FMO DATABASE

FMODB ID: G6YY1

Calculation Name: 3NE5-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 3NE5

Chain ID: A

ChEMBL ID:

UniProt ID: P38054

Base Structure: X-ray

Registration Date: 2023-06-22

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	1028
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-28874634.957211
FMO2-HF: Nuclear repulsion	28481673.868453
FMO2-HF: Total energy	-392961.088758
FMO2-MP2: Total energy	-394111.29171

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:4:TRP)

Summations of interaction energy for fragment #1(A:4:TRP)

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.
-12.88	-7.86	0.219	-1.907	-3.334	0.002

Interaction energy analysis for fragmet #1(A:4:TRP)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.023 / q_NPA : -0.004

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	6	ILE	0	0.066	0.048	3.201	-1.913	1.011	0.026	-1.258	-1.692	0.001
4	A	7	ARG	1	0.949	0.971	3.378	-7.359	-6.106	0.079	-0.433	-0.900	0.002
5	A	8	ARG	1	0.945	0.957	3.176	-4.378	-3.535	0.114	-0.216	-0.742	-0.001
6	A	9	SER	0	0.018	0.008	7.285	-0.187	-0.187	0.000	0.000	0.000	0.000
7	A	10	VAL	0	0.014	0.016	8.983	-0.163	-0.163	0.000	0.000	0.000	0.000
8	A	11	ALA	0	-0.012	-0.002	10.910	-0.132	-0.132	0.000	0.000	0.000	0.000
9	A	12	ASN	0	-0.027	0.001	11.122	-0.058	-0.058	0.000	0.000	0.000	0.000
10	A	13	ARG	1	0.970	0.971	14.207	-0.543	-0.543	0.000	0.000	0.000	0.000
11	A	14	PHE	0	0.018	0.005	16.188	-0.040	-0.040	0.000	0.000	0.000	0.000
12	A	15	LEU	0	0.084	0.026	19.241	-0.020	-0.020	0.000	0.000	0.000	0.000
13	A	16	VAL	0	0.012	0.030	14.094	-0.031	-0.031	0.000	0.000	0.000	0.000
14	A	17	LEU	0	-0.012	-0.005	17.529	-0.030	-0.030	0.000	0.000	0.000	0.000
15	A	18	MET	0	0.020	-0.010	20.326	-0.021	-0.021	0.000	0.000	0.000	0.000
16	A	19	GLY	0	-0.010	0.008	19.903	-0.020	-0.020	0.000	0.000	0.000	0.000
17	A	20	ALA	0	0.032	-0.006	19.146	-0.021	-0.021	0.000	0.000	0.000	0.000
18	A	21	LEU	0	-0.029	0.011	21.094	-0.017	-0.017	0.000	0.000	0.000	0.000
19	A	22	PHE	0	0.008	-0.018	24.426	-0.014	-0.014	0.000	0.000	0.000	0.000
20	A	23	LEU	0	0.021	0.016	19.779	-0.011	-0.011	0.000	0.000	0.000	0.000
21	A	24	SER	0	-0.010	0.003	23.811	-0.018	-0.018	0.000	0.000	0.000	0.000
22	A	25	ILE	0	0.019	0.024	25.531	-0.011	-0.011	0.000	0.000	0.000	0.000
23	A	26	TRP	0	-0.056	-0.014	25.213	-0.006	-0.006	0.000	0.000	0.000	0.000
24	A	27	GLY	0	-0.008	-0.043	26.285	-0.008	-0.008	0.000	0.000	0.000	0.000
25	A	28	THR	0	-0.007	-0.026	27.169	-0.009	-0.009	0.000	0.000	0.000	0.000
26	A	29	TRP	0	-0.007	-0.004	30.220	-0.005	-0.005	0.000	0.000	0.000	0.000
27	A	30	THR	0	0.027	0.002	28.696	-0.004	-0.004	0.000	0.000	0.000	0.000
28	A	31	ILE	0	0.000	0.039	30.402	-0.005	-0.005	0.000	0.000	0.000	0.000
29	A	32	ILE	0	-0.057	-0.024	32.119	-0.004	-0.004	0.000	0.000	0.000	0.000
30	A	33	ASN	0	-0.077	-0.023	34.724	-0.005	-0.005	0.000	0.000	0.000	0.000
31	A	34	THR	0	-0.027	-0.028	32.893	-0.001	-0.001	0.000	0.000	0.000	0.000
32	A	35	PRO	0	0.014	0.015	35.322	-0.002	-0.002	0.000	0.000	0.000	0.000
33	A	36	VAL	0	0.044	0.007	36.805	-0.001	-0.001	0.000	0.000	0.000	0.000
34	A	37	ASP	-1	-0.845	-0.944	38.901	-0.007	-0.007	0.000	0.000	0.000	0.000
35	A	38	ALA	0	-0.002	0.005	39.413	-0.001	-0.001	0.000	0.000	0.000	0.000
36	A	39	LEU	0	-0.045	-0.044	38.665	-0.003	-0.003	0.000	0.000	0.000	0.000
37	A	40	PRO	0	-0.032	0.004	35.135	0.003	0.003	0.000	0.000	0.000	0.000
38	A	41	ASP	-1	-0.802	-0.895	37.489	-0.022	-0.022	0.000	0.000	0.000	0.000
39	A	42	LEU	0	0.007	-0.012	38.568	-0.003	-0.003	0.000	0.000	0.000	0.000
40	A	43	SER	0	-0.084	-0.036	40.160	-0.003	-0.003	0.000	0.000	0.000	0.000
41	A	44	ASP	-1	-0.870	-0.933	41.652	-0.038	-0.038	0.000	0.000	0.000	0.000
42	A	45	VAL	0	0.019	0.014	41.299	0.003	0.003	0.000	0.000	0.000	0.000
43	A	46	GLN	0	0.036	0.000	44.025	-0.003	-0.003	0.000	0.000	0.000	0.000
44	A	47	VAL	0	-0.038	-0.007	47.811	0.002	0.002	0.000	0.000	0.000	0.000
45	A	48	ILE	0	-0.030	-0.010	50.468	-0.001	-0.001	0.000	0.000	0.000	0.000
46	A	49	ILE	0	0.011	0.014	54.054	0.001	0.001	0.000	0.000	0.000	0.000
47	A	50	LYS	1	0.955	0.984	57.097	0.010	0.010	0.000	0.000	0.000	0.000
48	A	51	THR	0	0.021	0.011	60.514	0.001	0.001	0.000	0.000	0.000	0.000
49	A	52	SER	0	-0.018	0.007	63.683	0.000	0.000	0.000	0.000	0.000	0.000
50	A	53	TYR	0	0.013	-0.013	67.167	0.000	0.000	0.000	0.000	0.000	0.000
51	A	54	PRO	0	0.082	0.039	69.994	0.000	0.000	0.000	0.000	0.000	0.000
52	A	55	GLY	0	-0.022	-0.017	72.880	0.000	0.000	0.000	0.000	0.000	0.000
53	A	56	GLN	0	-0.023	0.000	72.186	-0.001	-0.001	0.000	0.000	0.000	0.000
54	A	57	ALA	0	0.012	-0.002	72.506	0.000	0.000	0.000	0.000	0.000	0.000
55	A	58	PRO	0	0.058	0.026	69.237	0.000	0.000	0.000	0.000	0.000	0.000
56	A	59	GLN	0	0.041	0.002	68.725	0.000	0.000	0.000	0.000	0.000	0.000
57	A	60	ILE	0	-0.004	0.013	70.088	0.000	0.000	0.000	0.000	0.000	0.000
58	A	61	VAL	0	-0.028	-0.007	66.124	0.000	0.000	0.000	0.000	0.000	0.000
59	A	62	GLU	-1	-0.828	-0.920	63.535	-0.021	-0.021	0.000	0.000	0.000	0.000
60	A	63	ASN	0	-0.011	-0.007	65.418	-0.001	-0.001	0.000	0.000	0.000	0.000
61	A	64	GLN	0	-0.065	-0.036	67.202	-0.001	-0.001	0.000	0.000	0.000	0.000
62	A	65	VAL	0	0.031	0.006	63.849	0.001	0.001	0.000	0.000	0.000	0.000
63	A	66	THR	0	0.038	0.012	60.785	0.000	0.000	0.000	0.000	0.000	0.000
64	A	67	TYR	0	-0.020	0.015	60.888	-0.001	-0.001	0.000	0.000	0.000	0.000
65	A	68	PRO	0	-0.059	-0.020	60.834	-0.001	-0.001	0.000	0.000	0.000	0.000
66	A	69	LEU	0	0.044	0.010	58.986	-0.001	-0.001	0.000	0.000	0.000	0.000
67	A	70	THR	0	-0.011	-0.012	56.471	-0.001	-0.001	0.000	0.000	0.000	0.000
68	A	71	THR	0	-0.054	-0.026	55.583	-0.001	-0.001	0.000	0.000	0.000	0.000
69	A	72	THR	0	-0.065	-0.012	56.042	-0.001	-0.001	0.000	0.000	0.000	0.000
70	A	73	MET	0	0.014	0.001	52.913	-0.001	-0.001	0.000	0.000	0.000	0.000
71	A	74	LEU	0	-0.018	-0.011	51.326	-0.001	-0.001	0.000	0.000	0.000	0.000
72	A	75	SER	0	-0.069	-0.013	50.228	-0.002	-0.002	0.000	0.000	0.000	0.000
73	A	76	VAL	0	-0.004	0.006	47.729	0.001	0.001	0.000	0.000	0.000	0.000
74	A	77	PRO	0	-0.051	-0.035	44.797	-0.002	-0.002	0.000	0.000	0.000	0.000
75	A	78	GLY	0	0.052	0.033	42.838	0.002	0.002	0.000	0.000	0.000	0.000
76	A	79	ALA	0	-0.049	-0.011	43.695	0.000	0.000	0.000	0.000	0.000	0.000
77	A	80	LYS	1	0.920	0.974	42.447	0.039	0.039	0.000	0.000	0.000	0.000
78	A	81	THR	0	-0.012	-0.024	45.709	-0.001	-0.001	0.000	0.000	0.000	0.000
79	A	82	VAL	0	-0.013	-0.005	49.116	0.002	0.002	0.000	0.000	0.000	0.000
80	A	83	ARG	1	0.904	0.969	49.044	0.030	0.030	0.000	0.000	0.000	0.000
81	A	84	GLY	0	0.012	0.004	55.043	0.001	0.001	0.000	0.000	0.000	0.000
82	A	85	PHE	0	-0.012	-0.013	56.508	-0.001	-0.001	0.000	0.000	0.000	0.000
83	A	86	SER	0	0.036	0.023	61.329	0.001	0.001	0.000	0.000	0.000	0.000
84	A	87	GLN	0	0.008	-0.007	64.102	-0.001	-0.001	0.000	0.000	0.000	0.000
85	A	88	PHE	0	-0.013	-0.021	67.350	0.000	0.000	0.000	0.000	0.000	0.000
86	A	89	GLY	0	0.031	0.024	70.423	0.001	0.001	0.000	0.000	0.000	0.000
87	A	90	ASP	-1	-0.930	-0.969	65.271	-0.011	-0.011	0.000	0.000	0.000	0.000
88	A	91	SER	0	-0.062	-0.031	62.598	-0.001	-0.001	0.000	0.000	0.000	0.000
89	A	92	TYR	0	0.034	0.009	58.921	0.001	0.001	0.000	0.000	0.000	0.000
90	A	93	VAL	0	0.024	0.009	55.274	-0.001	-0.001	0.000	0.000	0.000	0.000
91	A	94	TYR	0	-0.011	-0.015	52.480	0.001	0.001	0.000	0.000	0.000	0.000
92	A	95	VAL	0	0.026	0.011	48.901	-0.002	-0.002	0.000	0.000	0.000	0.000
93	A	96	ILE	0	-0.013	-0.002	45.384	0.001	0.001	0.000	0.000	0.000	0.000
94	A	97	PHE	0	0.021	-0.001	43.091	-0.001	-0.001	0.000	0.000	0.000	0.000
95	A	98	GLU	-1	-0.922	-0.963	39.752	-0.047	-0.047	0.000	0.000	0.000	0.000
96	A	99	ASP	-1	-0.831	-0.941	36.361	-0.047	-0.047	0.000	0.000	0.000	0.000
97	A	100	GLY	0	-0.034	-0.014	35.455	-0.002	-0.002	0.000	0.000	0.000	0.000
98	A	101	THR	0	-0.060	-0.020	36.188	0.002	0.002	0.000	0.000	0.000	0.000
99	A	102	ASP	-1	-0.859	-0.947	38.542	-0.013	-0.013	0.000	0.000	0.000	0.000
100	A	103	PRO	0	0.050	0.020	39.782	0.000	0.000	0.000	0.000	0.000	0.000
101	A	104	TYR	0	0.010	-0.003	42.063	0.001	0.001	0.000	0.000	0.000	0.000
102	A	105	TRP	0	0.007	0.023	41.813	0.001	0.001	0.000	0.000	0.000	0.000
103	A	106	ALA	0	0.028	0.012	43.749	0.000	0.000	0.000	0.000	0.000	0.000
104	A	107	ARG	1	0.882	0.951	45.667	0.011	0.011	0.000	0.000	0.000	0.000
105	A	108	SER	0	-0.043	-0.030	47.009	0.001	0.001	0.000	0.000	0.000	0.000
106	A	109	ARG	1	0.881	0.959	45.447	0.019	0.019	0.000	0.000	0.000	0.000
107	A	110	VAL	0	0.043	0.010	48.820	0.000	0.000	0.000	0.000	0.000	0.000
108	A	111	LEU	0	-0.001	-0.001	51.528	0.000	0.000	0.000	0.000	0.000	0.000
109	A	112	GLU	-1	-0.893	-0.953	50.272	-0.017	-0.017	0.000	0.000	0.000	0.000
110	A	113	TYR	0	0.037	0.000	50.212	0.000	0.000	0.000	0.000	0.000	0.000
111	A	114	LEU	0	-0.023	-0.011	54.747	0.000	0.000	0.000	0.000	0.000	0.000
112	A	115	ASN	0	-0.044	-0.015	56.957	0.000	0.000	0.000	0.000	0.000	0.000
113	A	116	GLN	0	-0.028	0.000	54.913	0.000	0.000	0.000	0.000	0.000	0.000
114	A	117	VAL	0	-0.032	-0.030	59.141	-0.001	-0.001	0.000	0.000	0.000	0.000
115	A	118	GLN	0	0.048	0.029	61.102	0.000	0.000	0.000	0.000	0.000	0.000
116	A	119	GLY	0	0.019	0.021	63.278	0.000	0.000	0.000	0.000	0.000	0.000
117	A	120	LYS	1	0.857	0.933	61.826	0.019	0.019	0.000	0.000	0.000	0.000
118	A	121	LEU	0	0.007	0.022	62.915	-0.001	-0.001	0.000	0.000	0.000	0.000
119	A	122	PRO	0	-0.041	-0.022	66.951	0.001	0.001	0.000	0.000	0.000	0.000
120	A	123	ALA	0	0.015	0.002	69.751	0.000	0.000	0.000	0.000	0.000	0.000
121	A	124	GLY	0	-0.027	-0.010	71.127	0.000	0.000	0.000	0.000	0.000	0.000
122	A	125	VAL	0	-0.026	-0.005	66.333	0.000	0.000	0.000	0.000	0.000	0.000
123	A	126	SER	0	0.061	0.025	64.620	0.000	0.000	0.000	0.000	0.000	0.000
124	A	127	ALA	0	-0.081	-0.038	60.184	0.000	0.000	0.000	0.000	0.000	0.000
125	A	128	GLU	-1	-0.908	-0.950	60.208	-0.007	-0.007	0.000	0.000	0.000	0.000
126	A	129	LEU	0	-0.038	-0.027	52.702	-0.001	-0.001	0.000	0.000	0.000	0.000
127	A	130	GLY	0	-0.003	-0.009	55.537	0.001	0.001	0.000	0.000	0.000	0.000
128	A	131	PRO	0	-0.006	-0.016	53.450	0.000	0.000	0.000	0.000	0.000	0.000
129	A	132	ASP	-1	-0.939	-0.990	47.606	-0.010	-0.010	0.000	0.000	0.000	0.000
130	A	133	ALA	0	0.005	0.031	48.531	-0.001	-0.001	0.000	0.000	0.000	0.000
131	A	134	THR	0	0.046	0.012	47.691	-0.001	-0.001	0.000	0.000	0.000	0.000
132	A	135	GLY	0	0.064	0.027	50.479	0.001	0.001	0.000	0.000	0.000	0.000
133	A	136	VAL	0	0.016	0.000	45.943	0.001	0.001	0.000	0.000	0.000	0.000
134	A	137	GLY	0	0.004	-0.001	48.710	0.001	0.001	0.000	0.000	0.000	0.000
135	A	138	TRP	0	-0.021	-0.002	49.667	0.002	0.002	0.000	0.000	0.000	0.000
136	A	139	ILE	0	-0.020	-0.010	47.921	-0.001	-0.001	0.000	0.000	0.000	0.000
137	A	140	TYR	0	0.000	-0.008	51.619	0.000	0.000	0.000	0.000	0.000	0.000
138	A	141	GLU	-1	-0.896	-0.958	54.558	-0.009	-0.009	0.000	0.000	0.000	0.000
139	A	142	TYR	0	-0.037	-0.036	58.011	0.001	0.001	0.000	0.000	0.000	0.000
140	A	143	ALA	0	0.021	0.005	61.343	-0.001	-0.001	0.000	0.000	0.000	0.000
141	A	144	LEU	0	-0.046	-0.024	65.114	0.001	0.001	0.000	0.000	0.000	0.000
142	A	145	VAL	0	0.002	-0.007	67.916	-0.001	-0.001	0.000	0.000	0.000	0.000
143	A	146	ASP	-1	-0.681	-0.834	70.743	0.002	0.002	0.000	0.000	0.000	0.000
144	A	147	ARG	1	0.934	0.956	71.978	0.001	0.001	0.000	0.000	0.000	0.000
145	A	148	SER	0	-0.111	-0.066	75.481	0.000	0.000	0.000	0.000	0.000	0.000
146	A	149	GLY	0	-0.008	-0.005	77.718	0.000	0.000	0.000	0.000	0.000	0.000
147	A	150	LYS	1	0.868	0.944	78.565	-0.003	-0.003	0.000	0.000	0.000	0.000
148	A	151	HIS	0	-0.015	0.002	75.454	0.000	0.000	0.000	0.000	0.000	0.000
149	A	152	ASP	-1	-0.828	-0.907	76.674	-0.002	-0.002	0.000	0.000	0.000	0.000
150	A	153	LEU	0	0.012	-0.022	72.763	0.000	0.000	0.000	0.000	0.000	0.000
151	A	154	ALA	0	-0.040	-0.015	73.703	0.000	0.000	0.000	0.000	0.000	0.000
152	A	155	ASP	-1	-0.846	-0.926	74.547	0.000	0.000	0.000	0.000	0.000	0.000
153	A	156	LEU	0	-0.033	-0.019	70.838	0.000	0.000	0.000	0.000	0.000	0.000
154	A	157	ARG	1	0.836	0.909	67.699	0.005	0.005	0.000	0.000	0.000	0.000
155	A	158	SER	0	-0.009	0.013	69.749	0.000	0.000	0.000	0.000	0.000	0.000
156	A	159	LEU	0	0.014	0.025	68.568	0.000	0.000	0.000	0.000	0.000	0.000
157	A	160	GLN	0	0.060	0.051	62.382	0.001	0.001	0.000	0.000	0.000	0.000
158	A	161	ASP	-1	-0.834	-0.895	65.704	-0.003	-0.003	0.000	0.000	0.000	0.000
159	A	162	TRP	0	-0.038	-0.021	66.666	0.000	0.000	0.000	0.000	0.000	0.000
160	A	163	PHE	0	-0.004	0.013	66.815	0.001	0.001	0.000	0.000	0.000	0.000
161	A	164	LEU	0	0.043	0.019	63.270	0.001	0.001	0.000	0.000	0.000	0.000
162	A	165	LYS	1	0.928	0.970	61.569	0.003	0.003	0.000	0.000	0.000	0.000
163	A	166	TYR	0	-0.067	-0.048	60.666	0.000	0.000	0.000	0.000	0.000	0.000
164	A	167	GLU	-1	-0.866	-0.918	60.934	0.008	0.008	0.000	0.000	0.000	0.000
165	A	168	LEU	0	-0.008	-0.007	57.499	0.001	0.001	0.000	0.000	0.000	0.000
166	A	169	LYS	1	0.950	0.981	56.049	0.000	0.000	0.000	0.000	0.000	0.000
167	A	170	THR	0	-0.061	-0.021	55.429	0.001	0.001	0.000	0.000	0.000	0.000
168	A	171	ILE	0	-0.041	-0.011	51.390	0.001	0.001	0.000	0.000	0.000	0.000
169	A	172	PRO	0	0.042	0.014	48.492	-0.001	-0.001	0.000	0.000	0.000	0.000
170	A	173	ASP	-1	-0.897	-0.968	45.644	0.006	0.006	0.000	0.000	0.000	0.000
171	A	174	VAL	0	0.012	0.018	48.213	-0.002	-0.002	0.000	0.000	0.000	0.000
172	A	175	ALA	0	-0.114	-0.051	50.808	0.000	0.000	0.000	0.000	0.000	0.000
173	A	176	GLU	-1	-0.861	-0.915	52.561	-0.007	-0.007	0.000	0.000	0.000	0.000
174	A	177	VAL	0	0.002	0.022	55.786	0.000	0.000	0.000	0.000	0.000	0.000
175	A	178	ALA	0	-0.026	-0.008	58.444	0.000	0.000	0.000	0.000	0.000	0.000
176	A	179	SER	0	-0.001	-0.022	60.662	0.000	0.000	0.000	0.000	0.000	0.000
177	A	180	VAL	0	0.000	0.001	62.420	-0.001	-0.001	0.000	0.000	0.000	0.000
178	A	181	GLY	0	0.029	0.036	64.774	0.000	0.000	0.000	0.000	0.000	0.000
179	A	182	GLY	0	0.044	0.005	68.291	0.001	0.001	0.000	0.000	0.000	0.000
180	A	183	VAL	0	-0.068	-0.028	71.294	-0.001	-0.001	0.000	0.000	0.000	0.000
181	A	184	VAL	0	0.033	0.015	71.654	0.001	0.001	0.000	0.000	0.000	0.000
182	A	185	LYS	1	0.859	0.938	74.345	0.000	0.000	0.000	0.000	0.000	0.000
183	A	186	GLU	-1	-0.837	-0.938	77.530	-0.005	-0.005	0.000	0.000	0.000	0.000
184	A	187	TYR	0	-0.055	-0.038	79.634	0.000	0.000	0.000	0.000	0.000	0.000
185	A	188	GLN	0	0.016	0.015	81.816	0.000	0.000	0.000	0.000	0.000	0.000
186	A	189	VAL	0	0.006	0.002	84.639	0.000	0.000	0.000	0.000	0.000	0.000
187	A	190	VAL	0	-0.014	-0.008	87.764	0.000	0.000	0.000	0.000	0.000	0.000
188	A	191	ILE	0	-0.010	-0.021	89.551	0.000	0.000	0.000	0.000	0.000	0.000
189	A	192	ASP	-1	-0.831	-0.942	92.232	-0.005	-0.005	0.000	0.000	0.000	0.000
190	A	193	PRO	0	0.008	-0.008	94.083	0.000	0.000	0.000	0.000	0.000	0.000
191	A	194	GLN	0	-0.022	-0.019	96.321	0.000	0.000	0.000	0.000	0.000	0.000
192	A	195	ARG	1	0.900	0.972	98.214	0.003	0.003	0.000	0.000	0.000	0.000
193	A	196	LEU	0	0.024	0.025	93.781	0.000	0.000	0.000	0.000	0.000	0.000
194	A	197	ALA	0	-0.001	0.008	98.439	0.000	0.000	0.000	0.000	0.000	0.000
195	A	198	GLN	0	-0.060	-0.026	101.475	0.000	0.000	0.000	0.000	0.000	0.000
196	A	199	TYR	0	-0.014	-0.003	100.677	0.000	0.000	0.000	0.000	0.000	0.000
197	A	200	GLY	0	-0.044	-0.012	101.866	0.000	0.000	0.000	0.000	0.000	0.000
198	A	201	ILE	0	-0.055	-0.032	95.788	0.000	0.000	0.000	0.000	0.000	0.000
199	A	202	SER	0	-0.011	-0.001	94.785	0.000	0.000	0.000	0.000	0.000	0.000
200	A	203	LEU	0	0.063	0.008	88.610	0.000	0.000	0.000	0.000	0.000	0.000
201	A	204	ALA	0	0.025	0.005	89.582	0.000	0.000	0.000	0.000	0.000	0.000
202	A	205	GLU	-1	-0.879	-0.947	90.208	-0.004	-0.004	0.000	0.000	0.000	0.000
203	A	206	VAL	0	0.004	0.006	89.677	0.000	0.000	0.000	0.000	0.000	0.000
204	A	207	LYS	1	0.950	0.971	82.873	0.006	0.006	0.000	0.000	0.000	0.000
205	A	208	SER	0	-0.029	-0.018	86.879	0.000	0.000	0.000	0.000	0.000	0.000
206	A	209	ALA	0	0.005	0.012	88.437	0.000	0.000	0.000	0.000	0.000	0.000
207	A	210	LEU	0	-0.028	-0.012	84.781	0.000	0.000	0.000	0.000	0.000	0.000
208	A	211	ASP	-1	-0.924	-0.972	82.672	-0.004	-0.004	0.000	0.000	0.000	0.000
209	A	212	ALA	0	-0.086	-0.011	84.687	0.000	0.000	0.000	0.000	0.000	0.000
210	A	213	SER	0	-0.045	-0.039	86.614	0.000	0.000	0.000	0.000	0.000	0.000
211	A	214	ASN	0	0.020	0.003	80.583	0.001	0.001	0.000	0.000	0.000	0.000
212	A	215	GLN	0	0.015	0.008	81.613	0.000	0.000	0.000	0.000	0.000	0.000
213	A	216	GLU	-1	-0.853	-0.903	81.110	0.002	0.002	0.000	0.000	0.000	0.000
214	A	217	ALA	0	-0.032	-0.016	82.225	0.000	0.000	0.000	0.000	0.000	0.000
215	A	218	GLY	0	0.002	0.002	82.487	0.000	0.000	0.000	0.000	0.000	0.000
216	A	219	GLY	0	-0.019	-0.020	83.456	0.000	0.000	0.000	0.000	0.000	0.000
217	A	220	SER	0	-0.042	-0.016	83.169	0.000	0.000	0.000	0.000	0.000	0.000
218	A	221	SER	0	0.026	0.001	83.166	0.000	0.000	0.000	0.000	0.000	0.000
219	A	222	ILE	0	-0.017	-0.014	85.579	0.000	0.000	0.000	0.000	0.000	0.000
220	A	223	GLU	-1	-0.918	-0.947	88.236	0.007	0.007	0.000	0.000	0.000	0.000
221	A	224	LEU	0	-0.055	-0.030	89.242	0.000	0.000	0.000	0.000	0.000	0.000
222	A	225	ALA	0	-0.024	-0.023	89.807	0.000	0.000	0.000	0.000	0.000	0.000
223	A	226	GLU	-1	-0.948	-0.967	87.666	0.009	0.009	0.000	0.000	0.000	0.000
224	A	227	ALA	0	-0.017	0.007	85.454	0.000	0.000	0.000	0.000	0.000	0.000
225	A	228	GLU	-1	-0.929	-0.976	80.989	0.006	0.006	0.000	0.000	0.000	0.000
226	A	229	TYR	0	-0.059	-0.027	84.241	0.000	0.000	0.000	0.000	0.000	0.000
227	A	230	MET	0	0.013	0.001	79.927	0.000	0.000	0.000	0.000	0.000	0.000
228	A	231	VAL	0	-0.019	0.006	84.342	0.000	0.000	0.000	0.000	0.000	0.000
229	A	232	ARG	1	0.878	0.937	80.199	-0.004	-0.004	0.000	0.000	0.000	0.000
230	A	233	ALA	0	-0.025	-0.008	85.241	0.000	0.000	0.000	0.000	0.000	0.000
231	A	234	SER	0	-0.002	-0.012	85.273	0.000	0.000	0.000	0.000	0.000	0.000
232	A	235	GLY	0	0.056	0.009	86.431	0.000	0.000	0.000	0.000	0.000	0.000
233	A	236	TYR	0	-0.023	-0.004	77.885	0.000	0.000	0.000	0.000	0.000	0.000
234	A	237	LEU	0	-0.005	-0.003	83.803	0.000	0.000	0.000	0.000	0.000	0.000
235	A	238	GLN	0	-0.027	-0.008	83.067	0.000	0.000	0.000	0.000	0.000	0.000
236	A	239	THR	0	-0.034	0.007	84.483	0.000	0.000	0.000	0.000	0.000	0.000
237	A	240	LEU	0	0.008	-0.008	86.563	0.000	0.000	0.000	0.000	0.000	0.000
238	A	241	ASP	-1	-0.857	-0.952	89.018	0.000	0.000	0.000	0.000	0.000	0.000
239	A	242	ASP	-1	-0.870	-0.935	88.260	0.000	0.000	0.000	0.000	0.000	0.000
240	A	243	PHE	0	-0.005	-0.009	83.607	0.000	0.000	0.000	0.000	0.000	0.000
241	A	244	ASN	0	-0.022	-0.024	89.673	-0.001	-0.001	0.000	0.000	0.000	0.000
242	A	245	HIS	0	-0.067	-0.041	93.147	0.000	0.000	0.000	0.000	0.000	0.000
243	A	246	ILE	0	0.033	0.035	88.594	0.000	0.000	0.000	0.000	0.000	0.000
244	A	247	VAL	0	-0.026	-0.019	92.802	0.000	0.000	0.000	0.000	0.000	0.000
245	A	248	LEU	0	0.006	0.002	93.378	0.000	0.000	0.000	0.000	0.000	0.000
246	A	249	LYS	1	0.931	0.965	96.394	0.003	0.003	0.000	0.000	0.000	0.000
247	A	250	ALA	0	0.013	0.007	99.856	0.000	0.000	0.000	0.000	0.000	0.000
248	A	251	SER	0	-0.047	-0.005	102.675	0.000	0.000	0.000	0.000	0.000	0.000
249	A	252	GLU	-1	-0.883	-0.956	106.288	-0.002	-0.002	0.000	0.000	0.000	0.000
250	A	253	ASN	0	-0.040	-0.028	108.560	0.000	0.000	0.000	0.000	0.000	0.000
251	A	254	GLY	0	0.009	0.028	105.689	0.000	0.000	0.000	0.000	0.000	0.000
252	A	255	VAL	0	-0.075	-0.033	105.279	0.000	0.000	0.000	0.000	0.000	0.000
253	A	256	PRO	0	0.021	-0.003	100.624	0.000	0.000	0.000	0.000	0.000	0.000
254	A	257	VAL	0	-0.047	-0.017	99.275	0.000	0.000	0.000	0.000	0.000	0.000
255	A	258	TYR	0	-0.003	-0.010	96.321	0.000	0.000	0.000	0.000	0.000	0.000
256	A	259	LEU	0	0.036	0.022	90.566	0.000	0.000	0.000	0.000	0.000	0.000
257	A	260	ARG	1	0.923	0.962	94.561	0.001	0.001	0.000	0.000	0.000	0.000
258	A	261	ASP	-1	-0.898	-0.938	96.061	-0.002	-0.002	0.000	0.000	0.000	0.000
259	A	262	VAL	0	-0.034	-0.035	94.573	0.000	0.000	0.000	0.000	0.000	0.000
260	A	263	ALA	0	-0.015	-0.008	92.054	0.000	0.000	0.000	0.000	0.000	0.000
261	A	264	LYS	1	0.961	1.006	91.808	0.003	0.003	0.000	0.000	0.000	0.000
262	A	265	VAL	0	0.040	0.013	87.714	0.000	0.000	0.000	0.000	0.000	0.000
263	A	266	GLN	0	-0.106	-0.050	86.097	0.000	0.000	0.000	0.000	0.000	0.000
264	A	267	ILE	0	0.018	0.009	82.170	0.000	0.000	0.000	0.000	0.000	0.000
265	A	268	GLY	0	-0.019	-0.006	82.603	0.000	0.000	0.000	0.000	0.000	0.000
266	A	269	PRO	0	-0.042	-0.020	78.119	0.000	0.000	0.000	0.000	0.000	0.000
267	A	270	GLU	-1	-0.827	-0.905	73.437	-0.006	-0.006	0.000	0.000	0.000	0.000
268	A	271	MET	0	-0.083	-0.049	73.768	0.000	0.000	0.000	0.000	0.000	0.000
269	A	272	ARG	1	0.915	0.950	72.487	0.006	0.006	0.000	0.000	0.000	0.000
270	A	273	ARG	1	0.905	0.937	67.994	0.007	0.007	0.000	0.000	0.000	0.000
271	A	274	GLY	0	0.019	0.012	67.288	-0.001	-0.001	0.000	0.000	0.000	0.000
272	A	275	ILE	0	-0.085	-0.037	68.132	0.001	0.001	0.000	0.000	0.000	0.000
273	A	276	ALA	0	0.018	0.015	66.463	-0.001	-0.001	0.000	0.000	0.000	0.000
274	A	277	GLU	-1	-0.806	-0.905	67.413	-0.007	-0.007	0.000	0.000	0.000	0.000
275	A	278	LEU	0	0.016	0.012	65.329	0.000	0.000	0.000	0.000	0.000	0.000
276	A	279	ASN	0	0.037	-0.007	65.952	0.000	0.000	0.000	0.000	0.000	0.000
277	A	280	GLY	0	0.027	0.017	68.213	0.000	0.000	0.000	0.000	0.000	0.000
278	A	281	GLU	-1	-1.038	-1.027	71.063	-0.004	-0.004	0.000	0.000	0.000	0.000
279	A	282	GLY	0	-0.033	-0.024	72.957	0.001	0.001	0.000	0.000	0.000	0.000
280	A	283	GLU	-1	-0.896	-0.936	71.743	-0.006	-0.006	0.000	0.000	0.000	0.000
281	A	284	VAL	0	-0.031	-0.021	67.818	0.001	0.001	0.000	0.000	0.000	0.000
282	A	285	ALA	0	0.019	0.003	68.832	-0.001	-0.001	0.000	0.000	0.000	0.000
283	A	286	GLY	0	0.038	0.015	64.673	0.001	0.001	0.000	0.000	0.000	0.000
284	A	287	GLY	0	-0.027	-0.012	62.140	0.000	0.000	0.000	0.000	0.000	0.000
285	A	288	VAL	0	-0.005	0.011	57.283	0.000	0.000	0.000	0.000	0.000	0.000
286	A	289	VAL	0	-0.004	-0.009	53.157	0.000	0.000	0.000	0.000	0.000	0.000
287	A	290	ILE	0	-0.006	-0.007	52.006	-0.001	-0.001	0.000	0.000	0.000	0.000
288	A	291	LEU	0	-0.030	-0.019	45.611	0.001	0.001	0.000	0.000	0.000	0.000
289	A	292	ARG	1	0.893	0.942	46.060	-0.001	-0.001	0.000	0.000	0.000	0.000
290	A	293	SER	0	0.051	-0.002	44.380	0.000	0.000	0.000	0.000	0.000	0.000
291	A	294	GLY	0	0.035	0.038	41.372	-0.001	-0.001	0.000	0.000	0.000	0.000
292	A	295	LYS	1	0.860	0.935	41.103	0.000	0.000	0.000	0.000	0.000	0.000
293	A	296	ASN	0	0.022	0.009	40.514	0.000	0.000	0.000	0.000	0.000	0.000
294	A	297	ALA	0	0.099	0.051	43.251	0.001	0.001	0.000	0.000	0.000	0.000
295	A	298	ARG	1	0.846	0.926	43.616	-0.006	-0.006	0.000	0.000	0.000	0.000
296	A	299	GLU	-1	-0.915	-0.969	43.588	0.016	0.016	0.000	0.000	0.000	0.000
297	A	300	VAL	0	0.006	0.010	45.611	0.001	0.001	0.000	0.000	0.000	0.000
298	A	301	ILE	0	-0.051	-0.040	48.767	0.001	0.001	0.000	0.000	0.000	0.000
299	A	302	ALA	0	-0.033	-0.003	48.552	0.000	0.000	0.000	0.000	0.000	0.000
300	A	303	ALA	0	0.070	0.036	50.420	0.000	0.000	0.000	0.000	0.000	0.000
301	A	304	VAL	0	-0.023	-0.018	52.263	0.000	0.000	0.000	0.000	0.000	0.000
302	A	305	LYS	1	0.866	0.929	52.271	-0.004	-0.004	0.000	0.000	0.000	0.000
303	A	306	ASP	-1	-0.910	-0.943	53.927	0.014	0.014	0.000	0.000	0.000	0.000
304	A	307	LYS	1	0.869	0.934	55.937	-0.008	-0.008	0.000	0.000	0.000	0.000
305	A	308	LEU	0	-0.008	-0.022	58.092	0.000	0.000	0.000	0.000	0.000	0.000
306	A	309	GLU	-1	-0.925	-0.953	58.548	0.008	0.008	0.000	0.000	0.000	0.000
307	A	310	THR	0	-0.076	-0.031	59.710	0.000	0.000	0.000	0.000	0.000	0.000
308	A	311	LEU	0	-0.048	-0.025	62.171	0.000	0.000	0.000	0.000	0.000	0.000
309	A	312	LYS	1	0.959	0.981	63.999	-0.005	-0.005	0.000	0.000	0.000	0.000
310	A	313	SER	0	-0.026	0.001	66.068	0.000	0.000	0.000	0.000	0.000	0.000
311	A	314	SER	0	-0.039	-0.031	67.206	0.000	0.000	0.000	0.000	0.000	0.000
312	A	315	LEU	0	-0.051	-0.005	66.036	-0.001	-0.001	0.000	0.000	0.000	0.000
313	A	316	PRO	0	0.027	0.019	69.913	0.000	0.000	0.000	0.000	0.000	0.000
314	A	317	GLU	-1	-0.919	-0.967	72.645	0.005	0.005	0.000	0.000	0.000	0.000
315	A	318	GLY	0	-0.044	-0.017	73.781	0.000	0.000	0.000	0.000	0.000	0.000
316	A	319	VAL	0	-0.021	0.001	69.231	-0.001	-0.001	0.000	0.000	0.000	0.000
317	A	320	GLU	-1	-0.978	-0.989	66.943	0.002	0.002	0.000	0.000	0.000	0.000
318	A	321	ILE	0	-0.021	-0.014	62.130	-0.001	-0.001	0.000	0.000	0.000	0.000
319	A	322	VAL	0	0.002	0.010	63.451	0.000	0.000	0.000	0.000	0.000	0.000
320	A	323	THR	0	-0.043	-0.020	57.543	-0.001	-0.001	0.000	0.000	0.000	0.000
321	A	324	THR	0	-0.003	-0.040	59.839	0.000	0.000	0.000	0.000	0.000	0.000
322	A	325	TYR	0	0.007	0.008	50.841	-0.001	-0.001	0.000	0.000	0.000	0.000
323	A	326	ASP	-1	-0.725	-0.864	51.959	0.001	0.001	0.000	0.000	0.000	0.000
324	A	327	ARG	1	0.910	0.977	46.585	0.011	0.011	0.000	0.000	0.000	0.000
325	A	328	SER	0	-0.057	-0.055	47.516	0.000	0.000	0.000	0.000	0.000	0.000
326	A	329	GLN	0	0.077	0.036	47.361	-0.001	-0.001	0.000	0.000	0.000	0.000
327	A	330	LEU	0	-0.024	-0.016	45.079	0.000	0.000	0.000	0.000	0.000	0.000
328	A	331	ILE	0	-0.028	-0.008	42.171	-0.001	-0.001	0.000	0.000	0.000	0.000
329	A	332	ASP	-1	-0.790	-0.882	42.613	0.005	0.005	0.000	0.000	0.000	0.000
330	A	333	ARG	1	0.927	0.961	43.300	0.008	0.008	0.000	0.000	0.000	0.000
331	A	334	ALA	0	-0.041	-0.026	40.881	-0.001	-0.001	0.000	0.000	0.000	0.000
332	A	335	ILE	0	-0.035	-0.018	36.713	-0.002	-0.002	0.000	0.000	0.000	0.000
333	A	336	ASP	-1	-0.864	-0.914	38.425	0.009	0.009	0.000	0.000	0.000	0.000
334	A	337	ASN	0	-0.054	-0.025	39.062	0.001	0.001	0.000	0.000	0.000	0.000
335	A	338	LEU	0	-0.049	-0.024	33.777	-0.001	-0.001	0.000	0.000	0.000	0.000
336	A	339	SER	0	-0.026	-0.010	34.721	0.002	0.002	0.000	0.000	0.000	0.000
337	A	340	GLY	0	0.016	0.009	35.055	0.002	0.002	0.000	0.000	0.000	0.000
338	A	341	LYS	1	0.953	0.971	34.101	0.014	0.014	0.000	0.000	0.000	0.000
339	A	342	LEU	0	0.022	0.032	29.572	0.000	0.000	0.000	0.000	0.000	0.000
340	A	343	LEU	0	-0.045	-0.015	31.229	0.003	0.003	0.000	0.000	0.000	0.000
341	A	344	GLU	-1	-0.923	-0.974	33.163	-0.003	-0.003	0.000	0.000	0.000	0.000
342	A	345	GLU	-1	-0.838	-0.941	29.642	-0.020	-0.020	0.000	0.000	0.000	0.000
343	A	346	PHE	0	-0.050	-0.021	26.928	0.002	0.002	0.000	0.000	0.000	0.000
344	A	347	ILE	0	-0.021	-0.017	29.337	0.003	0.003	0.000	0.000	0.000	0.000
345	A	348	VAL	0	-0.010	0.007	31.114	0.000	0.000	0.000	0.000	0.000	0.000
346	A	349	VAL	0	0.009	-0.005	25.229	-0.003	-0.003	0.000	0.000	0.000	0.000
347	A	350	ALA	0	-0.009	-0.003	27.515	0.001	0.001	0.000	0.000	0.000	0.000
348	A	351	VAL	0	0.014	0.001	28.524	0.002	0.002	0.000	0.000	0.000	0.000
349	A	352	VAL	0	0.030	0.013	27.561	-0.001	-0.001	0.000	0.000	0.000	0.000
350	A	353	CYS	0	-0.079	-0.036	24.153	-0.001	-0.001	0.000	0.000	0.000	0.000
351	A	354	ALA	0	-0.004	-0.005	25.694	0.009	0.009	0.000	0.000	0.000	0.000
352	A	355	LEU	0	-0.043	-0.008	28.391	0.002	0.002	0.000	0.000	0.000	0.000
353	A	356	PHE	0	-0.080	-0.031	25.951	-0.006	-0.006	0.000	0.000	0.000	0.000
354	A	357	LEU	0	-0.012	-0.005	21.362	-0.001	-0.001	0.000	0.000	0.000	0.000
355	A	358	TRP	0	0.039	0.022	25.815	0.004	0.004	0.000	0.000	0.000	0.000
356	A	359	HIS	0	-0.012	0.018	24.613	0.013	0.013	0.000	0.000	0.000	0.000
357	A	360	VAL	0	0.115	0.034	26.666	0.000	0.000	0.000	0.000	0.000	0.000
358	A	361	ARG	1	0.916	0.960	24.424	-0.146	-0.146	0.000	0.000	0.000	0.000
359	A	362	SER	0	0.003	-0.004	22.113	0.015	0.015	0.000	0.000	0.000	0.000
360	A	363	ALA	0	0.039	0.024	22.386	-0.001	-0.001	0.000	0.000	0.000	0.000
361	A	364	LEU	0	-0.012	-0.027	24.633	-0.003	-0.003	0.000	0.000	0.000	0.000
362	A	365	VAL	0	-0.038	-0.002	18.194	0.009	0.009	0.000	0.000	0.000	0.000
363	A	366	ALA	0	-0.013	-0.008	20.326	0.004	0.004	0.000	0.000	0.000	0.000
364	A	367	ILE	0	0.051	0.033	21.288	-0.008	-0.008	0.000	0.000	0.000	0.000
365	A	368	ILE	0	-0.057	-0.027	21.696	-0.003	-0.003	0.000	0.000	0.000	0.000
366	A	369	SER	0	-0.004	-0.016	18.879	0.009	0.009	0.000	0.000	0.000	0.000
367	A	370	LEU	0	-0.010	0.016	20.391	-0.006	-0.006	0.000	0.000	0.000	0.000
368	A	371	PRO	0	0.015	0.020	23.242	-0.001	-0.001	0.000	0.000	0.000	0.000
369	A	372	LEU	0	0.022	0.005	20.281	0.002	0.002	0.000	0.000	0.000	0.000
370	A	373	GLY	0	0.017	0.012	20.305	0.003	0.003	0.000	0.000	0.000	0.000
371	A	374	LEU	0	0.019	-0.002	21.231	-0.007	-0.007	0.000	0.000	0.000	0.000
372	A	375	CYS	0	-0.035	0.014	23.574	-0.002	-0.002	0.000	0.000	0.000	0.000
373	A	376	ILE	0	0.004	0.017	17.873	-0.001	-0.001	0.000	0.000	0.000	0.000
374	A	377	ALA	0	0.030	0.014	22.021	-0.006	-0.006	0.000	0.000	0.000	0.000
375	A	378	PHE	0	0.065	0.012	23.745	-0.007	-0.007	0.000	0.000	0.000	0.000
376	A	379	ILE	0	-0.056	-0.018	23.870	0.000	0.000	0.000	0.000	0.000	0.000
377	A	380	VAL	0	-0.033	-0.005	21.463	-0.001	-0.001	0.000	0.000	0.000	0.000
378	A	381	MET	0	-0.034	-0.026	24.558	-0.008	-0.008	0.000	0.000	0.000	0.000
379	A	382	HIS	0	0.030	0.032	27.771	-0.006	-0.006	0.000	0.000	0.000	0.000
380	A	383	PHE	0	-0.039	-0.025	24.363	0.001	0.001	0.000	0.000	0.000	0.000
381	A	384	GLN	0	-0.063	-0.012	25.672	-0.005	-0.005	0.000	0.000	0.000	0.000
382	A	385	GLY	0	0.025	0.006	28.165	-0.003	-0.003	0.000	0.000	0.000	0.000
383	A	386	LEU	0	-0.095	-0.043	28.040	-0.004	-0.004	0.000	0.000	0.000	0.000
384	A	387	ASN	0	0.020	0.018	31.676	0.003	0.003	0.000	0.000	0.000	0.000
385	A	388	ALA	0	0.025	0.015	33.488	-0.004	-0.004	0.000	0.000	0.000	0.000
386	A	389	ASN	0	0.113	0.044	34.279	-0.003	-0.003	0.000	0.000	0.000	0.000
387	A	390	ILE	0	0.025	0.024	34.458	-0.001	-0.001	0.000	0.000	0.000	0.000
388	A	391	MET	0	-0.014	0.008	33.318	-0.004	-0.004	0.000	0.000	0.000	0.000
389	A	392	SER	0	-0.033	-0.016	30.625	-0.004	-0.004	0.000	0.000	0.000	0.000
390	A	393	LEU	0	0.032	0.003	29.685	0.002	0.002	0.000	0.000	0.000	0.000
391	A	394	GLY	0	0.064	0.017	30.450	0.000	0.000	0.000	0.000	0.000	0.000
392	A	395	GLY	0	-0.014	-0.011	28.092	-0.006	-0.006	0.000	0.000	0.000	0.000
393	A	396	ILE	0	-0.033	-0.032	25.588	-0.003	-0.003	0.000	0.000	0.000	0.000
394	A	397	ALA	0	-0.040	-0.025	26.572	0.001	0.001	0.000	0.000	0.000	0.000
395	A	398	ILE	0	-0.020	0.004	26.470	-0.003	-0.003	0.000	0.000	0.000	0.000
396	A	399	ALA	0	-0.014	-0.019	22.629	-0.007	-0.007	0.000	0.000	0.000	0.000
397	A	400	VAL	0	0.084	0.017	22.829	-0.001	-0.001	0.000	0.000	0.000	0.000
398	A	401	GLY	0	0.007	0.000	23.574	0.004	0.004	0.000	0.000	0.000	0.000
399	A	402	ALA	0	0.006	-0.023	19.917	-0.007	-0.007	0.000	0.000	0.000	0.000
400	A	403	MET	0	-0.042	0.006	18.450	-0.003	-0.003	0.000	0.000	0.000	0.000
401	A	404	VAL	0	-0.001	-0.004	18.274	0.010	0.010	0.000	0.000	0.000	0.000
402	A	405	ASP	-1	-0.872	-0.951	18.853	-0.108	-0.108	0.000	0.000	0.000	0.000
403	A	406	ALA	0	0.003	0.016	14.269	-0.014	-0.014	0.000	0.000	0.000	0.000
404	A	407	ALA	0	-0.016	-0.012	14.687	0.000	0.000	0.000	0.000	0.000	0.000
405	A	408	ILE	0	-0.001	0.004	16.224	0.011	0.011	0.000	0.000	0.000	0.000
406	A	409	VAL	0	0.040	0.034	15.054	0.006	0.006	0.000	0.000	0.000	0.000
407	A	410	MET	0	-0.020	-0.001	9.925	0.005	0.005	0.000	0.000	0.000	0.000
408	A	411	ILE	0	0.022	-0.024	14.028	0.029	0.029	0.000	0.000	0.000	0.000
409	A	412	GLU	-1	-0.923	-0.979	16.754	-0.032	-0.032	0.000	0.000	0.000	0.000
410	A	413	ASN	0	-0.018	-0.004	13.892	0.013	0.013	0.000	0.000	0.000	0.000
411	A	414	ALA	0	0.046	-0.002	15.107	0.016	0.016	0.000	0.000	0.000	0.000
412	A	415	HIS	0	-0.037	-0.016	16.370	0.016	0.016	0.000	0.000	0.000	0.000
413	A	416	LYS	1	0.951	0.990	19.471	0.008	0.008	0.000	0.000	0.000	0.000
414	A	417	ARG	1	0.883	0.927	14.729	0.030	0.030	0.000	0.000	0.000	0.000
415	A	418	LEU	0	0.012	-0.012	18.072	0.029	0.029	0.000	0.000	0.000	0.000
416	A	419	GLU	-1	-0.935	-0.949	20.240	0.055	0.055	0.000	0.000	0.000	0.000
417	A	420	GLU	-1	-0.964	-0.977	17.976	0.027	0.027	0.000	0.000	0.000	0.000
418	A	421	TRP	0	-0.011	-0.015	17.215	0.018	0.018	0.000	0.000	0.000	0.000
419	A	422	GLN	0	-0.031	-0.029	22.105	-0.002	-0.002	0.000	0.000	0.000	0.000
420	A	423	HIS	0	-0.038	-0.004	25.247	-0.010	-0.010	0.000	0.000	0.000	0.000
421	A	424	GLN	0	-0.074	-0.029	21.747	0.009	0.009	0.000	0.000	0.000	0.000
422	A	425	HIS	0	-0.043	-0.013	22.189	0.021	0.021	0.000	0.000	0.000	0.000
423	A	426	PRO	0	-0.029	-0.003	26.628	-0.010	-0.010	0.000	0.000	0.000	0.000
424	A	427	ASP	-1	-0.753	-0.884	27.810	0.084	0.084	0.000	0.000	0.000	0.000
425	A	428	ALA	0	-0.074	-0.034	29.745	0.002	0.002	0.000	0.000	0.000	0.000
426	A	429	THR	0	-0.042	-0.038	27.838	0.003	0.003	0.000	0.000	0.000	0.000
427	A	430	LEU	0	0.008	0.003	23.630	0.008	0.008	0.000	0.000	0.000	0.000
428	A	431	ASP	-1	-0.795	-0.890	23.384	0.267	0.267	0.000	0.000	0.000	0.000
429	A	432	ASN	0	-0.065	-0.060	21.896	0.041	0.041	0.000	0.000	0.000	0.000
430	A	433	LYS	1	0.986	0.982	15.534	-0.583	-0.583	0.000	0.000	0.000	0.000
431	A	434	THR	0	-0.002	0.004	18.062	0.046	0.046	0.000	0.000	0.000	0.000
432	A	435	ARG	1	0.967	1.002	19.239	-0.272	-0.272	0.000	0.000	0.000	0.000
433	A	436	TRP	0	-0.031	-0.006	12.529	-0.057	-0.057	0.000	0.000	0.000	0.000
434	A	437	GLN	0	-0.040	-0.031	12.081	0.133	0.133	0.000	0.000	0.000	0.000
435	A	438	VAL	0	0.052	0.041	13.454	0.028	0.028	0.000	0.000	0.000	0.000
436	A	439	ILE	0	0.012	0.013	13.586	-0.034	-0.034	0.000	0.000	0.000	0.000
437	A	440	THR	0	-0.018	-0.017	8.584	-0.013	-0.013	0.000	0.000	0.000	0.000
438	A	441	ASP	-1	-0.861	-0.956	8.938	0.810	0.810	0.000	0.000	0.000	0.000
439	A	442	ALA	0	-0.030	-0.001	10.967	-0.139	-0.139	0.000	0.000	0.000	0.000
440	A	443	SER	0	-0.044	-0.027	7.719	-0.106	-0.106	0.000	0.000	0.000	0.000
441	A	444	VAL	0	-0.091	-0.021	6.403	-0.169	-0.169	0.000	0.000	0.000	0.000
442	A	445	GLU	-1	-0.895	-0.948	7.070	-1.404	-1.404	0.000	0.000	0.000	0.000
443	A	446	VAL	0	0.063	0.023	9.079	-0.235	-0.235	0.000	0.000	0.000	0.000
444	A	447	GLY	0	0.000	0.015	6.621	0.038	0.038	0.000	0.000	0.000	0.000
445	A	448	PRO	0	-0.059	-0.039	4.985	0.113	0.113	0.000	0.000	0.000	0.000
446	A	449	ALA	0	0.000	-0.002	7.374	0.166	0.166	0.000	0.000	0.000	0.000
447	A	450	LEU	0	0.115	0.059	10.689	0.053	0.053	0.000	0.000	0.000	0.000
448	A	451	PHE	0	-0.010	0.011	7.515	0.065	0.065	0.000	0.000	0.000	0.000
449	A	452	ILE	0	-0.001	-0.017	7.448	0.062	0.062	0.000	0.000	0.000	0.000
450	A	453	SER	0	0.036	0.024	10.662	-0.029	-0.029	0.000	0.000	0.000	0.000
451	A	454	LEU	0	0.021	0.005	12.944	0.023	0.023	0.000	0.000	0.000	0.000
452	A	455	LEU	0	-0.029	-0.019	10.432	0.008	0.008	0.000	0.000	0.000	0.000
453	A	456	ILE	0	0.035	0.006	13.524	-0.013	-0.013	0.000	0.000	0.000	0.000
454	A	457	ILE	0	0.003	0.013	16.147	0.009	0.009	0.000	0.000	0.000	0.000
455	A	458	THR	0	-0.084	-0.032	15.931	0.015	0.015	0.000	0.000	0.000	0.000
456	A	459	LEU	0	0.032	0.024	13.887	0.002	0.002	0.000	0.000	0.000	0.000
457	A	460	SER	0	-0.099	-0.047	17.893	0.006	0.006	0.000	0.000	0.000	0.000
458	A	461	PHE	0	0.098	0.023	20.504	0.007	0.007	0.000	0.000	0.000	0.000
459	A	462	ILE	0	0.043	0.030	18.457	0.010	0.010	0.000	0.000	0.000	0.000
460	A	463	PRO	0	0.003	-0.008	21.776	0.011	0.011	0.000	0.000	0.000	0.000
461	A	464	ILE	0	0.067	0.031	24.827	0.006	0.006	0.000	0.000	0.000	0.000
462	A	465	PHE	0	-0.045	-0.029	22.782	0.006	0.006	0.000	0.000	0.000	0.000
463	A	466	THR	0	-0.106	-0.064	26.495	0.005	0.005	0.000	0.000	0.000	0.000
464	A	467	LEU	0	-0.033	-0.019	28.998	0.002	0.002	0.000	0.000	0.000	0.000
465	A	468	GLU	-1	-0.861	-0.932	32.193	-0.071	-0.071	0.000	0.000	0.000	0.000
466	A	469	GLY	0	0.027	0.027	34.770	0.001	0.001	0.000	0.000	0.000	0.000
467	A	470	GLN	0	0.022	0.003	36.730	0.000	0.000	0.000	0.000	0.000	0.000
468	A	471	GLU	-1	-0.838	-0.946	35.603	-0.056	-0.056	0.000	0.000	0.000	0.000
469	A	472	GLY	0	0.008	0.001	32.847	-0.001	-0.001	0.000	0.000	0.000	0.000
470	A	473	ARG	1	0.785	0.895	32.624	0.038	0.038	0.000	0.000	0.000	0.000
471	A	474	LEU	0	-0.025	0.004	34.900	0.004	0.004	0.000	0.000	0.000	0.000
472	A	475	PHE	0	0.012	-0.023	31.478	0.003	0.003	0.000	0.000	0.000	0.000
473	A	476	GLY	0	0.069	0.053	29.788	-0.004	-0.004	0.000	0.000	0.000	0.000
474	A	477	PRO	0	-0.011	-0.031	28.649	-0.001	-0.001	0.000	0.000	0.000	0.000
475	A	478	LEU	0	0.028	0.028	28.348	0.002	0.002	0.000	0.000	0.000	0.000
476	A	479	ALA	0	0.005	-0.004	25.776	-0.001	-0.001	0.000	0.000	0.000	0.000
477	A	480	PHE	0	-0.006	0.005	24.277	-0.002	-0.002	0.000	0.000	0.000	0.000
478	A	481	THR	0	0.011	0.001	23.563	0.000	0.000	0.000	0.000	0.000	0.000
479	A	482	LYS	1	0.871	0.967	21.627	0.102	0.102	0.000	0.000	0.000	0.000
480	A	483	THR	0	-0.064	-0.037	19.093	-0.009	-0.009	0.000	0.000	0.000	0.000
481	A	484	TYR	0	-0.009	-0.023	19.253	0.003	0.003	0.000	0.000	0.000	0.000
482	A	485	ALA	0	0.038	0.024	19.496	0.015	0.015	0.000	0.000	0.000	0.000
483	A	486	MET	0	-0.050	-0.002	17.236	0.010	0.010	0.000	0.000	0.000	0.000
484	A	487	ALA	0	0.017	0.006	15.034	0.013	0.013	0.000	0.000	0.000	0.000
485	A	488	GLY	0	0.026	0.000	14.665	0.027	0.027	0.000	0.000	0.000	0.000
486	A	489	ALA	0	0.028	0.007	15.541	0.027	0.027	0.000	0.000	0.000	0.000
487	A	490	ALA	0	-0.028	-0.018	11.864	0.011	0.011	0.000	0.000	0.000	0.000
488	A	491	LEU	0	-0.067	-0.029	10.041	0.033	0.033	0.000	0.000	0.000	0.000
489	A	492	LEU	0	0.064	0.020	11.974	0.054	0.054	0.000	0.000	0.000	0.000
490	A	493	ALA	0	0.018	-0.005	11.857	0.044	0.044	0.000	0.000	0.000	0.000
491	A	494	ILE	0	-0.001	-0.003	4.874	0.014	0.014	0.000	0.000	0.000	0.000
492	A	495	VAL	0	-0.049	-0.011	8.985	0.129	0.129	0.000	0.000	0.000	0.000
493	A	496	VAL	0	0.025	0.005	11.672	0.034	0.034	0.000	0.000	0.000	0.000
494	A	497	ILE	0	-0.007	0.045	13.572	0.017	0.017	0.000	0.000	0.000	0.000
495	A	498	PRO	0	0.055	-0.007	9.766	-0.002	-0.002	0.000	0.000	0.000	0.000
496	A	499	ILE	0	-0.051	-0.009	12.561	0.026	0.026	0.000	0.000	0.000	0.000
497	A	500	LEU	0	0.002	-0.018	14.710	-0.014	-0.014	0.000	0.000	0.000	0.000
498	A	501	MET	0	-0.032	0.015	14.595	-0.027	-0.027	0.000	0.000	0.000	0.000
499	A	502	GLY	0	-0.005	0.017	16.624	-0.010	-0.010	0.000	0.000	0.000	0.000
500	A	503	TYR	0	-0.111	-0.047	17.469	0.002	0.002	0.000	0.000	0.000	0.000
501	A	504	TRP	0	-0.022	-0.013	20.179	-0.019	-0.019	0.000	0.000	0.000	0.000
502	A	517	LEU	0	0.091	0.026	32.965	0.000	0.000	0.000	0.000	0.000	0.000
503	A	518	ASN	0	0.055	0.019	27.752	0.002	0.002	0.000	0.000	0.000	0.000
504	A	519	ARG	1	0.996	0.992	31.129	0.019	0.019	0.000	0.000	0.000	0.000
505	A	520	PHE	0	0.004	-0.034	33.224	-0.005	-0.005	0.000	0.000	0.000	0.000
506	A	521	LEU	0	0.059	0.069	29.780	-0.001	-0.001	0.000	0.000	0.000	0.000
507	A	522	ILE	0	-0.015	-0.006	28.588	-0.008	-0.008	0.000	0.000	0.000	0.000
508	A	523	ARG	1	0.886	0.940	32.377	0.041	0.041	0.000	0.000	0.000	0.000
509	A	524	VAL	0	0.021	0.020	35.595	0.000	0.000	0.000	0.000	0.000	0.000
510	A	525	TYR	0	0.023	0.027	28.138	-0.006	-0.006	0.000	0.000	0.000	0.000
511	A	526	HIS	0	0.028	-0.008	29.542	-0.012	-0.012	0.000	0.000	0.000	0.000
512	A	527	PRO	0	0.007	0.015	33.432	-0.005	-0.005	0.000	0.000	0.000	0.000
513	A	528	LEU	0	0.055	0.012	35.856	-0.001	-0.001	0.000	0.000	0.000	0.000
514	A	529	LEU	0	-0.019	0.017	28.789	-0.006	-0.006	0.000	0.000	0.000	0.000
515	A	530	LEU	0	-0.004	-0.015	32.862	-0.007	-0.007	0.000	0.000	0.000	0.000
516	A	531	LYS	1	0.910	0.957	34.270	0.081	0.081	0.000	0.000	0.000	0.000
517	A	532	VAL	0	0.023	0.018	31.059	0.001	0.001	0.000	0.000	0.000	0.000
518	A	533	LEU	0	-0.044	-0.029	29.723	-0.009	-0.009	0.000	0.000	0.000	0.000
519	A	534	HIS	0	-0.023	-0.013	33.584	0.005	0.005	0.000	0.000	0.000	0.000
520	A	535	TRP	0	0.027	0.021	36.577	0.000	0.000	0.000	0.000	0.000	0.000
521	A	536	PRO	0	0.112	0.067	32.004	0.002	0.002	0.000	0.000	0.000	0.000
522	A	537	LYS	1	0.964	1.042	32.651	0.162	0.162	0.000	0.000	0.000	0.000
523	A	538	THR	0	0.016	0.004	34.795	0.002	0.002	0.000	0.000	0.000	0.000
524	A	539	THR	0	-0.075	-0.091	33.684	0.003	0.003	0.000	0.000	0.000	0.000
525	A	540	LEU	0	0.002	-0.005	29.512	-0.001	-0.001	0.000	0.000	0.000	0.000
526	A	541	LEU	0	-0.031	-0.002	33.539	-0.001	-0.001	0.000	0.000	0.000	0.000
527	A	542	VAL	0	0.020	-0.009	37.070	0.003	0.003	0.000	0.000	0.000	0.000
528	A	543	ALA	0	0.007	0.007	32.814	0.004	0.004	0.000	0.000	0.000	0.000
529	A	544	ALA	0	0.007	0.003	34.914	0.000	0.000	0.000	0.000	0.000	0.000
530	A	545	LEU	0	-0.004	-0.005	36.114	0.003	0.003	0.000	0.000	0.000	0.000
531	A	546	SER	0	0.003	0.006	35.871	0.006	0.006	0.000	0.000	0.000	0.000
532	A	547	VAL	0	0.030	0.017	34.402	0.004	0.004	0.000	0.000	0.000	0.000
533	A	548	LEU	0	-0.020	-0.020	37.217	0.004	0.004	0.000	0.000	0.000	0.000
534	A	549	THR	0	0.016	0.014	39.805	0.007	0.007	0.000	0.000	0.000	0.000
535	A	550	VAL	0	-0.034	0.002	37.573	0.004	0.004	0.000	0.000	0.000	0.000
536	A	551	LEU	0	0.028	-0.002	40.333	0.001	0.001	0.000	0.000	0.000	0.000
537	A	552	TRP	0	-0.037	-0.005	42.939	0.004	0.004	0.000	0.000	0.000	0.000
538	A	553	PRO	0	0.016	0.000	41.907	0.003	0.003	0.000	0.000	0.000	0.000
539	A	554	LEU	0	0.036	0.016	39.471	0.002	0.002	0.000	0.000	0.000	0.000
540	A	555	ASN	0	-0.074	-0.020	43.429	0.000	0.000	0.000	0.000	0.000	0.000
541	A	556	LYS	1	0.859	0.935	46.308	0.056	0.056	0.000	0.000	0.000	0.000
542	A	557	VAL	0	-0.002	0.013	42.752	0.003	0.003	0.000	0.000	0.000	0.000
543	A	558	GLY	0	0.101	0.060	46.010	-0.001	-0.001	0.000	0.000	0.000	0.000
544	A	559	GLY	0	-0.060	-0.033	43.921	-0.003	-0.003	0.000	0.000	0.000	0.000
545	A	560	GLU	-1	-0.871	-0.947	43.458	-0.042	-0.042	0.000	0.000	0.000	0.000
546	A	561	PHE	0	0.006	-0.012	39.731	-0.003	-0.003	0.000	0.000	0.000	0.000
547	A	562	LEU	0	-0.012	-0.028	38.458	-0.003	-0.003	0.000	0.000	0.000	0.000
548	A	563	PRO	0	0.014	0.021	39.957	0.001	0.001	0.000	0.000	0.000	0.000
549	A	564	GLN	0	0.018	0.004	43.165	0.002	0.002	0.000	0.000	0.000	0.000
550	A	565	ILE	0	-0.021	-0.008	41.282	0.001	0.001	0.000	0.000	0.000	0.000
551	A	566	ASN	0	0.024	0.017	45.204	0.001	0.001	0.000	0.000	0.000	0.000
552	A	567	GLU	-1	-0.851	-0.944	46.981	-0.018	-0.018	0.000	0.000	0.000	0.000
553	A	568	GLY	0	0.005	-0.005	48.983	0.000	0.000	0.000	0.000	0.000	0.000
554	A	569	ASP	-1	-0.849	-0.936	51.615	-0.009	-0.009	0.000	0.000	0.000	0.000
555	A	570	LEU	0	-0.048	-0.039	52.997	-0.001	-0.001	0.000	0.000	0.000	0.000
556	A	571	LEU	0	-0.019	-0.010	54.836	0.001	0.001	0.000	0.000	0.000	0.000
557	A	572	TYR	0	0.002	0.013	57.481	-0.002	-0.002	0.000	0.000	0.000	0.000
558	A	573	MET	0	-0.014	-0.012	56.457	0.000	0.000	0.000	0.000	0.000	0.000
559	A	574	PRO	0	0.014	0.021	60.717	-0.001	-0.001	0.000	0.000	0.000	0.000
560	A	575	SER	0	-0.071	-0.032	63.201	0.000	0.000	0.000	0.000	0.000	0.000
561	A	576	THR	0	0.033	0.007	64.981	0.000	0.000	0.000	0.000	0.000	0.000
562	A	577	LEU	0	-0.034	-0.016	67.934	-0.001	-0.001	0.000	0.000	0.000	0.000
563	A	578	PRO	0	-0.002	-0.010	69.076	0.001	0.001	0.000	0.000	0.000	0.000
564	A	579	GLY	0	-0.025	0.005	70.600	0.000	0.000	0.000	0.000	0.000	0.000
565	A	580	ILE	0	-0.030	0.015	71.180	0.001	0.001	0.000	0.000	0.000	0.000
566	A	581	SER	0	0.044	0.017	73.588	0.000	0.000	0.000	0.000	0.000	0.000
567	A	582	ALA	0	0.078	0.024	73.262	0.000	0.000	0.000	0.000	0.000	0.000
568	A	583	ALA	0	-0.007	-0.002	74.280	0.000	0.000	0.000	0.000	0.000	0.000
569	A	584	GLU	-1	-0.919	-0.953	75.748	-0.011	-0.011	0.000	0.000	0.000	0.000
570	A	585	ALA	0	0.030	0.004	70.796	0.000	0.000	0.000	0.000	0.000	0.000
571	A	586	ALA	0	0.023	0.007	71.669	0.000	0.000	0.000	0.000	0.000	0.000
572	A	587	SER	0	-0.019	-0.009	73.020	0.000	0.000	0.000	0.000	0.000	0.000
573	A	588	MET	0	-0.058	-0.038	70.456	0.000	0.000	0.000	0.000	0.000	0.000
574	A	589	LEU	0	0.002	0.004	66.587	0.000	0.000	0.000	0.000	0.000	0.000
575	A	590	GLN	0	-0.004	0.017	69.788	0.000	0.000	0.000	0.000	0.000	0.000
576	A	591	LYS	1	0.883	0.937	72.109	0.011	0.011	0.000	0.000	0.000	0.000
577	A	592	THR	0	0.013	0.003	67.047	0.000	0.000	0.000	0.000	0.000	0.000
578	A	593	ASP	-1	-0.791	-0.910	67.022	-0.011	-0.011	0.000	0.000	0.000	0.000
579	A	594	LYS	1	0.876	0.945	68.282	0.008	0.008	0.000	0.000	0.000	0.000
580	A	595	LEU	0	-0.037	-0.004	69.467	0.000	0.000	0.000	0.000	0.000	0.000
581	A	596	ILE	0	0.022	0.034	63.291	0.000	0.000	0.000	0.000	0.000	0.000
582	A	597	MET	0	-0.014	-0.005	65.353	0.000	0.000	0.000	0.000	0.000	0.000
583	A	598	SER	0	-0.134	-0.070	66.950	0.000	0.000	0.000	0.000	0.000	0.000
584	A	599	VAL	0	0.010	0.014	62.736	0.000	0.000	0.000	0.000	0.000	0.000
585	A	600	PRO	0	-0.024	-0.016	63.773	0.001	0.001	0.000	0.000	0.000	0.000
586	A	601	GLU	-1	-0.758	-0.911	58.989	-0.011	-0.011	0.000	0.000	0.000	0.000
587	A	602	VAL	0	0.012	0.038	59.699	0.000	0.000	0.000	0.000	0.000	0.000
588	A	603	ALA	0	-0.088	-0.051	60.223	0.001	0.001	0.000	0.000	0.000	0.000
589	A	604	ARG	1	0.876	0.933	61.018	0.004	0.004	0.000	0.000	0.000	0.000
590	A	605	VAL	0	0.013	0.019	61.744	-0.001	-0.001	0.000	0.000	0.000	0.000
591	A	606	PHE	0	0.031	0.018	61.249	0.001	0.001	0.000	0.000	0.000	0.000
592	A	607	GLY	0	0.058	0.033	62.852	-0.001	-0.001	0.000	0.000	0.000	0.000
593	A	608	LYS	1	0.869	0.919	60.185	0.013	0.013	0.000	0.000	0.000	0.000
594	A	609	THR	0	0.015	0.015	65.072	-0.001	-0.001	0.000	0.000	0.000	0.000
595	A	610	GLY	0	0.014	0.009	66.545	0.001	0.001	0.000	0.000	0.000	0.000
596	A	611	LYS	1	0.844	0.946	62.479	0.011	0.011	0.000	0.000	0.000	0.000
597	A	612	ALA	0	-0.007	-0.013	60.865	0.001	0.001	0.000	0.000	0.000	0.000
598	A	613	GLU	-1	-0.951	-0.984	62.505	-0.008	-0.008	0.000	0.000	0.000	0.000
599	A	614	THR	0	-0.029	-0.057	57.372	0.000	0.000	0.000	0.000	0.000	0.000
600	A	615	ALA	0	0.010	-0.007	56.860	-0.001	-0.001	0.000	0.000	0.000	0.000
601	A	616	THR	0	-0.091	-0.037	53.378	-0.001	-0.001	0.000	0.000	0.000	0.000
602	A	617	ASP	-1	-0.712	-0.853	55.885	-0.014	-0.014	0.000	0.000	0.000	0.000
603	A	618	SER	0	-0.031	-0.009	58.878	0.000	0.000	0.000	0.000	0.000	0.000
604	A	619	ALA	0	0.011	0.018	60.900	-0.001	-0.001	0.000	0.000	0.000	0.000
605	A	620	PRO	0	0.039	0.015	62.683	0.001	0.001	0.000	0.000	0.000	0.000
606	A	621	LEU	0	-0.004	-0.021	66.282	0.000	0.000	0.000	0.000	0.000	0.000
607	A	622	GLU	-1	-0.953	-0.977	67.478	-0.016	-0.016	0.000	0.000	0.000	0.000
608	A	623	MET	0	-0.077	-0.025	60.655	-0.001	-0.001	0.000	0.000	0.000	0.000
609	A	624	VAL	0	0.010	-0.005	64.438	0.001	0.001	0.000	0.000	0.000	0.000
610	A	625	GLU	-1	-0.918	-0.983	58.141	-0.017	-0.017	0.000	0.000	0.000	0.000
611	A	626	THR	0	-0.015	0.011	61.270	0.001	0.001	0.000	0.000	0.000	0.000
612	A	627	THR	0	0.026	0.006	57.342	-0.001	-0.001	0.000	0.000	0.000	0.000
613	A	628	ILE	0	-0.024	-0.010	58.767	0.001	0.001	0.000	0.000	0.000	0.000
614	A	629	GLN	0	0.033	0.024	56.272	0.000	0.000	0.000	0.000	0.000	0.000
615	A	630	LEU	0	0.002	0.001	54.707	0.000	0.000	0.000	0.000	0.000	0.000
616	A	631	LYS	1	0.859	0.937	56.275	0.007	0.007	0.000	0.000	0.000	0.000
617	A	632	PRO	0	0.074	0.049	53.917	-0.001	-0.001	0.000	0.000	0.000	0.000
618	A	633	GLN	0	0.011	0.002	49.011	0.000	0.000	0.000	0.000	0.000	0.000
619	A	634	GLU	-1	-0.962	-0.986	52.356	-0.003	-0.003	0.000	0.000	0.000	0.000
620	A	635	GLN	0	-0.078	-0.049	54.752	0.001	0.001	0.000	0.000	0.000	0.000
621	A	636	TRP	0	-0.058	-0.020	52.495	-0.001	-0.001	0.000	0.000	0.000	0.000
622	A	637	ARG	1	0.851	0.912	58.249	0.012	0.012	0.000	0.000	0.000	0.000
623	A	638	PRO	0	-0.008	-0.008	58.258	-0.001	-0.001	0.000	0.000	0.000	0.000
624	A	639	GLY	0	-0.018	-0.002	56.985	-0.001	-0.001	0.000	0.000	0.000	0.000
625	A	640	MET	0	-0.059	-0.014	56.590	-0.001	-0.001	0.000	0.000	0.000	0.000
626	A	641	THR	0	0.003	-0.004	52.571	0.000	0.000	0.000	0.000	0.000	0.000
627	A	642	MET	0	0.084	0.043	51.817	0.001	0.001	0.000	0.000	0.000	0.000
628	A	643	ASP	-1	-0.876	-0.943	51.966	-0.027	-0.027	0.000	0.000	0.000	0.000
629	A	644	LYS	1	0.912	0.948	54.837	0.020	0.020	0.000	0.000	0.000	0.000
630	A	645	ILE	0	-0.001	0.005	56.046	0.001	0.001	0.000	0.000	0.000	0.000
631	A	646	ILE	0	0.022	0.006	54.593	0.001	0.001	0.000	0.000	0.000	0.000
632	A	647	GLU	-1	-0.871	-0.922	58.778	-0.024	-0.024	0.000	0.000	0.000	0.000
633	A	648	GLU	-1	-0.901	-0.952	61.000	-0.014	-0.014	0.000	0.000	0.000	0.000
634	A	649	LEU	0	0.010	-0.006	60.126	0.001	0.001	0.000	0.000	0.000	0.000
635	A	650	ASP	-1	-0.835	-0.906	61.807	-0.021	-0.021	0.000	0.000	0.000	0.000
636	A	651	ASN	0	-0.023	-0.001	63.811	-0.001	-0.001	0.000	0.000	0.000	0.000
637	A	652	THR	0	-0.062	-0.021	66.369	0.001	0.001	0.000	0.000	0.000	0.000
638	A	653	VAL	0	-0.043	-0.029	65.728	0.001	0.001	0.000	0.000	0.000	0.000
639	A	654	ARG	1	0.889	0.938	66.358	0.018	0.018	0.000	0.000	0.000	0.000
640	A	655	LEU	0	-0.012	-0.005	69.684	0.001	0.001	0.000	0.000	0.000	0.000
641	A	656	PRO	0	0.016	-0.009	71.593	-0.001	-0.001	0.000	0.000	0.000	0.000
642	A	657	GLY	0	-0.024	-0.007	72.217	0.000	0.000	0.000	0.000	0.000	0.000
643	A	658	LEU	0	-0.043	-0.012	67.236	0.000	0.000	0.000	0.000	0.000	0.000
644	A	659	ALA	0	-0.006	0.003	64.688	0.000	0.000	0.000	0.000	0.000	0.000
645	A	660	ASN	0	0.014	-0.002	63.340	-0.001	-0.001	0.000	0.000	0.000	0.000
646	A	661	LEU	0	0.038	0.016	56.140	-0.001	-0.001	0.000	0.000	0.000	0.000
647	A	662	TRP	0	-0.042	-0.028	57.628	0.002	0.002	0.000	0.000	0.000	0.000
648	A	663	VAL	0	-0.009	0.004	53.143	-0.002	-0.002	0.000	0.000	0.000	0.000
649	A	664	PRO	0	0.048	0.035	49.713	0.002	0.002	0.000	0.000	0.000	0.000
650	A	665	PRO	0	0.023	0.021	51.417	-0.001	-0.001	0.000	0.000	0.000	0.000
651	A	666	ILE	0	-0.032	-0.016	45.364	-0.001	-0.001	0.000	0.000	0.000	0.000
652	A	667	ARG	1	0.873	0.939	44.140	0.032	0.032	0.000	0.000	0.000	0.000
653	A	668	ASN	0	0.083	0.036	47.867	-0.003	-0.003	0.000	0.000	0.000	0.000
654	A	669	ARG	1	0.901	0.944	49.705	0.014	0.014	0.000	0.000	0.000	0.000
655	A	670	ILE	0	-0.034	-0.011	43.719	0.000	0.000	0.000	0.000	0.000	0.000
656	A	671	ASP	-1	-0.877	-0.931	46.763	-0.035	-0.035	0.000	0.000	0.000	0.000
657	A	672	MET	0	-0.026	-0.015	48.444	-0.001	-0.001	0.000	0.000	0.000	0.000
658	A	673	LEU	0	-0.064	-0.015	46.250	0.000	0.000	0.000	0.000	0.000	0.000
659	A	674	SER	0	0.011	0.013	44.158	-0.001	-0.001	0.000	0.000	0.000	0.000
660	A	675	THR	0	-0.089	-0.047	46.621	-0.001	-0.001	0.000	0.000	0.000	0.000
661	A	676	GLY	0	-0.024	0.001	49.305	0.000	0.000	0.000	0.000	0.000	0.000
662	A	677	ILE	0	-0.054	-0.036	52.240	0.002	0.002	0.000	0.000	0.000	0.000
663	A	678	LYS	1	0.925	0.960	52.507	0.021	0.021	0.000	0.000	0.000	0.000
664	A	679	SER	0	0.008	0.007	54.092	0.001	0.001	0.000	0.000	0.000	0.000
665	A	680	PRO	0	0.021	0.005	50.311	-0.001	-0.001	0.000	0.000	0.000	0.000
666	A	681	ILE	0	-0.007	-0.015	50.564	-0.003	-0.003	0.000	0.000	0.000	0.000
667	A	682	GLY	0	0.049	0.038	52.768	0.002	0.002	0.000	0.000	0.000	0.000
668	A	683	ILE	0	-0.026	-0.004	53.682	-0.002	-0.002	0.000	0.000	0.000	0.000
669	A	684	LYS	1	0.836	0.900	51.345	0.036	0.036	0.000	0.000	0.000	0.000
670	A	685	VAL	0	-0.001	0.016	56.610	-0.002	-0.002	0.000	0.000	0.000	0.000
671	A	686	SER	0	0.034	0.005	57.191	0.001	0.001	0.000	0.000	0.000	0.000
672	A	687	GLY	0	0.006	-0.016	59.600	-0.001	-0.001	0.000	0.000	0.000	0.000
673	A	688	THR	0	-0.028	-0.019	62.099	0.000	0.000	0.000	0.000	0.000	0.000
674	A	689	VAL	0	-0.010	0.013	64.643	0.001	0.001	0.000	0.000	0.000	0.000
675	A	690	LEU	0	0.028	0.006	66.268	-0.001	-0.001	0.000	0.000	0.000	0.000
676	A	691	ALA	0	0.110	0.055	68.096	0.000	0.000	0.000	0.000	0.000	0.000
677	A	692	ASP	-1	-0.915	-0.962	67.287	-0.027	-0.027	0.000	0.000	0.000	0.000
678	A	693	ILE	0	-0.035	-0.025	62.498	-0.001	-0.001	0.000	0.000	0.000	0.000
679	A	694	ASP	-1	-0.777	-0.894	65.136	-0.024	-0.024	0.000	0.000	0.000	0.000
680	A	695	ALA	0	-0.008	0.008	67.503	0.000	0.000	0.000	0.000	0.000	0.000
681	A	696	MET	0	-0.078	-0.028	63.661	-0.001	-0.001	0.000	0.000	0.000	0.000
682	A	697	ALA	0	0.012	-0.001	63.406	-0.001	-0.001	0.000	0.000	0.000	0.000
683	A	698	GLU	-1	-0.937	-0.962	64.357	-0.023	-0.023	0.000	0.000	0.000	0.000
684	A	699	GLN	0	0.016	0.006	66.343	-0.001	-0.001	0.000	0.000	0.000	0.000
685	A	700	ILE	0	-0.014	-0.027	60.230	-0.001	-0.001	0.000	0.000	0.000	0.000
686	A	701	GLU	-1	-0.806	-0.914	63.035	-0.025	-0.025	0.000	0.000	0.000	0.000
687	A	702	GLU	-1	-0.940	-0.976	64.391	-0.026	-0.026	0.000	0.000	0.000	0.000
688	A	703	VAL	0	-0.034	-0.012	62.590	0.000	0.000	0.000	0.000	0.000	0.000
689	A	704	ALA	0	-0.013	0.006	60.814	-0.001	-0.001	0.000	0.000	0.000	0.000
690	A	705	ARG	1	0.840	0.930	61.920	0.024	0.024	0.000	0.000	0.000	0.000
691	A	706	THR	0	-0.115	-0.056	64.160	0.000	0.000	0.000	0.000	0.000	0.000
692	A	707	VAL	0	-0.034	-0.013	58.353	-0.001	-0.001	0.000	0.000	0.000	0.000
693	A	708	PRO	0	-0.013	-0.022	59.600	0.001	0.001	0.000	0.000	0.000	0.000
694	A	709	GLY	0	-0.003	-0.004	57.720	0.001	0.001	0.000	0.000	0.000	0.000
695	A	710	VAL	0	-0.056	-0.018	58.520	0.000	0.000	0.000	0.000	0.000	0.000
696	A	711	ALA	0	0.032	0.033	60.115	0.001	0.001	0.000	0.000	0.000	0.000
697	A	712	SER	0	-0.040	-0.021	61.337	0.001	0.001	0.000	0.000	0.000	0.000
698	A	713	ALA	0	0.011	-0.007	61.204	-0.001	-0.001	0.000	0.000	0.000	0.000
699	A	714	LEU	0	-0.032	-0.001	62.367	0.001	0.001	0.000	0.000	0.000	0.000
700	A	715	ALA	0	0.028	0.021	62.616	0.000	0.000	0.000	0.000	0.000	0.000
701	A	716	GLU	-1	-0.846	-0.904	60.712	-0.023	-0.023	0.000	0.000	0.000	0.000
702	A	717	ARG	1	0.866	0.924	64.769	0.022	0.022	0.000	0.000	0.000	0.000
703	A	718	LEU	0	0.018	0.003	63.982	0.000	0.000	0.000	0.000	0.000	0.000
704	A	719	GLU	-1	-1.000	-1.010	67.337	-0.020	-0.020	0.000	0.000	0.000	0.000
705	A	720	GLY	0	0.031	0.028	71.001	0.000	0.000	0.000	0.000	0.000	0.000
706	A	721	GLY	0	-0.001	-0.003	72.833	0.001	0.001	0.000	0.000	0.000	0.000
707	A	722	ARG	1	0.944	0.962	74.056	0.015	0.015	0.000	0.000	0.000	0.000
708	A	723	TYR	0	-0.056	-0.035	73.355	0.001	0.001	0.000	0.000	0.000	0.000
709	A	724	ILE	0	0.012	-0.006	79.665	0.000	0.000	0.000	0.000	0.000	0.000
710	A	725	ASN	0	0.013	0.023	80.404	0.000	0.000	0.000	0.000	0.000	0.000
711	A	726	VAL	0	0.034	0.012	83.636	0.000	0.000	0.000	0.000	0.000	0.000
712	A	727	GLU	-1	-0.915	-0.967	85.243	-0.013	-0.013	0.000	0.000	0.000	0.000
713	A	728	ILE	0	-0.020	-0.018	86.146	0.000	0.000	0.000	0.000	0.000	0.000
714	A	729	ASN	0	0.016	0.002	88.833	0.000	0.000	0.000	0.000	0.000	0.000
715	A	730	ARG	1	0.996	0.979	85.036	0.011	0.011	0.000	0.000	0.000	0.000
716	A	731	GLU	-1	-0.904	-0.945	92.103	-0.010	-0.010	0.000	0.000	0.000	0.000
717	A	732	LYS	1	0.871	0.954	95.201	0.010	0.010	0.000	0.000	0.000	0.000
718	A	733	ALA	0	0.046	0.010	93.182	0.000	0.000	0.000	0.000	0.000	0.000
719	A	734	ALA	0	0.024	0.016	95.164	0.000	0.000	0.000	0.000	0.000	0.000
720	A	735	ARG	1	0.914	0.973	96.537	0.008	0.008	0.000	0.000	0.000	0.000
721	A	736	TYR	0	-0.035	-0.023	97.735	0.000	0.000	0.000	0.000	0.000	0.000
722	A	737	GLY	0	0.002	0.001	97.622	0.000	0.000	0.000	0.000	0.000	0.000
723	A	738	MET	0	-0.068	-0.017	92.630	0.000	0.000	0.000	0.000	0.000	0.000
724	A	739	THR	0	-0.029	-0.023	89.354	0.000	0.000	0.000	0.000	0.000	0.000
725	A	740	VAL	0	-0.015	-0.026	85.235	0.000	0.000	0.000	0.000	0.000	0.000
726	A	741	ALA	0	0.035	0.013	85.401	0.000	0.000	0.000	0.000	0.000	0.000
727	A	742	ASP	-1	-0.788	-0.884	86.444	-0.007	-0.007	0.000	0.000	0.000	0.000
728	A	743	VAL	0	-0.031	-0.019	88.760	0.000	0.000	0.000	0.000	0.000	0.000
729	A	744	GLN	0	0.041	-0.007	82.717	0.000	0.000	0.000	0.000	0.000	0.000
730	A	745	LEU	0	0.037	0.049	85.083	0.000	0.000	0.000	0.000	0.000	0.000
731	A	746	PHE	0	0.037	-0.011	86.343	0.000	0.000	0.000	0.000	0.000	0.000
732	A	747	VAL	0	-0.014	-0.004	82.792	0.000	0.000	0.000	0.000	0.000	0.000
733	A	748	THR	0	-0.022	-0.015	80.850	0.000	0.000	0.000	0.000	0.000	0.000
734	A	749	SER	0	0.015	0.013	82.212	0.000	0.000	0.000	0.000	0.000	0.000
735	A	750	ALA	0	0.037	0.037	84.778	0.000	0.000	0.000	0.000	0.000	0.000
736	A	751	VAL	0	0.008	-0.004	84.136	0.000	0.000	0.000	0.000	0.000	0.000
737	A	752	GLY	0	0.011	-0.001	81.804	0.000	0.000	0.000	0.000	0.000	0.000
738	A	753	GLY	0	-0.010	-0.011	80.757	0.000	0.000	0.000	0.000	0.000	0.000
739	A	754	ALA	0	-0.027	-0.008	78.725	0.000	0.000	0.000	0.000	0.000	0.000
740	A	755	MET	0	0.023	0.015	74.027	0.000	0.000	0.000	0.000	0.000	0.000
741	A	756	VAL	0	-0.084	-0.057	78.729	0.000	0.000	0.000	0.000	0.000	0.000
742	A	757	GLY	0	0.041	0.020	79.052	0.000	0.000	0.000	0.000	0.000	0.000
743	A	758	GLU	-1	-0.893	-0.957	73.388	-0.004	-0.004	0.000	0.000	0.000	0.000
744	A	759	THR	0	-0.039	-0.012	78.027	0.000	0.000	0.000	0.000	0.000	0.000
745	A	760	VAL	0	0.022	0.006	75.837	0.000	0.000	0.000	0.000	0.000	0.000
746	A	761	GLU	-1	-0.783	-0.882	76.257	0.000	0.000	0.000	0.000	0.000	0.000
747	A	762	GLY	0	0.002	0.004	75.121	0.000	0.000	0.000	0.000	0.000	0.000
748	A	763	ILE	0	-0.018	-0.019	68.531	0.000	0.000	0.000	0.000	0.000	0.000
749	A	764	ALA	0	-0.007	0.000	71.038	0.000	0.000	0.000	0.000	0.000	0.000
750	A	765	ARG	1	0.894	0.944	70.630	0.002	0.002	0.000	0.000	0.000	0.000
751	A	766	TYR	0	-0.019	-0.011	73.670	0.000	0.000	0.000	0.000	0.000	0.000
752	A	767	PRO	0	0.050	0.042	74.804	0.000	0.000	0.000	0.000	0.000	0.000
753	A	768	ILE	0	0.003	0.003	77.421	0.000	0.000	0.000	0.000	0.000	0.000
754	A	769	ASN	0	-0.002	0.002	80.588	0.000	0.000	0.000	0.000	0.000	0.000
755	A	770	LEU	0	0.039	0.016	82.549	0.000	0.000	0.000	0.000	0.000	0.000
756	A	771	ARG	1	0.822	0.905	81.403	0.007	0.007	0.000	0.000	0.000	0.000
757	A	772	TYR	0	-0.037	0.001	87.020	0.000	0.000	0.000	0.000	0.000	0.000
758	A	773	PRO	0	0.034	0.012	88.665	0.000	0.000	0.000	0.000	0.000	0.000
759	A	774	GLN	0	-0.017	-0.027	85.336	0.000	0.000	0.000	0.000	0.000	0.000
760	A	775	SER	0	0.070	0.034	89.038	0.000	0.000	0.000	0.000	0.000	0.000
761	A	776	TRP	0	-0.008	-0.002	91.736	0.000	0.000	0.000	0.000	0.000	0.000
762	A	777	ARG	1	0.822	0.913	84.854	0.007	0.007	0.000	0.000	0.000	0.000
763	A	778	ASP	-1	-0.860	-0.918	87.291	-0.008	-0.008	0.000	0.000	0.000	0.000
764	A	779	SER	0	-0.012	-0.008	87.617	0.000	0.000	0.000	0.000	0.000	0.000
765	A	780	PRO	0	0.050	0.007	87.084	0.000	0.000	0.000	0.000	0.000	0.000
766	A	781	GLN	0	-0.010	-0.036	89.368	0.000	0.000	0.000	0.000	0.000	0.000
767	A	782	ALA	0	0.019	0.030	90.956	0.000	0.000	0.000	0.000	0.000	0.000
768	A	783	LEU	0	0.047	0.024	86.248	0.000	0.000	0.000	0.000	0.000	0.000
769	A	784	ARG	1	0.863	0.935	90.929	0.010	0.010	0.000	0.000	0.000	0.000
770	A	785	GLN	0	0.003	-0.007	93.758	0.000	0.000	0.000	0.000	0.000	0.000
771	A	786	LEU	0	-0.025	0.003	90.474	0.000	0.000	0.000	0.000	0.000	0.000
772	A	787	PRO	0	0.013	0.013	93.858	0.000	0.000	0.000	0.000	0.000	0.000
773	A	788	ILE	0	0.003	-0.001	92.821	0.000	0.000	0.000	0.000	0.000	0.000
774	A	789	LEU	0	-0.018	0.003	95.998	0.000	0.000	0.000	0.000	0.000	0.000
775	A	790	THR	0	-0.009	-0.014	96.577	0.000	0.000	0.000	0.000	0.000	0.000
776	A	791	PRO	0	0.058	0.026	95.521	0.000	0.000	0.000	0.000	0.000	0.000
777	A	792	MET	0	-0.062	-0.030	98.119	0.000	0.000	0.000	0.000	0.000	0.000
778	A	793	LYS	1	0.887	0.943	99.227	0.005	0.005	0.000	0.000	0.000	0.000
779	A	794	GLN	0	0.041	0.030	101.553	0.000	0.000	0.000	0.000	0.000	0.000
780	A	795	GLN	0	-0.008	-0.010	100.734	0.000	0.000	0.000	0.000	0.000	0.000
781	A	796	ILE	0	-0.015	0.002	96.447	0.000	0.000	0.000	0.000	0.000	0.000
782	A	797	THR	0	-0.044	-0.023	96.893	0.000	0.000	0.000	0.000	0.000	0.000
783	A	798	LEU	0	0.010	0.000	89.111	0.000	0.000	0.000	0.000	0.000	0.000
784	A	799	ALA	0	-0.001	-0.005	93.512	0.000	0.000	0.000	0.000	0.000	0.000
785	A	800	ASP	-1	-0.856	-0.897	95.012	-0.008	-0.008	0.000	0.000	0.000	0.000
786	A	801	VAL	0	-0.045	-0.035	92.536	0.000	0.000	0.000	0.000	0.000	0.000
787	A	802	ALA	0	-0.049	-0.025	89.745	0.000	0.000	0.000	0.000	0.000	0.000
788	A	803	ASP	-1	-0.893	-0.909	90.331	-0.010	-0.010	0.000	0.000	0.000	0.000
789	A	804	ILE	0	-0.033	-0.020	88.044	0.000	0.000	0.000	0.000	0.000	0.000
790	A	805	LYS	1	0.895	0.947	86.257	0.012	0.012	0.000	0.000	0.000	0.000
791	A	806	VAL	0	-0.003	0.006	83.036	0.000	0.000	0.000	0.000	0.000	0.000
792	A	807	SER	0	-0.055	-0.033	80.610	0.000	0.000	0.000	0.000	0.000	0.000
793	A	808	THR	0	0.012	-0.006	76.043	0.000	0.000	0.000	0.000	0.000	0.000
794	A	809	GLY	0	0.032	0.019	74.995	0.000	0.000	0.000	0.000	0.000	0.000
795	A	810	PRO	0	0.031	0.012	69.970	0.000	0.000	0.000	0.000	0.000	0.000
796	A	811	SER	0	0.015	0.029	68.686	0.001	0.001	0.000	0.000	0.000	0.000
797	A	812	MET	0	-0.031	-0.023	62.676	0.000	0.000	0.000	0.000	0.000	0.000
798	A	813	LEU	0	-0.005	0.006	64.885	-0.001	-0.001	0.000	0.000	0.000	0.000
799	A	814	LYS	1	0.945	1.003	58.875	0.023	0.023	0.000	0.000	0.000	0.000
800	A	815	THR	0	-0.034	-0.012	59.169	-0.001	-0.001	0.000	0.000	0.000	0.000
801	A	816	GLU	-1	-0.849	-0.927	52.370	-0.033	-0.033	0.000	0.000	0.000	0.000
802	A	817	ASN	0	0.026	-0.010	50.498	0.000	0.000	0.000	0.000	0.000	0.000
803	A	818	ALA	0	-0.002	0.002	54.573	0.000	0.000	0.000	0.000	0.000	0.000
804	A	819	ARG	1	0.916	0.962	56.994	0.033	0.033	0.000	0.000	0.000	0.000
805	A	820	PRO	0	0.027	0.018	59.076	0.000	0.000	0.000	0.000	0.000	0.000
806	A	821	THR	0	-0.060	-0.028	57.379	-0.001	-0.001	0.000	0.000	0.000	0.000
807	A	822	SER	0	0.000	-0.003	60.307	0.001	0.001	0.000	0.000	0.000	0.000
808	A	823	TRP	0	-0.005	-0.014	55.249	-0.001	-0.001	0.000	0.000	0.000	0.000
809	A	824	ILE	0	0.008	-0.011	58.748	0.001	0.001	0.000	0.000	0.000	0.000
810	A	825	TYR	0	-0.028	-0.025	57.098	-0.001	-0.001	0.000	0.000	0.000	0.000
811	A	826	ILE	0	-0.009	-0.015	56.770	0.001	0.001	0.000	0.000	0.000	0.000
812	A	827	ASP	-1	-0.832	-0.912	56.597	-0.027	-0.027	0.000	0.000	0.000	0.000
813	A	828	ALA	0	0.002	-0.006	55.403	0.000	0.000	0.000	0.000	0.000	0.000
814	A	829	ARG	1	0.828	0.907	54.124	0.024	0.024	0.000	0.000	0.000	0.000
815	A	830	ASP	-1	-0.866	-0.905	54.091	-0.029	-0.029	0.000	0.000	0.000	0.000
816	A	831	ARG	1	0.773	0.841	53.642	0.039	0.039	0.000	0.000	0.000	0.000
817	A	832	ASP	-1	-0.767	-0.860	48.250	-0.048	-0.048	0.000	0.000	0.000	0.000
818	A	833	MET	0	0.040	0.002	46.622	-0.001	-0.001	0.000	0.000	0.000	0.000
819	A	834	VAL	0	-0.030	-0.011	45.920	0.000	0.000	0.000	0.000	0.000	0.000
820	A	835	SER	0	-0.009	-0.032	48.554	-0.001	-0.001	0.000	0.000	0.000	0.000
821	A	836	VAL	0	0.012	0.014	51.430	0.001	0.001	0.000	0.000	0.000	0.000
822	A	837	VAL	0	0.011	0.012	49.246	0.001	0.001	0.000	0.000	0.000	0.000
823	A	838	HIS	1	0.854	0.931	47.070	0.056	0.056	0.000	0.000	0.000	0.000
824	A	839	ASP	-1	-0.783	-0.857	52.582	-0.043	-0.043	0.000	0.000	0.000	0.000
825	A	840	LEU	0	-0.045	-0.009	55.068	0.001	0.001	0.000	0.000	0.000	0.000
826	A	841	GLN	0	-0.017	-0.014	50.054	-0.001	-0.001	0.000	0.000	0.000	0.000
827	A	842	LYS	1	0.895	0.953	55.007	0.048	0.048	0.000	0.000	0.000	0.000
828	A	843	ALA	0	0.056	0.031	57.796	0.001	0.001	0.000	0.000	0.000	0.000
829	A	844	ILE	0	0.009	0.001	57.871	0.001	0.001	0.000	0.000	0.000	0.000
830	A	845	ALA	0	-0.036	-0.015	57.910	0.000	0.000	0.000	0.000	0.000	0.000
831	A	846	GLU	-1	-1.000	-1.001	60.045	-0.038	-0.038	0.000	0.000	0.000	0.000
832	A	847	LYS	1	0.888	0.946	62.900	0.035	0.035	0.000	0.000	0.000	0.000
833	A	848	VAL	0	0.031	0.022	63.224	0.001	0.001	0.000	0.000	0.000	0.000
834	A	849	GLN	0	-0.022	0.001	63.679	0.000	0.000	0.000	0.000	0.000	0.000
835	A	850	LEU	0	0.011	-0.017	59.237	0.001	0.001	0.000	0.000	0.000	0.000
836	A	851	LYS	1	0.946	0.978	63.957	0.029	0.029	0.000	0.000	0.000	0.000
837	A	852	PRO	0	0.011	-0.009	63.803	-0.001	-0.001	0.000	0.000	0.000	0.000
838	A	853	GLY	0	-0.003	0.011	62.675	-0.001	-0.001	0.000	0.000	0.000	0.000
839	A	854	THR	0	-0.038	-0.019	61.915	0.001	0.001	0.000	0.000	0.000	0.000
840	A	855	SER	0	-0.029	-0.003	56.300	0.000	0.000	0.000	0.000	0.000	0.000
841	A	856	VAL	0	0.046	0.015	56.765	0.001	0.001	0.000	0.000	0.000	0.000
842	A	857	ALA	0	-0.007	0.005	52.242	-0.002	-0.002	0.000	0.000	0.000	0.000
843	A	858	PHE	0	-0.010	0.003	51.224	0.002	0.002	0.000	0.000	0.000	0.000
844	A	859	SER	0	0.036	-0.002	49.638	-0.002	-0.002	0.000	0.000	0.000	0.000
845	A	860	GLY	0	0.046	0.041	48.911	0.001	0.001	0.000	0.000	0.000	0.000
846	A	861	GLN	0	0.102	0.027	45.649	-0.001	-0.001	0.000	0.000	0.000	0.000
847	A	862	PHE	0	-0.034	-0.012	45.070	-0.003	-0.003	0.000	0.000	0.000	0.000
848	A	863	GLU	-1	-0.915	-0.958	45.337	-0.047	-0.047	0.000	0.000	0.000	0.000
849	A	864	LEU	0	0.006	0.009	41.783	-0.003	-0.003	0.000	0.000	0.000	0.000
850	A	865	LEU	0	-0.045	-0.033	40.838	-0.004	-0.004	0.000	0.000	0.000	0.000
851	A	866	GLU	-1	-0.936	-0.976	40.495	-0.064	-0.064	0.000	0.000	0.000	0.000
852	A	867	ARG	1	0.930	0.983	38.236	0.050	0.050	0.000	0.000	0.000	0.000
853	A	868	ALA	0	0.044	0.017	36.452	-0.005	-0.005	0.000	0.000	0.000	0.000
854	A	869	ASN	0	-0.018	-0.025	35.618	-0.009	-0.009	0.000	0.000	0.000	0.000
855	A	870	HIS	0	-0.056	-0.017	35.931	-0.007	-0.007	0.000	0.000	0.000	0.000
856	A	871	LYS	1	0.890	0.957	30.928	0.086	0.086	0.000	0.000	0.000	0.000
857	A	872	LEU	0	0.037	0.016	31.613	-0.009	-0.009	0.000	0.000	0.000	0.000
858	A	873	LYS	1	0.917	0.949	31.460	0.079	0.079	0.000	0.000	0.000	0.000
859	A	874	LEU	0	-0.003	0.010	29.835	-0.008	-0.008	0.000	0.000	0.000	0.000
860	A	875	MET	0	0.005	0.024	27.366	-0.008	-0.008	0.000	0.000	0.000	0.000
861	A	876	VAL	0	0.000	0.000	26.770	-0.011	-0.011	0.000	0.000	0.000	0.000
862	A	877	PRO	0	0.023	0.004	25.973	-0.016	-0.016	0.000	0.000	0.000	0.000
863	A	878	MET	0	0.016	0.019	23.695	-0.019	-0.019	0.000	0.000	0.000	0.000
864	A	879	THR	0	0.054	0.010	22.123	-0.020	-0.020	0.000	0.000	0.000	0.000
865	A	880	LEU	0	-0.027	-0.034	21.678	-0.019	-0.019	0.000	0.000	0.000	0.000
866	A	881	MET	0	-0.027	-0.010	20.823	-0.029	-0.029	0.000	0.000	0.000	0.000
867	A	882	ILE	0	0.008	0.019	16.567	-0.041	-0.041	0.000	0.000	0.000	0.000
868	A	883	ILE	0	-0.015	0.006	16.481	-0.039	-0.039	0.000	0.000	0.000	0.000
869	A	884	PHE	0	-0.010	-0.009	17.107	-0.044	-0.044	0.000	0.000	0.000	0.000
870	A	885	VAL	0	0.030	0.012	12.840	-0.056	-0.056	0.000	0.000	0.000	0.000
871	A	886	LEU	0	0.011	0.011	11.434	-0.098	-0.098	0.000	0.000	0.000	0.000
872	A	887	LEU	0	-0.007	0.005	12.131	-0.082	-0.082	0.000	0.000	0.000	0.000
873	A	888	TYR	0	-0.045	-0.025	13.125	-0.100	-0.100	0.000	0.000	0.000	0.000
874	A	889	LEU	0	-0.049	-0.017	7.271	-0.128	-0.128	0.000	0.000	0.000	0.000
875	A	890	ALA	0	-0.025	-0.004	8.254	-0.298	-0.298	0.000	0.000	0.000	0.000
876	A	891	PHE	0	0.009	0.006	9.302	-0.262	-0.262	0.000	0.000	0.000	0.000
877	A	892	ARG	1	0.905	0.959	5.449	2.632	2.632	0.000	0.000	0.000	0.000
878	A	893	ARG	1	0.899	0.957	12.030	0.699	0.699	0.000	0.000	0.000	0.000
879	A	894	VAL	0	0.083	0.036	15.722	0.035	0.035	0.000	0.000	0.000	0.000
880	A	895	GLY	0	-0.029	-0.015	18.423	0.020	0.020	0.000	0.000	0.000	0.000
881	A	896	GLU	-1	-0.873	-0.960	16.416	-0.540	-0.540	0.000	0.000	0.000	0.000
882	A	897	ALA	0	0.088	0.047	16.199	0.028	0.028	0.000	0.000	0.000	0.000
883	A	898	LEU	0	-0.032	-0.031	18.168	0.035	0.035	0.000	0.000	0.000	0.000
884	A	899	LEU	0	-0.028	-0.017	21.438	0.033	0.033	0.000	0.000	0.000	0.000
885	A	900	ILE	0	0.016	0.024	18.460	0.031	0.031	0.000	0.000	0.000	0.000
886	A	901	ILE	0	0.028	0.030	20.759	0.028	0.028	0.000	0.000	0.000	0.000
887	A	902	SER	0	-0.065	-0.034	22.450	0.028	0.028	0.000	0.000	0.000	0.000
888	A	903	SER	0	-0.052	-0.034	24.211	0.021	0.021	0.000	0.000	0.000	0.000
889	A	904	VAL	0	0.068	0.025	24.487	0.016	0.016	0.000	0.000	0.000	0.000
890	A	905	PRO	0	-0.017	-0.002	27.121	0.016	0.016	0.000	0.000	0.000	0.000
891	A	906	PHE	0	-0.003	-0.009	28.958	0.013	0.013	0.000	0.000	0.000	0.000
892	A	907	ALA	0	0.013	0.025	28.210	0.010	0.010	0.000	0.000	0.000	0.000
893	A	908	LEU	0	-0.003	0.006	30.038	0.011	0.011	0.000	0.000	0.000	0.000
894	A	909	VAL	0	-0.007	-0.005	32.761	0.009	0.009	0.000	0.000	0.000	0.000
895	A	910	GLY	0	0.038	0.008	33.836	0.007	0.007	0.000	0.000	0.000	0.000
896	A	911	GLY	0	-0.012	-0.005	34.069	0.007	0.007	0.000	0.000	0.000	0.000
897	A	912	ILE	0	-0.005	-0.008	34.928	0.006	0.006	0.000	0.000	0.000	0.000
898	A	913	TRP	0	-0.026	-0.020	38.230	0.007	0.007	0.000	0.000	0.000	0.000
899	A	914	LEU	0	-0.016	0.012	35.910	0.005	0.005	0.000	0.000	0.000	0.000
900	A	915	LEU	0	-0.006	-0.003	37.437	0.005	0.005	0.000	0.000	0.000	0.000
901	A	916	TRP	0	0.034	0.016	40.302	0.004	0.004	0.000	0.000	0.000	0.000
902	A	917	TRP	0	-0.072	-0.027	42.305	0.003	0.003	0.000	0.000	0.000	0.000
903	A	918	MET	0	-0.037	-0.022	39.824	0.004	0.004	0.000	0.000	0.000	0.000
904	A	919	GLY	0	-0.001	0.019	43.403	0.003	0.003	0.000	0.000	0.000	0.000
905	A	920	PHE	0	-0.086	-0.051	39.336	0.001	0.001	0.000	0.000	0.000	0.000
906	A	921	HIS	0	-0.003	0.001	43.100	-0.002	-0.002	0.000	0.000	0.000	0.000
907	A	922	LEU	0	-0.041	-0.031	38.505	-0.002	-0.002	0.000	0.000	0.000	0.000
908	A	923	SER	0	0.048	0.023	39.047	0.003	0.003	0.000	0.000	0.000	0.000
909	A	924	VAL	0	0.046	0.023	35.056	-0.005	-0.005	0.000	0.000	0.000	0.000
910	A	925	ALA	0	0.034	0.032	34.830	-0.003	-0.003	0.000	0.000	0.000	0.000
911	A	926	THR	0	-0.022	-0.008	34.283	-0.005	-0.005	0.000	0.000	0.000	0.000
912	A	927	GLY	0	-0.011	-0.011	33.886	-0.006	-0.006	0.000	0.000	0.000	0.000
913	A	928	THR	0	0.028	0.015	29.586	-0.009	-0.009	0.000	0.000	0.000	0.000
914	A	929	GLY	0	0.050	0.021	29.650	-0.006	-0.006	0.000	0.000	0.000	0.000
915	A	930	PHE	0	-0.024	-0.014	29.488	-0.006	-0.006	0.000	0.000	0.000	0.000
916	A	931	ILE	0	-0.032	-0.002	25.710	-0.012	-0.012	0.000	0.000	0.000	0.000
917	A	932	ALA	0	0.001	-0.014	25.062	-0.012	-0.012	0.000	0.000	0.000	0.000
918	A	933	LEU	0	-0.075	-0.003	24.735	-0.007	-0.007	0.000	0.000	0.000	0.000
919	A	934	ALA	0	0.002	-0.002	25.577	-0.010	-0.010	0.000	0.000	0.000	0.000
920	A	935	GLY	0	0.017	0.006	21.786	-0.019	-0.019	0.000	0.000	0.000	0.000
921	A	936	VAL	0	0.030	0.012	20.609	-0.014	-0.014	0.000	0.000	0.000	0.000
922	A	937	ALA	0	-0.020	-0.007	22.315	-0.007	-0.007	0.000	0.000	0.000	0.000
923	A	938	ALA	0	-0.032	-0.020	20.120	-0.016	-0.016	0.000	0.000	0.000	0.000
924	A	939	GLU	-1	-0.897	-0.947	17.065	-0.236	-0.236	0.000	0.000	0.000	0.000
925	A	940	PHE	0	0.083	0.041	18.429	-0.029	-0.029	0.000	0.000	0.000	0.000
926	A	941	GLY	0	-0.026	-0.029	20.448	-0.015	-0.015	0.000	0.000	0.000	0.000
927	A	942	VAL	0	0.023	0.002	14.030	-0.039	-0.039	0.000	0.000	0.000	0.000
928	A	943	VAL	0	0.017	0.014	15.938	-0.056	-0.056	0.000	0.000	0.000	0.000
929	A	944	MET	0	-0.083	-0.016	17.531	0.024	0.024	0.000	0.000	0.000	0.000
930	A	945	LEU	0	-0.036	0.001	16.558	0.007	0.007	0.000	0.000	0.000	0.000
931	A	946	MET	0	-0.003	-0.003	13.701	-0.064	-0.064	0.000	0.000	0.000	0.000
932	A	947	TYR	0	0.001	0.013	15.494	-0.031	-0.031	0.000	0.000	0.000	0.000
933	A	948	LEU	0	0.009	-0.002	18.079	0.017	0.017	0.000	0.000	0.000	0.000
934	A	949	ARG	1	0.880	0.953	12.734	0.910	0.910	0.000	0.000	0.000	0.000
935	A	950	HIS	1	0.887	0.917	10.553	0.835	0.835	0.000	0.000	0.000	0.000
936	A	951	ALA	0	0.038	0.030	15.751	0.038	0.038	0.000	0.000	0.000	0.000
937	A	952	ILE	0	-0.103	-0.049	19.016	0.034	0.034	0.000	0.000	0.000	0.000
938	A	953	GLU	-1	-0.913	-0.974	13.144	-0.933	-0.933	0.000	0.000	0.000	0.000
939	A	954	ALA	0	0.000	0.028	16.476	0.002	0.002	0.000	0.000	0.000	0.000
940	A	955	VAL	0	0.062	0.030	18.412	-0.006	-0.006	0.000	0.000	0.000	0.000
941	A	956	PRO	0	0.030	0.006	21.421	0.007	0.007	0.000	0.000	0.000	0.000
942	A	957	SER	0	-0.123	-0.053	19.137	-0.008	-0.008	0.000	0.000	0.000	0.000
943	A	958	LEU	0	0.030	0.019	19.984	-0.017	-0.017	0.000	0.000	0.000	0.000
944	A	959	ASN	0	-0.004	-0.029	22.985	0.002	0.002	0.000	0.000	0.000	0.000
945	A	960	ASN	0	-0.018	-0.012	23.621	0.015	0.015	0.000	0.000	0.000	0.000
946	A	961	PRO	0	0.019	0.010	21.071	0.006	0.006	0.000	0.000	0.000	0.000
947	A	962	GLN	0	-0.075	0.004	24.192	0.017	0.017	0.000	0.000	0.000	0.000
948	A	963	THR	0	-0.030	-0.022	26.824	0.012	0.012	0.000	0.000	0.000	0.000
949	A	964	PHE	0	0.058	0.021	28.739	-0.010	-0.010	0.000	0.000	0.000	0.000
950	A	965	SER	0	0.017	0.000	29.393	0.015	0.015	0.000	0.000	0.000	0.000
951	A	966	GLU	-1	-0.878	-0.942	30.105	-0.141	-0.141	0.000	0.000	0.000	0.000
952	A	967	GLN	0	0.049	0.018	30.918	-0.001	-0.001	0.000	0.000	0.000	0.000
953	A	968	LYS	1	0.863	0.934	27.880	0.124	0.124	0.000	0.000	0.000	0.000
954	A	969	LEU	0	0.017	0.008	25.798	-0.007	-0.007	0.000	0.000	0.000	0.000
955	A	970	ASP	-1	-0.821	-0.910	26.467	-0.164	-0.164	0.000	0.000	0.000	0.000
956	A	971	GLU	-1	-0.937	-0.969	28.261	-0.109	-0.109	0.000	0.000	0.000	0.000
957	A	972	ALA	0	-0.053	-0.026	23.312	0.002	0.002	0.000	0.000	0.000	0.000
958	A	973	LEU	0	-0.015	-0.022	23.637	-0.018	-0.018	0.000	0.000	0.000	0.000
959	A	974	TYR	0	0.017	0.000	25.382	0.005	0.005	0.000	0.000	0.000	0.000
960	A	975	HIS	0	0.027	0.013	20.324	0.002	0.002	0.000	0.000	0.000	0.000
961	A	976	GLY	0	0.000	0.007	21.659	0.005	0.005	0.000	0.000	0.000	0.000
962	A	977	ALA	0	0.007	-0.008	22.439	-0.006	-0.006	0.000	0.000	0.000	0.000
963	A	978	VAL	0	0.022	-0.009	25.584	0.008	0.008	0.000	0.000	0.000	0.000
964	A	979	LEU	0	-0.059	-0.026	18.721	0.014	0.014	0.000	0.000	0.000	0.000
965	A	980	ARG	1	0.911	0.996	21.342	0.167	0.167	0.000	0.000	0.000	0.000
966	A	981	VAL	0	-0.027	-0.009	22.692	0.011	0.011	0.000	0.000	0.000	0.000
967	A	982	ARG	1	0.844	0.932	22.979	0.024	0.024	0.000	0.000	0.000	0.000
968	A	983	PRO	0	0.057	0.010	19.264	0.012	0.012	0.000	0.000	0.000	0.000
969	A	984	LYN	0	0.029	0.020	21.439	-0.001	-0.001	0.000	0.000	0.000	0.000
970	A	985	ALA	0	-0.049	-0.026	23.351	0.007	0.007	0.000	0.000	0.000	0.000
971	A	986	MET	0	0.005	0.001	22.394	0.009	0.009	0.000	0.000	0.000	0.000
972	A	987	THR	0	0.031	0.030	20.170	0.011	0.011	0.000	0.000	0.000	0.000
973	A	988	VAL	0	-0.006	-0.022	23.112	0.001	0.001	0.000	0.000	0.000	0.000
974	A	989	ALA	0	-0.019	-0.003	26.188	0.005	0.005	0.000	0.000	0.000	0.000
975	A	990	VAL	0	-0.033	-0.022	22.891	0.007	0.007	0.000	0.000	0.000	0.000
976	A	991	ILE	0	0.015	0.016	22.583	0.005	0.005	0.000	0.000	0.000	0.000
977	A	992	ILE	0	-0.032	-0.018	26.029	0.004	0.004	0.000	0.000	0.000	0.000
978	A	993	ALA	0	-0.029	-0.014	29.518	0.004	0.004	0.000	0.000	0.000	0.000
979	A	994	GLY	0	0.008	-0.009	28.295	0.006	0.006	0.000	0.000	0.000	0.000
980	A	995	LEU	0	0.040	0.026	27.538	0.001	0.001	0.000	0.000	0.000	0.000
981	A	996	LEU	0	-0.037	-0.022	30.440	-0.001	-0.001	0.000	0.000	0.000	0.000
982	A	997	PRO	0	-0.001	0.003	32.540	0.000	0.000	0.000	0.000	0.000	0.000
983	A	998	ILE	0	-0.002	-0.005	31.512	0.001	0.001	0.000	0.000	0.000	0.000
984	A	999	LEU	0	-0.058	-0.014	35.361	-0.003	-0.003	0.000	0.000	0.000	0.000
985	A	1000	TRP	0	-0.034	-0.019	36.996	-0.002	-0.002	0.000	0.000	0.000	0.000
986	A	1001	GLY	0	0.031	-0.001	39.693	0.001	0.001	0.000	0.000	0.000	0.000
987	A	1002	THR	0	-0.023	-0.005	41.927	0.001	0.001	0.000	0.000	0.000	0.000
988	A	1003	GLY	0	0.052	0.019	42.865	0.002	0.002	0.000	0.000	0.000	0.000
989	A	1004	ALA	0	0.020	0.028	43.631	-0.003	-0.003	0.000	0.000	0.000	0.000
990	A	1005	GLY	0	0.058	0.007	40.118	0.001	0.001	0.000	0.000	0.000	0.000
991	A	1006	SER	0	-0.015	-0.008	39.166	-0.004	-0.004	0.000	0.000	0.000	0.000
992	A	1007	GLU	-1	-0.819	-0.913	39.479	-0.028	-0.028	0.000	0.000	0.000	0.000
993	A	1008	VAL	0	0.012	-0.016	36.922	-0.004	-0.004	0.000	0.000	0.000	0.000
994	A	1009	MET	0	-0.004	0.005	31.868	-0.005	-0.005	0.000	0.000	0.000	0.000
995	A	1010	SER	0	0.032	0.015	35.008	-0.004	-0.004	0.000	0.000	0.000	0.000
996	A	1011	ARG	1	0.920	0.956	37.287	0.037	0.037	0.000	0.000	0.000	0.000
997	A	1012	ILE	0	-0.059	-0.019	31.456	-0.006	-0.006	0.000	0.000	0.000	0.000
998	A	1013	ALA	0	0.023	0.019	32.077	-0.005	-0.005	0.000	0.000	0.000	0.000
999	A	1014	ALA	0	0.042	0.022	32.675	-0.006	-0.006	0.000	0.000	0.000	0.000
1000	A	1015	PRO	0	-0.004	-0.003	32.489	-0.004	-0.004	0.000	0.000	0.000	0.000
1001	A	1016	MET	0	0.007	-0.002	28.200	-0.010	-0.010	0.000	0.000	0.000	0.000
1002	A	1017	ILE	0	0.027	0.023	29.934	-0.006	-0.006	0.000	0.000	0.000	0.000
1003	A	1018	GLY	0	0.017	-0.004	31.979	-0.002	-0.002	0.000	0.000	0.000	0.000
1004	A	1019	GLY	0	0.009	-0.009	30.741	-0.004	-0.004	0.000	0.000	0.000	0.000
1005	A	1020	MET	0	-0.044	-0.022	25.349	-0.013	-0.013	0.000	0.000	0.000	0.000
1006	A	1021	ILE	0	0.005	0.003	29.315	0.001	0.001	0.000	0.000	0.000	0.000
1007	A	1022	THR	0	-0.015	-0.044	32.087	-0.001	-0.001	0.000	0.000	0.000	0.000
1008	A	1023	ALA	0	0.029	0.029	26.720	-0.008	-0.008	0.000	0.000	0.000	0.000
1009	A	1024	PRO	0	0.008	-0.002	26.728	-0.015	-0.015	0.000	0.000	0.000	0.000
1010	A	1025	LEU	0	-0.009	0.006	27.744	-0.007	-0.007	0.000	0.000	0.000	0.000
1011	A	1026	LEU	0	0.056	0.015	30.626	-0.002	-0.002	0.000	0.000	0.000	0.000
1012	A	1027	SER	0	0.012	0.009	24.929	-0.013	-0.013	0.000	0.000	0.000	0.000
1013	A	1028	LEU	0	0.011	-0.010	25.688	-0.017	-0.017	0.000	0.000	0.000	0.000
1014	A	1029	PHE	0	-0.070	-0.052	27.458	-0.002	-0.002	0.000	0.000	0.000	0.000
1015	A	1030	ILE	0	-0.008	-0.015	27.723	-0.003	-0.003	0.000	0.000	0.000	0.000
1016	A	1031	ILE	0	0.033	0.029	21.501	-0.007	-0.007	0.000	0.000	0.000	0.000
1017	A	1032	PRO	0	-0.011	-0.011	24.563	-0.016	-0.016	0.000	0.000	0.000	0.000
1018	A	1033	ALA	0	0.000	0.008	25.797	-0.008	-0.008	0.000	0.000	0.000	0.000
1019	A	1034	ALA	0	0.010	0.010	25.990	0.006	0.006	0.000	0.000	0.000	0.000
1020	A	1035	TYR	0	-0.011	-0.005	17.690	-0.029	-0.029	0.000	0.000	0.000	0.000
1021	A	1036	LYS	1	0.896	0.935	24.168	0.149	0.149	0.000	0.000	0.000	0.000
1022	A	1037	LEU	0	-0.026	-0.014	26.704	0.008	0.008	0.000	0.000	0.000	0.000
1023	A	1038	MET	0	-0.024	-0.025	24.025	-0.008	-0.008	0.000	0.000	0.000	0.000
1024	A	1039	TRP	0	-0.068	-0.026	19.594	-0.014	-0.014	0.000	0.000	0.000	0.000
1025	A	1040	LEU	0	0.020	0.000	24.840	0.004	0.004	0.000	0.000	0.000	0.000
1026	A	1041	HIS	0	-0.011	0.017	26.926	0.012	0.012	0.000	0.000	0.000	0.000
1027	A	1042	ARG	1	0.895	0.942	20.315	0.388	0.388	0.000	0.000	0.000	0.000
1028	A	1043	HIS	0	0.012	0.041	23.596	0.015	0.015	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(A:4:TRP)