FMO DATABASE

FMODB ID: 944N2

Calculation Name: 4A11-A-Xray372

Preferred Name: CRL4(CRBN) E3 ubiquitin ligase

Target Type: PROTEIN COMPLEX

Ligand Name:

ligand 3-letter code:

PDB ID: 4A11

Chain ID: A

ChEMBL ID: CHEMBL3833061

UniProt ID: Q16531

Base Structure: X-ray

Registration Date: 2023-06-21

Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.

DOI:

IFIE MAP

IFIE Diagram

Modeling method

Optimization	MOE:Amber10:EHT
Restraint	OptH
Protonation	MOE:Protonate 3D
Complement	MOE:Structure Preparation
Water	No
Procedure	Auto-FMO protocol ver. 2.20220422

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	1104
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-34511247.739425
FMO2-HF: Nuclear repulsion	34075471.208264
FMO2-HF: Total energy	-435776.531162
FMO2-MP2: Total energy	-437037.896099

3D Structure

Snapshot

Ligand structure

Ligand Interaction

Ligand binding energy

IFIE [kcal/mol]	PIEDA [kcal/mol]				Charge transfer value [e]
IFIE SUMIFIE SUM at MP2 level.	ESElectro static interaction energy.	EXExchange-repulsion energy.	CT+mixCharge transfer and mixing terms energy.	DI(MP2)Dispersion energy.	q(I=>J)Charge transfer value from I to J fragments.
N/A	N/A	N/A	N/A	N/A	N/A

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

Summations of interaction energy for fragment #1(A:1:MET)

IFIE [kcal/mol]	PIEDA [kcal/mol]				Charge transfer value [e]
IFIE SUMIFIE SUM at MP2 level.	ESElectro static interaction energy.	EXExchange-repulsion energy.	CT+mixCharge transfer and mixing terms energy.	DI(MP2)Dispersion energy.	q(I=>J)Charge transfer value from I to J fragments.
-24.925	-45.875	70.308	-28.88	-20.479	0.008

Interaction energy analysis for fragmet #1(A:1:MET)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.115 / q_NPA : 0.111

Distance from base fragment(s) [Å]

Dist

Interaction energy by IFIE and PIEDA
[kcal/mol]

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

Fragment charge [e]

FCHARGE q_Mulliken
q_NPA q(I=>J)

Residue

Res # RES

Sort

Graph Options

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

frag_NumFragment number.	ChainChain species.	Res #Residue number.	RES3-letter code of amino acid residue, ligand and solvent molecule.	FCHARGEFormal charge [e].	q_MullikenFragment charge evaluated by Mulliken charge [e].	q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e].	DISTDistance from Ligand [Å].	TotalIFIE at MP2 level [kcal/mol].	ESElectro static interaction energy by PIEDA [kcal/mol].	EXExchange-repulsion energy by PIEDA [kcal/mol].	CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol].	DI(MP2)Dispersion energy by PIEDA [kcal/mol].	q(I=>J)Charge transfer value from I to J fragmens [e].
3	A	3	TYR	0	-0.067	-0.024	2.883	-2.957	1.523	0.077	-2.094	-2.464	0.008
4	A	4	ASN	0	0.007	-0.006	3.374	-1.333	0.421	0.119	-0.862	-1.013	0.004
5	A	5	TYR	0	0.023	0.042	5.792	-0.506	-0.506	0.000	0.000	0.000	0.000
6	A	6	VAL	0	0.014	-0.009	8.715	0.032	0.032	0.000	0.000	0.000	0.000
7	A	7	VAL	0	0.013	0.015	11.377	-0.044	-0.044	0.000	0.000	0.000	0.000
8	A	8	THR	0	-0.055	-0.059	14.526	-0.021	-0.021	0.000	0.000	0.000	0.000
9	A	9	ALA	0	-0.008	0.009	17.185	-0.005	-0.005	0.000	0.000	0.000	0.000
10	A	10	GLN	0	-0.012	-0.002	18.837	-0.013	-0.013	0.000	0.000	0.000	0.000
11	A	11	LYS	1	0.966	0.972	21.738	-0.155	-0.155	0.000	0.000	0.000	0.000
12	A	12	PRO	0	-0.014	0.001	23.463	-0.007	-0.007	0.000	0.000	0.000	0.000
13	A	13	THR	0	-0.012	-0.022	25.194	-0.001	-0.001	0.000	0.000	0.000	0.000
14	A	14	ALA	0	-0.036	0.013	28.263	-0.008	-0.008	0.000	0.000	0.000	0.000
15	A	15	VAL	0	-0.036	-0.020	30.274	0.004	0.004	0.000	0.000	0.000	0.000
16	A	16	ASN	0	0.039	0.011	30.549	0.000	0.000	0.000	0.000	0.000	0.000
17	A	17	GLY	0	0.030	-0.008	33.464	-0.004	-0.004	0.000	0.000	0.000	0.000
18	A	18	CYS	0	-0.048	0.000	36.166	0.004	0.004	0.000	0.000	0.000	0.000
19	A	19	VAL	0	0.029	0.013	38.883	-0.003	-0.003	0.000	0.000	0.000	0.000
20	A	20	THR	0	-0.006	-0.001	41.763	0.003	0.003	0.000	0.000	0.000	0.000
21	A	21	GLY	0	0.074	0.027	44.631	-0.002	-0.002	0.000	0.000	0.000	0.000
22	A	22	HIS	0	-0.063	-0.014	46.341	0.000	0.000	0.000	0.000	0.000	0.000
23	A	23	PHE	0	-0.007	-0.009	38.726	0.000	0.000	0.000	0.000	0.000	0.000
24	A	24	THR	0	-0.021	-0.036	41.882	0.000	0.000	0.000	0.000	0.000	0.000
25	A	25	SER	0	0.022	-0.008	44.355	-0.001	-0.001	0.000	0.000	0.000	0.000
26	A	26	ALA	0	-0.035	-0.009	48.111	0.000	0.000	0.000	0.000	0.000	0.000
27	A	27	GLU	-1	-0.937	-0.977	50.931	0.035	0.035	0.000	0.000	0.000	0.000
28	A	28	ASP	-1	-0.922	-0.939	47.107	0.051	0.051	0.000	0.000	0.000	0.000
29	A	29	LEU	0	0.002	0.002	47.340	-0.001	-0.001	0.000	0.000	0.000	0.000
30	A	30	ASN	0	-0.035	-0.038	42.808	0.001	0.001	0.000	0.000	0.000	0.000
31	A	31	LEU	0	0.037	0.026	39.783	-0.002	-0.002	0.000	0.000	0.000	0.000
32	A	32	LEU	0	-0.050	-0.033	37.976	0.004	0.004	0.000	0.000	0.000	0.000
33	A	33	ILE	0	0.039	0.007	33.650	-0.004	-0.004	0.000	0.000	0.000	0.000
34	A	34	ALA	0	-0.020	-0.019	32.248	0.006	0.006	0.000	0.000	0.000	0.000
35	A	35	LYS	1	0.891	0.954	29.168	-0.095	-0.095	0.000	0.000	0.000	0.000
36	A	36	ASN	0	0.008	-0.020	23.869	0.002	0.002	0.000	0.000	0.000	0.000
37	A	37	THR	0	0.015	0.008	22.826	-0.003	-0.003	0.000	0.000	0.000	0.000
38	A	38	ARG	1	0.799	0.901	24.142	-0.150	-0.150	0.000	0.000	0.000	0.000
39	A	39	LEU	0	0.012	0.021	28.437	-0.009	-0.009	0.000	0.000	0.000	0.000
40	A	40	GLU	-1	-0.856	-0.933	31.649	0.098	0.098	0.000	0.000	0.000	0.000
41	A	41	ILE	0	0.000	-0.006	34.262	-0.006	-0.006	0.000	0.000	0.000	0.000
42	A	42	TYR	0	0.030	0.007	35.363	0.003	0.003	0.000	0.000	0.000	0.000
43	A	43	VAL	0	-0.038	-0.015	40.594	-0.002	-0.002	0.000	0.000	0.000	0.000
44	A	44	VAL	0	-0.005	0.003	44.263	0.001	0.001	0.000	0.000	0.000	0.000
45	A	45	THR	0	-0.043	-0.022	46.563	-0.001	-0.001	0.000	0.000	0.000	0.000
46	A	46	ALA	0	-0.033	-0.023	48.870	-0.001	-0.001	0.000	0.000	0.000	0.000
47	A	47	GLU	-1	-0.895	-0.954	48.673	0.042	0.042	0.000	0.000	0.000	0.000
48	A	48	GLY	0	0.035	0.026	45.681	0.002	0.002	0.000	0.000	0.000	0.000
49	A	49	LEU	0	-0.025	-0.015	40.141	-0.002	-0.002	0.000	0.000	0.000	0.000
50	A	50	ARG	1	0.984	1.003	41.926	-0.057	-0.057	0.000	0.000	0.000	0.000
51	A	51	PRO	0	0.039	0.020	37.133	-0.001	-0.001	0.000	0.000	0.000	0.000
52	A	52	VAL	0	-0.082	-0.027	38.297	0.000	0.000	0.000	0.000	0.000	0.000
53	A	53	LYS	1	0.931	0.956	32.293	-0.105	-0.105	0.000	0.000	0.000	0.000
54	A	54	GLU	-1	-0.824	-0.905	28.556	0.131	0.131	0.000	0.000	0.000	0.000
55	A	55	VAL	0	-0.043	-0.028	30.001	0.006	0.006	0.000	0.000	0.000	0.000
56	A	56	GLY	0	0.009	0.012	26.208	-0.001	-0.001	0.000	0.000	0.000	0.000
57	A	57	MET	0	-0.019	-0.009	27.158	-0.005	-0.005	0.000	0.000	0.000	0.000
58	A	58	TYR	0	-0.024	-0.026	23.506	0.007	0.007	0.000	0.000	0.000	0.000
59	A	59	GLY	0	0.055	-0.035	24.952	-0.009	-0.009	0.000	0.000	0.000	0.000
60	A	60	LYS	1	0.868	0.972	23.697	-0.093	-0.093	0.000	0.000	0.000	0.000
61	A	61	ILE	0	-0.017	-0.019	26.970	-0.008	-0.008	0.000	0.000	0.000	0.000
62	A	62	ALA	0	-0.040	-0.018	30.646	-0.002	-0.002	0.000	0.000	0.000	0.000
63	A	63	VAL	0	0.001	0.006	32.791	-0.004	-0.004	0.000	0.000	0.000	0.000
64	A	64	MET	0	-0.025	-0.006	35.775	0.006	0.006	0.000	0.000	0.000	0.000
65	A	65	GLU	-1	-0.894	-0.944	37.653	0.037	0.037	0.000	0.000	0.000	0.000
66	A	66	LEU	0	0.001	0.004	41.346	0.002	0.002	0.000	0.000	0.000	0.000
67	A	67	PHE	0	-0.008	-0.012	42.726	-0.003	-0.003	0.000	0.000	0.000	0.000
68	A	68	ARG	1	0.888	0.921	46.754	-0.035	-0.035	0.000	0.000	0.000	0.000
69	A	69	PRO	0	0.005	0.014	47.821	-0.002	-0.002	0.000	0.000	0.000	0.000
70	A	70	LYS	1	0.888	0.937	50.884	-0.023	-0.023	0.000	0.000	0.000	0.000
71	A	71	GLY	0	-0.013	-0.011	53.405	0.000	0.000	0.000	0.000	0.000	0.000
72	A	72	GLU	-1	-0.868	-0.921	47.485	0.040	0.040	0.000	0.000	0.000	0.000
73	A	73	SER	0	-0.062	-0.045	50.062	0.000	0.000	0.000	0.000	0.000	0.000
74	A	74	LYS	1	0.898	0.960	45.317	-0.050	-0.050	0.000	0.000	0.000	0.000
75	A	75	ASP	-1	-0.817	-0.883	45.889	0.039	0.039	0.000	0.000	0.000	0.000
76	A	76	LEU	0	-0.037	-0.016	43.163	0.003	0.003	0.000	0.000	0.000	0.000
77	A	77	LEU	0	0.002	-0.004	37.160	-0.001	-0.001	0.000	0.000	0.000	0.000
78	A	78	PHE	0	-0.019	-0.003	38.348	0.001	0.001	0.000	0.000	0.000	0.000
79	A	79	ILE	0	0.027	0.006	32.815	0.000	0.000	0.000	0.000	0.000	0.000
80	A	80	LEU	0	-0.047	-0.017	33.734	-0.002	-0.002	0.000	0.000	0.000	0.000
81	A	81	THR	0	-0.016	0.009	27.586	0.002	0.002	0.000	0.000	0.000	0.000
82	A	82	ALA	0	0.064	0.021	27.457	-0.006	-0.006	0.000	0.000	0.000	0.000
83	A	83	LYS	1	0.735	0.883	21.155	-0.120	-0.120	0.000	0.000	0.000	0.000
84	A	84	TYR	0	0.036	-0.001	28.009	-0.005	-0.005	0.000	0.000	0.000	0.000
85	A	85	ASN	0	0.030	-0.005	28.273	-0.001	-0.001	0.000	0.000	0.000	0.000
86	A	86	ALA	0	0.010	0.019	31.742	0.002	0.002	0.000	0.000	0.000	0.000
87	A	87	CYS	0	-0.035	-0.025	34.695	0.002	0.002	0.000	0.000	0.000	0.000
88	A	88	ILE	0	0.036	0.017	36.581	-0.001	-0.001	0.000	0.000	0.000	0.000
89	A	89	LEU	0	0.007	-0.013	34.642	0.001	0.001	0.000	0.000	0.000	0.000
90	A	90	GLU	-1	-0.739	-0.850	38.993	0.045	0.045	0.000	0.000	0.000	0.000
91	A	91	TYR	0	0.005	0.020	39.256	0.003	0.003	0.000	0.000	0.000	0.000
92	A	92	LYS	1	0.811	0.885	40.711	-0.056	-0.056	0.000	0.000	0.000	0.000
93	A	93	GLN	0	0.023	0.018	41.043	0.003	0.003	0.000	0.000	0.000	0.000
94	A	94	SER	0	-0.064	-0.026	42.510	-0.005	-0.005	0.000	0.000	0.000	0.000
95	A	95	GLY	0	0.021	0.014	43.418	0.003	0.003	0.000	0.000	0.000	0.000
96	A	96	GLU	-1	-0.891	-0.951	41.619	0.071	0.071	0.000	0.000	0.000	0.000
97	A	97	SER	0	-0.012	0.008	39.142	0.006	0.006	0.000	0.000	0.000	0.000
98	A	98	ILE	0	-0.012	-0.015	36.875	-0.005	-0.005	0.000	0.000	0.000	0.000
99	A	99	ASP	-1	-0.926	-0.960	36.157	0.094	0.094	0.000	0.000	0.000	0.000
100	A	100	ILE	0	-0.007	-0.010	34.975	-0.005	-0.005	0.000	0.000	0.000	0.000
101	A	101	ILE	0	-0.069	-0.026	35.970	0.002	0.002	0.000	0.000	0.000	0.000
102	A	102	THR	0	0.021	0.015	34.973	-0.002	-0.002	0.000	0.000	0.000	0.000
103	A	103	ARG	1	0.781	0.872	37.513	-0.046	-0.046	0.000	0.000	0.000	0.000
104	A	104	ALA	0	-0.046	-0.026	39.724	-0.004	-0.004	0.000	0.000	0.000	0.000
105	A	105	HIS	0	0.032	0.003	34.018	0.003	0.003	0.000	0.000	0.000	0.000
106	A	106	GLY	0	0.052	0.039	35.646	-0.003	-0.003	0.000	0.000	0.000	0.000
107	A	107	ASN	0	-0.029	-0.006	30.007	-0.002	-0.002	0.000	0.000	0.000	0.000
108	A	108	VAL	0	-0.004	-0.011	33.801	-0.005	-0.005	0.000	0.000	0.000	0.000
109	A	109	GLN	0	0.076	0.054	28.433	-0.005	-0.005	0.000	0.000	0.000	0.000
110	A	110	ASP	-1	-0.832	-0.906	33.603	0.010	0.010	0.000	0.000	0.000	0.000
111	A	111	ARG	1	0.753	0.868	32.093	-0.013	-0.013	0.000	0.000	0.000	0.000
112	A	112	ILE	0	0.053	0.026	32.453	-0.001	-0.001	0.000	0.000	0.000	0.000
113	A	113	GLY	0	0.018	-0.003	34.569	0.002	0.002	0.000	0.000	0.000	0.000
114	A	114	ARG	1	0.937	0.968	34.695	0.006	0.006	0.000	0.000	0.000	0.000
115	A	115	PRO	0	0.035	0.042	31.925	0.001	0.001	0.000	0.000	0.000	0.000
116	A	116	SER	0	0.025	0.009	34.970	-0.001	-0.001	0.000	0.000	0.000	0.000
117	A	117	GLU	-1	-0.920	-0.965	36.192	0.006	0.006	0.000	0.000	0.000	0.000
118	A	118	THR	0	-0.029	-0.005	36.657	0.002	0.002	0.000	0.000	0.000	0.000
119	A	119	GLY	0	0.037	0.031	35.281	0.003	0.003	0.000	0.000	0.000	0.000
120	A	120	ILE	0	-0.030	-0.030	32.315	-0.002	-0.002	0.000	0.000	0.000	0.000
121	A	121	ILE	0	0.032	0.038	36.214	0.001	0.001	0.000	0.000	0.000	0.000
122	A	122	GLY	0	-0.013	-0.013	39.554	-0.001	-0.001	0.000	0.000	0.000	0.000
123	A	123	ILE	0	0.013	0.012	40.425	-0.001	-0.001	0.000	0.000	0.000	0.000
124	A	124	ILE	0	0.050	0.000	42.971	0.000	0.000	0.000	0.000	0.000	0.000
125	A	125	ASP	-1	-0.780	-0.855	46.397	0.020	0.020	0.000	0.000	0.000	0.000
126	A	126	PRO	0	0.066	0.045	50.079	0.002	0.002	0.000	0.000	0.000	0.000
127	A	127	GLU	-1	-0.934	-0.964	52.200	0.022	0.022	0.000	0.000	0.000	0.000
128	A	128	CYS	0	-0.079	-0.042	49.381	0.001	0.001	0.000	0.000	0.000	0.000
129	A	129	ARG	1	0.825	0.887	50.338	-0.019	-0.019	0.000	0.000	0.000	0.000
130	A	130	MET	0	-0.062	-0.036	47.612	-0.001	-0.001	0.000	0.000	0.000	0.000
131	A	131	ILE	0	0.031	0.027	41.489	0.001	0.001	0.000	0.000	0.000	0.000
132	A	132	GLY	0	-0.043	-0.020	44.408	-0.002	-0.002	0.000	0.000	0.000	0.000
133	A	133	LEU	0	0.018	-0.003	37.943	0.003	0.003	0.000	0.000	0.000	0.000
134	A	134	ARG	1	0.864	0.941	38.870	-0.020	-0.020	0.000	0.000	0.000	0.000
135	A	135	LEU	0	-0.047	-0.023	35.511	0.002	0.002	0.000	0.000	0.000	0.000
136	A	136	TYR	0	0.048	0.010	32.815	0.001	0.001	0.000	0.000	0.000	0.000
137	A	137	ASP	-1	-0.855	-0.939	38.345	0.003	0.003	0.000	0.000	0.000	0.000
138	A	138	GLY	0	-0.057	-0.028	41.040	-0.002	-0.002	0.000	0.000	0.000	0.000
139	A	139	LEU	0	-0.077	-0.037	40.439	-0.001	-0.001	0.000	0.000	0.000	0.000
140	A	140	PHE	0	0.037	0.031	42.900	0.002	0.002	0.000	0.000	0.000	0.000
141	A	141	LYS	1	0.888	0.956	38.139	-0.019	-0.019	0.000	0.000	0.000	0.000
142	A	142	VAL	0	0.010	-0.001	42.734	0.002	0.002	0.000	0.000	0.000	0.000
143	A	143	ILE	0	0.031	-0.006	39.622	-0.001	-0.001	0.000	0.000	0.000	0.000
144	A	144	PRO	0	-0.103	-0.044	44.062	0.001	0.001	0.000	0.000	0.000	0.000
145	A	145	LEU	0	0.022	0.021	44.960	0.001	0.001	0.000	0.000	0.000	0.000
146	A	146	ASP	-1	-0.836	-0.923	48.287	0.019	0.019	0.000	0.000	0.000	0.000
147	A	147	ARG	1	0.856	0.934	46.793	-0.020	-0.020	0.000	0.000	0.000	0.000
148	A	148	ASP	-1	-0.828	-0.919	48.374	0.031	0.031	0.000	0.000	0.000	0.000
149	A	149	ASN	0	-0.084	-0.014	42.423	-0.001	-0.001	0.000	0.000	0.000	0.000
150	A	150	LYS	1	0.924	0.949	42.355	-0.033	-0.033	0.000	0.000	0.000	0.000
151	A	151	GLU	-1	-0.870	-0.957	39.546	0.029	0.029	0.000	0.000	0.000	0.000
152	A	152	LEU	0	-0.010	0.026	37.764	0.000	0.000	0.000	0.000	0.000	0.000
153	A	153	LYS	1	0.835	0.917	39.899	-0.024	-0.024	0.000	0.000	0.000	0.000
154	A	154	ALA	0	0.037	0.018	40.749	0.000	0.000	0.000	0.000	0.000	0.000
155	A	155	PHE	0	-0.088	-0.059	42.541	-0.002	-0.002	0.000	0.000	0.000	0.000
156	A	156	ASN	0	-0.034	-0.011	40.354	0.003	0.003	0.000	0.000	0.000	0.000
157	A	157	ILE	0	0.014	0.046	44.297	-0.001	-0.001	0.000	0.000	0.000	0.000
158	A	158	ARG	1	0.931	0.956	46.361	0.005	0.005	0.000	0.000	0.000	0.000
159	A	159	LEU	0	0.001	0.013	45.817	0.001	0.001	0.000	0.000	0.000	0.000
160	A	160	GLU	-1	-0.975	-0.991	47.658	-0.003	-0.003	0.000	0.000	0.000	0.000
161	A	161	GLU	-1	-0.791	-0.885	49.104	0.001	0.001	0.000	0.000	0.000	0.000
162	A	162	LEU	0	-0.060	-0.041	44.588	0.001	0.001	0.000	0.000	0.000	0.000
163	A	163	HIS	0	0.028	0.029	41.866	0.001	0.001	0.000	0.000	0.000	0.000
164	A	164	VAL	0	0.004	-0.005	43.739	0.000	0.000	0.000	0.000	0.000	0.000
165	A	165	ILE	0	-0.009	0.010	43.075	0.001	0.001	0.000	0.000	0.000	0.000
166	A	166	ASP	-1	-0.741	-0.881	43.143	0.024	0.024	0.000	0.000	0.000	0.000
167	A	167	VAL	0	-0.074	-0.048	44.435	-0.002	-0.002	0.000	0.000	0.000	0.000
168	A	168	LYS	1	0.906	0.971	45.088	-0.022	-0.022	0.000	0.000	0.000	0.000
169	A	169	PHE	0	-0.033	-0.010	46.450	-0.002	-0.002	0.000	0.000	0.000	0.000
170	A	170	LEU	0	-0.021	-0.018	50.661	0.001	0.001	0.000	0.000	0.000	0.000
171	A	171	TYR	0	0.010	-0.007	51.925	0.001	0.001	0.000	0.000	0.000	0.000
172	A	172	GLY	0	0.080	0.047	56.100	-0.001	-0.001	0.000	0.000	0.000	0.000
173	A	173	CYS	0	-0.066	-0.006	57.241	-0.001	-0.001	0.000	0.000	0.000	0.000
174	A	174	GLN	0	0.049	-0.006	58.694	0.001	0.001	0.000	0.000	0.000	0.000
175	A	175	ALA	0	-0.017	-0.004	57.211	0.000	0.000	0.000	0.000	0.000	0.000
176	A	176	PRO	0	0.000	0.028	52.182	0.000	0.000	0.000	0.000	0.000	0.000
177	A	177	THR	0	0.038	-0.013	54.161	-0.002	-0.002	0.000	0.000	0.000	0.000
178	A	178	ILE	0	-0.040	0.006	48.675	0.001	0.001	0.000	0.000	0.000	0.000
179	A	179	CYS	0	-0.016	-0.020	51.152	-0.002	-0.002	0.000	0.000	0.000	0.000
180	A	180	PHE	0	-0.017	-0.013	48.335	0.001	0.001	0.000	0.000	0.000	0.000
181	A	181	VAL	0	0.070	0.039	48.616	-0.001	-0.001	0.000	0.000	0.000	0.000
182	A	182	TYR	0	-0.061	-0.062	47.859	0.001	0.001	0.000	0.000	0.000	0.000
183	A	183	GLN	0	0.041	0.027	45.580	0.000	0.000	0.000	0.000	0.000	0.000
184	A	184	ASP	-1	-0.866	-0.930	48.611	-0.002	-0.002	0.000	0.000	0.000	0.000
185	A	185	PRO	0	-0.004	-0.022	50.877	0.000	0.000	0.000	0.000	0.000	0.000
186	A	186	GLN	0	-0.044	-0.023	52.345	-0.001	-0.001	0.000	0.000	0.000	0.000
187	A	187	GLY	0	0.022	0.022	53.136	0.000	0.000	0.000	0.000	0.000	0.000
188	A	188	ARG	1	0.858	0.934	45.140	-0.005	-0.005	0.000	0.000	0.000	0.000
189	A	189	HIS	1	0.814	0.896	52.121	-0.001	-0.001	0.000	0.000	0.000	0.000
190	A	190	VAL	0	0.043	0.052	52.339	0.001	0.001	0.000	0.000	0.000	0.000
191	A	191	LYS	1	0.846	0.917	53.274	-0.004	-0.004	0.000	0.000	0.000	0.000
192	A	192	THR	0	0.001	0.006	53.737	0.001	0.001	0.000	0.000	0.000	0.000
193	A	193	TYR	0	-0.070	-0.048	51.416	-0.002	-0.002	0.000	0.000	0.000	0.000
194	A	194	GLU	-1	-0.906	-0.943	54.231	0.011	0.011	0.000	0.000	0.000	0.000
195	A	195	VAL	0	-0.001	-0.012	50.103	-0.001	-0.001	0.000	0.000	0.000	0.000
196	A	196	SER	0	0.020	0.027	53.307	0.001	0.001	0.000	0.000	0.000	0.000
197	A	197	LEU	0	0.034	-0.015	50.454	0.000	0.000	0.000	0.000	0.000	0.000
198	A	198	ARG	1	0.744	0.878	52.822	-0.014	-0.014	0.000	0.000	0.000	0.000
199	A	199	GLU	-1	-0.863	-0.933	55.202	0.004	0.004	0.000	0.000	0.000	0.000
200	A	200	LYS	1	0.836	0.925	47.732	-0.011	-0.011	0.000	0.000	0.000	0.000
201	A	201	GLU	-1	-0.792	-0.913	51.114	0.003	0.003	0.000	0.000	0.000	0.000
202	A	202	PHE	0	-0.005	0.002	48.446	0.002	0.002	0.000	0.000	0.000	0.000
203	A	203	ASN	0	-0.043	-0.021	53.854	0.000	0.000	0.000	0.000	0.000	0.000
204	A	204	LYS	1	0.939	0.948	56.882	-0.003	-0.003	0.000	0.000	0.000	0.000
205	A	205	GLY	0	0.057	0.039	57.885	0.001	0.001	0.000	0.000	0.000	0.000
206	A	206	PRO	0	0.008	0.019	57.903	-0.001	-0.001	0.000	0.000	0.000	0.000
207	A	207	TRP	0	0.007	0.001	56.996	0.000	0.000	0.000	0.000	0.000	0.000
208	A	208	LYS	1	0.907	0.954	59.776	-0.004	-0.004	0.000	0.000	0.000	0.000
209	A	209	GLN	0	0.068	0.044	56.708	0.000	0.000	0.000	0.000	0.000	0.000
210	A	210	GLU	-1	-0.919	-0.931	57.748	0.006	0.006	0.000	0.000	0.000	0.000
211	A	211	ASN	0	-0.021	-0.019	57.090	0.000	0.000	0.000	0.000	0.000	0.000
212	A	212	VAL	0	0.005	0.006	52.748	0.001	0.001	0.000	0.000	0.000	0.000
213	A	213	GLU	-1	-0.730	-0.821	51.965	0.007	0.007	0.000	0.000	0.000	0.000
214	A	214	ALA	0	-0.007	-0.019	52.043	0.000	0.000	0.000	0.000	0.000	0.000
215	A	215	GLU	-1	-0.850	-0.937	46.044	0.007	0.007	0.000	0.000	0.000	0.000
216	A	216	ALA	0	-0.006	-0.020	48.475	0.001	0.001	0.000	0.000	0.000	0.000
217	A	217	SER	0	0.013	0.013	44.685	0.000	0.000	0.000	0.000	0.000	0.000
218	A	218	MET	0	0.009	0.025	44.320	0.001	0.001	0.000	0.000	0.000	0.000
219	A	219	VAL	0	-0.036	-0.016	47.219	-0.001	-0.001	0.000	0.000	0.000	0.000
220	A	220	ILE	0	0.016	0.005	48.393	0.002	0.002	0.000	0.000	0.000	0.000
221	A	221	ALA	0	-0.020	-0.004	50.761	-0.002	-0.002	0.000	0.000	0.000	0.000
222	A	222	VAL	0	-0.038	-0.036	52.836	0.002	0.002	0.000	0.000	0.000	0.000
223	A	223	PRO	0	-0.053	-0.034	54.758	0.000	0.000	0.000	0.000	0.000	0.000
224	A	224	GLU	-1	-0.896	-0.956	56.899	0.016	0.016	0.000	0.000	0.000	0.000
225	A	225	PRO	0	0.008	0.024	59.967	-0.001	-0.001	0.000	0.000	0.000	0.000
226	A	226	PHE	0	-0.013	-0.003	60.288	0.000	0.000	0.000	0.000	0.000	0.000
227	A	227	GLY	0	0.044	0.027	59.513	-0.001	-0.001	0.000	0.000	0.000	0.000
228	A	228	GLY	0	0.015	-0.001	58.451	0.000	0.000	0.000	0.000	0.000	0.000
229	A	229	ALA	0	-0.011	-0.013	53.890	0.001	0.001	0.000	0.000	0.000	0.000
230	A	230	ILE	0	0.039	0.018	53.083	-0.001	-0.001	0.000	0.000	0.000	0.000
231	A	231	ILE	0	-0.097	-0.050	51.324	0.001	0.001	0.000	0.000	0.000	0.000
232	A	232	ILE	0	0.029	0.008	49.059	-0.001	-0.001	0.000	0.000	0.000	0.000
233	A	233	GLY	0	0.006	0.001	49.583	0.000	0.000	0.000	0.000	0.000	0.000
234	A	234	GLN	0	-0.014	-0.001	47.157	0.001	0.001	0.000	0.000	0.000	0.000
235	A	235	GLU	-1	-0.878	-0.927	50.021	0.005	0.005	0.000	0.000	0.000	0.000
236	A	236	SER	0	-0.132	-0.103	53.721	0.000	0.000	0.000	0.000	0.000	0.000
237	A	237	ILE	0	0.052	0.027	53.587	0.001	0.001	0.000	0.000	0.000	0.000
238	A	238	THR	0	-0.011	0.001	55.675	-0.001	-0.001	0.000	0.000	0.000	0.000
239	A	239	TYR	0	-0.041	-0.029	56.619	0.001	0.001	0.000	0.000	0.000	0.000
240	A	240	HIS	1	0.796	0.854	57.153	-0.010	-0.010	0.000	0.000	0.000	0.000
241	A	241	ASN	0	0.054	0.032	58.938	0.000	0.000	0.000	0.000	0.000	0.000
242	A	242	GLY	0	-0.019	-0.007	61.455	0.000	0.000	0.000	0.000	0.000	0.000
243	A	243	ASP	-1	-0.895	-0.960	63.068	0.008	0.008	0.000	0.000	0.000	0.000
244	A	244	LYS	1	0.849	0.942	65.019	-0.010	-0.010	0.000	0.000	0.000	0.000
245	A	245	TYR	0	-0.046	-0.032	60.180	0.000	0.000	0.000	0.000	0.000	0.000
246	A	246	LEU	0	0.010	0.028	62.200	0.000	0.000	0.000	0.000	0.000	0.000
247	A	247	ALA	0	-0.009	-0.011	60.333	0.000	0.000	0.000	0.000	0.000	0.000
248	A	248	ILE	0	0.004	0.021	58.440	0.000	0.000	0.000	0.000	0.000	0.000
249	A	249	ALA	0	0.022	-0.005	57.934	0.000	0.000	0.000	0.000	0.000	0.000
250	A	250	PRO	0	-0.018	-0.003	56.392	-0.001	-0.001	0.000	0.000	0.000	0.000
251	A	251	PRO	0	0.041	0.012	56.620	0.000	0.000	0.000	0.000	0.000	0.000
252	A	252	ILE	0	-0.003	-0.013	54.058	0.000	0.000	0.000	0.000	0.000	0.000
253	A	253	ILE	0	0.011	-0.003	51.669	0.001	0.001	0.000	0.000	0.000	0.000
254	A	254	LYS	1	0.839	0.932	51.034	-0.006	-0.006	0.000	0.000	0.000	0.000
255	A	255	GLN	0	-0.029	0.011	49.518	0.001	0.001	0.000	0.000	0.000	0.000
256	A	256	SER	0	0.058	0.053	44.770	0.000	0.000	0.000	0.000	0.000	0.000
257	A	257	THR	0	0.027	0.008	43.649	-0.001	-0.001	0.000	0.000	0.000	0.000
258	A	258	ILE	0	-0.046	-0.032	44.696	0.002	0.002	0.000	0.000	0.000	0.000
259	A	259	VAL	0	0.038	0.010	40.481	-0.001	-0.001	0.000	0.000	0.000	0.000
260	A	260	CYS	0	-0.064	-0.006	41.715	0.002	0.002	0.000	0.000	0.000	0.000
261	A	261	HIS	0	-0.001	-0.011	43.808	-0.002	-0.002	0.000	0.000	0.000	0.000
262	A	262	ASN	0	0.012	0.009	45.757	0.002	0.002	0.000	0.000	0.000	0.000
263	A	263	ARG	1	0.880	0.975	47.983	-0.028	-0.028	0.000	0.000	0.000	0.000
264	A	264	VAL	0	-0.014	-0.001	50.660	0.001	0.001	0.000	0.000	0.000	0.000
265	A	265	ASP	-1	-0.827	-0.898	52.766	0.025	0.025	0.000	0.000	0.000	0.000
266	A	266	PRO	0	0.037	0.008	54.879	0.000	0.000	0.000	0.000	0.000	0.000
267	A	267	ASN	0	0.001	-0.028	55.913	0.000	0.000	0.000	0.000	0.000	0.000
268	A	268	GLY	0	0.046	0.006	55.918	-0.001	-0.001	0.000	0.000	0.000	0.000
269	A	269	SER	0	-0.046	-0.025	56.924	-0.001	-0.001	0.000	0.000	0.000	0.000
270	A	270	ARG	1	0.897	0.942	55.765	-0.025	-0.025	0.000	0.000	0.000	0.000
271	A	271	TYR	0	0.002	-0.001	50.940	0.001	0.001	0.000	0.000	0.000	0.000
272	A	272	LEU	0	0.015	0.011	48.178	-0.001	-0.001	0.000	0.000	0.000	0.000
273	A	273	LEU	0	-0.018	-0.019	48.035	0.000	0.000	0.000	0.000	0.000	0.000
274	A	274	GLY	0	0.076	0.029	45.051	0.001	0.001	0.000	0.000	0.000	0.000
275	A	275	ASP	-1	-0.751	-0.877	44.287	0.020	0.020	0.000	0.000	0.000	0.000
276	A	276	MET	0	0.019	0.006	39.372	0.002	0.002	0.000	0.000	0.000	0.000
277	A	277	GLU	-1	-0.920	-0.970	41.082	0.014	0.014	0.000	0.000	0.000	0.000
278	A	278	GLY	0	-0.040	-0.019	43.013	0.000	0.000	0.000	0.000	0.000	0.000
279	A	279	ARG	1	0.793	0.900	43.766	-0.014	-0.014	0.000	0.000	0.000	0.000
280	A	280	LEU	0	0.009	0.014	46.603	0.000	0.000	0.000	0.000	0.000	0.000
281	A	281	PHE	0	-0.050	-0.038	48.467	-0.002	-0.002	0.000	0.000	0.000	0.000
282	A	282	MET	0	0.004	0.001	51.486	0.002	0.002	0.000	0.000	0.000	0.000
283	A	283	LEU	0	0.005	0.011	54.046	-0.001	-0.001	0.000	0.000	0.000	0.000
284	A	284	LEU	0	-0.033	-0.025	55.695	0.001	0.001	0.000	0.000	0.000	0.000
285	A	285	LEU	0	-0.018	-0.003	57.581	-0.001	-0.001	0.000	0.000	0.000	0.000
286	A	286	GLU	-1	-0.890	-0.923	61.259	0.013	0.013	0.000	0.000	0.000	0.000
287	A	287	LYS	1	0.930	0.963	63.670	-0.018	-0.018	0.000	0.000	0.000	0.000
288	A	288	GLU	-1	-0.932	-0.973	67.189	0.011	0.011	0.000	0.000	0.000	0.000
289	A	289	GLU	-1	-0.860	-0.942	70.741	0.012	0.012	0.000	0.000	0.000	0.000
290	A	290	GLN	0	-0.127	-0.041	70.417	0.000	0.000	0.000	0.000	0.000	0.000
291	A	291	MET	0	0.038	0.036	71.053	0.000	0.000	0.000	0.000	0.000	0.000
292	A	292	ASP	-1	-0.842	-0.933	69.652	0.010	0.010	0.000	0.000	0.000	0.000
293	A	293	GLY	0	-0.001	0.022	68.707	0.000	0.000	0.000	0.000	0.000	0.000
294	A	294	THR	0	-0.038	-0.037	69.702	0.001	0.001	0.000	0.000	0.000	0.000
295	A	295	VAL	0	-0.041	-0.009	66.337	0.000	0.000	0.000	0.000	0.000	0.000
296	A	296	THR	0	-0.068	-0.056	66.120	0.000	0.000	0.000	0.000	0.000	0.000
297	A	297	LEU	0	0.034	0.004	60.985	0.000	0.000	0.000	0.000	0.000	0.000
298	A	298	LYS	1	0.791	0.901	65.006	-0.012	-0.012	0.000	0.000	0.000	0.000
299	A	299	ASP	-1	-0.866	-0.962	64.383	0.010	0.010	0.000	0.000	0.000	0.000
300	A	300	LEU	0	-0.026	-0.012	58.990	0.001	0.001	0.000	0.000	0.000	0.000
301	A	301	ARG	1	0.919	0.960	59.959	-0.016	-0.016	0.000	0.000	0.000	0.000
302	A	302	VAL	0	0.004	-0.007	54.565	0.001	0.001	0.000	0.000	0.000	0.000
303	A	303	GLU	-1	-0.938	-0.956	56.430	0.017	0.017	0.000	0.000	0.000	0.000
304	A	304	LEU	0	0.001	0.008	51.800	0.001	0.001	0.000	0.000	0.000	0.000
305	A	305	LEU	0	-0.018	-0.021	51.639	0.000	0.000	0.000	0.000	0.000	0.000
306	A	306	GLY	0	0.008	-0.032	50.759	0.001	0.001	0.000	0.000	0.000	0.000
307	A	307	GLU	-1	-0.936	-0.970	45.327	0.023	0.023	0.000	0.000	0.000	0.000
308	A	308	THR	0	-0.027	-0.012	43.144	0.001	0.001	0.000	0.000	0.000	0.000
309	A	309	SER	0	-0.068	-0.109	38.322	-0.002	-0.002	0.000	0.000	0.000	0.000
310	A	310	ILE	0	-0.039	-0.014	37.449	0.000	0.000	0.000	0.000	0.000	0.000
311	A	311	ALA	0	0.002	0.008	38.308	0.003	0.003	0.000	0.000	0.000	0.000
312	A	312	GLU	-1	-0.934	-0.953	34.780	0.041	0.041	0.000	0.000	0.000	0.000
313	A	313	CYS	0	-0.069	-0.004	37.311	-0.001	-0.001	0.000	0.000	0.000	0.000
314	A	314	LEU	0	0.047	0.004	40.086	0.002	0.002	0.000	0.000	0.000	0.000
315	A	315	THR	0	-0.049	-0.027	42.698	-0.001	-0.001	0.000	0.000	0.000	0.000
316	A	316	TYR	0	0.034	0.027	45.084	0.001	0.001	0.000	0.000	0.000	0.000
317	A	317	LEU	0	-0.045	-0.015	44.434	0.001	0.001	0.000	0.000	0.000	0.000
318	A	318	ASP	-1	-0.799	-0.916	48.293	0.033	0.033	0.000	0.000	0.000	0.000
319	A	319	ASN	0	-0.073	-0.035	51.611	-0.001	-0.001	0.000	0.000	0.000	0.000
320	A	320	GLY	0	-0.036	-0.036	53.051	0.000	0.000	0.000	0.000	0.000	0.000
321	A	321	VAL	0	0.033	0.024	46.862	0.000	0.000	0.000	0.000	0.000	0.000
322	A	322	VAL	0	-0.017	-0.013	45.551	0.000	0.000	0.000	0.000	0.000	0.000
323	A	323	PHE	0	0.036	0.031	37.103	0.001	0.001	0.000	0.000	0.000	0.000
324	A	324	VAL	0	-0.019	-0.018	39.844	-0.002	-0.002	0.000	0.000	0.000	0.000
325	A	325	GLY	0	0.062	0.014	37.162	0.004	0.004	0.000	0.000	0.000	0.000
326	A	326	SER	0	-0.005	-0.013	35.787	-0.003	-0.003	0.000	0.000	0.000	0.000
327	A	327	ARG	1	0.913	0.938	28.306	-0.058	-0.058	0.000	0.000	0.000	0.000
328	A	328	LEU	0	0.025	-0.006	31.358	0.003	0.003	0.000	0.000	0.000	0.000
329	A	329	GLY	0	0.058	0.015	33.383	-0.002	-0.002	0.000	0.000	0.000	0.000
330	A	330	ASP	-1	-0.782	-0.871	34.145	0.063	0.063	0.000	0.000	0.000	0.000
331	A	331	SER	0	0.001	0.047	34.852	-0.003	-0.003	0.000	0.000	0.000	0.000
332	A	332	GLN	0	0.053	0.042	37.052	0.000	0.000	0.000	0.000	0.000	0.000
333	A	333	LEU	0	0.024	0.036	40.542	0.000	0.000	0.000	0.000	0.000	0.000
334	A	334	VAL	0	-0.037	-0.027	43.320	-0.001	-0.001	0.000	0.000	0.000	0.000
335	A	335	LYS	1	0.952	0.985	46.497	-0.032	-0.032	0.000	0.000	0.000	0.000
336	A	336	LEU	0	-0.037	-0.018	49.855	-0.001	-0.001	0.000	0.000	0.000	0.000
337	A	337	ASN	0	-0.064	-0.018	52.825	0.000	0.000	0.000	0.000	0.000	0.000
338	A	345	SER	0	-0.034	-0.026	56.301	0.000	0.000	0.000	0.000	0.000	0.000
339	A	346	TYR	0	0.030	0.008	52.875	-0.001	-0.001	0.000	0.000	0.000	0.000
340	A	347	VAL	0	0.000	0.027	48.190	0.000	0.000	0.000	0.000	0.000	0.000
341	A	348	VAL	0	0.004	0.002	48.977	0.000	0.000	0.000	0.000	0.000	0.000
342	A	349	ALA	0	-0.005	-0.006	43.766	0.001	0.001	0.000	0.000	0.000	0.000
343	A	350	MET	0	-0.069	-0.027	45.648	0.000	0.000	0.000	0.000	0.000	0.000
344	A	351	GLU	-1	-0.881	-0.943	40.542	0.058	0.058	0.000	0.000	0.000	0.000
345	A	352	THR	0	-0.018	-0.016	37.443	-0.003	-0.003	0.000	0.000	0.000	0.000
346	A	353	PHE	0	-0.042	-0.028	35.102	0.003	0.003	0.000	0.000	0.000	0.000
347	A	354	THR	0	0.016	-0.006	30.803	-0.003	-0.003	0.000	0.000	0.000	0.000
348	A	355	ASN	0	-0.001	0.005	29.671	0.013	0.013	0.000	0.000	0.000	0.000
349	A	356	LEU	0	-0.061	-0.018	24.886	-0.006	-0.006	0.000	0.000	0.000	0.000
350	A	357	GLY	0	0.039	0.025	27.469	0.004	0.004	0.000	0.000	0.000	0.000
351	A	358	PRO	0	-0.019	0.009	26.493	0.005	0.005	0.000	0.000	0.000	0.000
352	A	359	ILE	0	-0.041	0.002	21.959	-0.005	-0.005	0.000	0.000	0.000	0.000
353	A	360	VAL	0	-0.061	-0.033	23.271	0.002	0.002	0.000	0.000	0.000	0.000
354	A	361	ASP	-1	-0.791	-0.908	21.895	-0.011	-0.011	0.000	0.000	0.000	0.000
355	A	362	MET	0	-0.066	-0.017	17.186	0.013	0.013	0.000	0.000	0.000	0.000
356	A	363	CYS	0	-0.019	0.016	20.145	-0.012	-0.012	0.000	0.000	0.000	0.000
357	A	364	VAL	0	0.042	0.015	17.298	0.016	0.016	0.000	0.000	0.000	0.000
358	A	365	VAL	0	-0.043	-0.009	20.226	-0.017	-0.017	0.000	0.000	0.000	0.000
359	A	366	ASP	-1	-0.800	-0.904	21.744	0.084	0.084	0.000	0.000	0.000	0.000
360	A	367	LEU	0	0.023	0.015	23.555	-0.009	-0.009	0.000	0.000	0.000	0.000
361	A	368	GLU	-1	-0.902	-0.973	26.985	0.082	0.082	0.000	0.000	0.000	0.000
362	A	369	ARG	1	0.789	0.895	24.354	-0.031	-0.031	0.000	0.000	0.000	0.000
363	A	370	GLN	0	-0.039	-0.025	25.349	0.018	0.018	0.000	0.000	0.000	0.000
364	A	371	GLY	0	0.028	0.008	22.065	-0.004	-0.004	0.000	0.000	0.000	0.000
365	A	372	GLN	0	0.000	0.017	20.446	0.020	0.020	0.000	0.000	0.000	0.000
366	A	373	GLY	0	0.022	0.023	19.931	-0.018	-0.018	0.000	0.000	0.000	0.000
367	A	374	GLN	0	-0.023	-0.034	20.921	0.014	0.014	0.000	0.000	0.000	0.000
368	A	375	LEU	0	0.015	0.003	19.244	-0.013	-0.013	0.000	0.000	0.000	0.000
369	A	376	VAL	0	-0.014	0.008	22.723	0.003	0.003	0.000	0.000	0.000	0.000
370	A	377	THR	0	-0.010	-0.013	23.039	-0.007	-0.007	0.000	0.000	0.000	0.000
371	A	378	CYS	0	-0.016	-0.007	25.385	-0.004	-0.004	0.000	0.000	0.000	0.000
372	A	379	SER	0	-0.006	-0.017	26.749	0.006	0.006	0.000	0.000	0.000	0.000
373	A	380	GLY	0	0.041	0.009	28.868	-0.003	-0.003	0.000	0.000	0.000	0.000
374	A	381	ALA	0	-0.032	-0.033	31.170	-0.004	-0.004	0.000	0.000	0.000	0.000
375	A	382	PHE	0	0.051	0.015	33.777	0.002	0.002	0.000	0.000	0.000	0.000
376	A	383	LYS	1	0.831	0.920	37.358	-0.030	-0.030	0.000	0.000	0.000	0.000
377	A	384	GLU	-1	-0.780	-0.890	35.389	0.037	0.037	0.000	0.000	0.000	0.000
378	A	385	GLY	0	-0.055	-0.004	33.402	0.003	0.003	0.000	0.000	0.000	0.000
379	A	386	SER	0	-0.019	-0.013	32.262	0.002	0.002	0.000	0.000	0.000	0.000
380	A	387	LEU	0	0.051	0.029	29.231	-0.001	-0.001	0.000	0.000	0.000	0.000
381	A	388	ARG	1	0.859	0.930	27.569	-0.057	-0.057	0.000	0.000	0.000	0.000
382	A	389	ILE	0	-0.013	-0.014	27.209	-0.001	-0.001	0.000	0.000	0.000	0.000
383	A	390	ILE	0	0.019	0.009	23.655	0.003	0.003	0.000	0.000	0.000	0.000
384	A	391	ARG	1	0.909	0.967	24.179	-0.092	-0.092	0.000	0.000	0.000	0.000
385	A	392	ASN	0	0.034	0.001	21.119	-0.005	-0.005	0.000	0.000	0.000	0.000
386	A	393	GLY	0	-0.045	-0.020	25.013	-0.010	-0.010	0.000	0.000	0.000	0.000
387	A	394	ILE	0	0.038	0.034	28.309	0.008	0.008	0.000	0.000	0.000	0.000
388	A	395	GLY	0	0.003	-0.004	30.593	-0.009	-0.009	0.000	0.000	0.000	0.000
389	A	396	ILE	0	-0.014	-0.014	33.209	0.003	0.003	0.000	0.000	0.000	0.000
390	A	397	HIS	0	-0.048	-0.019	34.789	-0.006	-0.006	0.000	0.000	0.000	0.000
391	A	398	GLU	-1	-0.859	-0.936	38.931	0.067	0.067	0.000	0.000	0.000	0.000
392	A	399	HIS	0	-0.057	-0.028	41.820	0.002	0.002	0.000	0.000	0.000	0.000
393	A	400	ALA	0	0.042	0.024	44.920	-0.002	-0.002	0.000	0.000	0.000	0.000
394	A	401	SER	0	-0.004	-0.035	46.488	0.001	0.001	0.000	0.000	0.000	0.000
395	A	402	ILE	0	-0.026	0.034	48.335	-0.001	-0.001	0.000	0.000	0.000	0.000
396	A	403	ASP	-1	-0.935	-0.971	51.760	0.046	0.046	0.000	0.000	0.000	0.000
397	A	404	LEU	0	-0.023	-0.021	52.910	-0.002	-0.002	0.000	0.000	0.000	0.000
398	A	405	PRO	0	0.027	0.021	53.457	0.000	0.000	0.000	0.000	0.000	0.000
399	A	406	GLY	0	-0.042	-0.028	53.712	-0.001	-0.001	0.000	0.000	0.000	0.000
400	A	407	ILE	0	-0.036	0.003	51.183	-0.001	-0.001	0.000	0.000	0.000	0.000
401	A	408	LYS	1	0.906	0.941	52.341	-0.033	-0.033	0.000	0.000	0.000	0.000
402	A	409	GLY	0	-0.016	-0.003	51.645	0.000	0.000	0.000	0.000	0.000	0.000
403	A	410	LEU	0	0.031	0.013	48.438	0.000	0.000	0.000	0.000	0.000	0.000
404	A	411	TRP	0	-0.017	-0.024	51.174	0.001	0.001	0.000	0.000	0.000	0.000
405	A	412	PRO	0	0.068	0.056	49.142	-0.001	-0.001	0.000	0.000	0.000	0.000
406	A	413	LEU	0	-0.039	-0.018	52.105	-0.002	-0.002	0.000	0.000	0.000	0.000
407	A	414	ARG	1	0.883	0.939	52.219	-0.054	-0.054	0.000	0.000	0.000	0.000
408	A	415	SER	0	-0.095	-0.073	56.222	-0.002	-0.002	0.000	0.000	0.000	0.000
409	A	416	ASP	-1	-0.802	-0.902	59.559	0.042	0.042	0.000	0.000	0.000	0.000
410	A	417	PRO	0	-0.038	-0.005	59.072	0.002	0.002	0.000	0.000	0.000	0.000
411	A	418	ASN	0	-0.093	-0.056	59.307	0.000	0.000	0.000	0.000	0.000	0.000
412	A	419	ARG	1	0.877	0.938	56.281	-0.044	-0.044	0.000	0.000	0.000	0.000
413	A	420	GLU	-1	-0.854	-0.917	51.842	0.055	0.055	0.000	0.000	0.000	0.000
414	A	421	THR	0	-0.090	-0.035	51.260	0.003	0.003	0.000	0.000	0.000	0.000
415	A	422	ASP	-1	-0.877	-0.949	49.666	0.056	0.056	0.000	0.000	0.000	0.000
416	A	423	ASP	-1	-0.803	-0.873	52.408	0.047	0.047	0.000	0.000	0.000	0.000
417	A	424	THR	0	-0.006	0.000	54.939	-0.002	-0.002	0.000	0.000	0.000	0.000
418	A	425	LEU	0	0.012	0.010	50.650	0.001	0.001	0.000	0.000	0.000	0.000
419	A	426	VAL	0	0.016	0.004	54.359	-0.002	-0.002	0.000	0.000	0.000	0.000
420	A	427	LEU	0	0.021	0.007	52.883	0.001	0.001	0.000	0.000	0.000	0.000
421	A	428	SER	0	-0.036	0.012	55.687	-0.002	-0.002	0.000	0.000	0.000	0.000
422	A	429	PHE	0	0.049	0.005	56.312	0.001	0.001	0.000	0.000	0.000	0.000
423	A	430	VAL	0	-0.004	-0.018	58.183	0.000	0.000	0.000	0.000	0.000	0.000
424	A	431	GLY	0	-0.034	-0.017	60.732	-0.001	-0.001	0.000	0.000	0.000	0.000
425	A	432	GLN	0	-0.023	-0.001	62.001	-0.001	-0.001	0.000	0.000	0.000	0.000
426	A	433	THR	0	-0.030	-0.028	59.281	0.001	0.001	0.000	0.000	0.000	0.000
427	A	434	ARG	1	0.927	0.988	59.083	-0.036	-0.036	0.000	0.000	0.000	0.000
428	A	435	VAL	0	0.012	0.002	58.839	0.001	0.001	0.000	0.000	0.000	0.000
429	A	436	LEU	0	0.013	0.005	55.015	-0.001	-0.001	0.000	0.000	0.000	0.000
430	A	437	MET	0	-0.023	-0.017	57.413	0.000	0.000	0.000	0.000	0.000	0.000
431	A	438	LEU	0	-0.056	-0.023	52.387	0.001	0.001	0.000	0.000	0.000	0.000
432	A	439	ASN	0	-0.030	0.000	55.228	0.001	0.001	0.000	0.000	0.000	0.000
433	A	440	GLY	0	0.049	0.020	53.105	0.000	0.000	0.000	0.000	0.000	0.000
434	A	441	GLU	-1	-0.947	-0.980	49.264	0.065	0.065	0.000	0.000	0.000	0.000
435	A	442	GLU	-1	-0.942	-0.947	51.822	0.048	0.048	0.000	0.000	0.000	0.000
436	A	443	VAL	0	-0.025	-0.021	52.612	0.000	0.000	0.000	0.000	0.000	0.000
437	A	444	GLU	-1	-0.931	-0.969	55.713	0.040	0.040	0.000	0.000	0.000	0.000
438	A	445	GLU	-1	-0.935	-0.985	59.175	0.038	0.038	0.000	0.000	0.000	0.000
439	A	446	THR	0	-0.010	-0.006	60.809	-0.001	-0.001	0.000	0.000	0.000	0.000
440	A	447	GLU	-1	-0.919	-0.932	63.300	0.032	0.032	0.000	0.000	0.000	0.000
441	A	448	LEU	0	-0.014	-0.028	61.312	0.001	0.001	0.000	0.000	0.000	0.000
442	A	449	MET	0	0.002	0.002	65.112	-0.001	-0.001	0.000	0.000	0.000	0.000
443	A	450	GLY	0	-0.001	-0.020	66.640	0.001	0.001	0.000	0.000	0.000	0.000
444	A	451	PHE	0	-0.023	-0.029	60.285	0.000	0.000	0.000	0.000	0.000	0.000
445	A	452	VAL	0	-0.049	-0.005	65.501	0.000	0.000	0.000	0.000	0.000	0.000
446	A	453	ASP	-1	-0.795	-0.895	64.710	0.030	0.030	0.000	0.000	0.000	0.000
447	A	454	ASP	-1	-0.914	-0.965	65.317	0.027	0.027	0.000	0.000	0.000	0.000
448	A	455	GLN	0	-0.037	-0.024	65.274	-0.001	-0.001	0.000	0.000	0.000	0.000
449	A	456	GLN	0	-0.058	0.001	58.247	0.002	0.002	0.000	0.000	0.000	0.000
450	A	457	THR	0	0.009	-0.027	57.653	-0.001	-0.001	0.000	0.000	0.000	0.000
451	A	458	PHE	0	-0.015	-0.009	57.207	0.001	0.001	0.000	0.000	0.000	0.000
452	A	459	PHE	0	0.032	-0.006	52.386	0.001	0.001	0.000	0.000	0.000	0.000
453	A	460	CYS	0	-0.045	0.004	55.714	-0.002	-0.002	0.000	0.000	0.000	0.000
454	A	461	GLY	0	0.107	0.041	55.174	0.002	0.002	0.000	0.000	0.000	0.000
455	A	462	ASN	0	-0.046	-0.023	55.473	-0.001	-0.001	0.000	0.000	0.000	0.000
456	A	463	VAL	0	-0.040	-0.008	56.342	0.000	0.000	0.000	0.000	0.000	0.000
457	A	464	ALA	0	0.005	-0.002	58.578	0.000	0.000	0.000	0.000	0.000	0.000
458	A	465	HIS	0	-0.080	-0.043	60.323	-0.001	-0.001	0.000	0.000	0.000	0.000
459	A	466	GLN	0	0.021	0.027	61.328	-0.001	-0.001	0.000	0.000	0.000	0.000
460	A	467	GLN	0	-0.009	-0.019	61.703	-0.002	-0.002	0.000	0.000	0.000	0.000
461	A	468	LEU	0	0.009	-0.001	60.011	0.001	0.001	0.000	0.000	0.000	0.000
462	A	469	ILE	0	-0.008	0.002	59.087	-0.002	-0.002	0.000	0.000	0.000	0.000
463	A	470	GLN	0	0.046	0.013	59.930	0.001	0.001	0.000	0.000	0.000	0.000
464	A	471	ILE	0	-0.043	-0.031	58.439	-0.002	-0.002	0.000	0.000	0.000	0.000
465	A	472	THR	0	-0.001	0.002	60.804	0.000	0.000	0.000	0.000	0.000	0.000
466	A	473	SER	0	0.066	0.035	62.804	0.000	0.000	0.000	0.000	0.000	0.000
467	A	474	ALA	0	-0.028	0.019	64.041	-0.001	-0.001	0.000	0.000	0.000	0.000
468	A	475	SER	0	0.011	0.002	66.561	-0.001	-0.001	0.000	0.000	0.000	0.000
469	A	476	VAL	0	0.033	0.019	62.620	0.001	0.001	0.000	0.000	0.000	0.000
470	A	477	ARG	1	0.882	0.941	64.712	-0.030	-0.030	0.000	0.000	0.000	0.000
471	A	478	LEU	0	0.002	0.011	63.818	0.001	0.001	0.000	0.000	0.000	0.000
472	A	479	VAL	0	0.005	-0.006	64.658	-0.001	-0.001	0.000	0.000	0.000	0.000
473	A	480	SER	0	0.004	0.016	64.990	0.001	0.001	0.000	0.000	0.000	0.000
474	A	481	GLN	0	-0.041	-0.027	60.375	0.000	0.000	0.000	0.000	0.000	0.000
475	A	482	GLU	-1	-0.860	-0.932	65.452	0.037	0.037	0.000	0.000	0.000	0.000
476	A	483	PRO	0	-0.060	-0.021	67.591	0.000	0.000	0.000	0.000	0.000	0.000
477	A	484	LYS	1	0.895	0.950	64.583	-0.035	-0.035	0.000	0.000	0.000	0.000
478	A	485	ALA	0	-0.011	-0.017	68.517	-0.001	-0.001	0.000	0.000	0.000	0.000
479	A	486	LEU	0	0.046	-0.003	68.399	0.001	0.001	0.000	0.000	0.000	0.000
480	A	487	VAL	0	-0.074	0.003	68.236	-0.001	-0.001	0.000	0.000	0.000	0.000
481	A	488	SER	0	-0.029	-0.012	68.969	-0.001	-0.001	0.000	0.000	0.000	0.000
482	A	489	GLU	-1	-0.889	-0.968	68.820	0.026	0.026	0.000	0.000	0.000	0.000
483	A	490	TRP	0	-0.042	0.003	65.817	-0.001	-0.001	0.000	0.000	0.000	0.000
484	A	491	LYS	1	0.896	0.949	68.002	-0.023	-0.023	0.000	0.000	0.000	0.000
485	A	492	GLU	-1	-0.751	-0.896	68.348	0.020	0.020	0.000	0.000	0.000	0.000
486	A	493	PRO	0	0.014	0.024	69.990	0.000	0.000	0.000	0.000	0.000	0.000
487	A	494	GLN	0	-0.055	-0.033	72.869	-0.001	-0.001	0.000	0.000	0.000	0.000
488	A	495	ALA	0	-0.046	-0.030	72.353	0.000	0.000	0.000	0.000	0.000	0.000
489	A	496	LYS	1	0.852	0.935	69.124	-0.020	-0.020	0.000	0.000	0.000	0.000
490	A	497	ASN	0	-0.018	-0.030	65.700	0.001	0.001	0.000	0.000	0.000	0.000
491	A	498	ILE	0	-0.036	-0.023	61.322	-0.001	-0.001	0.000	0.000	0.000	0.000
492	A	499	SER	0	-0.052	-0.023	59.983	0.001	0.001	0.000	0.000	0.000	0.000
493	A	500	VAL	0	0.022	0.022	54.869	0.001	0.001	0.000	0.000	0.000	0.000
494	A	501	ALA	0	-0.008	-0.012	56.408	-0.001	-0.001	0.000	0.000	0.000	0.000
495	A	502	SER	0	-0.013	0.002	53.672	0.001	0.001	0.000	0.000	0.000	0.000
496	A	503	CYS	0	-0.032	-0.015	54.389	-0.001	-0.001	0.000	0.000	0.000	0.000
497	A	504	ASN	0	0.073	0.045	52.990	0.001	0.001	0.000	0.000	0.000	0.000
498	A	505	SER	0	0.046	-0.001	54.044	-0.001	-0.001	0.000	0.000	0.000	0.000
499	A	506	SER	0	-0.015	-0.003	55.938	-0.001	-0.001	0.000	0.000	0.000	0.000
500	A	507	GLN	0	0.021	0.002	56.283	0.000	0.000	0.000	0.000	0.000	0.000
501	A	508	VAL	0	0.051	0.011	57.746	0.001	0.001	0.000	0.000	0.000	0.000
502	A	509	VAL	0	0.027	0.016	57.313	-0.002	-0.002	0.000	0.000	0.000	0.000
503	A	510	VAL	0	0.003	0.028	58.139	0.001	0.001	0.000	0.000	0.000	0.000
504	A	511	ALA	0	0.027	0.007	59.236	-0.001	-0.001	0.000	0.000	0.000	0.000
505	A	512	VAL	0	-0.038	-0.015	61.056	0.000	0.000	0.000	0.000	0.000	0.000
506	A	513	GLY	0	0.047	0.020	62.846	-0.001	-0.001	0.000	0.000	0.000	0.000
507	A	514	ARG	1	1.007	0.998	61.280	-0.017	-0.017	0.000	0.000	0.000	0.000
508	A	515	ALA	0	-0.024	0.021	62.449	0.000	0.000	0.000	0.000	0.000	0.000
509	A	516	LEU	0	0.011	0.007	58.651	0.001	0.001	0.000	0.000	0.000	0.000
510	A	517	TYR	0	-0.020	-0.028	62.484	-0.001	-0.001	0.000	0.000	0.000	0.000
511	A	518	TYR	0	0.044	0.034	59.954	0.002	0.002	0.000	0.000	0.000	0.000
512	A	519	LEU	0	-0.012	-0.019	61.829	-0.001	-0.001	0.000	0.000	0.000	0.000
513	A	520	GLN	0	-0.053	-0.019	61.583	0.001	0.001	0.000	0.000	0.000	0.000
514	A	521	ILE	0	0.055	0.031	60.406	-0.001	-0.001	0.000	0.000	0.000	0.000
515	A	522	HIS	0	-0.048	-0.009	63.413	0.000	0.000	0.000	0.000	0.000	0.000
516	A	523	PRO	0	0.033	0.021	66.227	0.000	0.000	0.000	0.000	0.000	0.000
517	A	524	GLN	0	-0.034	-0.032	68.167	-0.001	-0.001	0.000	0.000	0.000	0.000
518	A	525	GLU	-1	-0.827	-0.933	68.484	0.026	0.026	0.000	0.000	0.000	0.000
519	A	526	LEU	0	-0.016	-0.006	64.727	0.001	0.001	0.000	0.000	0.000	0.000
520	A	527	ARG	1	0.861	0.940	65.807	-0.028	-0.028	0.000	0.000	0.000	0.000
521	A	528	GLN	0	0.051	0.030	66.090	0.001	0.001	0.000	0.000	0.000	0.000
522	A	529	ILE	0	-0.110	-0.054	63.908	-0.001	-0.001	0.000	0.000	0.000	0.000
523	A	530	SER	0	-0.027	-0.048	63.162	-0.001	-0.001	0.000	0.000	0.000	0.000
524	A	531	HIS	0	-0.055	-0.038	65.176	0.000	0.000	0.000	0.000	0.000	0.000
525	A	532	THR	0	-0.009	0.005	62.054	-0.001	-0.001	0.000	0.000	0.000	0.000
526	A	533	GLU	-1	-0.929	-0.960	64.555	0.019	0.019	0.000	0.000	0.000	0.000
527	A	534	MET	0	-0.055	-0.032	58.040	0.000	0.000	0.000	0.000	0.000	0.000
528	A	535	GLU	-1	-0.909	-0.968	59.172	0.017	0.017	0.000	0.000	0.000	0.000
529	A	536	HIS	0	-0.044	-0.031	57.396	-0.002	-0.002	0.000	0.000	0.000	0.000
530	A	537	GLU	-1	-0.959	-0.982	59.255	0.022	0.022	0.000	0.000	0.000	0.000
531	A	538	VAL	0	0.011	-0.009	55.891	0.000	0.000	0.000	0.000	0.000	0.000
532	A	539	ALA	0	-0.040	-0.006	52.815	0.000	0.000	0.000	0.000	0.000	0.000
533	A	540	CYS	0	-0.054	-0.014	50.339	0.001	0.001	0.000	0.000	0.000	0.000
534	A	541	LEU	0	0.019	-0.030	52.417	-0.001	-0.001	0.000	0.000	0.000	0.000
535	A	542	ASP	-1	-0.776	-0.826	48.648	0.049	0.049	0.000	0.000	0.000	0.000
536	A	543	ILE	0	-0.034	-0.021	50.962	-0.001	-0.001	0.000	0.000	0.000	0.000
537	A	544	THR	0	-0.071	-0.099	47.757	0.001	0.001	0.000	0.000	0.000	0.000
538	A	545	PRO	0	-0.033	-0.008	48.691	0.000	0.000	0.000	0.000	0.000	0.000
539	A	546	LEU	0	-0.002	0.009	44.235	0.003	0.003	0.000	0.000	0.000	0.000
540	A	547	GLY	0	0.000	-0.002	45.987	-0.002	-0.002	0.000	0.000	0.000	0.000
541	A	548	ASP	-1	-0.847	-0.925	47.010	0.052	0.052	0.000	0.000	0.000	0.000
542	A	549	SER	0	-0.076	-0.034	50.043	-0.002	-0.002	0.000	0.000	0.000	0.000
543	A	550	ASN	0	-0.140	-0.069	52.170	-0.003	-0.003	0.000	0.000	0.000	0.000
544	A	551	GLY	0	0.132	0.081	53.212	0.000	0.000	0.000	0.000	0.000	0.000
545	A	552	LEU	0	-0.127	-0.080	54.180	-0.001	-0.001	0.000	0.000	0.000	0.000
546	A	553	SER	0	0.025	0.010	52.403	0.001	0.001	0.000	0.000	0.000	0.000
547	A	554	PRO	0	0.021	0.006	52.271	-0.002	-0.002	0.000	0.000	0.000	0.000
548	A	555	LEU	0	-0.013	0.000	49.655	-0.002	-0.002	0.000	0.000	0.000	0.000
549	A	556	CYS	0	-0.032	-0.010	53.386	0.001	0.001	0.000	0.000	0.000	0.000
550	A	557	ALA	0	0.033	0.028	49.129	-0.001	-0.001	0.000	0.000	0.000	0.000
551	A	558	ILE	0	0.015	0.019	51.177	0.000	0.000	0.000	0.000	0.000	0.000
552	A	559	GLY	0	0.077	0.027	51.060	0.000	0.000	0.000	0.000	0.000	0.000
553	A	560	LEU	0	-0.080	-0.026	52.013	0.000	0.000	0.000	0.000	0.000	0.000
554	A	561	TRP	0	0.073	0.029	53.193	0.000	0.000	0.000	0.000	0.000	0.000
555	A	562	THR	0	-0.058	-0.045	55.309	-0.001	-0.001	0.000	0.000	0.000	0.000
556	A	563	ASP	-1	-0.778	-0.859	54.475	0.020	0.020	0.000	0.000	0.000	0.000
557	A	564	ILE	0	-0.020	0.029	48.599	0.000	0.000	0.000	0.000	0.000	0.000
558	A	565	SER	0	-0.029	-0.071	50.113	0.000	0.000	0.000	0.000	0.000	0.000
559	A	566	ALA	0	0.025	0.024	47.464	0.001	0.001	0.000	0.000	0.000	0.000
560	A	567	ARG	1	0.802	0.887	49.447	-0.023	-0.023	0.000	0.000	0.000	0.000
561	A	568	ILE	0	0.046	0.035	47.888	0.001	0.001	0.000	0.000	0.000	0.000
562	A	569	LEU	0	0.003	-0.005	51.755	-0.002	-0.002	0.000	0.000	0.000	0.000
563	A	570	LYS	1	0.963	0.990	54.061	-0.030	-0.030	0.000	0.000	0.000	0.000
564	A	571	LEU	0	-0.008	0.014	56.236	-0.001	-0.001	0.000	0.000	0.000	0.000
565	A	572	PRO	0	-0.021	-0.008	58.026	-0.001	-0.001	0.000	0.000	0.000	0.000
566	A	573	SER	0	0.023	0.015	61.111	0.000	0.000	0.000	0.000	0.000	0.000
567	A	574	PHE	0	0.040	0.008	58.293	-0.001	-0.001	0.000	0.000	0.000	0.000
568	A	575	GLU	-1	-0.971	-0.967	58.589	0.022	0.022	0.000	0.000	0.000	0.000
569	A	576	LEU	0	-0.057	-0.040	54.263	0.001	0.001	0.000	0.000	0.000	0.000
570	A	577	LEU	0	-0.040	-0.008	52.824	-0.001	-0.001	0.000	0.000	0.000	0.000
571	A	578	HIS	0	0.015	-0.006	47.236	-0.001	-0.001	0.000	0.000	0.000	0.000
572	A	579	LYS	1	0.892	0.941	51.574	-0.017	-0.017	0.000	0.000	0.000	0.000
573	A	580	GLU	-1	-0.833	-0.904	44.482	0.024	0.024	0.000	0.000	0.000	0.000
574	A	581	MET	0	-0.009	-0.019	48.498	0.001	0.001	0.000	0.000	0.000	0.000
575	A	582	LEU	0	-0.039	-0.022	44.584	0.000	0.000	0.000	0.000	0.000	0.000
576	A	583	GLY	0	-0.019	0.001	45.386	-0.001	-0.001	0.000	0.000	0.000	0.000
577	A	584	GLY	0	0.034	0.013	46.889	0.001	0.001	0.000	0.000	0.000	0.000
578	A	585	GLU	-1	-0.923	-0.967	47.988	0.016	0.016	0.000	0.000	0.000	0.000
579	A	586	ILE	0	-0.031	-0.007	45.601	0.001	0.001	0.000	0.000	0.000	0.000
580	A	587	ILE	0	-0.011	0.006	48.046	0.000	0.000	0.000	0.000	0.000	0.000
581	A	588	PRO	0	-0.005	-0.026	47.568	0.002	0.002	0.000	0.000	0.000	0.000
582	A	589	ARG	1	0.961	0.993	46.747	-0.039	-0.039	0.000	0.000	0.000	0.000
583	A	590	SER	0	0.008	-0.015	45.702	0.000	0.000	0.000	0.000	0.000	0.000
584	A	591	ILE	0	-0.015	0.003	45.933	0.000	0.000	0.000	0.000	0.000	0.000
585	A	592	LEU	0	-0.015	0.005	42.496	0.000	0.000	0.000	0.000	0.000	0.000
586	A	593	MET	0	-0.037	0.004	44.413	-0.001	-0.001	0.000	0.000	0.000	0.000
587	A	594	THR	0	0.019	-0.002	40.228	0.001	0.001	0.000	0.000	0.000	0.000
588	A	595	THR	0	0.003	0.006	39.646	-0.002	-0.002	0.000	0.000	0.000	0.000
589	A	596	PHE	0	0.000	0.009	34.922	0.002	0.002	0.000	0.000	0.000	0.000
590	A	597	GLU	-1	-0.877	-0.952	31.411	0.124	0.124	0.000	0.000	0.000	0.000
591	A	598	SER	0	-0.057	-0.016	35.475	-0.003	-0.003	0.000	0.000	0.000	0.000
592	A	599	SER	0	0.015	-0.009	36.363	-0.007	-0.007	0.000	0.000	0.000	0.000
593	A	600	HIS	0	0.022	-0.001	38.355	-0.001	-0.001	0.000	0.000	0.000	0.000
594	A	601	TYR	0	0.044	0.012	34.268	0.000	0.000	0.000	0.000	0.000	0.000
595	A	602	LEU	0	-0.022	0.002	40.535	-0.001	-0.001	0.000	0.000	0.000	0.000
596	A	603	LEU	0	-0.001	-0.013	38.399	0.000	0.000	0.000	0.000	0.000	0.000
597	A	604	CYS	0	-0.016	-0.011	41.886	-0.002	-0.002	0.000	0.000	0.000	0.000
598	A	605	ALA	0	0.016	0.018	42.006	0.000	0.000	0.000	0.000	0.000	0.000
599	A	606	LEU	0	-0.045	-0.023	43.031	-0.001	-0.001	0.000	0.000	0.000	0.000
600	A	607	GLY	0	0.013	-0.019	44.475	0.002	0.002	0.000	0.000	0.000	0.000
601	A	608	ASP	-1	-0.815	-0.901	42.623	0.032	0.032	0.000	0.000	0.000	0.000
602	A	609	GLY	0	0.061	0.047	39.916	0.001	0.001	0.000	0.000	0.000	0.000
603	A	610	ALA	0	-0.092	-0.048	38.796	0.003	0.003	0.000	0.000	0.000	0.000
604	A	611	LEU	0	-0.001	-0.002	36.862	0.000	0.000	0.000	0.000	0.000	0.000
605	A	612	PHE	0	-0.006	-0.026	37.941	0.000	0.000	0.000	0.000	0.000	0.000
606	A	613	TYR	0	-0.017	-0.022	32.153	0.003	0.003	0.000	0.000	0.000	0.000
607	A	614	PHE	0	-0.039	-0.022	38.333	-0.002	-0.002	0.000	0.000	0.000	0.000
608	A	615	GLY	0	0.060	0.043	39.794	0.004	0.004	0.000	0.000	0.000	0.000
609	A	616	LEU	0	0.013	0.001	40.378	-0.004	-0.004	0.000	0.000	0.000	0.000
610	A	617	ASN	0	0.013	0.039	43.424	0.000	0.000	0.000	0.000	0.000	0.000
611	A	618	ILE	0	0.051	0.016	46.048	-0.002	-0.002	0.000	0.000	0.000	0.000
612	A	619	GLU	-1	-0.939	-0.962	48.385	0.038	0.038	0.000	0.000	0.000	0.000
613	A	620	THR	0	-0.107	-0.095	48.917	-0.002	-0.002	0.000	0.000	0.000	0.000
614	A	621	GLY	0	0.036	0.010	49.076	-0.002	-0.002	0.000	0.000	0.000	0.000
615	A	622	LEU	0	-0.048	-0.032	45.652	-0.001	-0.001	0.000	0.000	0.000	0.000
616	A	623	LEU	0	-0.013	-0.005	44.228	0.003	0.003	0.000	0.000	0.000	0.000
617	A	624	SER	0	-0.042	-0.027	41.520	-0.002	-0.002	0.000	0.000	0.000	0.000
618	A	625	ASP	-1	-0.941	-0.970	35.830	0.045	0.045	0.000	0.000	0.000	0.000
619	A	626	ARG	1	0.900	0.958	38.122	-0.022	-0.022	0.000	0.000	0.000	0.000
620	A	627	LYS	1	0.930	0.974	31.909	-0.057	-0.057	0.000	0.000	0.000	0.000
621	A	628	LYS	1	0.958	0.982	35.673	-0.026	-0.026	0.000	0.000	0.000	0.000
622	A	629	VAL	0	-0.020	0.019	32.282	-0.002	-0.002	0.000	0.000	0.000	0.000
623	A	630	THR	0	0.017	0.007	34.143	-0.001	-0.001	0.000	0.000	0.000	0.000
624	A	631	LEU	0	-0.022	0.003	33.570	0.002	0.002	0.000	0.000	0.000	0.000
625	A	632	GLY	0	-0.039	-0.021	35.491	0.001	0.001	0.000	0.000	0.000	0.000
626	A	633	THR	0	-0.040	-0.094	37.876	-0.002	-0.002	0.000	0.000	0.000	0.000
627	A	634	GLN	0	-0.042	-0.013	40.541	-0.003	-0.003	0.000	0.000	0.000	0.000
628	A	635	PRO	0	-0.015	-0.010	42.926	0.001	0.001	0.000	0.000	0.000	0.000
629	A	636	THR	0	-0.016	0.000	40.289	0.003	0.003	0.000	0.000	0.000	0.000
630	A	637	VAL	0	-0.059	-0.023	43.285	-0.002	-0.002	0.000	0.000	0.000	0.000
631	A	638	LEU	0	-0.026	-0.015	40.393	0.003	0.003	0.000	0.000	0.000	0.000
632	A	639	ARG	1	0.845	0.917	42.763	-0.056	-0.056	0.000	0.000	0.000	0.000
633	A	640	THR	0	0.021	0.002	41.607	0.003	0.003	0.000	0.000	0.000	0.000
634	A	641	PHE	0	-0.001	-0.013	36.801	-0.002	-0.002	0.000	0.000	0.000	0.000
635	A	642	ARG	1	0.894	0.949	39.832	-0.086	-0.086	0.000	0.000	0.000	0.000
636	A	643	SER	0	0.047	0.033	35.559	-0.001	-0.001	0.000	0.000	0.000	0.000
637	A	644	LEU	0	0.041	0.013	35.287	0.006	0.006	0.000	0.000	0.000	0.000
638	A	645	SER	0	-0.044	-0.010	34.483	-0.007	-0.007	0.000	0.000	0.000	0.000
639	A	646	THR	0	0.054	0.019	33.815	-0.004	-0.004	0.000	0.000	0.000	0.000
640	A	647	THR	0	-0.042	-0.023	36.712	-0.002	-0.002	0.000	0.000	0.000	0.000
641	A	648	ASN	0	0.033	0.020	33.675	0.001	0.001	0.000	0.000	0.000	0.000
642	A	649	VAL	0	0.015	0.008	37.082	-0.005	-0.005	0.000	0.000	0.000	0.000
643	A	650	PHE	0	0.026	0.009	37.498	0.003	0.003	0.000	0.000	0.000	0.000
644	A	651	ALA	0	0.004	-0.007	37.936	-0.005	-0.005	0.000	0.000	0.000	0.000
645	A	652	CYS	0	-0.066	-0.016	39.229	0.003	0.003	0.000	0.000	0.000	0.000
646	A	653	SER	0	0.113	0.040	38.811	-0.002	-0.002	0.000	0.000	0.000	0.000
647	A	654	ASP	-1	-0.686	-0.798	39.972	0.049	0.049	0.000	0.000	0.000	0.000
648	A	655	ARG	1	0.857	0.938	31.978	-0.056	-0.056	0.000	0.000	0.000	0.000
649	A	656	PRO	0	0.027	0.030	36.297	0.000	0.000	0.000	0.000	0.000	0.000
650	A	657	THR	0	0.005	-0.001	32.931	0.005	0.005	0.000	0.000	0.000	0.000
651	A	658	VAL	0	-0.036	-0.022	33.298	-0.003	-0.003	0.000	0.000	0.000	0.000
652	A	659	ILE	0	-0.005	0.009	32.616	0.005	0.005	0.000	0.000	0.000	0.000
653	A	660	TYR	0	0.002	-0.008	27.901	-0.001	-0.001	0.000	0.000	0.000	0.000
654	A	661	SER	0	-0.010	0.000	30.951	-0.004	-0.004	0.000	0.000	0.000	0.000
655	A	662	SER	0	0.057	0.033	25.559	0.007	0.007	0.000	0.000	0.000	0.000
656	A	663	ASN	0	-0.014	-0.009	23.351	-0.002	-0.002	0.000	0.000	0.000	0.000
657	A	664	HIS	0	-0.045	-0.020	27.408	-0.013	-0.013	0.000	0.000	0.000	0.000
658	A	665	LYS	1	0.861	0.941	26.796	-0.098	-0.098	0.000	0.000	0.000	0.000
659	A	666	LEU	0	-0.029	-0.018	28.984	0.007	0.007	0.000	0.000	0.000	0.000
660	A	667	VAL	0	-0.025	-0.006	26.799	-0.001	-0.001	0.000	0.000	0.000	0.000
661	A	668	PHE	0	0.008	-0.004	28.946	-0.005	-0.005	0.000	0.000	0.000	0.000
662	A	669	SER	0	0.011	0.006	28.948	0.006	0.006	0.000	0.000	0.000	0.000
663	A	670	ASN	0	0.015	0.010	29.331	-0.011	-0.011	0.000	0.000	0.000	0.000
664	A	671	VAL	0	0.066	0.034	31.102	0.008	0.008	0.000	0.000	0.000	0.000
665	A	672	ASN	0	-0.074	-0.033	29.343	-0.005	-0.005	0.000	0.000	0.000	0.000
666	A	673	LEU	0	0.021	0.017	33.331	-0.003	-0.003	0.000	0.000	0.000	0.000
667	A	674	LYS	1	0.837	0.922	36.687	-0.052	-0.052	0.000	0.000	0.000	0.000
668	A	675	GLU	-1	-0.886	-0.952	39.010	0.045	0.045	0.000	0.000	0.000	0.000
669	A	676	VAL	0	-0.013	0.001	40.470	0.000	0.000	0.000	0.000	0.000	0.000
670	A	677	ASN	0	-0.005	0.002	43.014	0.000	0.000	0.000	0.000	0.000	0.000
671	A	678	TYR	0	-0.004	-0.020	46.237	-0.002	-0.002	0.000	0.000	0.000	0.000
672	A	679	MET	0	0.023	0.021	41.399	0.000	0.000	0.000	0.000	0.000	0.000
673	A	680	CYS	0	-0.086	-0.038	45.648	-0.002	-0.002	0.000	0.000	0.000	0.000
674	A	681	PRO	0	0.004	0.011	43.353	0.001	0.001	0.000	0.000	0.000	0.000
675	A	682	LEU	0	0.031	0.001	45.083	-0.003	-0.003	0.000	0.000	0.000	0.000
676	A	683	ASN	0	-0.016	0.008	45.697	0.003	0.003	0.000	0.000	0.000	0.000
677	A	684	SER	0	0.068	0.032	47.358	-0.001	-0.001	0.000	0.000	0.000	0.000
678	A	685	ASP	-1	-0.932	-0.987	48.983	0.059	0.059	0.000	0.000	0.000	0.000
679	A	686	GLY	0	-0.044	-0.020	49.531	0.001	0.001	0.000	0.000	0.000	0.000
680	A	687	TYR	0	-0.057	-0.027	46.249	0.003	0.003	0.000	0.000	0.000	0.000
681	A	688	PRO	0	0.018	0.044	43.250	-0.002	-0.002	0.000	0.000	0.000	0.000
682	A	689	ASP	-1	-0.930	-1.003	40.238	0.095	0.095	0.000	0.000	0.000	0.000
683	A	690	SER	0	0.005	0.008	41.314	0.004	0.004	0.000	0.000	0.000	0.000
684	A	691	LEU	0	-0.112	-0.057	39.238	-0.002	-0.002	0.000	0.000	0.000	0.000
685	A	692	ALA	0	0.023	0.004	43.244	-0.001	-0.001	0.000	0.000	0.000	0.000
686	A	693	LEU	0	0.011	0.004	40.656	-0.001	-0.001	0.000	0.000	0.000	0.000
687	A	694	ALA	0	0.063	0.038	45.109	-0.001	-0.001	0.000	0.000	0.000	0.000
688	A	695	ASN	0	-0.027	-0.009	45.074	-0.002	-0.002	0.000	0.000	0.000	0.000
689	A	696	ASN	0	-0.006	-0.022	47.088	-0.002	-0.002	0.000	0.000	0.000	0.000
690	A	697	SER	0	-0.057	-0.021	48.356	-0.001	-0.001	0.000	0.000	0.000	0.000
691	A	698	THR	0	0.064	0.026	46.989	-0.001	-0.001	0.000	0.000	0.000	0.000
692	A	699	LEU	0	0.001	0.005	48.396	0.001	0.001	0.000	0.000	0.000	0.000
693	A	700	THR	0	-0.040	-0.018	43.469	-0.001	-0.001	0.000	0.000	0.000	0.000
694	A	701	ILE	0	0.016	-0.003	45.423	0.000	0.000	0.000	0.000	0.000	0.000
695	A	702	GLY	0	0.065	0.027	41.911	0.001	0.001	0.000	0.000	0.000	0.000
696	A	703	THR	0	0.022	0.018	38.248	-0.001	-0.001	0.000	0.000	0.000	0.000
697	A	704	ILE	0	-0.016	-0.007	33.115	-0.001	-0.001	0.000	0.000	0.000	0.000
698	A	705	ASP	-1	-0.836	-0.921	31.735	0.133	0.133	0.000	0.000	0.000	0.000
699	A	706	GLU	-1	-0.977	-0.977	28.270	0.173	0.173	0.000	0.000	0.000	0.000
700	A	707	ILE	0	-0.002	0.000	26.506	0.008	0.008	0.000	0.000	0.000	0.000
701	A	708	GLN	0	0.029	0.005	24.427	-0.009	-0.009	0.000	0.000	0.000	0.000
702	A	709	LYS	1	0.823	0.915	25.273	-0.129	-0.129	0.000	0.000	0.000	0.000
703	A	710	LEU	0	0.021	-0.003	22.044	-0.008	-0.008	0.000	0.000	0.000	0.000
704	A	711	HIS	0	-0.019	-0.008	25.986	-0.004	-0.004	0.000	0.000	0.000	0.000
705	A	712	ILE	0	0.010	-0.006	26.697	0.000	0.000	0.000	0.000	0.000	0.000
706	A	713	ARG	1	0.884	0.955	29.625	-0.065	-0.065	0.000	0.000	0.000	0.000
707	A	714	THR	0	0.032	0.010	31.057	0.002	0.002	0.000	0.000	0.000	0.000
708	A	715	VAL	0	-0.001	0.010	32.808	-0.001	-0.001	0.000	0.000	0.000	0.000
709	A	716	PRO	0	-0.015	-0.012	34.797	-0.002	-0.002	0.000	0.000	0.000	0.000
710	A	717	LEU	0	0.010	-0.008	33.041	-0.003	-0.003	0.000	0.000	0.000	0.000
711	A	718	TYR	0	-0.002	0.013	37.134	-0.003	-0.003	0.000	0.000	0.000	0.000
712	A	719	GLU	-1	-0.789	-0.896	36.461	0.006	0.006	0.000	0.000	0.000	0.000
713	A	720	SER	0	0.009	0.013	33.180	0.005	0.005	0.000	0.000	0.000	0.000
714	A	721	PRO	0	-0.033	0.030	29.795	-0.006	-0.006	0.000	0.000	0.000	0.000
715	A	722	ARG	1	0.877	0.935	28.692	0.003	0.003	0.000	0.000	0.000	0.000
716	A	723	LYS	1	0.926	0.958	23.730	0.014	0.014	0.000	0.000	0.000	0.000
717	A	724	ILE	0	0.026	-0.013	24.473	0.003	0.003	0.000	0.000	0.000	0.000
718	A	725	CYS	0	-0.070	-0.009	24.410	-0.006	-0.006	0.000	0.000	0.000	0.000
719	A	726	TYR	0	0.024	-0.006	24.732	0.003	0.003	0.000	0.000	0.000	0.000
720	A	727	GLN	0	0.031	0.033	26.147	-0.012	-0.012	0.000	0.000	0.000	0.000
721	A	728	GLU	-1	-0.877	-0.951	26.594	0.005	0.005	0.000	0.000	0.000	0.000
722	A	729	VAL	0	-0.012	-0.015	29.072	0.005	0.005	0.000	0.000	0.000	0.000
723	A	730	SER	0	-0.035	-0.022	31.908	0.000	0.000	0.000	0.000	0.000	0.000
724	A	731	GLN	0	-0.066	-0.012	31.924	0.006	0.006	0.000	0.000	0.000	0.000
725	A	732	CYS	0	-0.024	-0.004	31.669	0.002	0.002	0.000	0.000	0.000	0.000
726	A	733	PHE	0	0.036	0.011	26.111	-0.004	-0.004	0.000	0.000	0.000	0.000
727	A	734	GLY	0	0.013	0.019	29.241	0.000	0.000	0.000	0.000	0.000	0.000
728	A	735	VAL	0	0.021	-0.010	29.014	0.001	0.001	0.000	0.000	0.000	0.000
729	A	736	LEU	0	-0.033	0.006	29.143	-0.002	-0.002	0.000	0.000	0.000	0.000
730	A	737	SER	0	-0.016	-0.027	31.450	0.002	0.002	0.000	0.000	0.000	0.000
731	A	738	SER	0	-0.013	-0.002	34.089	-0.003	-0.003	0.000	0.000	0.000	0.000
732	A	739	ARG	1	0.872	0.922	36.229	0.002	0.002	0.000	0.000	0.000	0.000
733	A	740	ILE	0	0.015	-0.003	39.499	-0.002	-0.002	0.000	0.000	0.000	0.000
734	A	741	GLU	-1	-0.878	-0.929	41.767	0.002	0.002	0.000	0.000	0.000	0.000
735	A	742	VAL	0	0.085	0.040	45.355	-0.001	-0.001	0.000	0.000	0.000	0.000
736	A	743	GLN	0	0.021	0.010	48.046	-0.001	-0.001	0.000	0.000	0.000	0.000
737	A	744	ASP	-1	-0.833	-0.904	51.061	0.003	0.003	0.000	0.000	0.000	0.000
738	A	745	THR	0	-0.154	-0.107	54.184	0.000	0.000	0.000	0.000	0.000	0.000
739	A	746	SER	0	-0.050	-0.032	54.006	0.000	0.000	0.000	0.000	0.000	0.000
740	A	747	GLY	0	-0.052	-0.024	53.641	-0.001	-0.001	0.000	0.000	0.000	0.000
741	A	748	GLY	0	-0.067	-0.023	51.432	-0.001	-0.001	0.000	0.000	0.000	0.000
742	A	749	THR	0	0.001	0.017	47.436	0.000	0.000	0.000	0.000	0.000	0.000
743	A	750	THR	0	-0.030	-0.014	48.968	0.000	0.000	0.000	0.000	0.000	0.000
744	A	751	ALA	0	0.037	0.019	45.443	0.000	0.000	0.000	0.000	0.000	0.000
745	A	752	LEU	0	0.015	0.021	46.186	0.000	0.000	0.000	0.000	0.000	0.000
746	A	753	ARG	1	0.911	0.943	42.550	-0.017	-0.017	0.000	0.000	0.000	0.000
747	A	754	PRO	0	-0.007	0.019	44.970	-0.001	-0.001	0.000	0.000	0.000	0.000
748	A	755	SER	0	0.034	0.016	40.054	0.001	0.001	0.000	0.000	0.000	0.000
749	A	756	ALA	0	0.030	0.018	37.964	-0.001	-0.001	0.000	0.000	0.000	0.000
750	A	757	SER	0	-0.040	-0.029	39.383	-0.002	-0.002	0.000	0.000	0.000	0.000
751	A	758	THR	0	-0.119	-0.079	40.701	-0.002	-0.002	0.000	0.000	0.000	0.000
752	A	759	GLN	0	-0.002	0.011	42.393	-0.001	-0.001	0.000	0.000	0.000	0.000
753	A	760	ALA	0	-0.045	-0.013	42.013	0.001	0.001	0.000	0.000	0.000	0.000
754	A	761	LEU	0	0.043	0.032	43.361	-0.001	-0.001	0.000	0.000	0.000	0.000
755	A	762	SER	0	-0.073	-0.032	43.932	-0.002	-0.002	0.000	0.000	0.000	0.000
756	A	763	SER	0	0.017	0.011	43.326	0.000	0.000	0.000	0.000	0.000	0.000
757	A	764	SER	0	-0.064	-0.064	42.390	-0.001	-0.001	0.000	0.000	0.000	0.000
758	A	765	VAL	0	0.037	0.013	43.507	0.000	0.000	0.000	0.000	0.000	0.000
759	A	766	SER	0	-0.022	0.007	41.079	-0.002	-0.002	0.000	0.000	0.000	0.000
760	A	767	SER	0	-0.009	-0.014	43.436	0.001	0.001	0.000	0.000	0.000	0.000
761	A	768	SER	0	-0.062	-0.058	42.413	0.000	0.000	0.000	0.000	0.000	0.000
762	A	769	LYS	1	0.871	0.914	44.715	0.021	0.021	0.000	0.000	0.000	0.000
763	A	770	LEU	0	-0.024	0.007	40.718	0.000	0.000	0.000	0.000	0.000	0.000
764	A	771	PHE	0	0.020	0.008	39.042	-0.001	-0.001	0.000	0.000	0.000	0.000
765	A	772	SER	0	-0.023	-0.003	44.988	0.002	0.002	0.000	0.000	0.000	0.000
766	A	784	GLU	-1	-0.958	-1.002	47.886	-0.002	-0.002	0.000	0.000	0.000	0.000
767	A	785	GLU	-1	-0.949	-0.971	43.067	0.006	0.006	0.000	0.000	0.000	0.000
768	A	786	VAL	0	-0.023	-0.012	42.757	-0.001	-0.001	0.000	0.000	0.000	0.000
769	A	787	GLU	-1	-0.854	-0.930	36.127	-0.002	-0.002	0.000	0.000	0.000	0.000
770	A	788	VAL	0	-0.017	-0.003	40.075	-0.003	-0.003	0.000	0.000	0.000	0.000
771	A	789	HIS	0	-0.027	-0.015	33.781	0.001	0.001	0.000	0.000	0.000	0.000
772	A	790	ASN	0	-0.008	-0.024	36.497	-0.002	-0.002	0.000	0.000	0.000	0.000
773	A	791	LEU	0	-0.010	0.010	32.612	0.000	0.000	0.000	0.000	0.000	0.000
774	A	792	LEU	0	-0.034	-0.030	34.138	0.001	0.001	0.000	0.000	0.000	0.000
775	A	793	ILE	0	-0.033	-0.016	33.744	-0.002	-0.002	0.000	0.000	0.000	0.000
776	A	794	ILE	0	0.023	0.002	32.981	0.002	0.002	0.000	0.000	0.000	0.000
777	A	795	ASP	-1	-0.798	-0.875	33.539	0.021	0.021	0.000	0.000	0.000	0.000
778	A	796	GLN	0	0.000	-0.014	30.636	0.000	0.000	0.000	0.000	0.000	0.000
779	A	797	HIS	0	-0.094	-0.050	32.458	0.008	0.008	0.000	0.000	0.000	0.000
780	A	798	THR	0	0.057	0.011	35.229	0.004	0.004	0.000	0.000	0.000	0.000
781	A	799	PHE	0	-0.054	-0.025	29.997	0.002	0.002	0.000	0.000	0.000	0.000
782	A	800	GLU	-1	-0.930	-0.957	35.856	0.017	0.017	0.000	0.000	0.000	0.000
783	A	801	VAL	0	0.003	-0.010	37.265	-0.001	-0.001	0.000	0.000	0.000	0.000
784	A	802	LEU	0	-0.008	-0.005	37.682	-0.001	-0.001	0.000	0.000	0.000	0.000
785	A	803	HIS	0	0.012	0.013	38.947	-0.003	-0.003	0.000	0.000	0.000	0.000
786	A	804	ALA	0	0.032	0.021	38.637	0.000	0.000	0.000	0.000	0.000	0.000
787	A	805	HIS	0	-0.019	-0.002	38.267	-0.002	-0.002	0.000	0.000	0.000	0.000
788	A	806	GLN	0	0.092	0.069	38.890	0.002	0.002	0.000	0.000	0.000	0.000
789	A	807	PHE	0	-0.048	-0.038	35.077	-0.002	-0.002	0.000	0.000	0.000	0.000
790	A	808	LEU	0	-0.041	-0.029	40.336	0.002	0.002	0.000	0.000	0.000	0.000
791	A	809	GLN	0	0.018	0.004	41.898	0.001	0.001	0.000	0.000	0.000	0.000
792	A	810	ASN	0	0.019	0.005	41.397	-0.002	-0.002	0.000	0.000	0.000	0.000
793	A	811	GLU	-1	-0.689	-0.815	37.193	-0.030	-0.030	0.000	0.000	0.000	0.000
794	A	812	TYR	0	-0.026	-0.019	33.839	0.002	0.002	0.000	0.000	0.000	0.000
795	A	813	ALA	0	0.018	0.006	32.505	-0.005	-0.005	0.000	0.000	0.000	0.000
796	A	814	LEU	0	-0.069	-0.029	28.685	0.004	0.004	0.000	0.000	0.000	0.000
797	A	815	SER	0	0.005	0.002	25.854	0.001	0.001	0.000	0.000	0.000	0.000
798	A	816	LEU	0	-0.030	-0.025	25.992	0.001	0.001	0.000	0.000	0.000	0.000
799	A	817	VAL	0	0.012	0.010	23.734	-0.003	-0.003	0.000	0.000	0.000	0.000
800	A	818	SER	0	-0.001	0.013	25.302	0.005	0.005	0.000	0.000	0.000	0.000
801	A	819	CYS	0	-0.024	0.001	25.171	-0.009	-0.009	0.000	0.000	0.000	0.000
802	A	820	LYS	1	0.911	0.953	26.938	0.077	0.077	0.000	0.000	0.000	0.000
803	A	821	LEU	0	0.004	-0.002	27.530	-0.010	-0.010	0.000	0.000	0.000	0.000
804	A	822	GLY	0	0.031	0.007	29.481	0.007	0.007	0.000	0.000	0.000	0.000
805	A	823	LYS	1	0.897	0.937	30.962	0.070	0.070	0.000	0.000	0.000	0.000
806	A	824	ASP	-1	-0.800	-0.888	33.330	-0.040	-0.040	0.000	0.000	0.000	0.000
807	A	825	PRO	0	-0.026	0.009	32.781	-0.004	-0.004	0.000	0.000	0.000	0.000
808	A	826	ASN	0	-0.053	-0.038	33.413	0.006	0.006	0.000	0.000	0.000	0.000
809	A	827	THR	0	-0.005	0.002	29.131	-0.006	-0.006	0.000	0.000	0.000	0.000
810	A	828	TYR	0	-0.070	-0.051	30.705	0.007	0.007	0.000	0.000	0.000	0.000
811	A	829	PHE	0	0.027	0.007	29.276	-0.003	-0.003	0.000	0.000	0.000	0.000
812	A	830	ILE	0	-0.023	-0.033	28.659	0.001	0.001	0.000	0.000	0.000	0.000
813	A	831	VAL	0	0.015	0.002	29.250	-0.001	-0.001	0.000	0.000	0.000	0.000
814	A	832	GLY	0	0.015	0.012	29.849	-0.002	-0.002	0.000	0.000	0.000	0.000
815	A	833	THR	0	-0.037	-0.032	31.070	0.003	0.003	0.000	0.000	0.000	0.000
816	A	834	ALA	0	0.000	-0.025	33.348	-0.006	-0.006	0.000	0.000	0.000	0.000
817	A	835	MET	0	-0.035	0.003	35.224	0.003	0.003	0.000	0.000	0.000	0.000
818	A	836	VAL	0	0.002	0.008	36.550	-0.002	-0.002	0.000	0.000	0.000	0.000
819	A	837	TYR	0	-0.020	-0.012	39.126	0.003	0.003	0.000	0.000	0.000	0.000
820	A	838	PRO	0	0.003	-0.008	41.587	-0.001	-0.001	0.000	0.000	0.000	0.000
821	A	839	GLU	-1	-0.927	-0.960	43.365	-0.021	-0.021	0.000	0.000	0.000	0.000
822	A	840	GLU	-1	-0.952	-0.978	40.077	-0.034	-0.034	0.000	0.000	0.000	0.000
823	A	841	ALA	0	0.002	-0.003	37.658	0.001	0.001	0.000	0.000	0.000	0.000
824	A	842	GLU	-1	-0.902	-0.961	32.980	-0.051	-0.051	0.000	0.000	0.000	0.000
825	A	843	PRO	0	0.035	0.039	34.088	-0.001	-0.001	0.000	0.000	0.000	0.000
826	A	844	LYS	1	0.801	0.894	35.913	0.042	0.042	0.000	0.000	0.000	0.000
827	A	845	GLN	0	0.018	-0.002	38.026	-0.001	-0.001	0.000	0.000	0.000	0.000
828	A	846	GLY	0	0.068	0.047	35.272	0.002	0.002	0.000	0.000	0.000	0.000
829	A	847	ARG	1	0.724	0.848	35.298	0.029	0.029	0.000	0.000	0.000	0.000
830	A	848	ILE	0	0.027	0.028	30.494	0.000	0.000	0.000	0.000	0.000	0.000
831	A	849	VAL	0	-0.015	-0.018	33.389	0.001	0.001	0.000	0.000	0.000	0.000
832	A	850	VAL	0	-0.034	-0.005	32.871	-0.001	-0.001	0.000	0.000	0.000	0.000
833	A	851	PHE	0	0.047	0.014	34.127	0.003	0.003	0.000	0.000	0.000	0.000
834	A	852	GLN	0	0.026	0.004	34.394	-0.003	-0.003	0.000	0.000	0.000	0.000
835	A	853	TYR	0	0.001	0.012	35.454	0.002	0.002	0.000	0.000	0.000	0.000
836	A	854	SER	0	0.025	0.006	36.434	-0.001	-0.001	0.000	0.000	0.000	0.000
837	A	855	ASP	-1	-0.922	-0.961	39.030	-0.006	-0.006	0.000	0.000	0.000	0.000
838	A	856	GLY	0	-0.001	0.003	40.720	0.000	0.000	0.000	0.000	0.000	0.000
839	A	857	LYS	1	0.917	0.975	41.536	0.013	0.013	0.000	0.000	0.000	0.000
840	A	858	LEU	0	-0.009	0.005	36.678	-0.002	-0.002	0.000	0.000	0.000	0.000
841	A	859	GLN	0	0.006	-0.015	39.591	0.000	0.000	0.000	0.000	0.000	0.000
842	A	860	THR	0	0.002	0.000	38.877	-0.002	-0.002	0.000	0.000	0.000	0.000
843	A	861	VAL	0	-0.083	-0.026	36.710	0.001	0.001	0.000	0.000	0.000	0.000
844	A	862	ALA	0	0.017	-0.006	37.208	0.000	0.000	0.000	0.000	0.000	0.000
845	A	863	GLU	-1	-0.786	-0.843	37.371	-0.033	-0.033	0.000	0.000	0.000	0.000
846	A	864	LYS	1	0.887	0.946	34.806	0.058	0.058	0.000	0.000	0.000	0.000
847	A	865	GLU	-1	-0.911	-0.948	36.370	-0.044	-0.044	0.000	0.000	0.000	0.000
848	A	866	VAL	0	-0.042	-0.019	32.855	-0.006	-0.006	0.000	0.000	0.000	0.000
849	A	867	LYS	1	0.905	0.933	35.561	0.062	0.062	0.000	0.000	0.000	0.000
850	A	868	GLY	0	0.080	0.040	34.407	0.001	0.001	0.000	0.000	0.000	0.000
851	A	869	ALA	0	0.012	0.012	31.297	0.000	0.000	0.000	0.000	0.000	0.000
852	A	870	VAL	0	-0.036	-0.011	28.010	-0.007	-0.007	0.000	0.000	0.000	0.000
853	A	871	TYR	0	0.013	-0.005	25.697	0.006	0.006	0.000	0.000	0.000	0.000
854	A	872	SER	0	0.039	0.016	21.612	0.009	0.009	0.000	0.000	0.000	0.000
855	A	873	MET	0	-0.067	-0.043	23.380	-0.005	-0.005	0.000	0.000	0.000	0.000
856	A	874	VAL	0	0.035	0.023	18.522	0.006	0.006	0.000	0.000	0.000	0.000
857	A	875	GLU	-1	-0.863	-0.926	21.811	-0.140	-0.140	0.000	0.000	0.000	0.000
858	A	876	PHE	0	-0.015	-0.005	18.422	-0.011	-0.011	0.000	0.000	0.000	0.000
859	A	877	ASN	0	0.012	0.015	19.915	0.015	0.015	0.000	0.000	0.000	0.000
860	A	878	GLY	0	-0.028	-0.020	22.796	0.009	0.009	0.000	0.000	0.000	0.000
861	A	879	LYS	1	0.808	0.910	25.069	0.169	0.169	0.000	0.000	0.000	0.000
862	A	880	LEU	0	-0.012	0.006	25.105	-0.003	-0.003	0.000	0.000	0.000	0.000
863	A	881	LEU	0	-0.008	0.024	20.403	0.000	0.000	0.000	0.000	0.000	0.000
864	A	882	ALA	0	0.015	0.002	24.099	0.007	0.007	0.000	0.000	0.000	0.000
865	A	883	SER	0	0.014	0.007	24.100	-0.008	-0.008	0.000	0.000	0.000	0.000
866	A	884	ILE	0	-0.057	-0.035	26.044	0.010	0.010	0.000	0.000	0.000	0.000
867	A	885	ASN	0	0.014	0.004	29.509	-0.003	-0.003	0.000	0.000	0.000	0.000
868	A	886	SER	0	0.016	0.018	27.757	-0.003	-0.003	0.000	0.000	0.000	0.000
869	A	887	THR	0	-0.056	-0.026	27.798	-0.010	-0.010	0.000	0.000	0.000	0.000
870	A	888	VAL	0	0.052	0.039	22.430	0.009	0.009	0.000	0.000	0.000	0.000
871	A	889	ARG	1	0.914	0.954	25.651	0.087	0.087	0.000	0.000	0.000	0.000
872	A	890	LEU	0	0.017	0.031	24.072	0.001	0.001	0.000	0.000	0.000	0.000
873	A	891	TYR	0	-0.029	-0.035	27.227	0.011	0.011	0.000	0.000	0.000	0.000
874	A	892	GLU	-1	-0.775	-0.867	28.834	-0.112	-0.112	0.000	0.000	0.000	0.000
875	A	893	TRP	0	0.031	0.004	31.260	0.005	0.005	0.000	0.000	0.000	0.000
876	A	894	THR	0	-0.028	-0.021	33.302	-0.003	-0.003	0.000	0.000	0.000	0.000
877	A	895	THR	0	0.009	-0.010	36.803	0.001	0.001	0.000	0.000	0.000	0.000
878	A	896	GLU	-1	-0.910	-0.937	39.148	-0.045	-0.045	0.000	0.000	0.000	0.000
879	A	897	LYS	1	0.811	0.903	37.812	0.044	0.044	0.000	0.000	0.000	0.000
880	A	898	GLU	-1	-0.870	-0.942	37.260	-0.045	-0.045	0.000	0.000	0.000	0.000
881	A	899	LEU	0	-0.012	0.013	31.681	-0.004	-0.004	0.000	0.000	0.000	0.000
882	A	900	ARG	1	0.813	0.884	33.887	0.090	0.090	0.000	0.000	0.000	0.000
883	A	901	THR	0	-0.053	-0.041	31.674	-0.003	-0.003	0.000	0.000	0.000	0.000
884	A	902	GLU	-1	-0.797	-0.868	28.518	-0.140	-0.140	0.000	0.000	0.000	0.000
885	A	903	CYS	0	-0.008	0.009	26.502	0.000	0.000	0.000	0.000	0.000	0.000
886	A	904	ASN	0	-0.034	-0.027	28.357	0.003	0.003	0.000	0.000	0.000	0.000
887	A	905	HIS	0	0.029	0.019	23.347	-0.009	-0.009	0.000	0.000	0.000	0.000
888	A	906	TYR	0	-0.041	-0.035	26.689	0.003	0.003	0.000	0.000	0.000	0.000
889	A	907	ASN	0	-0.035	-0.001	24.139	0.023	0.023	0.000	0.000	0.000	0.000
890	A	908	ASN	0	-0.026	-0.027	22.235	-0.020	-0.020	0.000	0.000	0.000	0.000
891	A	909	ILE	0	-0.071	-0.028	25.279	0.005	0.005	0.000	0.000	0.000	0.000
892	A	910	MET	0	-0.014	-0.009	25.398	0.006	0.006	0.000	0.000	0.000	0.000
893	A	911	ALA	0	0.012	0.018	22.798	-0.003	-0.003	0.000	0.000	0.000	0.000
894	A	912	LEU	0	-0.012	-0.009	22.023	0.002	0.002	0.000	0.000	0.000	0.000
895	A	913	TYR	0	-0.037	-0.005	17.904	0.008	0.008	0.000	0.000	0.000	0.000
896	A	914	LEU	0	-0.015	-0.006	17.935	-0.019	-0.019	0.000	0.000	0.000	0.000
897	A	915	LYS	1	0.825	0.920	13.334	0.130	0.130	0.000	0.000	0.000	0.000
898	A	916	THR	0	0.037	0.004	14.936	-0.005	-0.005	0.000	0.000	0.000	0.000
899	A	917	LYS	1	0.904	0.982	8.369	1.187	1.187	0.000	0.000	0.000	0.000
900	A	918	GLY	0	0.036	0.018	13.570	-0.036	-0.036	0.000	0.000	0.000	0.000
901	A	919	ASP	-1	-0.869	-0.953	16.430	-0.241	-0.241	0.000	0.000	0.000	0.000
902	A	920	PHE	0	-0.051	-0.028	12.250	0.038	0.038	0.000	0.000	0.000	0.000
903	A	921	ILE	0	0.009	-0.009	15.618	0.025	0.025	0.000	0.000	0.000	0.000
904	A	922	LEU	0	-0.012	0.003	10.801	-0.032	-0.032	0.000	0.000	0.000	0.000
905	A	923	VAL	0	-0.025	-0.033	14.768	0.047	0.047	0.000	0.000	0.000	0.000
906	A	924	GLY	0	0.028	0.015	17.451	0.000	0.000	0.000	0.000	0.000	0.000
907	A	925	ASP	-1	-0.749	-0.909	17.999	-0.099	-0.099	0.000	0.000	0.000	0.000
908	A	926	LEU	0	-0.004	0.003	20.897	0.013	0.013	0.000	0.000	0.000	0.000
909	A	927	MET	0	0.012	0.009	22.943	0.009	0.009	0.000	0.000	0.000	0.000
910	A	928	ARG	1	0.838	0.911	21.820	0.144	0.144	0.000	0.000	0.000	0.000
911	A	929	SER	0	0.018	0.027	16.287	-0.013	-0.013	0.000	0.000	0.000	0.000
912	A	930	VAL	0	0.029	0.007	12.854	0.001	0.001	0.000	0.000	0.000	0.000
913	A	931	LEU	0	-0.046	-0.028	16.201	-0.017	-0.017	0.000	0.000	0.000	0.000
914	A	932	LEU	0	0.011	0.037	11.593	0.009	0.009	0.000	0.000	0.000	0.000
915	A	933	LEU	0	-0.002	0.004	14.929	0.011	0.011	0.000	0.000	0.000	0.000
916	A	934	ALA	0	0.023	-0.002	17.337	-0.027	-0.027	0.000	0.000	0.000	0.000
917	A	935	TYR	0	-0.028	-0.056	18.994	0.036	0.036	0.000	0.000	0.000	0.000
918	A	936	LYS	1	0.916	0.976	20.123	0.315	0.315	0.000	0.000	0.000	0.000
919	A	937	PRO	0	0.016	-0.009	22.861	0.023	0.023	0.000	0.000	0.000	0.000
920	A	938	MET	0	-0.091	-0.036	24.264	0.014	0.014	0.000	0.000	0.000	0.000
921	A	939	GLU	-1	-0.896	-0.959	27.122	-0.177	-0.177	0.000	0.000	0.000	0.000
922	A	940	GLY	0	0.001	0.022	28.361	0.010	0.010	0.000	0.000	0.000	0.000
923	A	941	ASN	0	-0.018	-0.040	26.896	0.009	0.009	0.000	0.000	0.000	0.000
924	A	942	PHE	0	-0.011	-0.005	22.364	-0.013	-0.013	0.000	0.000	0.000	0.000
925	A	943	GLU	-1	-0.918	-0.962	21.586	-0.264	-0.264	0.000	0.000	0.000	0.000
926	A	944	GLU	-1	-0.779	-0.873	19.792	-0.250	-0.250	0.000	0.000	0.000	0.000
927	A	945	ILE	0	-0.058	-0.013	14.508	-0.001	-0.001	0.000	0.000	0.000	0.000
928	A	946	ALA	0	0.050	0.008	13.847	-0.011	-0.011	0.000	0.000	0.000	0.000
929	A	947	ARG	1	0.762	0.880	15.970	0.240	0.240	0.000	0.000	0.000	0.000
930	A	948	ASP	-1	-0.781	-0.888	14.373	-0.220	-0.220	0.000	0.000	0.000	0.000
931	A	949	PHE	0	-0.049	-0.035	15.910	0.047	0.047	0.000	0.000	0.000	0.000
932	A	950	ASN	0	-0.020	-0.012	16.894	0.055	0.055	0.000	0.000	0.000	0.000
933	A	951	PRO	0	-0.037	0.003	18.628	0.003	0.003	0.000	0.000	0.000	0.000
934	A	952	ASN	0	0.018	-0.015	16.663	0.024	0.024	0.000	0.000	0.000	0.000
935	A	953	TRP	0	0.039	0.000	20.277	-0.013	-0.013	0.000	0.000	0.000	0.000
936	A	954	MET	0	-0.069	0.001	14.672	0.016	0.016	0.000	0.000	0.000	0.000
937	A	955	SER	0	-0.023	0.002	18.224	-0.008	-0.008	0.000	0.000	0.000	0.000
938	A	956	ALA	0	0.037	0.009	15.557	-0.014	-0.014	0.000	0.000	0.000	0.000
939	A	957	VAL	0	0.038	-0.002	12.849	0.018	0.018	0.000	0.000	0.000	0.000
940	A	958	GLU	-1	-0.835	-0.920	9.370	-0.229	-0.229	0.000	0.000	0.000	0.000
941	A	959	ILE	0	-0.013	0.006	8.414	0.060	0.060	0.000	0.000	0.000	0.000
942	A	960	LEU	0	-0.031	-0.010	3.416	-0.088	0.297	0.018	-0.102	-0.302	0.000
943	A	961	ASP	-1	-0.920	-0.989	3.144	-10.152	-7.879	0.062	-1.098	-1.238	-0.009
944	A	962	ASP	-1	-0.912	-0.968	6.206	-0.804	-0.804	0.000	0.000	0.000	0.000
945	A	963	ASP	-1	-0.920	-0.936	4.925	-1.883	-1.883	0.000	0.000	0.000	0.000
946	A	964	ASN	0	0.006	-0.013	2.183	-5.051	-3.645	6.988	-4.797	-3.596	-0.038
947	A	965	PHE	0	0.007	-0.012	4.735	-0.036	0.072	-0.001	-0.017	-0.089	0.000
948	A	966	LEU	0	-0.001	0.019	7.035	0.315	0.315	0.000	0.000	0.000	0.000
949	A	967	GLY	0	-0.001	-0.008	8.456	-0.203	-0.203	0.000	0.000	0.000	0.000
950	A	968	ALA	0	-0.040	-0.012	12.141	0.084	0.084	0.000	0.000	0.000	0.000
951	A	969	GLU	-1	-0.793	-0.903	15.162	-0.004	-0.004	0.000	0.000	0.000	0.000
952	A	970	ASN	0	0.012	-0.003	18.096	0.012	0.012	0.000	0.000	0.000	0.000
953	A	971	ALA	0	-0.069	-0.033	21.021	0.001	0.001	0.000	0.000	0.000	0.000
954	A	972	PHE	0	-0.052	-0.040	19.749	0.004	0.004	0.000	0.000	0.000	0.000
955	A	973	ASN	0	-0.036	-0.013	16.581	0.033	0.033	0.000	0.000	0.000	0.000
956	A	974	LEU	0	0.029	0.022	11.442	-0.021	-0.021	0.000	0.000	0.000	0.000
957	A	975	PHE	0	0.018	-0.005	11.128	-0.013	-0.013	0.000	0.000	0.000	0.000
958	A	976	VAL	0	0.005	-0.009	4.992	0.107	0.187	-0.001	-0.006	-0.073	0.000
959	A	977	CYS	0	-0.015	0.013	8.142	-0.188	-0.188	0.000	0.000	0.000	0.000
960	A	978	GLN	0	0.051	0.013	5.340	-0.657	-0.657	0.000	0.000	0.000	0.000
961	A	979	LYN	0	0.035	0.055	7.333	0.279	0.279	0.000	0.000	0.000	0.000
962	A	980	ASP	-1	-0.778	-0.883	9.187	-1.042	-1.042	0.000	0.000	0.000	0.000
963	A	981	SER	0	-0.046	-0.052	11.496	-0.001	-0.001	0.000	0.000	0.000	0.000
964	A	982	ALA	0	-0.009	-0.007	12.869	0.123	0.123	0.000	0.000	0.000	0.000
965	A	983	ALA	0	-0.022	-0.006	14.770	0.088	0.088	0.000	0.000	0.000	0.000
966	A	984	THR	0	-0.092	-0.022	14.253	0.018	0.018	0.000	0.000	0.000	0.000
967	A	985	THR	0	-0.025	-0.043	17.059	0.003	0.003	0.000	0.000	0.000	0.000
968	A	986	ASP	-1	-0.899	-0.942	19.768	-0.320	-0.320	0.000	0.000	0.000	0.000
969	A	987	GLU	-1	-0.947	-0.984	20.512	-0.279	-0.279	0.000	0.000	0.000	0.000
970	A	988	GLU	-1	-0.852	-0.921	19.552	-0.284	-0.284	0.000	0.000	0.000	0.000
971	A	989	ARG	1	0.855	0.909	14.854	0.559	0.559	0.000	0.000	0.000	0.000
972	A	990	GLN	0	-0.104	-0.038	15.438	-0.051	-0.051	0.000	0.000	0.000	0.000
973	A	991	HIS	0	-0.015	-0.015	16.061	0.043	0.043	0.000	0.000	0.000	0.000
974	A	992	LEU	0	-0.023	-0.012	10.319	-0.087	-0.087	0.000	0.000	0.000	0.000
975	A	993	GLN	0	-0.047	-0.012	10.108	0.166	0.166	0.000	0.000	0.000	0.000
976	A	994	GLU	-1	-0.824	-0.935	9.942	-0.120	-0.120	0.000	0.000	0.000	0.000
977	A	995	VAL	0	-0.049	-0.017	5.176	-0.007	-0.007	0.000	0.000	0.000	0.000
978	A	996	GLY	0	0.015	0.007	8.266	0.160	0.160	0.000	0.000	0.000	0.000
979	A	997	LEU	0	-0.057	-0.016	9.491	-0.041	-0.041	0.000	0.000	0.000	0.000
980	A	998	PHE	0	0.046	0.009	12.211	-0.007	-0.007	0.000	0.000	0.000	0.000
981	A	999	HIS	0	-0.057	-0.018	13.928	-0.024	-0.024	0.000	0.000	0.000	0.000
982	A	1000	LEU	0	0.015	0.007	15.024	0.012	0.012	0.000	0.000	0.000	0.000
983	A	1001	GLY	0	0.002	-0.004	17.183	-0.009	-0.009	0.000	0.000	0.000	0.000
984	A	1002	GLU	-1	-0.817	-0.932	19.205	0.116	0.116	0.000	0.000	0.000	0.000
985	A	1003	PHE	0	-0.013	-0.011	19.411	0.015	0.015	0.000	0.000	0.000	0.000
986	A	1004	VAL	0	0.009	-0.001	15.265	-0.009	-0.009	0.000	0.000	0.000	0.000
987	A	1005	ASN	0	0.020	0.004	18.450	-0.021	-0.021	0.000	0.000	0.000	0.000
988	A	1006	VAL	0	-0.001	0.017	17.681	-0.017	-0.017	0.000	0.000	0.000	0.000
989	A	1007	PHE	0	-0.010	-0.005	12.454	0.044	0.044	0.000	0.000	0.000	0.000
990	A	1008	CYS	0	-0.031	-0.033	14.071	-0.033	-0.033	0.000	0.000	0.000	0.000
991	A	1009	HIS	0	-0.001	0.024	8.123	0.111	0.111	0.000	0.000	0.000	0.000
992	A	1010	GLY	0	0.006	0.006	12.690	0.007	0.007	0.000	0.000	0.000	0.000
993	A	1011	SER	0	0.011	0.002	14.032	0.031	0.031	0.000	0.000	0.000	0.000
994	A	1012	LEU	0	0.021	0.013	15.950	-0.021	-0.021	0.000	0.000	0.000	0.000
995	A	1013	VAL	0	0.033	0.045	16.776	-0.009	-0.009	0.000	0.000	0.000	0.000
996	A	1014	MET	0	-0.017	0.005	15.119	-0.009	-0.009	0.000	0.000	0.000	0.000
997	A	1023	PRO	0	0.023	0.009	10.362	-0.014	-0.014	0.000	0.000	0.000	0.000
998	A	1024	THR	0	-0.016	-0.028	6.995	0.300	0.300	0.000	0.000	0.000	0.000
999	A	1025	GLN	0	-0.122	-0.086	1.882	3.950	-27.144	53.168	-15.704	-6.371	0.061
1000	A	1026	GLY	0	0.055	0.033	5.336	-0.757	-0.757	0.000	0.000	0.000	0.000
1001	A	1027	SER	0	-0.009	-0.003	7.535	0.264	0.264	0.000	0.000	0.000	0.000
1002	A	1028	VAL	0	0.008	0.018	8.294	-0.091	-0.091	0.000	0.000	0.000	0.000
1003	A	1029	LEU	0	0.040	0.024	10.688	0.095	0.095	0.000	0.000	0.000	0.000
1004	A	1030	PHE	0	-0.015	-0.012	12.830	-0.032	-0.032	0.000	0.000	0.000	0.000
1005	A	1031	GLY	0	0.060	0.032	15.857	0.011	0.011	0.000	0.000	0.000	0.000
1006	A	1032	THR	0	-0.031	-0.055	18.928	-0.003	-0.003	0.000	0.000	0.000	0.000
1007	A	1033	VAL	0	0.017	0.006	21.276	-0.009	-0.009	0.000	0.000	0.000	0.000
1008	A	1034	ASN	0	-0.037	-0.020	24.249	-0.016	-0.016	0.000	0.000	0.000	0.000
1009	A	1035	GLY	0	0.117	0.058	24.590	0.001	0.001	0.000	0.000	0.000	0.000
1010	A	1036	MET	0	-0.076	0.000	17.047	0.001	0.001	0.000	0.000	0.000	0.000
1011	A	1037	ILE	0	0.001	0.027	17.908	-0.007	-0.007	0.000	0.000	0.000	0.000
1012	A	1038	GLY	0	0.044	-0.003	15.584	0.014	0.014	0.000	0.000	0.000	0.000
1013	A	1039	LEU	0	-0.001	-0.007	11.080	-0.037	-0.037	0.000	0.000	0.000	0.000
1014	A	1040	VAL	0	-0.035	-0.010	6.736	0.079	0.079	0.000	0.000	0.000	0.000
1015	A	1041	THR	0	-0.015	-0.027	6.433	-0.119	-0.119	0.000	0.000	0.000	0.000
1016	A	1042	SER	0	0.042	0.026	1.943	-3.973	-6.384	9.655	-3.414	-3.829	-0.015
1017	A	1043	LEU	0	-0.014	-0.012	3.666	0.329	0.959	0.005	-0.162	-0.473	0.000
1018	A	1044	SER	0	0.027	0.008	3.248	-0.992	0.299	0.217	-0.611	-0.896	-0.003
1019	A	1045	GLU	-1	-0.849	-0.935	4.075	-1.992	-1.844	0.001	-0.013	-0.135	0.000
1020	A	1046	SER	0	-0.043	-0.035	5.689	0.128	0.128	0.000	0.000	0.000	0.000
1021	A	1047	TRP	0	0.012	0.008	7.887	-0.355	-0.355	0.000	0.000	0.000	0.000
1022	A	1048	TYR	0	0.037	0.041	6.696	-0.198	-0.198	0.000	0.000	0.000	0.000
1023	A	1049	ASN	0	0.030	-0.006	8.662	-0.058	-0.058	0.000	0.000	0.000	0.000
1024	A	1050	LEU	0	0.002	0.035	11.246	-0.033	-0.033	0.000	0.000	0.000	0.000
1025	A	1051	LEU	0	0.050	-0.001	10.391	-0.060	-0.060	0.000	0.000	0.000	0.000
1026	A	1052	LEU	0	-0.001	0.019	12.320	-0.041	-0.041	0.000	0.000	0.000	0.000
1027	A	1053	ASP	-1	-0.842	-0.922	14.034	0.115	0.115	0.000	0.000	0.000	0.000
1028	A	1054	MET	0	-0.049	-0.024	16.587	-0.016	-0.016	0.000	0.000	0.000	0.000
1029	A	1055	GLN	0	0.082	0.046	14.645	0.022	0.022	0.000	0.000	0.000	0.000
1030	A	1056	ASN	0	-0.014	-0.004	18.018	-0.009	-0.009	0.000	0.000	0.000	0.000
1031	A	1057	ARG	1	0.786	0.880	20.359	-0.167	-0.167	0.000	0.000	0.000	0.000
1032	A	1058	LEU	0	0.055	0.019	19.688	-0.018	-0.018	0.000	0.000	0.000	0.000
1033	A	1059	ASN	0	-0.031	-0.019	20.588	-0.007	-0.007	0.000	0.000	0.000	0.000
1034	A	1060	LYS	1	0.863	0.941	23.685	-0.098	-0.098	0.000	0.000	0.000	0.000
1035	A	1061	VAL	0	-0.054	-0.009	26.158	-0.010	-0.010	0.000	0.000	0.000	0.000
1036	A	1062	ILE	0	0.004	0.007	23.796	-0.010	-0.010	0.000	0.000	0.000	0.000
1037	A	1063	LYS	1	0.909	0.955	27.690	-0.100	-0.100	0.000	0.000	0.000	0.000
1038	A	1064	SER	0	0.014	0.014	27.262	0.000	0.000	0.000	0.000	0.000	0.000
1039	A	1065	VAL	0	0.075	0.022	29.005	-0.008	-0.008	0.000	0.000	0.000	0.000
1040	A	1066	GLY	0	0.007	-0.002	30.907	-0.006	-0.006	0.000	0.000	0.000	0.000
1041	A	1067	LYS	1	0.889	0.938	31.520	-0.067	-0.067	0.000	0.000	0.000	0.000
1042	A	1068	ILE	0	-0.036	0.003	26.369	-0.006	-0.006	0.000	0.000	0.000	0.000
1043	A	1069	GLU	-1	-0.897	-0.945	25.330	0.088	0.088	0.000	0.000	0.000	0.000
1044	A	1070	HIS	0	0.013	0.006	17.850	-0.023	-0.023	0.000	0.000	0.000	0.000
1045	A	1071	SER	0	0.060	0.017	20.194	0.011	0.011	0.000	0.000	0.000	0.000
1046	A	1072	PHE	0	-0.008	0.042	20.727	-0.002	-0.002	0.000	0.000	0.000	0.000
1047	A	1073	TRP	0	0.029	0.058	21.222	-0.005	-0.005	0.000	0.000	0.000	0.000
1048	A	1074	ARG	1	0.873	0.950	16.827	-0.271	-0.271	0.000	0.000	0.000	0.000
1049	A	1075	SER	0	-0.043	-0.051	17.280	0.015	0.015	0.000	0.000	0.000	0.000
1050	A	1076	PHE	0	0.032	0.037	15.688	-0.005	-0.005	0.000	0.000	0.000	0.000
1051	A	1077	HIS	0	0.010	-0.013	18.301	-0.031	-0.031	0.000	0.000	0.000	0.000
1052	A	1078	THR	0	-0.028	-0.009	21.102	0.002	0.002	0.000	0.000	0.000	0.000
1053	A	1079	GLU	-1	-0.862	-0.936	23.698	0.005	0.005	0.000	0.000	0.000	0.000
1054	A	1080	ARG	1	0.839	0.918	19.676	0.055	0.055	0.000	0.000	0.000	0.000
1055	A	1081	LYS	1	0.847	0.943	17.291	0.053	0.053	0.000	0.000	0.000	0.000
1056	A	1082	THR	0	-0.043	-0.034	22.106	0.017	0.017	0.000	0.000	0.000	0.000
1057	A	1083	GLU	-1	-0.917	-0.961	18.473	-0.056	-0.056	0.000	0.000	0.000	0.000
1058	A	1084	PRO	0	-0.035	-0.007	18.135	0.034	0.034	0.000	0.000	0.000	0.000
1059	A	1085	ALA	0	0.025	-0.002	14.759	-0.010	-0.010	0.000	0.000	0.000	0.000
1060	A	1086	THR	0	-0.055	-0.016	12.352	-0.046	-0.046	0.000	0.000	0.000	0.000
1061	A	1087	GLY	0	0.101	0.023	8.509	0.055	0.055	0.000	0.000	0.000	0.000
1062	A	1088	PHE	0	-0.051	-0.031	7.616	0.593	0.593	0.000	0.000	0.000	0.000
1063	A	1089	ILE	0	-0.065	-0.024	8.875	-0.162	-0.162	0.000	0.000	0.000	0.000
1064	A	1090	ASP	-1	-0.846	-0.941	11.600	0.377	0.377	0.000	0.000	0.000	0.000
1065	A	1091	GLY	0	0.069	0.018	13.852	-0.024	-0.024	0.000	0.000	0.000	0.000
1066	A	1092	ASP	-1	-0.845	-0.893	14.857	0.264	0.264	0.000	0.000	0.000	0.000
1067	A	1093	LEU	0	-0.051	-0.005	17.815	-0.025	-0.025	0.000	0.000	0.000	0.000
1068	A	1094	ILE	0	0.029	0.065	14.522	-0.027	-0.027	0.000	0.000	0.000	0.000
1069	A	1095	GLU	-1	-0.819	-0.932	16.987	0.349	0.349	0.000	0.000	0.000	0.000
1070	A	1096	SER	0	-0.111	-0.103	19.575	-0.024	-0.024	0.000	0.000	0.000	0.000
1071	A	1097	PHE	0	-0.038	-0.053	20.998	-0.028	-0.028	0.000	0.000	0.000	0.000
1072	A	1098	LEU	0	0.012	0.003	21.645	-0.012	-0.012	0.000	0.000	0.000	0.000
1073	A	1099	ASP	-1	-0.882	-0.932	24.622	0.186	0.186	0.000	0.000	0.000	0.000
1074	A	1100	ILE	0	-0.101	-0.015	25.521	-0.020	-0.020	0.000	0.000	0.000	0.000
1075	A	1101	SER	0	-0.028	-0.010	28.331	-0.003	-0.003	0.000	0.000	0.000	0.000
1076	A	1102	ARG	1	1.012	0.968	28.864	-0.158	-0.158	0.000	0.000	0.000	0.000
1077	A	1103	PRO	0	0.018	-0.004	30.638	0.005	0.005	0.000	0.000	0.000	0.000
1078	A	1104	LYS	1	0.837	0.916	29.268	-0.113	-0.113	0.000	0.000	0.000	0.000
1079	A	1105	MET	0	0.080	0.060	26.027	0.002	0.002	0.000	0.000	0.000	0.000
1080	A	1106	GLN	0	-0.005	-0.005	26.557	0.013	0.013	0.000	0.000	0.000	0.000
1081	A	1107	GLU	-1	-0.926	-0.956	28.567	0.100	0.100	0.000	0.000	0.000	0.000
1082	A	1108	VAL	0	0.027	0.013	22.469	-0.004	-0.004	0.000	0.000	0.000	0.000
1083	A	1109	VAL	0	-0.020	0.017	23.487	-0.002	-0.002	0.000	0.000	0.000	0.000
1084	A	1110	ALA	0	-0.007	-0.003	24.024	-0.004	-0.004	0.000	0.000	0.000	0.000
1085	A	1111	ASN	0	-0.085	-0.044	24.170	0.007	0.007	0.000	0.000	0.000	0.000
1086	A	1112	LEU	0	0.029	0.012	18.828	0.010	0.010	0.000	0.000	0.000	0.000
1087	A	1113	GLN	0	-0.029	-0.011	13.809	0.036	0.036	0.000	0.000	0.000	0.000
1088	A	1124	ALA	0	0.020	-0.009	19.617	0.001	0.001	0.000	0.000	0.000	0.000
1089	A	1125	THR	0	-0.051	-0.019	21.744	-0.023	-0.023	0.000	0.000	0.000	0.000
1090	A	1126	ALA	0	0.030	0.014	24.465	0.012	0.012	0.000	0.000	0.000	0.000
1091	A	1127	ASP	-1	-0.787	-0.916	23.799	0.213	0.213	0.000	0.000	0.000	0.000
1092	A	1128	ASP	-1	-0.965	-0.990	20.882	0.290	0.290	0.000	0.000	0.000	0.000
1093	A	1129	LEU	0	0.021	-0.001	18.798	0.034	0.034	0.000	0.000	0.000	0.000
1094	A	1130	ILE	0	-0.033	0.006	19.836	0.021	0.021	0.000	0.000	0.000	0.000
1095	A	1131	LYS	1	0.906	0.958	20.402	-0.270	-0.270	0.000	0.000	0.000	0.000
1096	A	1132	VAL	0	-0.025	-0.013	14.814	0.025	0.025	0.000	0.000	0.000	0.000
1097	A	1133	VAL	0	-0.010	-0.017	16.675	0.038	0.038	0.000	0.000	0.000	0.000
1098	A	1134	GLU	-1	-0.890	-0.953	18.043	0.274	0.274	0.000	0.000	0.000	0.000
1099	A	1135	GLU	-1	-0.895	-0.934	15.152	0.470	0.470	0.000	0.000	0.000	0.000
1100	A	1136	LEU	0	-0.038	-0.019	11.599	0.024	0.024	0.000	0.000	0.000	0.000
1101	A	1137	THR	0	0.028	0.020	14.936	-0.007	-0.007	0.000	0.000	0.000	0.000
1102	A	1138	ARG	1	0.772	0.884	16.448	-0.419	-0.419	0.000	0.000	0.000	0.000
1103	A	1139	ILE	0	-0.054	-0.027	11.519	-0.017	-0.017	0.000	0.000	0.000	0.000
1104	A	1140	HIS	0	-0.057	-0.020	14.947	-0.047	-0.047	0.000	0.000	0.000	0.000

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