352	0.000	0.000	0.000	0.000
220	A	219	ALA	0	0.003	-0.009	19.715	-0.956	-0.956	0.000	0.000	0.000	0.000
221	A	220	GLN	0	0.000	0.003	21.096	1.455	1.455	0.000	0.000	0.000	0.000
222	A	221	ASP	-1	-0.917	-0.942	23.263	41.112	41.112	0.000	0.000	0.000	0.000
223	A	222	LYS	1	0.832	0.921	23.791	-44.986	-44.986	0.000	0.000	0.000	0.000
224	A	223	THR	0	-0.065	-0.057	20.826	-0.615	-0.615	0.000	0.000	0.000	0.000
225	A	224	GLY	0	0.014	0.024	24.270	-0.629	-0.629	0.000	0.000	0.000	0.000
226	A	225	GLU	-1	-0.983	-0.982	20.839	53.785	53.785	0.000	0.000	0.000	0.000
227	A	226	ALA	0	-0.002	-0.003	21.365	0.420	0.420	0.000	0.000	0.000	0.000
228	A	227	LYS	1	0.836	0.923	16.924	-58.585	-58.585	0.000	0.000	0.000	0.000
229	A	228	LEU	0	0.001	-0.013	14.260	-1.697	-1.697	0.000	0.000	0.000	0.000
230	A	229	PHE	0	-0.004	-0.016	10.872	3.637	3.637	0.000	0.000	0.000	0.000
231	A	230	SER	0	-0.037	-0.021	9.295	-5.062	-5.062	0.000	0.000	0.000	0.000
232	A	231	PHE	0	0.033	0.008	9.971	4.352	4.352	0.000	0.000	0.000	0.000
233	A	232	ASN	0	0.036	0.019	9.227	-1.261	-1.261	0.000	0.000	0.000	0.000
234	A	233	ILE	0	-0.061	-0.029	11.040	-4.186	-4.186	0.000	0.000	0.000	0.000
235	A	234	THR	0	0.008	-0.009	10.501	-3.305	-3.305	0.000	0.000	0.000	0.000
236	A	235	ALA	0	-0.005	-0.017	13.291	-0.659	-0.659	0.000	0.000	0.000	0.000
237	A	236	ASP	-1	-0.780	-0.884	16.358	58.180	58.180	0.000	0.000	0.000	0.000
238	A	237	ASP	-1	-0.801	-0.908	18.716	43.835	43.835	0.000	0.000	0.000	0.000
239	A	238	HIS	0	0.035	-0.006	20.543	-0.119	-0.119	0.000	0.000	0.000	0.000
240	A	239	TYR	0	0.089	0.035	21.765	0.306	0.306	0.000	0.000	0.000	0.000
241	A	240	GLU	-1	-0.730	-0.833	18.929	51.503	51.503	0.000	0.000	0.000	0.000
242	A	241	MET	0	-0.058	-0.017	15.250	0.818	0.818	0.000	0.000	0.000	0.000
243	A	242	LEU	0	-0.026	-0.008	18.876	0.880	0.880	0.000	0.000	0.000	0.000
244	A	243	ALA	0	0.036	0.021	21.963	-0.296	-0.296	0.000	0.000	0.000	0.000
245	A	244	ARG	1	0.728	0.842	14.758	-61.878	-61.878	0.000	0.000	0.000	0.000
246	A	245	GLY	0	0.053	0.017	18.834	0.530	0.530	0.000	0.000	0.000	0.000
247	A	246	GLU	-1	-0.910	-0.970	19.635	43.164	43.164	0.000	0.000	0.000	0.000
248	A	247	PHE	0	0.005	0.001	21.102	-1.253	-1.253	0.000	0.000	0.000	0.000
249	A	248	ILE	0	-0.014	0.007	16.449	-0.633	-0.633	0.000	0.000	0.000	0.000
250	A	249	LEU	0	0.001	0.005	20.378	-0.345	-0.345	0.000	0.000	0.000	0.000
251	A	250	GLU	-1	-0.962	-0.969	22.642	39.043	39.043	0.000	0.000	0.000	0.000
252	A	251	THR	0	-0.092	-0.068	22.166	-1.237	-1.237	0.000	0.000	0.000	0.000
253	A	252	PHE	0	-0.054	-0.045	17.509	0.097	0.097	0.000	0.000	0.000	0.000
254	A	253	ALA	0	0.014	0.026	22.715	-0.577	-0.577	0.000	0.000	0.000	0.000
255	A	254	ASP	-1	-0.943	-0.965	25.746	42.537	42.537	0.000	0.000	0.000	0.000
256	A	255	ASN	0	-0.001	-0.004	21.456	0.652	0.652	0.000	0.000	0.000	0.000
257	A	256	ALA	0	0.027	0.009	21.167	2.710	2.710	0.000	0.000	0.000	0.000
258	A	257	ASP	-1	-0.875	-0.945	20.934	50.224	50.224	0.000	0.000	0.000	0.000
259	A	258	HIS	1	0.811	0.906	18.468	-51.015	-51.015	0.000	0.000	0.000	0.000
260	A	259	ILE	0	-0.022	-0.004	16.158	3.739	3.739	0.000	0.000	0.000	0.000
261	A	260	ALA	0	-0.030	-0.007	12.861	-1.429	-1.429	0.000	0.000	0.000	0.000
262	A	261	PHE	0	-0.012	-0.017	13.529	0.097	0.097	0.000	0.000	0.000	0.000
263	A	262	LEU	0	-0.004	0.002	5.658	1.348	1.348	0.000	0.000	0.000	0.000
264	A	263	VAL	0	0.017	-0.007	9.889	-4.579	-4.579	0.000	0.000	0.000	0.000
265	A	264	ASP	-1	-0.808	-0.923	6.680	116.224	116.224	0.000	0.000	0.000	0.000
266	A	265	GLY	0	-0.015	-0.016	9.033	-6.073	-6.073	0.000	0.000	0.000	0.000
267	A	266	TYR	0	-0.060	-0.011	8.234	-4.180	-4.180	0.000	0.000	0.000	0.000
268	A	267	VAL	0	-0.008	-0.008	9.698	-5.306	-5.306	0.000	0.000	0.000	0.000
269	A	268	ALA	0	0.004	-0.002	11.965	-5.536	-5.536	0.000	0.000	0.000	0.000
270	A	269	GLY	0	0.022	0.008	13.225	-4.928	-4.928	0.000	0.000	0.000	0.000
271	A	270	PRO	0	0.043	0.012	14.773	0.797	0.797	0.000	0.000	0.000	0.000
272	A	271	ALA	0	0.005	0.018	16.065	-1.072	-1.072	0.000	0.000	0.000	0.000
273	A	272	ALA	0	0.023	0.011	14.963	-1.413	-1.413	0.000	0.000	0.000	0.000
274	A	273	VAL	0	-0.010	0.000	12.628	0.364	0.364	0.000	0.000	0.000	0.000
275	A	274	THR	0	0.025	0.005	15.420	-1.374	-1.374	0.000	0.000	0.000	0.000
276	A	275	THR	0	-0.014	0.013	18.832	-3.023	-3.023	0.000	0.000	0.000	0.000
277	A	276	ALA	0	0.016	0.013	16.154	-1.756	-1.756	0.000	0.000	0.000	0.000
278	A	277	ARG	1	0.817	0.915	17.842	-53.546	-53.546	0.000	0.000	0.000	0.000
279	A	278	ARG	1	0.723	0.831	19.378	-46.752	-46.752	0.000	0.000	0.000	0.000
280	A	279	ALA	0	-0.012	0.011	21.454	-1.828	-1.828	0.000	0.000	0.000	0.000
281	A	280	PHE	0	-0.011	-0.006	19.122	-1.157	-1.157	0.000	0.000	0.000	0.000
282	A	281	PRO	0	0.029	0.031	20.270	2.012	2.012	0.000	0.000	0.000	0.000
283	A	282	LYS	1	0.923	0.965	21.896	-45.544	-45.544	0.000	0.000	0.000	0.000
284	A	283	GLN	0	-0.023	-0.009	18.184	-2.327	-2.327	0.000	0.000	0.000	0.000
285	A	284	TYR	0	0.004	-0.013	11.995	2.247	2.247	0.000	0.000	0.000	0.000
286	A	285	LEU	0	0.015	0.023	13.146	1.901	1.901	0.000	0.000	0.000	0.000
287	A	286	HIS	0	-0.022	-0.029	6.137	-8.191	-8.191	0.000	0.000	0.000	0.000
288	A	287	TYR	0	0.022	0.006	7.283	0.789	0.789	0.000	0.000	0.000	0.000
294	A	293	GLY	0	0.005	0.014	6.904	-8.520	-8.520	0.000	0.000	0.000	0.000
295	A	294	ALA	0	0.016	0.010	8.384	-7.285	-7.285	0.000	0.000	0.000	0.000
296	A	295	VAL	0	-0.028	-0.010	11.071	-6.105	-6.105	0.000	0.000	0.000	0.000
297	A	296	THR	0	0.015	0.003	8.132	0.635	0.635	0.000	0.000	0.000	0.000
298	A	297	SER	0	-0.064	-0.024	9.897	-4.007	-4.007	0.000	0.000	0.000	0.000
299	A	298	PRO	0	0.041	0.002	10.418	-5.638	-5.638	0.000	0.000	0.000	0.000
300	A	299	GLN	0	-0.002	0.013	13.372	-3.174	-3.174	0.000	0.000	0.000	0.000
301	A	300	SER	0	-0.027	0.002	14.062	-5.539	-5.539	0.000	0.000	0.000	0.000
302	A	301	LYS	1	0.941	0.976	15.871	-52.582	-52.582	0.000	0.000	0.000	0.000
303	A	302	ARG	1	0.814	0.901	17.461	-52.584	-52.584	0.000	0.000	0.000	0.000
304	A	303	GLY	0	0.060	0.027	15.995	3.772	3.772	0.000	0.000	0.000	0.000
305	A	304	TYR	0	0.020	0.004	11.281	-1.491	-1.491	0.000	0.000	0.000	0.000
306	A	305	THR	0	0.050	0.027	12.379	5.115	5.115	0.000	0.000	0.000	0.000
307	A	306	ALA	0	0.068	0.016	7.676	-0.178	-0.178	0.000	0.000	0.000	0.000
308	A	307	PHE	0	0.031	0.027	9.526	2.039	2.039	0.000	0.000	0.000	0.000
309	A	308	VAL	0	0.018	0.009	12.309	-1.600	-1.600	0.000	0.000	0.000	0.000
310	A	309	LEU	0	-0.004	-0.005	7.104	-1.660	-1.660	0.000	0.000	0.000	0.000
311	A	310	SER	0	0.004	-0.014	9.161	2.256	2.256	0.000	0.000	0.000	0.000
312	A	311	LYS	1	0.828	0.917	10.728	-57.140	-57.140	0.000	0.000	0.000	0.000
313	A	312	MET	0	-0.016	-0.009	13.460	-4.280	-4.280	0.000	0.000	0.000	0.000
314	A	313	ALA	0	-0.014	0.005	10.832	-2.870	-2.870	0.000	0.000	0.000	0.000
315	A	314	ARG	1	0.814	0.916	12.907	-60.053	-60.053	0.000	0.000	0.000	0.000
316	A	315	LEU	0	-0.017	-0.020	15.399	-2.793	-2.793	0.000	0.000	0.000	0.000
317	A	316	GLN	0	0.001	-0.022	13.279	-2.395	-2.395	0.000	0.000	0.000	0.000
318	A	317	GLY	0	0.022	0.023	16.611	-1.620	-1.620	0.000	0.000	0.000	0.000
319	A	318	ALA	0	-0.004	-0.001	11.856	-0.377	-0.377	0.000	0.000	0.000	0.000
320	A	319	SER	0	0.002	0.002	13.994	-1.605	-1.605	0.000	0.000	0.000	0.000
321	A	320	GLY	0	0.003	0.004	11.004	-1.535	-1.535	0.000	0.000	0.000	0.000
322	A	321	ILE	0	-0.014	-0.005	6.541	-1.298	-1.298	0.000	0.000	0.000	0.000
327	A	326	MET	0	-0.031	-0.003	6.831	-14.522	-14.522	0.000	0.000	0.000	0.000
328	A	327	GLY	0	0.045	0.033	8.339	-8.896	-8.896	0.000	0.000	0.000	0.000
329	A	328	PHE	0	-0.037	-0.013	9.751	-5.257	-5.257	0.000	0.000	0.000	0.000
330	A	329	GLY	0	0.009	0.007	7.174	-1.802	-1.802	0.000	0.000	0.000	0.000
333	A	332	GLU	-1	-0.858	-0.901	6.167	81.762	81.762	0.000	0.000	0.000	0.000
334	A	333	GLY	0	0.013	0.003	5.991	14.603	14.603	0.000	0.000	0.000	0.000
335	A	334	GLU	-1	-0.955	-0.985	8.096	68.249	68.249	0.000	0.000	0.000	0.000
336	A	335	ALA	0	0.027	0.023	11.094	2.558	2.558	0.000	0.000	0.000	0.000
337	A	336	ALA	0	0.004	-0.010	13.565	-0.701	-0.701	0.000	0.000	0.000	0.000
338	A	337	ASP	-1	-0.817	-0.914	8.945	95.732	95.732	0.000	0.000	0.000	0.000
339	A	338	ARG	1	0.922	0.960	11.425	-61.530	-61.530	0.000	0.000	0.000	0.000
340	A	339	ALA	0	-0.012	-0.008	13.339	-1.495	-1.495	0.000	0.000	0.000	0.000
341	A	340	ILE	0	-0.017	-0.009	9.279	-3.084	-3.084	0.000	0.000	0.000	0.000
342	A	341	ALA	0	-0.021	-0.013	11.507	-0.686	-0.686	0.000	0.000	0.000	0.000
343	A	342	TYR	0	0.018	-0.005	12.838	-2.555	-2.555	0.000	0.000	0.000	0.000
344	A	343	MET	0	-0.021	0.016	15.376	-3.517	-3.517	0.000	0.000	0.000	0.000
345	A	344	ILE	0	-0.034	-0.019	10.937	-2.249	-2.249	0.000	0.000	0.000	0.000
346	A	345	THR	0	-0.030	-0.023	14.390	0.124	0.124	0.000	0.000	0.000	0.000
347	A	346	GLU	-1	-0.902	-0.940	16.950	52.759	52.759	0.000	0.000	0.000	0.000
348	A	347	ASP	-1	-0.856	-0.924	20.407	45.463	45.463	0.000	0.000	0.000	0.000
349	A	348	ALA	0	-0.014	-0.008	23.345	-1.184	-1.184	0.000	0.000	0.000	0.000
350	A	349	ALA	0	-0.017	-0.006	19.845	1.056	1.056	0.000	0.000	0.000	0.000
351	A	350	ASP	-1	-0.889	-0.948	21.353	44.787	44.787	0.000	0.000	0.000	0.000
352	A	351	GLY	0	0.006	0.000	18.633	3.026	3.026	0.000	0.000	0.000	0.000
353	A	352	PRO	0	-0.094	-0.047	17.221	-1.734	-1.734	0.000	0.000	0.000	0.000
354	A	353	TYR	0	-0.018	-0.019	20.153	-2.313	-2.313	0.000	0.000	0.000	0.000
355	A	354	PHE	0	-0.020	-0.003	22.277	-2.123	-2.123	0.000	0.000	0.000	0.000
356	A	355	HIS	1	0.876	0.955	22.545	-42.112	-42.112	0.000	0.000	0.000	0.000
357	A	356	GLN	0	-0.026	-0.030	21.093	-0.248	-0.248	0.000	0.000	0.000	0.000
358	A	357	GLU	-1	-0.856	-0.928	23.716	42.007	42.007	0.000	0.000	0.000	0.000
359	A	358	TRP	0	0.015	-0.029	17.787	0.430	0.430	0.000	0.000	0.000	0.000
360	A	359	LEU	0	-0.064	-0.033	23.873	-0.425	-0.425	0.000	0.000	0.000	0.000
361	A	360	GLY	0	0.024	0.017	25.928	-0.932	-0.932	0.000	0.000	0.000	0.000
362	A	361	MET	0	-0.070	-0.007	20.642	1.337	1.337	0.000	0.000	0.000	0.000
363	A	362	ASN	0	-0.034	-0.026	20.216	0.046	0.046	0.000	0.000	0.000	0.000
364	A	363	PRO	0	-0.008	0.012	17.338	1.103	1.103	0.000	0.000	0.000	0.000
365	A	364	THR	0	-0.007	-0.008	11.822	-1.351	-1.351	0.000	0.000	0.000	0.000
366	A	365	THR	0	-0.051	-0.036	11.425	-1.389	-1.389	0.000	0.000	0.000	0.000
367	A	366	PRO	0	0.035	0.016	9.165	4.697	4.697	0.000	0.000	0.000	0.000
368	A	367	ILE	0	-0.026	-0.004	5.943	-5.288	-5.288	0.000	0.000	0.000	0.000
375	A	374	ALA	0	0.028	0.007	7.590	-3.958	-3.958	0.000	0.000	0.000	0.000
376	A	375	LEU	0	0.005	0.005	11.147	-4.386	-4.386	0.000	0.000	0.000	0.000
377	A	376	ARG	1	0.820	0.892	8.511	-117.952	-117.952	0.000	0.000	0.000	0.000
378	A	377	MET	0	-0.046	0.005	9.935	1.088	1.088	0.000	0.000	0.000	0.000
379	A	378	PRO	0	0.010	0.005	12.255	-1.415	-1.415	0.000	0.000	0.000	0.000
380	A	379	GLY	0	0.055	0.037	15.538	-2.303	-2.303	0.000	0.000	0.000	0.000
381	A	380	PHE	0	-0.002	0.000	9.389	-0.354	-0.354	0.000	0.000	0.000	0.000
382	A	381	PHE	0	0.004	-0.022	13.339	0.006	0.006	0.000	0.000	0.000	0.000
383	A	382	ASP	-1	-0.905	-0.934	15.915	58.069	58.069	0.000	0.000	0.000	0.000
384	A	383	ASN	0	-0.074	-0.031	13.426	-6.288	-6.288	0.000	0.000	0.000	0.000
385	A	384	LEU	0	-0.045	-0.012	12.378	-1.223	-1.223	0.000	0.000	0.000	0.000
386	A	385	GLY	0	0.038	0.015	15.593	-3.001	-3.001	0.000	0.000	0.000	0.000
387	A	386	HIS	0	-0.038	-0.020	15.001	-4.283	-4.283	0.000	0.000	0.000	0.000
388	A	387	SER	0	0.001	-0.036	15.382	2.941	2.941	0.000	0.000	0.000	0.000
389	A	388	ASN	0	-0.033	-0.025	16.206	0.462	0.462	0.000	0.000	0.000	0.000
390	A	389	LEU	0	-0.029	-0.019	10.600	-0.019	-0.019	0.000	0.000	0.000	0.000
391	A	390	ILE	0	0.028	0.028	9.271	-3.145	-3.145	0.000	0.000	0.000	0.000
392	A	391	MET	0	-0.001	0.002	7.463	6.550	6.550	0.000	0.000	0.000	0.000
398	A	397	ALA	0	-0.030	-0.006	5.909	-18.489	-18.489	0.000	0.000	0.000	0.000
399	A	398	PHE	0	0.011	-0.021	6.653	-16.041	-16.041	0.000	0.000	0.000	0.000
400	A	399	GLY	0	0.062	0.033	7.451	-6.935	-6.935	0.000	0.000	0.000	0.000
401	A	400	HIS	0	-0.090	-0.034	8.671	-6.048	-6.048	0.000	0.000	0.000	0.000
402	A	401	VAL	0	-0.007	-0.019	11.507	-2.489	-2.489	0.000	0.000	0.000	0.000
403	A	402	ASP	-1	-0.836	-0.901	14.721	55.401	55.401	0.000	0.000	0.000	0.000
404	A	403	GLY	0	0.003	0.007	13.969	-2.858	-2.858	0.000	0.000	0.000	0.000
405	A	404	GLY	0	0.065	0.024	11.648	2.473	2.473	0.000	0.000	0.000	0.000
406	A	405	ALA	0	0.016	0.017	12.582	2.371	2.371	0.000	0.000	0.000	0.000
407	A	406	ALA	0	-0.009	-0.011	15.140	-0.351	-0.351	0.000	0.000	0.000	0.000
408	A	407	GLY	0	0.064	0.026	10.970	0.497	0.497	0.000	0.000	0.000	0.000
409	A	408	ALA	0	0.013	0.014	11.159	3.214	3.214	0.000	0.000	0.000	0.000
410	A	409	LYS	1	0.951	0.970	12.143	-57.332	-57.332	0.000	0.000	0.000	0.000
411	A	410	SER	0	-0.045	-0.018	11.632	-0.646	-0.646	0.000	0.000	0.000	0.000
412	A	411	LEU	0	0.031	0.006	7.911	-1.274	-1.274	0.000	0.000	0.000	0.000
413	A	412	ARG	1	0.826	0.889	11.815	-68.673	-68.673	0.000	0.000	0.000	0.000
414	A	413	GLN	0	-0.034	-0.037	15.119	-1.830	-1.830	0.000	0.000	0.000	0.000
415	A	414	ALA	0	0.040	0.019	13.270	-2.628	-2.628	0.000	0.000	0.000	0.000
416	A	415	GLU	-1	-0.857	-0.901	14.712	62.937	62.937	0.000	0.000	0.000	0.000
417	A	416	GLN	0	-0.005	-0.008	16.285	-3.599	-3.599	0.000	0.000	0.000	0.000
418	A	417	CYS	0	-0.032	-0.002	18.427	-2.818	-2.818	0.000	0.000	0.000	0.000
419	A	418	TRP	0	-0.019	-0.007	17.758	-1.390	-1.390	0.000	0.000	0.000	0.000
420	A	419	LYS	1	0.881	0.956	19.725	-60.391	-60.391	0.000	0.000	0.000	0.000
421	A	420	GLN	0	-0.066	-0.047	21.918	-2.817	-2.817	0.000	0.000	0.000	0.000
422	A	421	GLY	0	0.005	0.025	23.284	-2.033	-2.033	0.000	0.000	0.000	0.000
423	A	422	ALA	0	-0.049	-0.018	23.182	-1.560	-1.560	0.000	0.000	0.000	0.000
424	A	423	ASP	-1	-0.824	-0.928	22.751	51.279	51.279	0.000	0.000	0.000	0.000
425	A	424	PRO	0	0.027	-0.001	18.492	-0.564	-0.564	0.000	0.000	0.000	0.000
426	A	425	VAL	0	-0.007	-0.010	20.596	0.235	0.235	0.000	0.000	0.000	0.000
427	A	426	GLU	-1	-0.880	-0.931	22.533	41.671	41.671	0.000	0.000	0.000	0.000
428	A	427	PHE	0	0.027	0.015	19.064	-0.880	-0.880	0.000	0.000	0.000	0.000
429	A	428	ALA	0	-0.014	-0.007	20.074	0.018	0.018	0.000	0.000	0.000	0.000
430	A	429	LYS	1	0.808	0.908	21.589	-41.901	-41.901	0.000	0.000	0.000	0.000
431	A	430	ASP	-1	-0.918	-0.940	24.735	41.406	41.406	0.000	0.000	0.000	0.000
432	A	431	HIS	1	0.780	0.881	20.206	-50.499	-50.499	0.000	0.000	0.000	0.000
433	A	432	ARG	1	1.040	1.025	20.382	-48.377	-48.377	0.000	0.000	0.000	0.000
434	A	433	GLU	-1	-0.856	-0.922	16.120	56.744	56.744	0.000	0.000	0.000	0.000
435	A	434	PHE	0	0.014	0.004	14.662	3.495	3.495	0.000	0.000	0.000	0.000
436	A	435	ALA	0	-0.003	0.001	16.369	2.138	2.138	0.000	0.000	0.000	0.000
437	A	436	ARG	1	0.757	0.858	17.353	-56.217	-56.217	0.000	0.000	0.000	0.000
438	A	437	ALA	0	0.039	0.031	12.388	2.294	2.294	0.000	0.000	0.000	0.000
439	A	438	PHE	0	-0.038	-0.028	13.715	3.313	3.313	0.000	0.000	0.000	0.000
440	A	439	GLU	-1	-0.938	-0.989	16.379	53.384	53.384	0.000	0.000	0.000	0.000
441	A	440	SER	0	-0.031	0.008	11.934	-0.627	-0.627	0.000	0.000	0.000	0.000
442	A	441	PHE	0	-0.023	-0.001	8.331	4.558	4.558	0.000	0.000	0.000	0.000
443	A	442	PRO	0	0.031	0.013	12.674	-1.776	-1.776	0.000	0.000	0.000	0.000
444	A	443	GLN	0	0.045	0.023	12.670	-0.802	-0.802	0.000	0.000	0.000	0.000
445	A	444	ASP	-1	-0.775	-0.885	10.180	100.353	100.353	0.000	0.000	0.000	0.000
446	A	445	ALA	0	0.009	0.008	13.823	-2.277	-2.277	0.000	0.000	0.000	0.000
447	A	446	ASP	-1	-0.931	-0.953	16.813	54.714	54.714	0.000	0.000	0.000	0.000
448	A	447	LYS	1	0.912	0.957	12.758	-87.013	-87.013	0.000	0.000	0.000	0.000
449	A	448	LEU	0	-0.047	-0.026	13.395	-1.219	-1.219	0.000	0.000	0.000	0.000
450	A	449	TYR	0	-0.054	-0.032	15.732	-3.461	-3.461	0.000	0.000	0.000	0.000
451	A	450	PRO	0	0.072	0.034	20.646	-1.423	-1.423	0.000	0.000	0.000	0.000
452	A	451	ASN	0	-0.062	-0.051	23.203	-1.355	-1.355	0.000	0.000	0.000	0.000
453	A	452	TRP	0	0.008	-0.007	19.609	-2.044	-2.044	0.000	0.000	0.000	0.000
454	A	453	ARG	1	0.911	0.964	20.016	-54.224	-54.224	0.000	0.000	0.000	0.000
455	A	454	ALA	0	-0.014	0.008	24.778	-1.092	-1.092	0.000	0.000	0.000	0.000
456	A	455	LYS	1	0.948	0.992	25.738	-47.154	-47.154	0.000	0.000	0.000	0.000
457	B	1	MET	0	-0.007	-0.011	10.677	0.652	0.652	0.000	0.000	0.000	0.000
458	B	2	ASP	-1	-0.827	-0.887	13.000	65.279	65.279	0.000	0.000	0.000	0.000
459	B	3	GLN	0	-0.005	-0.017	8.717	-3.489	-3.489	0.000	0.000	0.000	0.000
460	B	4	SER	0	-0.013	-0.045	14.333	-1.314	-1.314	0.000	0.000	0.000	0.000
461	B	5	ASN	0	-0.020	-0.016	17.732	-3.547	-3.547	0.000	0.000	0.000	0.000
462	B	6	ARG	1	0.771	0.890	11.057	-83.183	-83.183	0.000	0.000	0.000	0.000
463	B	7	TYR	0	-0.012	-0.015	10.982	0.927	0.927	0.000	0.000	0.000	0.000
464	B	8	ALA	0	-0.004	0.006	16.421	0.067	0.067	0.000	0.000	0.000	0.000
465	B	9	ASN	0	-0.008	-0.012	19.858	-2.553	-2.553	0.000	0.000	0.000	0.000
466	B	10	LEU	0	0.024	0.008	23.234	-0.586	-0.586	0.000	0.000	0.000	0.000
467	B	11	ASN	0	-0.032	-0.003	25.898	-2.100	-2.100	0.000	0.000	0.000	0.000
468	B	12	LEU	0	-0.046	-0.008	23.764	-1.338	-1.338	0.000	0.000	0.000	0.000
469	B	13	LYS	1	0.984	0.996	27.882	-35.350	-35.350	0.000	0.000	0.000	0.000
470	B	14	GLU	-1	-0.716	-0.854	27.474	43.393	43.393	0.000	0.000	0.000	0.000
471	B	15	SER	0	0.007	-0.005	29.290	0.371	0.371	0.000	0.000	0.000	0.000
472	B	16	GLU	-1	-0.923	-0.965	31.312	36.721	36.721	0.000	0.000	0.000	0.000
473	B	17	LEU	0	-0.018	-0.004	25.010	0.134	0.134	0.000	0.000	0.000	0.000
474	B	18	ILE	0	-0.042	-0.011	27.893	0.375	0.375	0.000	0.000	0.000	0.000
475	B	19	ALA	0	-0.041	-0.022	29.555	-0.232	-0.232	0.000	0.000	0.000	0.000
476	B	20	GLY	0	-0.008	0.003	29.736	-0.567	-0.567	0.000	0.000	0.000	0.000
477	B	21	GLY	0	-0.009	-0.006	28.404	-0.090	-0.090	0.000	0.000	0.000	0.000
478	B	22	ARG	1	0.846	0.919	24.565	-44.622	-44.622	0.000	0.000	0.000	0.000
479	B	23	HIS	0	0.056	0.017	21.403	0.596	0.596	0.000	0.000	0.000	0.000
480	B	24	VAL	0	-0.011	0.010	19.210	-1.916	-1.916	0.000	0.000	0.000	0.000
481	B	25	LEU	0	-0.038	0.006	20.741	1.824	1.824	0.000	0.000	0.000	0.000
482	B	26	CYS	0	-0.032	-0.004	16.744	-1.072	-1.072	0.000	0.000	0.000	0.000
483	B	27	ALA	0	0.037	0.033	19.988	0.323	0.323	0.000	0.000	0.000	0.000
484	B	28	TYR	0	-0.005	-0.031	14.404	0.365	0.365	0.000	0.000	0.000	0.000
485	B	29	ILE	0	0.000	0.014	19.601	-1.411	-1.411	0.000	0.000	0.000	0.000
486	B	30	MET	0	-0.046	-0.032	16.137	2.779	2.779	0.000	0.000	0.000	0.000
487	B	31	LYS	1	0.944	0.978	18.199	-56.980	-56.980	0.000	0.000	0.000	0.000
488	B	32	PRO	0	0.044	0.018	16.969	3.515	3.515	0.000	0.000	0.000	0.000
489	B	33	LYS	1	0.796	0.913	12.187	-88.612	-88.612	0.000	0.000	0.000	0.000
490	B	34	ALA	0	0.004	-0.015	17.544	-0.663	-0.663	0.000	0.000	0.000	0.000
491	B	35	GLY	0	-0.012	-0.012	19.216	1.752	1.752	0.000	0.000	0.000	0.000
492	B	36	PHE	0	0.001	0.010	13.546	2.430	2.430	0.000	0.000	0.000	0.000
493	B	37	GLY	0	0.020	0.021	16.166	-2.838	-2.838	0.000	0.000	0.000	0.000
494	B	38	ASN	0	0.037	0.014	17.609	1.155	1.155	0.000	0.000	0.000	0.000
495	B	39	PHE	0	0.075	0.035	18.945	3.618	3.618	0.000	0.000	0.000	0.000
496	B	40	ILE	0	0.042	0.015	19.345	2.558	2.558	0.000	0.000	0.000	0.000
497	B	41	GLN	0	-0.034	-0.016	16.458	2.973	2.973	0.000	0.000	0.000	0.000
498	B	42	THR	0	-0.009	-0.009	14.671	5.323	5.323	0.000	0.000	0.000	0.000
499	B	43	ALA	0	0.034	0.004	14.489	4.736	4.736	0.000	0.000	0.000	0.000
500	B	44	ALA	0	-0.023	0.003	15.456	2.168	2.168	0.000	0.000	0.000	0.000
501	B	45	HIS	1	0.773	0.884	6.949	-115.296	-115.296	0.000	0.000	0.000	0.000
502	B	46	PHE	0	0.045	0.009	10.746	8.522	8.522	0.000	0.000	0.000	0.000
503	B	47	ALA	0	0.021	0.011	11.226	3.741	3.741	0.000	0.000	0.000	0.000
504	B	48	ALA	0	-0.003	0.010	9.502	1.151	1.151	0.000	0.000	0.000	0.000
505	B	49	GLU	-1	-0.791	-0.908	5.499	179.283	179.283	0.000	0.000	0.000	0.000
506	B	50	SER	0	-0.009	0.015	7.525	5.090	5.090	0.000	0.000	0.000	0.000
507	B	51	SER	0	-0.045	-0.040	10.238	-7.437	-7.437	0.000	0.000	0.000	0.000
508	B	52	THR	0	-0.006	-0.025	10.229	4.489	4.489	0.000	0.000	0.000	0.000
509	B	53	GLY	0	-0.017	-0.002	7.717	0.725	0.725	0.000	0.000	0.000	0.000
513	B	57	GLU	-1	-0.933	-0.968	6.878	79.171	79.171	0.000	0.000	0.000	0.000
514	B	58	VAL	0	-0.009	-0.010	5.642	4.858	4.858	0.000	0.000	0.000	0.000
515	B	59	PHE	0	0.008	-0.005	8.740	-5.674	-5.674	0.000	0.000	0.000	0.000
516	B	60	THR	0	-0.029	-0.034	9.582	-4.889	-4.889	0.000	0.000	0.000	0.000
517	B	61	THR	0	-0.058	-0.021	10.440	-0.686	-0.686	0.000	0.000	0.000	0.000
518	B	62	ASP	-1	-0.825	-0.905	12.717	60.994	60.994	0.000	0.000	0.000	0.000
519	B	63	ASP	-1	-0.883	-0.970	16.275	55.112	55.112	0.000	0.000	0.000	0.000
520	B	64	PHE	0	-0.088	-0.040	17.918	-1.551	-1.551	0.000	0.000	0.000	0.000
521	B	65	THR	0	-0.006	-0.022	12.217	1.532	1.532	0.000	0.000	0.000	0.000
522	B	66	ARG	1	0.936	0.972	14.963	-63.860	-63.860	0.000	0.000	0.000	0.000
523	B	67	GLY	0	-0.028	0.009	16.643	-0.622	-0.622	0.000	0.000	0.000	0.000
524	B	68	VAL	0	-0.038	-0.020	15.176	-1.726	-1.726	0.000	0.000	0.000	0.000
525	B	69	ASP	-1	-0.721	-0.821	14.162	77.673	77.673	0.000	0.000	0.000	0.000
526	B	70	ALA	0	-0.018	-0.010	14.944	-4.021	-4.021	0.000	0.000	0.000	0.000
527	B	71	LEU	0	-0.034	-0.020	16.424	1.236	1.236	0.000	0.000	0.000	0.000
528	B	72	VAL	0	0.011	-0.002	17.700	-1.582	-1.582	0.000	0.000	0.000	0.000
529	B	73	TYR	0	-0.038	-0.043	20.137	-0.574	-0.574	0.000	0.000	0.000	0.000
530	B	74	GLU	-1	-0.861	-0.940	23.283	41.261	41.261	0.000	0.000	0.000	0.000
531	B	75	VAL	0	-0.047	-0.028	21.943	2.540	2.540	0.000	0.000	0.000	0.000
532	B	76	ASP	-1	-0.831	-0.910	24.641	39.892	39.892	0.000	0.000	0.000	0.000
533	B	77	GLU	-1	-0.939	-0.965	24.421	49.795	49.795	0.000	0.000	0.000	0.000
534	B	78	ALA	0	-0.037	-0.013	25.845	0.387	0.387	0.000	0.000	0.000	0.000
535	B	79	ASN	0	-0.060	-0.043	27.837	-0.765	-0.765	0.000	0.000	0.000	0.000
536	B	80	SER	0	-0.066	-0.030	22.728	1.056	1.056	0.000	0.000	0.000	0.000
537	B	81	LEU	0	-0.004	0.016	22.385	2.398	2.398	0.000	0.000	0.000	0.000
538	B	82	MET	0	-0.006	0.008	15.592	0.119	0.119	0.000	0.000	0.000	0.000
539	B	83	LYS	1	0.823	0.914	20.824	-43.739	-43.739	0.000	0.000	0.000	0.000
540	B	84	ILE	0	-0.002	-0.007	15.533	0.446	0.446	0.000	0.000	0.000	0.000
541	B	85	ALA	0	-0.019	-0.001	19.507	-1.069	-1.069	0.000	0.000	0.000	0.000
542	B	86	TYR	0	0.030	-0.027	13.523	3.739	3.739	0.000	0.000	0.000	0.000
543	B	87	PRO	0	0.018	0.026	17.558	-2.591	-2.591	0.000	0.000	0.000	0.000
544	B	88	ILE	0	0.021	-0.010	18.403	2.080	2.080	0.000	0.000	0.000	0.000
545	B	89	GLU	-1	-0.928	-0.972	19.275	52.329	52.329	0.000	0.000	0.000	0.000
546	B	90	LEU	0	-0.043	-0.014	13.398	1.562	1.562	0.000	0.000	0.000	0.000
547	B	91	PHE	0	-0.023	-0.001	14.428	3.024	3.024	0.000	0.000	0.000	0.000
548	B	92	ASP	-1	-0.726	-0.872	13.987	63.431	63.431	0.000	0.000	0.000	0.000
549	B	93	ARG	1	0.820	0.904	16.084	-55.443	-55.443	0.000	0.000	0.000	0.000
550	B	94	ASN	0	-0.023	-0.009	19.260	3.210	3.210	0.000	0.000	0.000	0.000
551	B	95	VAL	0	-0.050	-0.050	19.958	-1.589	-1.589	0.000	0.000	0.000	0.000
552	B	96	ILE	0	-0.068	-0.023	22.520	-1.955	-1.955	0.000	0.000	0.000	0.000
553	B	97	ASP	-1	-0.770	-0.888	24.769	42.503	42.503	0.000	0.000	0.000	0.000
554	B	98	GLY	0	-0.025	-0.010	24.024	-1.081	-1.081	0.000	0.000	0.000	0.000
555	B	99	ARG	1	0.837	0.929	24.069	-39.778	-39.778	0.000	0.000	0.000	0.000
556	B	100	ALA	0	-0.025	-0.011	20.578	1.949	1.949	0.000	0.000	0.000	0.000
557	B	101	MET	0	-0.019	0.021	15.827	0.215	0.215	0.000	0.000	0.000	0.000
558	B	102	ILE	0	0.000	-0.020	17.324	1.998	1.998	0.000	0.000	0.000	0.000
559	B	103	ALA	0	0.016	0.006	13.265	2.711	2.711	0.000	0.000	0.000	0.000
560	B	104	SER	0	0.009	0.024	12.296	3.665	3.665	0.000	0.000	0.000	0.000
561	B	105	PHE	0	0.031	0.002	12.702	3.400	3.400	0.000	0.000	0.000	0.000
562	B	106	LEU	0	-0.002	0.000	12.552	2.242	2.242	0.000	0.000	0.000	0.000
563	B	107	THR	0	0.000	0.006	7.384	2.230	2.230	0.000	0.000	0.000	0.000
564	B	108	LEU	0	-0.034	-0.013	8.474	7.851	7.851	0.000	0.000	0.000	0.000
565	B	109	THR	0	-0.026	-0.018	10.650	1.964	1.964	0.000	0.000	0.000	0.000
566	B	110	ILE	0	-0.062	-0.018	11.314	-2.452	-2.452	0.000	0.000	0.000	0.000
567	B	111	GLY	0	0.103	0.056	7.445	0.142	0.142	0.000	0.000	0.000	0.000
570	B	114	GLN	0	-0.004	-0.011	8.039	-7.785	-7.785	0.000	0.000	0.000	0.000
571	B	115	GLY	0	0.011	0.007	5.704	-4.843	-4.843	0.000	0.000	0.000	0.000
572	B	116	MET	0	-0.062	-0.011	6.577	6.286	6.286	0.000	0.000	0.000	0.000
573	B	117	GLY	0	0.053	0.030	8.545	-7.650	-7.650	0.000	0.000	0.000	0.000
574	B	118	ASP	-1	-0.855	-0.933	10.170	92.117	92.117	0.000	0.000	0.000	0.000
575	B	119	VAL	0	-0.005	-0.004	12.282	-6.940	-6.940	0.000	0.000	0.000	0.000
576	B	120	GLU	-1	-0.935	-0.963	13.198	61.162	61.162	0.000	0.000	0.000	0.000
577	B	121	TYR	0	-0.013	-0.025	14.683	0.640	0.640	0.000	0.000	0.000	0.000
578	B	122	ALA	0	0.031	0.006	13.968	-1.559	-1.559	0.000	0.000	0.000	0.000
579	B	123	LYS	1	0.807	0.936	15.001	-51.951	-51.951	0.000	0.000	0.000	0.000
580	B	124	MET	0	-0.003	0.001	15.744	-2.963	-2.963	0.000	0.000	0.000	0.000
581	B	125	TYR	0	-0.031	-0.043	18.377	-0.926	-0.926	0.000	0.000	0.000	0.000
582	B	126	ASP	-1	-0.753	-0.890	21.619	42.611	42.611	0.000	0.000	0.000	0.000
583	B	127	PHE	0	0.012	-0.004	20.218	2.424	2.424	0.000	0.000	0.000	0.000
584	B	128	TYR	0	0.013	0.028	22.263	-2.570	-2.570	0.000	0.000	0.000	0.000
585	B	129	VAL	0	0.010	0.004	23.352	1.982	1.982	0.000	0.000	0.000	0.000
586	B	130	PRO	0	0.031	0.034	23.950	-1.902	-1.902	0.000	0.000	0.000	0.000
587	B	131	PRO	0	0.078	0.020	26.871	0.657	0.657	0.000	0.000	0.000	0.000
588	B	132	ALA	0	-0.060	-0.038	26.781	-0.120	-0.120	0.000	0.000	0.000	0.000
589	B	133	TYR	0	0.025	0.010	18.366	0.382	0.382	0.000	0.000	0.000	0.000
590	B	134	LEU	0	0.042	0.018	24.599	0.447	0.447	0.000	0.000	0.000	0.000
591	B	135	LYS	1	0.945	0.970	26.600	-39.306	-39.306	0.000	0.000	0.000	0.000
592	B	136	LEU	0	-0.094	-0.039	23.776	-0.894	-0.894	0.000	0.000	0.000	0.000
593	B	137	PHE	0	0.019	0.005	20.242	1.042	1.042	0.000	0.000	0.000	0.000
594	B	138	ASP	-1	-0.825	-0.891	25.392	41.493	41.493	0.000	0.000	0.000	0.000
595	B	139	GLY	0	0.020	0.019	27.169	-1.568	-1.568	0.000	0.000	0.000	0.000
596	B	140	PRO	0	-0.022	-0.003	29.159	-0.111	-0.111	0.000	0.000	0.000	0.000
597	B	141	SER	0	-0.021	-0.014	31.667	-0.264	-0.264	0.000	0.000	0.000	0.000
598	B	142	THR	0	-0.056	-0.015	34.135	-1.365	-1.365	0.000	0.000	0.000	0.000
599	B	143	THR	0	-0.001	-0.008	34.992	0.574	0.574	0.000	0.000	0.000	0.000
600	B	144	ILE	0	0.083	0.035	37.273	-0.387	-0.387	0.000	0.000	0.000	0.000
601	B	145	LYS	1	0.942	0.979	39.643	-29.015	-29.015	0.000	0.000	0.000	0.000
602	B	146	ASP	-1	-0.819	-0.907	39.748	28.697	28.697	0.000	0.000	0.000	0.000
603	B	147	LEU	0	0.032	0.027	38.447	-0.419	-0.419	0.000	0.000	0.000	0.000
604	B	148	TRP	0	-0.024	-0.015	42.713	-0.497	-0.497	0.000	0.000	0.000	0.000
605	B	149	ARG	1	0.857	0.910	43.422	-27.432	-27.432	0.000	0.000	0.000	0.000
606	B	150	VAL	0	-0.020	0.008	44.488	-0.616	-0.616	0.000	0.000	0.000	0.000
607	B	151	LEU	0	-0.045	-0.022	44.921	-0.411	-0.411	0.000	0.000	0.000	0.000
608	B	152	GLY	0	-0.004	0.018	48.551	-0.478	-0.478	0.000	0.000	0.000	0.000
609	B	153	ARG	1	0.783	0.898	46.962	-25.681	-25.681	0.000	0.000	0.000	0.000
610	B	154	PRO	0	0.000	-0.006	49.459	0.133	0.133	0.000	0.000	0.000	0.000
611	B	155	VAL	0	0.016	-0.004	45.833	0.437	0.437	0.000	0.000	0.000	0.000
612	B	156	ILE	0	-0.005	-0.007	45.096	0.680	0.680	0.000	0.000	0.000	0.000
613	B	157	ASN	0	-0.033	-0.023	45.153	0.027	0.027	0.000	0.000	0.000	0.000
614	B	158	GLY	0	0.062	0.031	45.787	-0.508	-0.508	0.000	0.000	0.000	0.000
615	B	159	GLY	0	0.004	0.006	45.952	-0.409	-0.409	0.000	0.000	0.000	0.000
616	B	160	PHE	0	0.044	0.017	41.999	0.484	0.484	0.000	0.000	0.000	0.000
617	B	161	ILE	0	-0.031	-0.011	41.530	-0.577	-0.577	0.000	0.000	0.000	0.000
618	B	162	VAL	0	-0.026	0.002	42.448	0.542	0.542	0.000	0.000	0.000	0.000
619	B	163	GLY	0	0.074	0.019	41.027	-0.201	-0.201	0.000	0.000	0.000	0.000
620	B	164	THR	0	-0.047	-0.033	40.098	0.067	0.067	0.000	0.000	0.000	0.000
621	B	165	ILE	0	0.028	0.011	34.782	0.260	0.260	0.000	0.000	0.000	0.000
622	B	166	ILE	0	-0.006	0.001	37.858	-0.639	-0.639	0.000	0.000	0.000	0.000
623	B	167	LYS	1	0.868	0.929	34.439	-32.117	-32.117	0.000	0.000	0.000	0.000
624	B	168	PRO	0	0.007	0.013	38.569	-0.804	-0.804	0.000	0.000	0.000	0.000
625	B	169	LYS	1	0.801	0.911	30.351	-36.222	-36.222	0.000	0.000	0.000	0.000
626	B	170	LEU	0	-0.041	-0.027	30.785	0.328	0.328	0.000	0.000	0.000	0.000
627	B	171	GLY	0	0.045	0.017	35.345	-0.291	-0.291	0.000	0.000	0.000	0.000
628	B	172	LEU	0	-0.022	0.012	38.529	-0.710	-0.710	0.000	0.000	0.000	0.000
629	B	173	ARG	1	0.931	0.974	40.051	-25.845	-25.845	0.000	0.000	0.000	0.000
630	B	174	PRO	0	0.046	0.012	41.460	-0.242	-0.242	0.000	0.000	0.000	0.000
631	B	175	GLN	0	0.015	0.017	43.194	0.033	0.033	0.000	0.000	0.000	0.000
632	B	176	PRO	0	-0.020	-0.028	44.660	-0.190	-0.190	0.000	0.000	0.000	0.000
633	B	177	PHE	0	0.044	0.033	37.757	-0.137	-0.137	0.000	0.000	0.000	0.000
634	B	178	ALA	0	0.027	0.003	43.187	0.005	0.005	0.000	0.000	0.000	0.000
635	B	179	ASN	0	-0.036	-0.033	45.440	-0.412	-0.412	0.000	0.000	0.000	0.000
636	B	180	ALA	0	0.056	0.045	44.031	-0.326	-0.326	0.000	0.000	0.000	0.000
637	B	181	CYS	0	-0.058	-0.015	42.909	0.149	0.149	0.000	0.000	0.000	0.000
638	B	182	TYR	0	-0.013	-0.007	45.180	-0.355	-0.355	0.000	0.000	0.000	0.000
639	B	183	ASP	-1	-0.903	-0.954	48.616	23.279	23.279	0.000	0.000	0.000	0.000
640	B	184	PHE	0	-0.029	-0.007	44.219	-0.281	-0.281	0.000	0.000	0.000	0.000
641	B	185	TRP	0	0.037	0.001	43.138	-0.312	-0.312	0.000	0.000	0.000	0.000
642	B	186	LEU	0	-0.042	-0.017	48.346	-0.393	-0.393	0.000	0.000	0.000	0.000
643	B	187	GLY	0	-0.076	-0.035	50.303	-0.452	-0.452	0.000	0.000	0.000	0.000
644	B	188	GLY	0	-0.023	-0.007	46.823	0.018	0.018	0.000	0.000	0.000	0.000
645	B	189	ASP	-1	-0.801	-0.910	44.843	25.122	25.122	0.000	0.000	0.000	0.000
646	B	190	PHE	0	-0.020	-0.015	36.232	0.018	0.018	0.000	0.000	0.000	0.000
647	B	191	ILE	0	-0.008	0.009	39.593	-0.086	-0.086	0.000	0.000	0.000	0.000
648	B	192	KCX	-1	-0.566	-0.850	31.971	35.902	35.902	0.000	0.000	0.000	0.000
649	B	193	ASN	0	0.046	0.012	33.509	-0.349	-0.349	0.000	0.000	0.000	0.000
650	B	194	ASP	0	0.208	0.031	33.260	0.512	0.512	0.000	0.000	0.000	0.000
651	B	195	GLU	0	0.110	-0.060	27.642	-0.243	-0.243	0.000	0.000	0.000	0.000
652	B	501	merge:B:AS	-1	-1.654	-0.983	27.151	35.909	35.909	0.000	0.000	0.000	0.000
653	B	196	PRO	0	-0.033	0.020	28.001	0.604	0.604	0.000	0.000	0.000	0.000
654	B	197	GLN	0	-0.079	-0.017	29.175	-0.334	-0.334	0.000	0.000	0.000	0.000
655	B	198	GLY	0	0.045	0.014	31.566	0.573	0.573	0.000	0.000	0.000	0.000
656	B	199	ASN	0	-0.068	-0.032	31.947	-2.267	-2.267	0.000	0.000	0.000	0.000
657	B	200	GLN	0	0.031	0.025	30.534	-0.535	-0.535	0.000	0.000	0.000	0.000
658	B	201	VAL	0	-0.004	-0.015	34.023	-0.767	-0.767	0.000	0.000	0.000	0.000
659	B	202	PHE	0	-0.014	-0.006	34.919	-0.896	-0.896	0.000	0.000	0.000	0.000
660	B	203	ALA	0	-0.019	-0.032	37.389	-0.947	-0.947	0.000	0.000	0.000	0.000
661	B	204	PRO	0	0.029	0.040	37.171	0.660	0.660	0.000	0.000	0.000	0.000
662	B	205	PHE	0	0.075	0.031	34.523	-0.767	-0.767	0.000	0.000	0.000	0.000
663	B	206	LYS	1	0.912	0.962	36.994	-30.363	-30.363	0.000	0.000	0.000	0.000
664	B	207	ASP	-1	-0.918	-0.959	39.978	26.696	26.696	0.000	0.000	0.000	0.000
665	B	208	THR	0	-0.010	-0.012	38.836	-0.766	-0.766	0.000	0.000	0.000	0.000
666	B	209	VAL	0	0.011	0.011	38.071	-0.477	-0.477	0.000	0.000	0.000	0.000
667	B	210	ARG	1	0.934	0.966	40.919	-27.258	-27.258	0.000	0.000	0.000	0.000
668	B	211	ALA	0	0.009	0.017	44.292	-0.545	-0.545	0.000	0.000	0.000	0.000
669	B	212	VAL	0	0.011	0.000	40.995	-0.545	-0.545	0.000	0.000	0.000	0.000
670	B	213	ALA	0	0.014	0.008	44.224	-0.365	-0.365	0.000	0.000	0.000	0.000
671	B	214	ASP	-1	-0.933	-0.967	45.815	22.893	22.893	0.000	0.000	0.000	0.000
672	B	215	ALA	0	-0.017	-0.010	46.660	-0.480	-0.480	0.000	0.000	0.000	0.000
673	B	216	MET	0	-0.022	0.004	43.547	-0.351	-0.351	0.000	0.000	0.000	0.000
674	B	217	ARG	1	0.959	0.978	47.967	-24.509	-24.509	0.000	0.000	0.000	0.000
675	B	218	ARG	1	0.941	0.981	50.194	-23.579	-23.579	0.000	0.000	0.000	0.000
676	B	219	ALA	0	0.002	-0.008	49.956	-0.410	-0.410	0.000	0.000	0.000	0.000
677	B	220	GLN	0	-0.014	-0.005	48.747	0.158	0.158	0.000	0.000	0.000	0.000
678	B	221	ASP	-1	-0.917	-0.943	52.681	21.401	21.401	0.000	0.000	0.000	0.000
679	B	222	LYS	1	0.837	0.926	55.274	-20.868	-20.868	0.000	0.000	0.000	0.000
680	B	223	THR	0	-0.060	-0.055	53.214	-0.243	-0.243	0.000	0.000	0.000	0.000
681	B	224	GLY	0	0.012	0.024	55.853	-0.185	-0.185	0.000	0.000	0.000	0.000
682	B	225	GLU	-1	-0.986	-0.985	51.887	22.846	22.846	0.000	0.000	0.000	0.000
683	B	226	ALA	0	-0.003	-0.005	48.465	0.123	0.123	0.000	0.000	0.000	0.000
684	B	227	LYS	1	0.842	0.929	46.535	-23.970	-23.970	0.000	0.000	0.000	0.000
685	B	228	LEU	0	0.004	-0.007	41.551	0.206	0.206	0.000	0.000	0.000	0.000
686	B	229	PHE	0	-0.008	-0.019	37.158	-0.225	-0.225	0.000	0.000	0.000	0.000
687	B	230	SER	0	-0.043	-0.025	34.139	0.388	0.388	0.000	0.000	0.000	0.000
688	B	231	PHE	0	0.042	0.006	34.928	-0.015	-0.015	0.000	0.000	0.000	0.000
689	B	232	ASN	0	0.022	0.023	28.598	1.598	1.598	0.000	0.000	0.000	0.000
690	B	233	ILE	0	-0.056	-0.029	29.103	-0.639	-0.639	0.000	0.000	0.000	0.000
691	B	234	THR	0	0.008	-0.007	23.950	1.145	1.145	0.000	0.000	0.000	0.000
692	B	235	ALA	0	0.004	-0.014	24.831	-0.874	-0.874	0.000	0.000	0.000	0.000
693	B	236	ASP	-1	-0.798	-0.891	20.308	53.149	53.149	0.000	0.000	0.000	0.000
694	B	237	ASP	-1	-0.801	-0.912	21.649	44.633	44.633	0.000	0.000	0.000	0.000
695	B	238	HIS	1	0.905	0.927	23.773	-44.605	-44.605	0.000	0.000	0.000	0.000
696	B	239	TYR	0	0.025	-0.007	25.431	-1.783	-1.783	0.000	0.000	0.000	0.000
697	B	240	GLU	-1	-0.728	-0.829	27.360	35.297	35.297	0.000	0.000	0.000	0.000
698	B	241	MET	0	-0.050	-0.012	25.391	-0.498	-0.498	0.000	0.000	0.000	0.000
699	B	242	LEU	0	-0.033	-0.013	28.978	-1.005	-1.005	0.000	0.000	0.000	0.000
700	B	243	ALA	0	0.028	0.020	31.611	-1.185	-1.185	0.000	0.000	0.000	0.000
701	B	244	ARG	1	0.751	0.857	29.994	-38.392	-38.392	0.000	0.000	0.000	0.000
702	B	245	GLY	0	0.043	0.013	33.125	-0.946	-0.946	0.000	0.000	0.000	0.000
703	B	246	GLU	-1	-0.898	-0.962	34.708	32.358	32.358	0.000	0.000	0.000	0.000
704	B	247	PHE	0	-0.004	-0.004	37.084	-1.076	-1.076	0.000	0.000	0.000	0.000
705	B	248	ILE	0	-0.007	0.009	35.493	-0.906	-0.906	0.000	0.000	0.000	0.000
706	B	249	LEU	0	-0.019	-0.005	37.530	-0.774	-0.774	0.000	0.000	0.000	0.000
707	B	250	GLU	-1	-0.951	-0.965	40.882	26.805	26.805	0.000	0.000	0.000	0.000
708	B	251	THR	0	-0.080	-0.059	42.166	-0.867	-0.867	0.000	0.000	0.000	0.000
709	B	252	PHE	0	-0.058	-0.047	41.618	-0.597	-0.597	0.000	0.000	0.000	0.000
710	B	253	ALA	0	0.021	0.030	44.858	-0.554	-0.554	0.000	0.000	0.000	0.000
711	B	254	ASP	-1	-0.941	-0.964	46.543	24.118	24.118	0.000	0.000	0.000	0.000
712	B	255	ASN	0	-0.002	-0.005	46.332	-0.199	-0.199	0.000	0.000	0.000	0.000
713	B	256	ALA	0	0.025	0.007	42.530	0.556	0.556	0.000	0.000	0.000	0.000
714	B	257	ASP	-1	-0.883	-0.946	41.812	26.947	26.947	0.000	0.000	0.000	0.000
715	B	258	HIS	1	0.802	0.899	42.862	-25.599	-25.599	0.000	0.000	0.000	0.000
716	B	259	ILE	0	-0.008	0.001	37.568	0.188	0.188	0.000	0.000	0.000	0.000
717	B	260	ALA	0	-0.029	-0.005	35.474	0.230	0.230	0.000	0.000	0.000	0.000
718	B	261	PHE	0	-0.017	-0.022	31.770	-0.212	-0.212	0.000	0.000	0.000	0.000
719	B	262	LEU	0	0.008	0.006	28.657	0.634	0.634	0.000	0.000	0.000	0.000
720	B	263	VAL	0	0.013	-0.007	24.351	0.298	0.298	0.000	0.000	0.000	0.000
721	B	264	ASP	-1	-0.809	-0.923	23.231	43.138	43.138	0.000	0.000	0.000	0.000
722	B	265	GLY	0	-0.006	-0.012	22.067	1.814	1.814	0.000	0.000	0.000	0.000
723	B	266	TYR	0	-0.065	-0.016	15.739	1.994	1.994	0.000	0.000	0.000	0.000
724	B	267	VAL	0	-0.009	-0.003	17.551	2.858	2.858	0.000	0.000	0.000	0.000
725	B	268	ALA	0	0.004	-0.004	17.606	2.122	2.122	0.000	0.000	0.000	0.000
726	B	269	GLY	0	0.012	0.007	17.285	1.901	1.901	0.000	0.000	0.000	0.000
727	B	270	PRO	0	0.042	0.011	16.425	-3.039	-3.039	0.000	0.000	0.000	0.000
728	B	271	ALA	0	0.014	0.022	17.917	-2.417	-2.417	0.000	0.000	0.000	0.000
729	B	272	ALA	0	0.014	0.002	19.737	-2.393	-2.393	0.000	0.000	0.000	0.000
730	B	273	VAL	0	-0.016	-0.004	22.318	-2.361	-2.361	0.000	0.000	0.000	0.000
731	B	274	THR	0	0.041	0.015	21.717	-2.285	-2.285	0.000	0.000	0.000	0.000
732	B	275	THR	0	-0.026	0.008	23.466	-1.617	-1.617	0.000	0.000	0.000	0.000
733	B	276	ALA	0	0.014	0.013	25.681	-1.512	-1.512	0.000	0.000	0.000	0.000
734	B	277	ARG	1	0.817	0.919	26.885	-39.736	-39.736	0.000	0.000	0.000	0.000
735	B	278	ARG	1	0.743	0.838	25.109	-44.837	-44.837	0.000	0.000	0.000	0.000
736	B	279	ALA	0	-0.022	0.008	29.014	-0.967	-0.967	0.000	0.000	0.000	0.000
737	B	280	PHE	0	-0.015	-0.013	31.025	-1.248	-1.248	0.000	0.000	0.000	0.000
738	B	281	PRO	0	0.035	0.033	32.661	-0.277	-0.277	0.000	0.000	0.000	0.000
739	B	282	LYS	1	0.919	0.965	33.823	-29.188	-29.188	0.000	0.000	0.000	0.000
740	B	283	GLN	0	-0.021	-0.010	35.283	-1.158	-1.158	0.000	0.000	0.000	0.000
741	B	284	TYR	0	-0.004	-0.016	34.332	1.044	1.044	0.000	0.000	0.000	0.000
742	B	285	LEU	0	0.014	0.019	27.625	-0.051	-0.051	0.000	0.000	0.000	0.000
743	B	286	HIS	0	-0.025	-0.024	30.706	-0.411	-0.411	0.000	0.000	0.000	0.000
744	B	287	TYR	0	0.033	0.007	21.324	0.985	0.985	0.000	0.000	0.000	0.000
745	B	288	HIS	0	0.219	0.115	26.339	-1.408	-1.408	0.000	0.000	0.000	0.000
746	B	289	ARG	1	0.792	0.864	23.447	-40.139	-40.139	0.000	0.000	0.000	0.000
747	B	290	ALA	0	0.045	0.026	22.957	1.295	1.295	0.000	0.000	0.000	0.000
748	B	291	GLY	0	0.053	0.021	20.183	1.523	1.523	0.000	0.000	0.000	0.000
749	B	292	HIS	0	-0.003	-0.014	19.414	1.377	1.377	0.000	0.000	0.000	0.000
750	B	293	GLY	0	-0.016	0.004	20.028	1.546	1.546	0.000	0.000	0.000	0.000
751	B	294	ALA	0	0.027	0.019	16.996	-0.118	-0.118	0.000	0.000	0.000	0.000
752	B	295	VAL	0	-0.021	-0.010	14.739	2.096	2.096	0.000	0.000	0.000	0.000
753	B	296	THR	0	-0.050	-0.021	17.887	-1.856	-1.856	0.000	0.000	0.000	0.000
754	B	297	SER	0	-0.017	-0.008	21.338	-1.128	-1.128	0.000	0.000	0.000	0.000
755	B	298	PRO	0	0.035	-0.001	22.481	2.155	2.155	0.000	0.000	0.000	0.000
756	B	299	GLN	0	0.006	0.014	21.744	1.755	1.755	0.000	0.000	0.000	0.000
757	B	300	SER	0	-0.026	0.004	18.067	2.324	2.324	0.000	0.000	0.000	0.000
758	B	301	LYS	1	0.936	0.971	18.888	-51.688	-51.688	0.000	0.000	0.000	0.000
759	B	302	ARG	1	0.823	0.905	10.529	-83.097	-83.097	0.000	0.000	0.000	0.000
760	B	303	GLY	0	0.067	0.031	14.118	-3.041	-3.041	0.000	0.000	0.000	0.000
761	B	304	TYR	0	0.025	0.007	14.912	-1.376	-1.376	0.000	0.000	0.000	0.000
762	B	305	THR	0	0.047	0.025	18.125	-0.965	-0.965	0.000	0.000	0.000	0.000
763	B	306	ALA	0	0.069	0.020	21.752	0.854	0.854	0.000	0.000	0.000	0.000
764	B	307	PHE	0	0.031	0.022	24.244	-0.508	-0.508	0.000	0.000	0.000	0.000
765	B	308	VAL	0	0.017	0.010	18.893	-0.570	-0.570	0.000	0.000	0.000	0.000
766	B	309	LEU	0	-0.012	-0.009	20.088	0.294	0.294	0.000	0.000	0.000	0.000
767	B	310	SER	0	0.017	-0.008	21.867	-0.712	-0.712	0.000	0.000	0.000	0.000
768	B	311	LYS	1	0.825	0.917	23.907	-45.456	-45.456	0.000	0.000	0.000	0.000
769	B	312	MET	0	-0.021	-0.012	17.712	0.292	0.292	0.000	0.000	0.000	0.000
770	B	313	ALA	0	-0.006	0.004	22.396	-0.118	-0.118	0.000	0.000	0.000	0.000
771	B	314	ARG	1	0.800	0.911	24.585	-37.197	-37.197	0.000	0.000	0.000	0.000
772	B	315	LEU	0	-0.015	-0.021	22.685	-0.921	-0.921	0.000	0.000	0.000	0.000
773	B	316	GLN	0	0.001	-0.020	21.149	0.311	0.311	0.000	0.000	0.000	0.000
774	B	317	GLY	0	0.021	0.026	24.357	-0.366	-0.366	0.000	0.000	0.000	0.000
775	B	318	ALA	0	-0.007	-0.002	27.168	-1.035	-1.035	0.000	0.000	0.000	0.000
776	B	319	SER	0	0.005	0.004	28.891	-0.462	-0.462	0.000	0.000	0.000	0.000
777	B	320	GLY	0	0.002	0.005	31.650	-1.151	-1.151	0.000	0.000	0.000	0.000
778	B	321	ILE	0	-0.019	-0.002	25.196	1.053	1.053	0.000	0.000	0.000	0.000
779	B	322	HIS	0	0.019	0.045	28.457	-1.276	-1.276	0.000	0.000	0.000	0.000
780	B	323	THR	0	-0.007	-0.010	28.319	1.095	1.095	0.000	0.000	0.000	0.000
781	B	324	GLY	0	0.046	0.035	30.297	0.410	0.410	0.000	0.000	0.000	0.000
782	B	325	THR	0	-0.029	-0.023	31.486	-0.849	-0.849	0.000	0.000	0.000	0.000
783	B	326	MET	0	-0.041	-0.005	33.355	-1.279	-1.279	0.000	0.000	0.000	0.000
784	B	327	GLY	0	0.044	0.032	34.180	-0.623	-0.623	0.000	0.000	0.000	0.000
785	B	328	PHE	0	-0.023	-0.007	35.627	-0.759	-0.759	0.000	0.000	0.000	0.000
786	B	329	GLY	0	0.005	0.010	36.334	-0.966	-0.966	0.000	0.000	0.000	0.000
787	B	330	LYS	1	0.711	0.838	32.429	-34.148	-34.148	0.000	0.000	0.000	0.000
788	B	331	ALA	0	-0.008	0.001	29.577	0.379	0.379	0.000	0.000	0.000	0.000
789	B	332	GLU	-1	-0.873	-0.911	26.129	42.331	42.331	0.000	0.000	0.000	0.000
790	B	333	GLY	0	0.015	0.002	29.558	0.619	0.619	0.000	0.000	0.000	0.000
791	B	334	GLU	-1	-0.960	-0.985	30.446	37.222	37.222	0.000	0.000	0.000	0.000
792	B	335	ALA	0	0.031	0.024	33.572	0.115	0.115	0.000	0.000	0.000	0.000
793	B	336	ALA	0	0.002	-0.010	33.161	-0.393	-0.393	0.000	0.000	0.000	0.000
794	B	337	ASP	-1	-0.820	-0.917	30.554	39.057	39.057	0.000	0.000	0.000	0.000
795	B	338	ARG	1	0.917	0.949	32.387	-31.136	-31.136	0.000	0.000	0.000	0.000
796	B	339	ALA	0	-0.007	-0.007	32.136	-0.222	-0.222	0.000	0.000	0.000	0.000
797	B	340	ILE	0	-0.030	-0.014	27.847	0.667	0.667	0.000	0.000	0.000	0.000
798	B	341	ALA	0	-0.008	-0.005	30.726	0.233	0.233	0.000	0.000	0.000	0.000
799	B	342	TYR	0	0.013	-0.012	33.652	-0.023	-0.023	0.000	0.000	0.000	0.000
800	B	343	MET	0	-0.018	0.021	28.425	-0.050	-0.050	0.000	0.000	0.000	0.000
801	B	344	ILE	0	-0.038	-0.024	28.786	0.603	0.603	0.000	0.000	0.000	0.000
802	B	345	THR	0	-0.028	-0.022	31.417	-0.071	-0.071	0.000	0.000	0.000	0.000
803	B	346	GLU	-1	-0.900	-0.937	35.065	29.889	29.889	0.000	0.000	0.000	0.000
804	B	347	ASP	-1	-0.865	-0.927	34.658	33.666	33.666	0.000	0.000	0.000	0.000
805	B	348	ALA	0	-0.010	-0.008	34.670	0.724	0.724	0.000	0.000	0.000	0.000
806	B	349	ALA	0	-0.024	-0.008	32.671	-0.631	-0.631	0.000	0.000	0.000	0.000
807	B	350	ASP	-1	-0.893	-0.948	32.376	35.351	35.351	0.000	0.000	0.000	0.000
808	B	351	GLY	0	0.009	-0.001	28.530	-0.147	-0.147	0.000	0.000	0.000	0.000
809	B	352	PRO	0	-0.085	-0.041	26.243	-0.791	-0.791	0.000	0.000	0.000	0.000
810	B	353	TYR	0	-0.040	-0.031	25.354	-0.216	-0.216	0.000	0.000	0.000	0.000
811	B	354	PHE	0	-0.026	-0.008	23.160	-0.318	-0.318	0.000	0.000	0.000	0.000
812	B	355	HIS	1	0.884	0.958	28.616	-35.014	-35.014	0.000	0.000	0.000	0.000
813	B	356	GLN	0	-0.023	-0.027	27.192	2.489	2.489	0.000	0.000	0.000	0.000
814	B	357	GLU	-1	-0.846	-0.924	30.704	32.170	32.170	0.000	0.000	0.000	0.000
815	B	358	TRP	0	0.027	-0.025	26.944	2.027	2.027	0.000	0.000	0.000	0.000
816	B	359	LEU	0	-0.063	-0.030	31.599	0.261	0.261	0.000	0.000	0.000	0.000
817	B	360	GLY	0	0.017	0.010	34.793	-0.157	-0.157	0.000	0.000	0.000	0.000
818	B	361	MET	0	-0.058	0.004	27.946	0.099	0.099	0.000	0.000	0.000	0.000
819	B	362	ASN	0	-0.031	-0.028	33.462	-1.091	-1.091	0.000	0.000	0.000	0.000
820	B	363	PRO	0	0.000	0.016	32.927	1.078	1.078	0.000	0.000	0.000	0.000
821	B	364	THR	0	-0.027	-0.019	29.442	0.165	0.165	0.000	0.000	0.000	0.000
822	B	365	THR	0	-0.045	-0.037	32.537	-0.675	-0.675	0.000	0.000	0.000	0.000
823	B	366	PRO	0	0.026	0.007	33.010	0.878	0.878	0.000	0.000	0.000	0.000
824	B	367	ILE	0	-0.029	-0.008	32.147	-1.093	-1.093	0.000	0.000	0.000	0.000
825	B	368	ILE	0	-0.029	-0.017	33.144	0.858	0.858	0.000	0.000	0.000	0.000
826	B	369	SER	0	0.045	0.000	33.031	-1.221	-1.221	0.000	0.000	0.000	0.000
827	B	370	GLY	0	0.070	0.037	33.311	0.882	0.882	0.000	0.000	0.000	0.000
828	B	371	GLY	0	-0.020	-0.014	34.284	-0.079	-0.079	0.000	0.000	0.000	0.000
829	B	372	MET	0	-0.027	0.001	37.323	-0.518	-0.518	0.000	0.000	0.000	0.000
830	B	373	ASN	0	0.017	-0.033	39.713	-0.462	-0.462	0.000	0.000	0.000	0.000
831	B	374	ALA	0	0.029	0.008	43.401	0.090	0.090	0.000	0.000	0.000	0.000
832	B	375	LEU	0	-0.003	0.000	46.486	-0.144	-0.144	0.000	0.000	0.000	0.000
833	B	376	ARG	1	0.831	0.896	39.645	-29.169	-29.169	0.000	0.000	0.000	0.000
834	B	377	MET	0	-0.060	-0.003	43.026	0.313	0.313	0.000	0.000	0.000	0.000
835	B	378	PRO	0	0.019	0.011	44.283	0.260	0.260	0.000	0.000	0.000	0.000
836	B	379	GLY	0	0.064	0.039	44.625	0.025	0.025	0.000	0.000	0.000	0.000
837	B	380	PHE	0	-0.004	0.000	36.798	0.353	0.353	0.000	0.000	0.000	0.000
838	B	381	PHE	0	-0.007	-0.028	41.534	0.502	0.502	0.000	0.000	0.000	0.000
839	B	382	ASP	-1	-0.904	-0.932	43.746	25.585	25.585	0.000	0.000	0.000	0.000
840	B	383	ASN	0	-0.064	-0.021	37.822	-0.081	-0.081	0.000	0.000	0.000	0.000
841	B	384	LEU	0	-0.050	-0.017	37.478	0.502	0.502	0.000	0.000	0.000	0.000
842	B	385	GLY	0	0.040	0.023	40.511	0.212	0.212	0.000	0.000	0.000	0.000
843	B	386	HIS	0	-0.033	-0.018	38.870	-1.169	-1.169	0.000	0.000	0.000	0.000
844	B	387	SER	0	0.014	-0.026	42.712	0.409	0.409	0.000	0.000	0.000	0.000
845	B	388	ASN	0	-0.041	-0.024	42.139	-0.612	-0.612	0.000	0.000	0.000	0.000
846	B	389	LEU	0	0.001	-0.006	38.419	0.680	0.680	0.000	0.000	0.000	0.000
847	B	390	ILE	0	0.021	0.018	36.841	-0.805	-0.805	0.000	0.000	0.000	0.000
848	B	391	MET	0	-0.010	0.001	37.747	0.511	0.511	0.000	0.000	0.000	0.000
849	B	392	THR	0	-0.035	-0.011	35.947	-0.479	-0.479	0.000	0.000	0.000	0.000
850	B	393	ALA	0	0.027	0.005	37.827	0.474	0.474	0.000	0.000	0.000	0.000
851	B	394	GLY	0	0.005	0.015	38.381	-0.652	-0.652	0.000	0.000	0.000	0.000
852	B	395	GLY	0	0.037	-0.007	38.896	-0.810	-0.810	0.000	0.000	0.000	0.000
853	B	396	GLY	0	-0.028	-0.012	40.771	-0.716	-0.716	0.000	0.000	0.000	0.000
854	B	397	ALA	0	-0.041	-0.012	42.798	-0.726	-0.726	0.000	0.000	0.000	0.000
855	B	398	PHE	0	0.010	-0.022	41.709	-0.773	-0.773	0.000	0.000	0.000	0.000
856	B	399	GLY	0	0.069	0.037	44.396	-0.209	-0.209	0.000	0.000	0.000	0.000
857	B	400	HIS	0	-0.081	-0.026	45.467	-0.366	-0.366	0.000	0.000	0.000	0.000
858	B	401	VAL	0	0.008	-0.013	48.618	-0.131	-0.131	0.000	0.000	0.000	0.000
859	B	402	ASP	-1	-0.852	-0.906	51.680	21.377	21.377	0.000	0.000	0.000	0.000
860	B	403	GLY	0	0.002	0.006	50.189	-0.243	-0.243	0.000	0.000	0.000	0.000
861	B	404	GLY	0	0.056	0.021	47.518	0.117	0.117	0.000	0.000	0.000	0.000
862	B	405	ALA	0	0.017	0.016	48.336	0.192	0.192	0.000	0.000	0.000	0.000
863	B	406	ALA	0	-0.017	-0.012	50.953	-0.038	-0.038	0.000	0.000	0.000	0.000
864	B	407	GLY	0	0.066	0.028	47.719	0.046	0.046	0.000	0.000	0.000	0.000
865	B	408	ALA	0	0.012	0.014	46.898	0.252	0.252	0.000	0.000	0.000	0.000
866	B	409	LYS	1	0.957	0.970	47.921	-21.845	-21.845	0.000	0.000	0.000	0.000
867	B	410	SER	0	-0.048	-0.020	48.438	-0.035	-0.035	0.000	0.000	0.000	0.000
868	B	411	LEU	0	0.035	0.004	43.567	0.020	0.020	0.000	0.000	0.000	0.000
869	B	412	ARG	1	0.828	0.908	47.223	-24.390	-24.390	0.000	0.000	0.000	0.000
870	B	413	GLN	0	-0.031	-0.038	49.456	-0.075	-0.075	0.000	0.000	0.000	0.000
871	B	414	ALA	0	0.034	0.019	47.646	-0.217	-0.217	0.000	0.000	0.000	0.000
872	B	415	GLU	-1	-0.850	-0.896	46.411	25.061	25.061	0.000	0.000	0.000	0.000
873	B	416	GLN	0	-0.011	-0.014	48.567	-0.387	-0.387	0.000	0.000	0.000	0.000
874	B	417	CYS	0	-0.029	0.001	51.702	-0.341	-0.341	0.000	0.000	0.000	0.000
875	B	418	TRP	0	-0.028	-0.010	46.596	-0.158	-0.158	0.000	0.000	0.000	0.000
876	B	419	LYS	1	0.901	0.954	47.703	-25.261	-25.261	0.000	0.000	0.000	0.000
877	B	420	GLN	0	-0.079	-0.049	51.878	-0.432	-0.432	0.000	0.000	0.000	0.000
878	B	421	GLY	0	0.011	0.028	53.636	-0.370	-0.370	0.000	0.000	0.000	0.000
879	B	422	ALA	0	-0.052	-0.017	54.638	-0.314	-0.314	0.000	0.000	0.000	0.000
880	B	423	ASP	-1	-0.821	-0.927	54.417	22.206	22.206	0.000	0.000	0.000	0.000
881	B	424	PRO	0	0.029	-0.002	51.268	-0.286	-0.286	0.000	0.000	0.000	0.000
882	B	425	VAL	0	-0.004	-0.007	54.016	-0.136	-0.136	0.000	0.000	0.000	0.000
883	B	426	GLU	-1	-0.938	-0.980	56.572	19.658	19.658	0.000	0.000	0.000	0.000
884	B	427	PHE	0	0.027	0.015	54.131	-0.280	-0.280	0.000	0.000	0.000	0.000
885	B	428	ALA	0	-0.035	-0.014	55.715	-0.117	-0.117	0.000	0.000	0.000	0.000
886	B	429	LYS	1	0.867	0.955	57.279	-19.885	-19.885	0.000	0.000	0.000	0.000
887	B	430	ASP	-1	-0.916	-0.939	60.492	19.273	19.273	0.000	0.000	0.000	0.000
888	B	431	HIS	1	0.787	0.886	56.178	-21.089	-21.089	0.000	0.000	0.000	0.000
889	B	432	ARG	1	1.029	1.021	56.848	-20.202	-20.202	0.000	0.000	0.000	0.000
890	B	433	GLU	-1	-0.862	-0.924	52.987	21.613	21.613	0.000	0.000	0.000	0.000
891	B	434	PHE	0	0.013	0.001	49.598	0.356	0.356	0.000	0.000	0.000	0.000
892	B	435	ALA	0	0.010	0.003	52.758	0.277	0.277	0.000	0.000	0.000	0.000
893	B	436	ARG	1	0.748	0.854	54.346	-21.441	-21.441	0.000	0.000	0.000	0.000
894	B	437	ALA	0	0.038	0.029	48.901	0.250	0.250	0.000	0.000	0.000	0.000
895	B	438	PHE	0	-0.033	-0.024	49.786	0.434	0.434	0.000	0.000	0.000	0.000
896	B	439	GLU	-1	-0.941	-0.987	51.760	21.242	21.242	0.000	0.000	0.000	0.000
897	B	440	SER	0	-0.035	0.008	48.667	-0.001	-0.001	0.000	0.000	0.000	0.000
898	B	441	PHE	0	-0.019	0.002	44.620	0.424	0.424	0.000	0.000	0.000	0.000
899	B	442	PRO	0	0.038	0.015	47.777	0.038	0.038	0.000	0.000	0.000	0.000
900	B	443	GLN	0	0.032	0.016	43.755	-0.575	-0.575	0.000	0.000	0.000	0.000
901	B	444	ASP	-1	-0.790	-0.884	43.606	27.769	27.769	0.000	0.000	0.000	0.000
902	B	445	ALA	0	0.013	0.007	46.323	-0.033	-0.033	0.000	0.000	0.000	0.000
903	B	446	ASP	-1	-0.913	-0.957	49.880	22.883	22.883	0.000	0.000	0.000	0.000
904	B	447	LYS	1	0.891	0.941	43.215	-27.387	-27.387	0.000	0.000	0.000	0.000
905	B	448	LEU	0	-0.008	-0.001	44.664	-0.048	-0.048	0.000	0.000	0.000	0.000
906	B	449	TYR	0	-0.028	-0.018	48.500	-0.355	-0.355	0.000	0.000	0.000	0.000
907	B	450	PRO	0	0.043	0.027	51.604	-0.460	-0.460	0.000	0.000	0.000	0.000
908	B	451	ASN	0	-0.081	-0.045	54.197	-0.123	-0.123	0.000	0.000	0.000	0.000
909	B	452	TRP	0	0.030	0.005	53.314	-0.614	-0.614	0.000	0.000	0.000	0.000
910	B	453	ARG	1	0.903	0.960	53.819	-22.280	-22.280	0.000	0.000	0.000	0.000
911	B	454	ALA	0	-0.032	-0.007	58.972	-0.289	-0.289	0.000	0.000	0.000	0.000
912	B	455	LYS	1	0.974	1.000	59.631	-20.883	-20.883	0.000	0.000	0.000	0.000
914	B	500	CAP	-4	-3.159	-3.576	28.091	141.167	141.167	0.000	0.000	0.000	0.000

Top

Graph

Manual

About

Interactive mode: IFIE and PIEDA for fragment #913(A:500:CAP)