FMO DATABASE

FMODB ID: N922Q

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	OptAll
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	-28896591.851021
FMO2-HF: Nuclear repulsion	28503619.286132
FMO2-HF: Total energy	-392972.564889
FMO2-MP2: Total energy	-394121.847821

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.
-25.094	-25.837	11.364	-5.204	-5.418	0.037

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 : 0.066 / q_NPA : 0.025

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	0.086	0.050	3.146	-0.248	1.443	0.027	-0.671	-1.047	0.000
4	A	7	ARG	1	0.929	0.944	1.971	-22.733	-25.914	11.337	-4.451	-3.705	0.037
5	A	8	ARG	1	0.932	0.967	3.970	-2.862	-2.451	0.001	-0.050	-0.363	0.000
6	A	9	SER	0	-0.009	-0.025	7.530	-0.106	-0.106	0.000	0.000	0.000	0.000
7	A	10	VAL	0	0.034	0.020	9.005	-0.085	-0.085	0.000	0.000	0.000	0.000
8	A	11	ALA	0	-0.022	-0.003	10.973	-0.086	-0.086	0.000	0.000	0.000	0.000
9	A	12	ASN	0	-0.027	-0.004	11.576	-0.069	-0.069	0.000	0.000	0.000	0.000
10	A	13	ARG	1	0.934	0.959	14.455	-0.573	-0.573	0.000	0.000	0.000	0.000
11	A	14	PHE	0	0.030	0.023	16.451	-0.041	-0.041	0.000	0.000	0.000	0.000
12	A	15	LEU	0	0.068	0.013	18.915	-0.027	-0.027	0.000	0.000	0.000	0.000
13	A	16	VAL	0	0.010	0.019	14.119	-0.030	-0.030	0.000	0.000	0.000	0.000
14	A	17	LEU	0	0.002	0.014	17.508	-0.033	-0.033	0.000	0.000	0.000	0.000
15	A	18	MET	0	0.011	-0.005	20.450	-0.019	-0.019	0.000	0.000	0.000	0.000
16	A	19	GLY	0	0.010	0.016	20.015	-0.017	-0.017	0.000	0.000	0.000	0.000
17	A	20	ALA	0	0.009	-0.002	19.196	-0.021	-0.021	0.000	0.000	0.000	0.000
18	A	21	LEU	0	-0.020	-0.001	21.039	-0.017	-0.017	0.000	0.000	0.000	0.000
19	A	22	PHE	0	0.013	-0.004	24.310	-0.012	-0.012	0.000	0.000	0.000	0.000
20	A	23	LEU	0	-0.001	-0.003	19.565	-0.011	-0.011	0.000	0.000	0.000	0.000
21	A	24	SER	0	0.032	0.010	23.627	-0.013	-0.013	0.000	0.000	0.000	0.000
22	A	25	ILE	0	-0.018	0.003	25.674	-0.009	-0.009	0.000	0.000	0.000	0.000
23	A	26	TRP	0	0.003	0.001	25.671	-0.005	-0.005	0.000	0.000	0.000	0.000
24	A	27	GLY	0	0.024	-0.001	26.719	-0.006	-0.006	0.000	0.000	0.000	0.000
25	A	28	THR	0	-0.030	-0.032	27.563	-0.007	-0.007	0.000	0.000	0.000	0.000
26	A	29	TRP	0	-0.018	-0.001	30.650	-0.003	-0.003	0.000	0.000	0.000	0.000
27	A	30	THR	0	0.037	0.013	28.399	-0.003	-0.003	0.000	0.000	0.000	0.000
28	A	31	ILE	0	-0.018	0.014	30.507	-0.004	-0.004	0.000	0.000	0.000	0.000
29	A	32	ILE	0	-0.052	-0.023	32.357	-0.002	-0.002	0.000	0.000	0.000	0.000
30	A	33	ASN	0	-0.067	-0.037	34.787	-0.001	-0.001	0.000	0.000	0.000	0.000
31	A	34	THR	0	-0.031	-0.020	32.765	-0.003	-0.003	0.000	0.000	0.000	0.000
32	A	35	PRO	0	0.015	0.018	35.075	-0.001	-0.001	0.000	0.000	0.000	0.000
33	A	36	VAL	0	0.035	0.000	36.729	-0.003	-0.003	0.000	0.000	0.000	0.000
34	A	37	ASP	-1	-0.803	-0.906	38.963	-0.027	-0.027	0.000	0.000	0.000	0.000
35	A	38	ALA	0	0.002	-0.002	39.639	-0.002	-0.002	0.000	0.000	0.000	0.000
36	A	39	LEU	0	-0.057	-0.037	38.916	-0.004	-0.004	0.000	0.000	0.000	0.000
37	A	40	PRO	0	-0.022	0.002	35.343	0.003	0.003	0.000	0.000	0.000	0.000
38	A	41	ASP	-1	-0.772	-0.865	37.853	-0.044	-0.044	0.000	0.000	0.000	0.000
39	A	42	LEU	0	-0.001	-0.009	39.353	-0.004	-0.004	0.000	0.000	0.000	0.000
40	A	43	SER	0	-0.100	-0.068	41.343	-0.002	-0.002	0.000	0.000	0.000	0.000
41	A	44	ASP	-1	-0.758	-0.864	42.494	-0.059	-0.059	0.000	0.000	0.000	0.000
42	A	45	VAL	0	-0.004	0.005	41.790	0.003	0.003	0.000	0.000	0.000	0.000
43	A	46	GLN	0	0.022	-0.003	44.702	-0.002	-0.002	0.000	0.000	0.000	0.000
44	A	47	VAL	0	-0.037	-0.005	48.478	0.002	0.002	0.000	0.000	0.000	0.000
45	A	48	ILE	0	-0.028	-0.004	51.161	-0.001	-0.001	0.000	0.000	0.000	0.000
46	A	49	ILE	0	0.008	0.000	54.698	0.001	0.001	0.000	0.000	0.000	0.000
47	A	50	LYS	1	0.858	0.928	57.841	0.021	0.021	0.000	0.000	0.000	0.000
48	A	51	THR	0	0.015	0.004	61.459	0.001	0.001	0.000	0.000	0.000	0.000
49	A	52	SER	0	-0.036	-0.031	64.673	0.000	0.000	0.000	0.000	0.000	0.000
50	A	53	TYR	0	0.019	-0.004	68.114	0.001	0.001	0.000	0.000	0.000	0.000
51	A	54	PRO	0	0.065	0.027	70.991	0.000	0.000	0.000	0.000	0.000	0.000
52	A	55	GLY	0	-0.003	-0.007	73.862	0.000	0.000	0.000	0.000	0.000	0.000
53	A	56	GLN	0	-0.058	-0.009	72.956	0.000	0.000	0.000	0.000	0.000	0.000
54	A	57	ALA	0	0.043	0.010	73.419	0.000	0.000	0.000	0.000	0.000	0.000
55	A	58	PRO	0	0.040	0.019	69.677	0.000	0.000	0.000	0.000	0.000	0.000
56	A	59	GLN	0	0.014	0.003	69.568	0.000	0.000	0.000	0.000	0.000	0.000
57	A	60	ILE	0	-0.012	0.003	70.697	0.000	0.000	0.000	0.000	0.000	0.000
58	A	61	VAL	0	-0.011	0.001	67.056	0.000	0.000	0.000	0.000	0.000	0.000
59	A	62	GLU	-1	-0.789	-0.849	63.604	-0.031	-0.031	0.000	0.000	0.000	0.000
60	A	63	ASN	0	-0.032	-0.023	66.411	-0.001	-0.001	0.000	0.000	0.000	0.000
61	A	64	GLN	0	-0.046	-0.027	68.176	0.000	0.000	0.000	0.000	0.000	0.000
62	A	65	VAL	0	0.030	0.013	64.639	0.001	0.001	0.000	0.000	0.000	0.000
63	A	66	THR	0	0.040	0.016	61.601	0.000	0.000	0.000	0.000	0.000	0.000
64	A	67	TYR	0	0.013	0.036	61.590	-0.001	-0.001	0.000	0.000	0.000	0.000
65	A	68	PRO	0	0.000	0.017	61.614	-0.001	-0.001	0.000	0.000	0.000	0.000
66	A	69	LEU	0	0.031	0.022	59.729	0.000	0.000	0.000	0.000	0.000	0.000
67	A	70	THR	0	-0.016	-0.031	57.340	-0.001	-0.001	0.000	0.000	0.000	0.000
68	A	71	THR	0	-0.039	-0.038	56.463	-0.001	-0.001	0.000	0.000	0.000	0.000
69	A	72	THR	0	-0.009	0.005	56.600	-0.001	-0.001	0.000	0.000	0.000	0.000
70	A	73	MET	0	-0.001	0.004	53.939	-0.001	-0.001	0.000	0.000	0.000	0.000
71	A	74	LEU	0	-0.035	-0.014	52.059	-0.001	-0.001	0.000	0.000	0.000	0.000
72	A	75	SER	0	-0.059	-0.026	51.308	-0.002	-0.002	0.000	0.000	0.000	0.000
73	A	76	VAL	0	0.016	0.018	48.694	0.000	0.000	0.000	0.000	0.000	0.000
74	A	77	PRO	0	-0.053	-0.042	45.453	-0.002	-0.002	0.000	0.000	0.000	0.000
75	A	78	GLY	0	0.076	0.040	43.756	0.001	0.001	0.000	0.000	0.000	0.000
76	A	79	ALA	0	-0.034	-0.006	44.665	-0.001	-0.001	0.000	0.000	0.000	0.000
77	A	80	LYS	1	0.788	0.901	42.248	0.059	0.059	0.000	0.000	0.000	0.000
78	A	81	THR	0	-0.005	-0.012	46.270	-0.002	-0.002	0.000	0.000	0.000	0.000
79	A	82	VAL	0	-0.019	-0.007	49.884	0.001	0.001	0.000	0.000	0.000	0.000
80	A	83	ARG	1	0.837	0.904	49.348	0.046	0.046	0.000	0.000	0.000	0.000
81	A	84	GLY	0	0.011	-0.002	55.742	0.001	0.001	0.000	0.000	0.000	0.000
82	A	85	PHE	0	0.016	0.001	57.199	-0.001	-0.001	0.000	0.000	0.000	0.000
83	A	86	SER	0	0.019	-0.007	62.292	0.001	0.001	0.000	0.000	0.000	0.000
84	A	87	GLN	0	0.028	-0.002	65.889	-0.001	-0.001	0.000	0.000	0.000	0.000
85	A	88	PHE	0	0.005	-0.014	68.432	0.000	0.000	0.000	0.000	0.000	0.000
86	A	89	GLY	0	-0.017	0.006	71.625	0.000	0.000	0.000	0.000	0.000	0.000
87	A	90	ASP	-1	-0.794	-0.871	66.362	-0.021	-0.021	0.000	0.000	0.000	0.000
88	A	91	SER	0	-0.021	-0.012	63.495	-0.001	-0.001	0.000	0.000	0.000	0.000
89	A	92	TYR	0	0.011	-0.001	59.709	0.001	0.001	0.000	0.000	0.000	0.000
90	A	93	VAL	0	-0.008	-0.013	56.207	-0.001	-0.001	0.000	0.000	0.000	0.000
91	A	94	TYR	0	-0.015	-0.013	53.356	0.001	0.001	0.000	0.000	0.000	0.000
92	A	95	VAL	0	0.027	0.014	50.050	-0.002	-0.002	0.000	0.000	0.000	0.000
93	A	96	ILE	0	-0.011	0.000	46.275	0.001	0.001	0.000	0.000	0.000	0.000
94	A	97	PHE	0	-0.002	-0.013	44.031	0.000	0.000	0.000	0.000	0.000	0.000
95	A	98	GLU	-1	-0.905	-0.958	40.329	-0.066	-0.066	0.000	0.000	0.000	0.000
96	A	99	ASP	-1	-0.846	-0.930	37.692	-0.065	-0.065	0.000	0.000	0.000	0.000
97	A	100	GLY	0	0.017	0.006	36.446	-0.005	-0.005	0.000	0.000	0.000	0.000
98	A	101	THR	0	-0.091	-0.041	37.095	0.002	0.002	0.000	0.000	0.000	0.000
99	A	102	ASP	-1	-0.792	-0.893	39.456	-0.034	-0.034	0.000	0.000	0.000	0.000
100	A	103	PRO	0	0.033	0.004	40.742	0.001	0.001	0.000	0.000	0.000	0.000
101	A	104	TYR	0	-0.042	-0.045	43.097	0.001	0.001	0.000	0.000	0.000	0.000
102	A	105	TRP	0	0.031	0.026	42.790	0.002	0.002	0.000	0.000	0.000	0.000
103	A	106	ALA	0	0.010	0.015	44.715	0.001	0.001	0.000	0.000	0.000	0.000
104	A	107	ARG	1	0.843	0.900	46.519	0.027	0.027	0.000	0.000	0.000	0.000
105	A	108	SER	0	-0.054	-0.033	47.822	0.002	0.002	0.000	0.000	0.000	0.000
106	A	109	ARG	1	0.792	0.880	45.253	0.035	0.035	0.000	0.000	0.000	0.000
107	A	110	VAL	0	0.013	0.001	49.447	0.000	0.000	0.000	0.000	0.000	0.000
108	A	111	LEU	0	-0.004	0.006	52.281	0.001	0.001	0.000	0.000	0.000	0.000
109	A	112	GLU	-1	-0.842	-0.907	50.436	-0.030	-0.030	0.000	0.000	0.000	0.000
110	A	113	TYR	0	0.005	-0.023	51.405	0.001	0.001	0.000	0.000	0.000	0.000
111	A	114	LEU	0	-0.033	-0.019	55.421	0.000	0.000	0.000	0.000	0.000	0.000
112	A	115	ASN	0	-0.031	-0.005	57.638	0.001	0.001	0.000	0.000	0.000	0.000
113	A	116	GLN	0	-0.003	-0.001	56.075	0.000	0.000	0.000	0.000	0.000	0.000
114	A	117	VAL	0	-0.041	-0.016	59.499	0.000	0.000	0.000	0.000	0.000	0.000
115	A	118	GLN	0	0.015	0.008	61.370	0.001	0.001	0.000	0.000	0.000	0.000
116	A	119	GLY	0	0.003	0.004	63.868	0.001	0.001	0.000	0.000	0.000	0.000
117	A	120	LYS	1	0.804	0.905	61.076	0.029	0.029	0.000	0.000	0.000	0.000
118	A	121	LEU	0	0.004	0.022	64.059	-0.001	-0.001	0.000	0.000	0.000	0.000
119	A	122	PRO	0	-0.021	-0.015	67.928	0.001	0.001	0.000	0.000	0.000	0.000
120	A	123	ALA	0	0.011	-0.006	70.823	0.000	0.000	0.000	0.000	0.000	0.000
121	A	124	GLY	0	-0.027	-0.006	72.451	0.001	0.001	0.000	0.000	0.000	0.000
122	A	125	VAL	0	-0.066	-0.025	67.650	0.000	0.000	0.000	0.000	0.000	0.000
123	A	126	SER	0	0.006	0.000	64.948	0.000	0.000	0.000	0.000	0.000	0.000
124	A	127	ALA	0	-0.049	-0.021	61.312	0.000	0.000	0.000	0.000	0.000	0.000
125	A	128	GLU	-1	-0.846	-0.914	61.013	-0.019	-0.019	0.000	0.000	0.000	0.000
126	A	129	LEU	0	-0.035	-0.027	53.514	-0.001	-0.001	0.000	0.000	0.000	0.000
127	A	130	GLY	0	0.028	0.017	56.164	0.001	0.001	0.000	0.000	0.000	0.000
128	A	131	PRO	0	0.036	0.031	54.461	0.000	0.000	0.000	0.000	0.000	0.000
129	A	132	ASP	-1	-0.804	-0.892	48.821	-0.026	-0.026	0.000	0.000	0.000	0.000
130	A	133	ALA	0	-0.013	0.014	49.139	-0.001	-0.001	0.000	0.000	0.000	0.000
131	A	134	THR	0	0.063	0.024	48.777	0.000	0.000	0.000	0.000	0.000	0.000
132	A	135	GLY	0	0.080	0.036	51.651	0.001	0.001	0.000	0.000	0.000	0.000
133	A	136	VAL	0	0.017	0.001	46.182	0.001	0.001	0.000	0.000	0.000	0.000
134	A	137	GLY	0	0.014	0.015	49.109	0.000	0.000	0.000	0.000	0.000	0.000
135	A	138	TRP	0	0.000	0.001	50.163	0.002	0.002	0.000	0.000	0.000	0.000
136	A	139	ILE	0	-0.030	-0.012	48.039	-0.001	-0.001	0.000	0.000	0.000	0.000
137	A	140	TYR	0	-0.015	-0.012	51.715	0.000	0.000	0.000	0.000	0.000	0.000
138	A	141	GLU	-1	-0.865	-0.942	54.702	-0.021	-0.021	0.000	0.000	0.000	0.000
139	A	142	TYR	0	-0.007	-0.023	58.291	0.000	0.000	0.000	0.000	0.000	0.000
140	A	143	ALA	0	0.027	0.019	61.628	0.000	0.000	0.000	0.000	0.000	0.000
141	A	144	LEU	0	-0.032	-0.018	65.398	0.001	0.001	0.000	0.000	0.000	0.000
142	A	145	VAL	0	-0.001	-0.004	68.209	0.000	0.000	0.000	0.000	0.000	0.000
143	A	146	ASP	-1	-0.691	-0.816	71.170	-0.007	-0.007	0.000	0.000	0.000	0.000
144	A	147	ARG	1	0.826	0.880	70.661	0.011	0.011	0.000	0.000	0.000	0.000
145	A	148	SER	0	-0.105	-0.073	75.800	0.000	0.000	0.000	0.000	0.000	0.000
146	A	149	GLY	0	-0.015	-0.010	77.888	0.000	0.000	0.000	0.000	0.000	0.000
147	A	150	LYS	1	0.742	0.882	78.338	0.005	0.005	0.000	0.000	0.000	0.000
148	A	151	HIS	0	-0.032	-0.025	75.705	0.001	0.001	0.000	0.000	0.000	0.000
149	A	152	ASP	-1	-0.820	-0.918	77.089	-0.010	-0.010	0.000	0.000	0.000	0.000
150	A	153	LEU	0	-0.018	-0.014	73.625	0.000	0.000	0.000	0.000	0.000	0.000
151	A	154	ALA	0	0.001	0.003	74.156	-0.001	-0.001	0.000	0.000	0.000	0.000
152	A	155	ASP	-1	-0.841	-0.896	75.115	-0.008	-0.008	0.000	0.000	0.000	0.000
153	A	156	LEU	0	-0.028	-0.020	71.221	0.000	0.000	0.000	0.000	0.000	0.000
154	A	157	ARG	1	0.821	0.890	68.060	0.014	0.014	0.000	0.000	0.000	0.000
155	A	158	SER	0	-0.027	-0.012	70.299	0.000	0.000	0.000	0.000	0.000	0.000
156	A	159	LEU	0	0.006	0.016	68.900	0.000	0.000	0.000	0.000	0.000	0.000
157	A	160	GLN	0	0.041	0.038	62.631	0.001	0.001	0.000	0.000	0.000	0.000
158	A	161	ASP	-1	-0.817	-0.887	66.118	-0.013	-0.013	0.000	0.000	0.000	0.000
159	A	162	TRP	0	-0.020	-0.017	67.340	0.000	0.000	0.000	0.000	0.000	0.000
160	A	163	PHE	0	0.001	0.013	66.903	0.001	0.001	0.000	0.000	0.000	0.000
161	A	164	LEU	0	0.036	0.020	63.496	0.000	0.000	0.000	0.000	0.000	0.000
162	A	165	LYS	1	0.825	0.920	62.186	0.014	0.014	0.000	0.000	0.000	0.000
163	A	166	TYR	0	-0.061	-0.033	61.348	-0.001	-0.001	0.000	0.000	0.000	0.000
164	A	167	GLU	-1	-0.819	-0.907	60.876	-0.004	-0.004	0.000	0.000	0.000	0.000
165	A	168	LEU	0	0.001	0.003	57.962	0.000	0.000	0.000	0.000	0.000	0.000
166	A	169	LYS	1	0.940	0.970	56.571	0.012	0.012	0.000	0.000	0.000	0.000
167	A	170	THR	0	-0.056	-0.024	56.338	0.000	0.000	0.000	0.000	0.000	0.000
168	A	171	ILE	0	-0.024	0.009	51.813	0.001	0.001	0.000	0.000	0.000	0.000
169	A	172	PRO	0	0.036	0.000	48.823	-0.001	-0.001	0.000	0.000	0.000	0.000
170	A	173	ASP	-1	-0.801	-0.898	45.505	-0.016	-0.016	0.000	0.000	0.000	0.000
171	A	174	VAL	0	0.025	0.032	48.977	-0.002	-0.002	0.000	0.000	0.000	0.000
172	A	175	ALA	0	-0.078	-0.033	51.312	0.001	0.001	0.000	0.000	0.000	0.000
173	A	176	GLU	-1	-0.824	-0.895	53.247	-0.021	-0.021	0.000	0.000	0.000	0.000
174	A	177	VAL	0	0.016	0.014	56.326	0.000	0.000	0.000	0.000	0.000	0.000
175	A	178	ALA	0	0.009	0.025	59.101	0.001	0.001	0.000	0.000	0.000	0.000
176	A	179	SER	0	-0.009	-0.040	61.149	0.001	0.001	0.000	0.000	0.000	0.000
177	A	180	VAL	0	-0.013	-0.007	63.119	-0.001	-0.001	0.000	0.000	0.000	0.000
178	A	181	GLY	0	0.039	0.028	65.638	0.001	0.001	0.000	0.000	0.000	0.000
179	A	182	GLY	0	0.039	0.024	69.089	0.000	0.000	0.000	0.000	0.000	0.000
180	A	183	VAL	0	-0.053	-0.028	72.060	-0.001	-0.001	0.000	0.000	0.000	0.000
181	A	184	VAL	0	0.019	0.019	72.049	0.001	0.001	0.000	0.000	0.000	0.000
182	A	185	LYS	1	0.820	0.904	74.688	0.008	0.008	0.000	0.000	0.000	0.000
183	A	186	GLU	-1	-0.805	-0.895	77.829	-0.013	-0.013	0.000	0.000	0.000	0.000
184	A	187	TYR	0	-0.032	-0.049	80.160	0.000	0.000	0.000	0.000	0.000	0.000
185	A	188	GLN	0	-0.030	-0.019	82.115	0.000	0.000	0.000	0.000	0.000	0.000
186	A	189	VAL	0	0.020	0.002	85.526	0.000	0.000	0.000	0.000	0.000	0.000
187	A	190	VAL	0	-0.024	-0.019	88.633	0.000	0.000	0.000	0.000	0.000	0.000
188	A	191	ILE	0	0.028	0.001	90.591	0.000	0.000	0.000	0.000	0.000	0.000
189	A	192	ASP	-1	-0.787	-0.906	93.148	-0.010	-0.010	0.000	0.000	0.000	0.000
190	A	193	PRO	0	-0.017	-0.018	95.005	0.000	0.000	0.000	0.000	0.000	0.000
191	A	194	GLN	0	-0.059	-0.040	97.426	0.000	0.000	0.000	0.000	0.000	0.000
192	A	195	ARG	1	0.892	0.944	99.376	0.008	0.008	0.000	0.000	0.000	0.000
193	A	196	LEU	0	-0.006	0.011	94.649	0.000	0.000	0.000	0.000	0.000	0.000
194	A	197	ALA	0	0.023	0.019	99.262	0.000	0.000	0.000	0.000	0.000	0.000
195	A	198	GLN	0	-0.058	-0.033	102.545	0.000	0.000	0.000	0.000	0.000	0.000
196	A	199	TYR	0	-0.011	-0.001	101.696	0.000	0.000	0.000	0.000	0.000	0.000
197	A	200	GLY	0	0.001	0.005	102.759	0.000	0.000	0.000	0.000	0.000	0.000
198	A	201	ILE	0	-0.079	-0.028	96.643	0.000	0.000	0.000	0.000	0.000	0.000
199	A	202	SER	0	0.021	-0.023	95.314	0.000	0.000	0.000	0.000	0.000	0.000
200	A	203	LEU	0	0.037	-0.003	89.052	0.000	0.000	0.000	0.000	0.000	0.000
201	A	204	ALA	0	0.034	0.023	90.447	0.000	0.000	0.000	0.000	0.000	0.000
202	A	205	GLU	-1	-0.798	-0.855	91.262	-0.009	-0.009	0.000	0.000	0.000	0.000
203	A	206	VAL	0	0.007	-0.002	91.044	0.000	0.000	0.000	0.000	0.000	0.000
204	A	207	LYS	1	0.821	0.897	83.017	0.011	0.011	0.000	0.000	0.000	0.000
205	A	208	SER	0	0.001	-0.016	88.128	0.000	0.000	0.000	0.000	0.000	0.000
206	A	209	ALA	0	0.003	0.009	89.496	0.000	0.000	0.000	0.000	0.000	0.000
207	A	210	LEU	0	-0.032	-0.001	84.955	0.000	0.000	0.000	0.000	0.000	0.000
208	A	211	ASP	-1	-0.836	-0.915	83.760	-0.010	-0.010	0.000	0.000	0.000	0.000
209	A	212	ALA	0	-0.079	-0.025	85.445	0.000	0.000	0.000	0.000	0.000	0.000
210	A	213	SER	0	-0.038	-0.025	87.312	0.001	0.001	0.000	0.000	0.000	0.000
211	A	214	ASN	0	0.010	-0.019	81.450	0.000	0.000	0.000	0.000	0.000	0.000
212	A	215	GLN	0	0.003	0.005	81.934	0.000	0.000	0.000	0.000	0.000	0.000
213	A	216	GLU	-1	-0.852	-0.883	81.990	-0.004	-0.004	0.000	0.000	0.000	0.000
214	A	217	ALA	0	-0.020	-0.017	83.151	0.000	0.000	0.000	0.000	0.000	0.000
215	A	218	GLY	0	0.032	0.007	83.313	0.000	0.000	0.000	0.000	0.000	0.000
216	A	219	GLY	0	-0.049	-0.012	84.316	0.000	0.000	0.000	0.000	0.000	0.000
217	A	220	SER	0	-0.037	-0.029	83.667	0.000	0.000	0.000	0.000	0.000	0.000
218	A	221	SER	0	-0.042	-0.053	83.768	0.000	0.000	0.000	0.000	0.000	0.000
219	A	222	ILE	0	-0.029	-0.002	86.182	0.000	0.000	0.000	0.000	0.000	0.000
220	A	223	GLU	-1	-0.893	-0.943	88.003	0.002	0.002	0.000	0.000	0.000	0.000
221	A	224	LEU	0	-0.063	-0.041	89.403	0.000	0.000	0.000	0.000	0.000	0.000
222	A	225	ALA	0	-0.035	-0.030	90.365	0.000	0.000	0.000	0.000	0.000	0.000
223	A	226	GLU	-1	-0.935	-0.954	88.124	0.004	0.004	0.000	0.000	0.000	0.000
224	A	227	ALA	0	-0.019	0.004	85.812	0.000	0.000	0.000	0.000	0.000	0.000
225	A	228	GLU	-1	-0.870	-0.914	81.938	0.000	0.000	0.000	0.000	0.000	0.000
226	A	229	TYR	0	-0.050	-0.023	84.967	0.000	0.000	0.000	0.000	0.000	0.000
227	A	230	MET	0	0.027	-0.002	79.977	0.000	0.000	0.000	0.000	0.000	0.000
228	A	231	VAL	0	-0.020	0.001	84.691	0.000	0.000	0.000	0.000	0.000	0.000
229	A	232	ARG	1	0.840	0.909	81.928	0.003	0.003	0.000	0.000	0.000	0.000
230	A	233	ALA	0	-0.021	-0.003	85.416	0.000	0.000	0.000	0.000	0.000	0.000
231	A	234	SER	0	0.011	-0.016	85.919	0.000	0.000	0.000	0.000	0.000	0.000
232	A	235	GLY	0	0.029	0.001	86.162	0.000	0.000	0.000	0.000	0.000	0.000
233	A	236	TYR	0	-0.016	0.002	78.918	-0.001	-0.001	0.000	0.000	0.000	0.000
234	A	237	LEU	0	-0.019	0.002	84.120	0.000	0.000	0.000	0.000	0.000	0.000
235	A	238	GLN	0	-0.040	-0.026	83.651	0.000	0.000	0.000	0.000	0.000	0.000
236	A	239	THR	0	-0.044	-0.037	84.933	0.000	0.000	0.000	0.000	0.000	0.000
237	A	240	LEU	0	-0.005	-0.015	87.241	0.000	0.000	0.000	0.000	0.000	0.000
238	A	241	ASP	-1	-0.820	-0.917	89.618	-0.006	-0.006	0.000	0.000	0.000	0.000
239	A	242	ASP	-1	-0.751	-0.848	88.250	-0.006	-0.006	0.000	0.000	0.000	0.000
240	A	243	PHE	0	0.003	-0.010	84.038	0.000	0.000	0.000	0.000	0.000	0.000
241	A	244	ASN	0	-0.070	-0.050	90.293	-0.001	-0.001	0.000	0.000	0.000	0.000
242	A	245	HIS	0	-0.057	-0.043	93.815	0.000	0.000	0.000	0.000	0.000	0.000
243	A	246	ILE	0	0.048	0.045	89.082	0.000	0.000	0.000	0.000	0.000	0.000
244	A	247	VAL	0	-0.029	-0.013	93.264	0.000	0.000	0.000	0.000	0.000	0.000
245	A	248	LEU	0	-0.016	-0.012	94.008	0.000	0.000	0.000	0.000	0.000	0.000
246	A	249	LYS	1	0.856	0.915	97.099	0.008	0.008	0.000	0.000	0.000	0.000
247	A	250	ALA	0	0.010	0.013	100.650	0.000	0.000	0.000	0.000	0.000	0.000
248	A	251	SER	0	-0.027	-0.023	103.390	0.000	0.000	0.000	0.000	0.000	0.000
249	A	252	GLU	-1	-0.900	-0.956	107.153	-0.005	-0.005	0.000	0.000	0.000	0.000
250	A	253	ASN	0	-0.059	-0.029	109.687	0.000	0.000	0.000	0.000	0.000	0.000
251	A	254	GLY	0	0.015	0.014	106.649	0.000	0.000	0.000	0.000	0.000	0.000
252	A	255	VAL	0	-0.038	-0.012	105.700	0.000	0.000	0.000	0.000	0.000	0.000
253	A	256	PRO	0	0.004	0.005	101.430	0.000	0.000	0.000	0.000	0.000	0.000
254	A	257	VAL	0	-0.047	-0.014	100.419	0.000	0.000	0.000	0.000	0.000	0.000
255	A	258	TYR	0	0.018	0.000	97.007	0.000	0.000	0.000	0.000	0.000	0.000
256	A	259	LEU	0	0.045	0.033	91.753	0.000	0.000	0.000	0.000	0.000	0.000
257	A	260	ARG	1	0.864	0.923	95.297	0.006	0.006	0.000	0.000	0.000	0.000
258	A	261	ASP	-1	-0.827	-0.890	96.990	-0.007	-0.007	0.000	0.000	0.000	0.000
259	A	262	VAL	0	-0.042	-0.029	95.647	0.000	0.000	0.000	0.000	0.000	0.000
260	A	263	ALA	0	-0.012	0.002	92.851	0.000	0.000	0.000	0.000	0.000	0.000
261	A	264	LYS	1	0.875	0.947	90.980	0.009	0.009	0.000	0.000	0.000	0.000
262	A	265	VAL	0	0.041	0.023	88.462	0.000	0.000	0.000	0.000	0.000	0.000
263	A	266	GLN	0	-0.065	-0.029	86.561	0.001	0.001	0.000	0.000	0.000	0.000
264	A	267	ILE	0	0.045	0.031	82.528	0.000	0.000	0.000	0.000	0.000	0.000
265	A	268	GLY	0	-0.021	-0.007	82.987	0.000	0.000	0.000	0.000	0.000	0.000
266	A	269	PRO	0	-0.029	-0.016	78.956	0.000	0.000	0.000	0.000	0.000	0.000
267	A	270	GLU	-1	-0.743	-0.841	73.697	-0.015	-0.015	0.000	0.000	0.000	0.000
268	A	271	MET	0	-0.069	-0.043	74.562	0.000	0.000	0.000	0.000	0.000	0.000
269	A	272	ARG	1	0.828	0.902	72.985	0.014	0.014	0.000	0.000	0.000	0.000
270	A	273	ARG	1	0.786	0.850	68.888	0.015	0.015	0.000	0.000	0.000	0.000
271	A	274	GLY	0	0.019	0.015	68.044	-0.001	-0.001	0.000	0.000	0.000	0.000
272	A	275	ILE	0	-0.075	-0.029	69.089	0.001	0.001	0.000	0.000	0.000	0.000
273	A	276	ALA	0	0.028	0.016	66.795	-0.001	-0.001	0.000	0.000	0.000	0.000
274	A	277	GLU	-1	-0.791	-0.896	67.668	-0.016	-0.016	0.000	0.000	0.000	0.000
275	A	278	LEU	0	0.009	0.013	65.323	-0.001	-0.001	0.000	0.000	0.000	0.000
276	A	279	ASN	0	-0.021	-0.039	66.313	0.000	0.000	0.000	0.000	0.000	0.000
277	A	280	GLY	0	0.022	0.019	68.305	0.000	0.000	0.000	0.000	0.000	0.000
278	A	281	GLU	-1	-0.891	-0.935	70.941	-0.012	-0.012	0.000	0.000	0.000	0.000
279	A	282	GLY	0	-0.008	-0.008	72.796	0.001	0.001	0.000	0.000	0.000	0.000
280	A	283	GLU	-1	-0.849	-0.913	71.887	-0.015	-0.015	0.000	0.000	0.000	0.000
281	A	284	VAL	0	-0.021	-0.009	67.763	0.001	0.001	0.000	0.000	0.000	0.000
282	A	285	ALA	0	0.045	0.019	69.367	-0.001	-0.001	0.000	0.000	0.000	0.000
283	A	286	GLY	0	0.042	0.014	65.213	0.000	0.000	0.000	0.000	0.000	0.000
284	A	287	GLY	0	-0.016	-0.006	62.471	0.000	0.000	0.000	0.000	0.000	0.000
285	A	288	VAL	0	0.002	0.014	56.746	0.000	0.000	0.000	0.000	0.000	0.000
286	A	289	VAL	0	-0.011	-0.003	53.490	0.000	0.000	0.000	0.000	0.000	0.000
287	A	290	ILE	0	-0.031	-0.012	53.008	-0.001	-0.001	0.000	0.000	0.000	0.000
288	A	291	LEU	0	-0.005	-0.007	45.859	0.001	0.001	0.000	0.000	0.000	0.000
289	A	292	ARG	1	0.820	0.899	46.398	0.017	0.017	0.000	0.000	0.000	0.000
290	A	293	SER	0	0.009	-0.033	45.628	-0.001	-0.001	0.000	0.000	0.000	0.000
291	A	294	GLY	0	-0.001	0.022	42.201	-0.002	-0.002	0.000	0.000	0.000	0.000
292	A	295	LYS	1	0.771	0.871	41.610	0.018	0.018	0.000	0.000	0.000	0.000
293	A	296	ASN	0	-0.022	-0.025	41.379	0.000	0.000	0.000	0.000	0.000	0.000
294	A	297	ALA	0	0.055	0.026	43.757	0.002	0.002	0.000	0.000	0.000	0.000
295	A	298	ARG	1	0.813	0.883	43.494	0.015	0.015	0.000	0.000	0.000	0.000
296	A	299	GLU	-1	-0.888	-0.935	44.089	-0.005	-0.005	0.000	0.000	0.000	0.000
297	A	300	VAL	0	0.004	-0.001	46.082	0.002	0.002	0.000	0.000	0.000	0.000
298	A	301	ILE	0	-0.026	-0.017	48.945	0.001	0.001	0.000	0.000	0.000	0.000
299	A	302	ALA	0	-0.038	-0.007	48.607	0.001	0.001	0.000	0.000	0.000	0.000
300	A	303	ALA	0	0.049	0.028	50.554	0.001	0.001	0.000	0.000	0.000	0.000
301	A	304	VAL	0	-0.018	-0.013	52.407	0.001	0.001	0.000	0.000	0.000	0.000
302	A	305	LYS	1	0.817	0.891	52.344	0.013	0.013	0.000	0.000	0.000	0.000
303	A	306	ASP	-1	-0.901	-0.943	54.187	0.000	0.000	0.000	0.000	0.000	0.000
304	A	307	LYS	1	0.853	0.918	56.141	0.005	0.005	0.000	0.000	0.000	0.000
305	A	308	LEU	0	0.024	-0.004	58.281	0.000	0.000	0.000	0.000	0.000	0.000
306	A	309	GLU	-1	-0.868	-0.909	58.741	-0.005	-0.005	0.000	0.000	0.000	0.000
307	A	310	THR	0	-0.034	-0.012	59.395	0.001	0.001	0.000	0.000	0.000	0.000
308	A	311	LEU	0	-0.014	-0.009	61.914	0.000	0.000	0.000	0.000	0.000	0.000
309	A	312	LYS	1	0.806	0.893	61.947	0.005	0.005	0.000	0.000	0.000	0.000
310	A	313	SER	0	-0.070	-0.036	66.095	0.000	0.000	0.000	0.000	0.000	0.000
311	A	314	SER	0	-0.046	-0.026	67.590	0.000	0.000	0.000	0.000	0.000	0.000
312	A	315	LEU	0	-0.023	0.002	65.727	-0.001	-0.001	0.000	0.000	0.000	0.000
313	A	316	PRO	0	0.020	0.009	69.988	0.000	0.000	0.000	0.000	0.000	0.000
314	A	317	GLU	-1	-0.885	-0.947	73.123	-0.003	-0.003	0.000	0.000	0.000	0.000
315	A	318	GLY	0	0.040	0.017	73.601	0.000	0.000	0.000	0.000	0.000	0.000
316	A	319	VAL	0	-0.050	-0.017	69.134	-0.001	-0.001	0.000	0.000	0.000	0.000
317	A	320	GLU	-1	-0.928	-0.957	66.991	-0.009	-0.009	0.000	0.000	0.000	0.000
318	A	321	ILE	0	-0.018	-0.017	62.726	-0.001	-0.001	0.000	0.000	0.000	0.000
319	A	322	VAL	0	-0.005	0.004	63.531	0.000	0.000	0.000	0.000	0.000	0.000
320	A	323	THR	0	-0.064	-0.040	57.922	-0.001	-0.001	0.000	0.000	0.000	0.000
321	A	324	THR	0	-0.023	-0.030	59.645	0.000	0.000	0.000	0.000	0.000	0.000
322	A	325	TYR	0	0.030	0.027	50.483	-0.001	-0.001	0.000	0.000	0.000	0.000
323	A	326	ASP	-1	-0.695	-0.807	52.586	-0.015	-0.015	0.000	0.000	0.000	0.000
324	A	327	ARG	1	0.927	0.970	46.499	0.030	0.030	0.000	0.000	0.000	0.000
325	A	328	SER	0	-0.026	-0.039	47.714	-0.001	-0.001	0.000	0.000	0.000	0.000
326	A	329	GLN	0	0.015	0.002	47.513	-0.001	-0.001	0.000	0.000	0.000	0.000
327	A	330	LEU	0	-0.044	-0.015	45.388	-0.001	-0.001	0.000	0.000	0.000	0.000
328	A	331	ILE	0	-0.048	-0.025	42.364	-0.002	-0.002	0.000	0.000	0.000	0.000
329	A	332	ASP	-1	-0.799	-0.879	42.803	-0.017	-0.017	0.000	0.000	0.000	0.000
330	A	333	ARG	1	0.926	0.947	43.380	0.027	0.027	0.000	0.000	0.000	0.000
331	A	334	ALA	0	-0.028	-0.003	41.112	-0.002	-0.002	0.000	0.000	0.000	0.000
332	A	335	ILE	0	-0.022	-0.014	36.410	-0.003	-0.003	0.000	0.000	0.000	0.000
333	A	336	ASP	-1	-0.856	-0.907	38.368	-0.017	-0.017	0.000	0.000	0.000	0.000
334	A	337	ASN	0	-0.076	-0.040	39.512	0.000	0.000	0.000	0.000	0.000	0.000
335	A	338	LEU	0	-0.009	-0.012	33.527	-0.002	-0.002	0.000	0.000	0.000	0.000
336	A	339	SER	0	-0.035	-0.023	34.618	-0.001	-0.001	0.000	0.000	0.000	0.000
337	A	340	GLY	0	-0.006	0.002	35.364	0.002	0.002	0.000	0.000	0.000	0.000
338	A	341	LYS	1	0.843	0.900	34.128	0.039	0.039	0.000	0.000	0.000	0.000
339	A	342	LEU	0	0.036	0.024	29.174	-0.001	-0.001	0.000	0.000	0.000	0.000
340	A	343	LEU	0	-0.043	-0.007	31.127	0.002	0.002	0.000	0.000	0.000	0.000
341	A	344	GLU	-1	-0.839	-0.918	33.353	-0.034	-0.034	0.000	0.000	0.000	0.000
342	A	345	GLU	-1	-0.829	-0.939	29.557	-0.059	-0.059	0.000	0.000	0.000	0.000
343	A	346	PHE	0	-0.043	-0.012	26.817	0.000	0.000	0.000	0.000	0.000	0.000
344	A	347	ILE	0	-0.005	-0.004	29.433	0.003	0.003	0.000	0.000	0.000	0.000
345	A	348	VAL	0	-0.003	0.000	31.298	0.001	0.001	0.000	0.000	0.000	0.000
346	A	349	VAL	0	0.015	0.004	25.200	-0.002	-0.002	0.000	0.000	0.000	0.000
347	A	350	ALA	0	-0.004	-0.008	27.557	0.000	0.000	0.000	0.000	0.000	0.000
348	A	351	VAL	0	-0.011	-0.010	28.575	0.004	0.004	0.000	0.000	0.000	0.000
349	A	352	VAL	0	0.001	-0.002	27.388	0.001	0.001	0.000	0.000	0.000	0.000
350	A	353	CYS	0	-0.022	-0.007	24.215	0.000	0.000	0.000	0.000	0.000	0.000
351	A	354	ALA	0	0.014	0.000	26.131	0.005	0.005	0.000	0.000	0.000	0.000
352	A	355	LEU	0	-0.060	-0.024	28.331	0.005	0.005	0.000	0.000	0.000	0.000
353	A	356	PHE	0	-0.029	-0.003	25.643	-0.006	-0.006	0.000	0.000	0.000	0.000
354	A	357	LEU	0	-0.040	-0.015	21.113	0.002	0.002	0.000	0.000	0.000	0.000
355	A	358	TRP	0	0.056	0.019	25.532	0.007	0.007	0.000	0.000	0.000	0.000
356	A	359	HIS	0	0.007	0.027	24.551	0.017	0.017	0.000	0.000	0.000	0.000
357	A	360	VAL	0	0.109	0.031	25.985	0.002	0.002	0.000	0.000	0.000	0.000
358	A	361	ARG	1	0.900	0.946	24.672	-0.125	-0.125	0.000	0.000	0.000	0.000
359	A	362	SER	0	0.021	-0.004	21.786	0.011	0.011	0.000	0.000	0.000	0.000
360	A	363	ALA	0	0.012	0.019	21.914	-0.009	-0.009	0.000	0.000	0.000	0.000
361	A	364	LEU	0	0.013	-0.003	23.992	-0.006	-0.006	0.000	0.000	0.000	0.000
362	A	365	VAL	0	-0.037	-0.010	17.753	0.001	0.001	0.000	0.000	0.000	0.000
363	A	366	ALA	0	0.001	0.001	20.123	-0.007	-0.007	0.000	0.000	0.000	0.000
364	A	367	ILE	0	0.011	0.007	21.138	-0.009	-0.009	0.000	0.000	0.000	0.000
365	A	368	ILE	0	-0.008	-0.014	21.004	-0.003	-0.003	0.000	0.000	0.000	0.000
366	A	369	SER	0	-0.027	-0.024	18.495	0.007	0.007	0.000	0.000	0.000	0.000
367	A	370	LEU	0	-0.013	0.011	20.179	-0.006	-0.006	0.000	0.000	0.000	0.000
368	A	371	PRO	0	0.033	0.014	23.265	-0.002	-0.002	0.000	0.000	0.000	0.000
369	A	372	LEU	0	0.009	0.011	19.677	0.003	0.003	0.000	0.000	0.000	0.000
370	A	373	GLY	0	0.023	0.009	20.287	-0.001	-0.001	0.000	0.000	0.000	0.000
371	A	374	LEU	0	0.016	0.000	21.118	-0.006	-0.006	0.000	0.000	0.000	0.000
372	A	375	CYS	0	-0.046	0.001	23.791	0.001	0.001	0.000	0.000	0.000	0.000
373	A	376	ILE	0	-0.014	-0.010	17.992	0.000	0.000	0.000	0.000	0.000	0.000
374	A	377	ALA	0	0.020	0.013	22.203	-0.004	-0.004	0.000	0.000	0.000	0.000
375	A	378	PHE	0	0.060	0.016	23.885	-0.004	-0.004	0.000	0.000	0.000	0.000
376	A	379	ILE	0	-0.047	-0.013	24.006	0.002	0.002	0.000	0.000	0.000	0.000
377	A	380	VAL	0	-0.034	-0.016	21.244	0.000	0.000	0.000	0.000	0.000	0.000
378	A	381	MET	0	-0.017	-0.004	24.634	-0.006	-0.006	0.000	0.000	0.000	0.000
379	A	382	HIS	0	0.026	0.019	28.028	-0.001	-0.001	0.000	0.000	0.000	0.000
380	A	383	PHE	0	-0.060	-0.041	24.965	0.003	0.003	0.000	0.000	0.000	0.000
381	A	384	GLN	0	-0.060	-0.002	26.446	-0.009	-0.009	0.000	0.000	0.000	0.000
382	A	385	GLY	0	0.021	0.017	28.527	-0.003	-0.003	0.000	0.000	0.000	0.000
383	A	386	LEU	0	-0.074	-0.039	28.784	-0.002	-0.002	0.000	0.000	0.000	0.000
384	A	387	ASN	0	0.033	0.027	32.041	0.001	0.001	0.000	0.000	0.000	0.000
385	A	388	ALA	0	0.042	0.034	33.711	-0.005	-0.005	0.000	0.000	0.000	0.000
386	A	389	ASN	0	0.075	0.027	34.513	-0.002	-0.002	0.000	0.000	0.000	0.000
387	A	390	ILE	0	0.041	0.020	34.684	-0.003	-0.003	0.000	0.000	0.000	0.000
388	A	391	MET	0	0.008	0.012	33.682	-0.005	-0.005	0.000	0.000	0.000	0.000
389	A	392	SER	0	-0.045	-0.034	30.701	-0.005	-0.005	0.000	0.000	0.000	0.000
390	A	393	LEU	0	0.048	0.028	29.759	-0.003	-0.003	0.000	0.000	0.000	0.000
391	A	394	GLY	0	0.074	0.024	30.234	-0.002	-0.002	0.000	0.000	0.000	0.000
392	A	395	GLY	0	-0.037	-0.019	28.005	-0.007	-0.007	0.000	0.000	0.000	0.000
393	A	396	ILE	0	-0.028	-0.028	25.286	-0.008	-0.008	0.000	0.000	0.000	0.000
394	A	397	ALA	0	0.025	0.014	26.249	-0.004	-0.004	0.000	0.000	0.000	0.000
395	A	398	ILE	0	-0.064	-0.031	26.097	-0.006	-0.006	0.000	0.000	0.000	0.000
396	A	399	ALA	0	-0.020	-0.019	22.274	-0.012	-0.012	0.000	0.000	0.000	0.000
397	A	400	VAL	0	0.030	0.017	22.646	-0.009	-0.009	0.000	0.000	0.000	0.000
398	A	401	GLY	0	0.044	0.017	23.558	0.002	0.002	0.000	0.000	0.000	0.000
399	A	402	ALA	0	-0.020	-0.023	19.657	-0.010	-0.010	0.000	0.000	0.000	0.000
400	A	403	MET	0	-0.034	-0.004	18.399	-0.014	-0.014	0.000	0.000	0.000	0.000
401	A	404	VAL	0	0.023	0.024	18.797	0.012	0.012	0.000	0.000	0.000	0.000
402	A	405	ASP	-1	-0.798	-0.897	18.779	-0.200	-0.200	0.000	0.000	0.000	0.000
403	A	406	ALA	0	-0.009	-0.015	14.564	-0.019	-0.019	0.000	0.000	0.000	0.000
404	A	407	ALA	0	-0.024	-0.002	14.090	-0.011	-0.011	0.000	0.000	0.000	0.000
405	A	408	ILE	0	-0.012	-0.005	16.316	0.012	0.012	0.000	0.000	0.000	0.000
406	A	409	VAL	0	0.056	0.033	15.750	0.013	0.013	0.000	0.000	0.000	0.000
407	A	410	MET	0	-0.027	-0.009	9.860	0.020	0.020	0.000	0.000	0.000	0.000
408	A	411	ILE	0	0.018	-0.007	13.938	0.050	0.050	0.000	0.000	0.000	0.000
409	A	412	GLU	-1	-0.784	-0.881	16.811	-0.030	-0.030	0.000	0.000	0.000	0.000
410	A	413	ASN	0	-0.033	-0.006	13.760	0.071	0.071	0.000	0.000	0.000	0.000
411	A	414	ALA	0	0.044	0.005	14.396	0.037	0.037	0.000	0.000	0.000	0.000
412	A	415	HIS	0	-0.030	-0.012	15.882	0.038	0.038	0.000	0.000	0.000	0.000
413	A	416	LYS	1	0.851	0.923	18.975	0.003	0.003	0.000	0.000	0.000	0.000
414	A	417	ARG	1	0.830	0.889	14.010	-0.045	-0.045	0.000	0.000	0.000	0.000
415	A	418	LEU	0	0.022	-0.002	17.543	0.029	0.029	0.000	0.000	0.000	0.000
416	A	419	GLU	-1	-0.914	-0.951	20.081	0.053	0.053	0.000	0.000	0.000	0.000
417	A	420	GLU	-1	-0.869	-0.906	18.622	0.023	0.023	0.000	0.000	0.000	0.000
418	A	421	TRP	0	0.040	0.011	16.371	0.025	0.025	0.000	0.000	0.000	0.000
419	A	422	GLN	0	-0.005	-0.020	21.384	0.000	0.000	0.000	0.000	0.000	0.000
420	A	423	HIS	0	-0.049	-0.021	24.514	-0.017	-0.017	0.000	0.000	0.000	0.000
421	A	424	GLN	0	-0.077	-0.027	20.453	0.015	0.015	0.000	0.000	0.000	0.000
422	A	425	HIS	0	-0.081	-0.034	21.176	0.029	0.029	0.000	0.000	0.000	0.000
423	A	426	PRO	0	0.002	0.003	26.297	-0.012	-0.012	0.000	0.000	0.000	0.000
424	A	427	ASP	-1	-0.829	-0.913	27.910	0.109	0.109	0.000	0.000	0.000	0.000
425	A	428	ALA	0	-0.058	-0.023	29.029	0.004	0.004	0.000	0.000	0.000	0.000
426	A	429	THR	0	-0.040	-0.018	28.065	-0.001	-0.001	0.000	0.000	0.000	0.000
427	A	430	LEU	0	0.005	0.009	23.983	0.014	0.014	0.000	0.000	0.000	0.000
428	A	431	ASP	-1	-0.723	-0.859	22.529	0.335	0.335	0.000	0.000	0.000	0.000
429	A	432	ASN	0	-0.109	-0.078	21.268	0.033	0.033	0.000	0.000	0.000	0.000
430	A	433	LYS	1	0.934	0.973	15.036	-0.742	-0.742	0.000	0.000	0.000	0.000
431	A	434	THR	0	0.004	0.000	17.491	0.060	0.060	0.000	0.000	0.000	0.000
432	A	435	ARG	1	0.880	0.936	18.165	-0.247	-0.247	0.000	0.000	0.000	0.000
433	A	436	TRP	0	0.020	0.003	12.345	-0.047	-0.047	0.000	0.000	0.000	0.000
434	A	437	GLN	0	-0.099	-0.045	11.381	0.059	0.059	0.000	0.000	0.000	0.000
435	A	438	VAL	0	0.042	0.032	12.933	0.050	0.050	0.000	0.000	0.000	0.000
436	A	439	ILE	0	0.011	0.015	13.232	-0.048	-0.048	0.000	0.000	0.000	0.000
437	A	440	THR	0	-0.026	-0.035	8.284	-0.017	-0.017	0.000	0.000	0.000	0.000
438	A	441	ASP	-1	-0.855	-0.938	8.780	1.072	1.072	0.000	0.000	0.000	0.000
439	A	442	ALA	0	-0.008	0.012	10.471	-0.140	-0.140	0.000	0.000	0.000	0.000
440	A	443	SER	0	-0.027	-0.021	7.914	-0.194	-0.194	0.000	0.000	0.000	0.000
441	A	444	VAL	0	-0.110	-0.046	5.490	-0.219	-0.219	0.000	0.000	0.000	0.000
442	A	445	GLU	-1	-0.857	-0.906	6.449	-1.525	-1.525	0.000	0.000	0.000	0.000
443	A	446	VAL	0	0.037	0.017	8.700	-0.293	-0.293	0.000	0.000	0.000	0.000
444	A	447	GLY	0	0.017	0.024	6.774	0.013	0.013	0.000	0.000	0.000	0.000
445	A	448	PRO	0	-0.057	-0.040	3.900	-0.260	-0.014	0.000	-0.026	-0.220	0.000
446	A	449	ALA	0	0.026	0.017	6.471	0.272	0.272	0.000	0.000	0.000	0.000
447	A	450	LEU	0	0.070	0.030	10.012	0.096	0.096	0.000	0.000	0.000	0.000
448	A	451	PHE	0	-0.031	-0.005	7.395	0.095	0.095	0.000	0.000	0.000	0.000
449	A	452	ILE	0	-0.004	-0.016	7.882	0.108	0.108	0.000	0.000	0.000	0.000
450	A	453	SER	0	0.006	-0.028	10.501	0.030	0.030	0.000	0.000	0.000	0.000
451	A	454	LEU	0	-0.001	0.009	12.412	0.051	0.051	0.000	0.000	0.000	0.000
452	A	455	LEU	0	-0.020	-0.001	11.359	0.033	0.033	0.000	0.000	0.000	0.000
453	A	456	ILE	0	0.011	0.003	13.685	0.015	0.015	0.000	0.000	0.000	0.000
454	A	457	ILE	0	0.006	0.021	16.228	0.027	0.027	0.000	0.000	0.000	0.000
455	A	458	THR	0	-0.039	-0.009	16.237	0.026	0.026	0.000	0.000	0.000	0.000
456	A	459	LEU	0	0.034	-0.003	14.720	0.012	0.012	0.000	0.000	0.000	0.000
457	A	460	SER	0	-0.071	-0.055	18.717	0.013	0.013	0.000	0.000	0.000	0.000
458	A	461	PHE	0	0.031	-0.002	21.507	0.012	0.012	0.000	0.000	0.000	0.000
459	A	462	ILE	0	0.044	0.031	18.911	0.013	0.013	0.000	0.000	0.000	0.000
460	A	463	PRO	0	0.006	-0.004	22.614	0.013	0.013	0.000	0.000	0.000	0.000
461	A	464	ILE	0	0.045	0.028	25.696	0.009	0.009	0.000	0.000	0.000	0.000
462	A	465	PHE	0	-0.043	-0.024	23.437	0.008	0.008	0.000	0.000	0.000	0.000
463	A	466	THR	0	-0.078	-0.043	27.401	0.005	0.005	0.000	0.000	0.000	0.000
464	A	467	LEU	0	-0.024	-0.009	29.906	0.004	0.004	0.000	0.000	0.000	0.000
465	A	468	GLU	-1	-0.777	-0.883	33.105	-0.098	-0.098	0.000	0.000	0.000	0.000
466	A	469	GLY	0	0.026	0.020	35.822	0.001	0.001	0.000	0.000	0.000	0.000
467	A	470	GLN	0	0.020	0.005	38.111	0.000	0.000	0.000	0.000	0.000	0.000
468	A	471	GLU	-1	-0.780	-0.871	36.762	-0.079	-0.079	0.000	0.000	0.000	0.000
469	A	472	GLY	0	-0.011	-0.008	33.967	-0.003	-0.003	0.000	0.000	0.000	0.000
470	A	473	ARG	1	0.753	0.854	33.801	0.058	0.058	0.000	0.000	0.000	0.000
471	A	474	LEU	0	-0.015	0.009	35.493	0.002	0.002	0.000	0.000	0.000	0.000
472	A	475	PHE	0	0.036	-0.011	31.967	0.001	0.001	0.000	0.000	0.000	0.000
473	A	476	GLY	0	0.043	0.036	30.076	-0.005	-0.005	0.000	0.000	0.000	0.000
474	A	477	PRO	0	0.021	-0.011	29.127	-0.003	-0.003	0.000	0.000	0.000	0.000
475	A	478	LEU	0	0.017	0.025	28.604	0.000	0.000	0.000	0.000	0.000	0.000
476	A	479	ALA	0	0.002	-0.005	26.384	-0.005	-0.005	0.000	0.000	0.000	0.000
477	A	480	PHE	0	-0.003	0.011	24.753	-0.008	-0.008	0.000	0.000	0.000	0.000
478	A	481	THR	0	-0.008	-0.022	24.086	-0.005	-0.005	0.000	0.000	0.000	0.000
479	A	482	LYS	1	0.864	0.966	21.810	0.167	0.167	0.000	0.000	0.000	0.000
480	A	483	THR	0	-0.060	-0.052	19.747	-0.015	-0.015	0.000	0.000	0.000	0.000
481	A	484	TYR	0	-0.018	-0.036	19.375	-0.008	-0.008	0.000	0.000	0.000	0.000
482	A	485	ALA	0	0.044	0.032	19.710	0.007	0.007	0.000	0.000	0.000	0.000
483	A	486	MET	0	-0.027	0.000	17.738	-0.002	-0.002	0.000	0.000	0.000	0.000
484	A	487	ALA	0	-0.003	0.001	15.146	-0.011	-0.011	0.000	0.000	0.000	0.000
485	A	488	GLY	0	0.018	0.006	14.687	0.007	0.007	0.000	0.000	0.000	0.000
486	A	489	ALA	0	0.023	0.010	15.612	0.013	0.013	0.000	0.000	0.000	0.000
487	A	490	ALA	0	0.007	0.001	11.584	0.000	0.000	0.000	0.000	0.000	0.000
488	A	491	LEU	0	-0.025	-0.014	10.583	-0.013	-0.013	0.000	0.000	0.000	0.000
489	A	492	LEU	0	0.037	0.002	11.871	0.036	0.036	0.000	0.000	0.000	0.000
490	A	493	ALA	0	0.019	0.012	11.827	0.045	0.045	0.000	0.000	0.000	0.000
491	A	494	ILE	0	-0.047	-0.012	4.451	-0.138	-0.048	-0.001	-0.006	-0.083	0.000
492	A	495	VAL	0	-0.046	-0.011	8.747	0.082	0.082	0.000	0.000	0.000	0.000
493	A	496	VAL	0	0.014	0.003	11.511	0.071	0.071	0.000	0.000	0.000	0.000
494	A	497	ILE	0	0.024	0.021	13.704	0.035	0.035	0.000	0.000	0.000	0.000
495	A	498	PRO	0	0.051	0.000	9.763	0.027	0.027	0.000	0.000	0.000	0.000
496	A	499	ILE	0	-0.042	-0.008	12.483	0.060	0.060	0.000	0.000	0.000	0.000
497	A	500	LEU	0	0.003	0.004	14.658	0.004	0.004	0.000	0.000	0.000	0.000
498	A	501	MET	0	-0.015	0.010	13.577	-0.015	-0.015	0.000	0.000	0.000	0.000
499	A	502	GLY	0	0.010	0.028	16.129	0.007	0.007	0.000	0.000	0.000	0.000
500	A	503	TYR	0	-0.073	-0.035	16.908	0.007	0.007	0.000	0.000	0.000	0.000
501	A	504	TRP	0	-0.020	-0.013	19.995	-0.016	-0.016	0.000	0.000	0.000	0.000
502	A	517	LEU	0	0.108	0.036	32.530	0.001	0.001	0.000	0.000	0.000	0.000
503	A	518	ASN	0	0.030	0.023	28.060	0.000	0.000	0.000	0.000	0.000	0.000
504	A	519	ARG	1	0.977	0.991	30.827	0.022	0.022	0.000	0.000	0.000	0.000
505	A	520	PHE	0	0.025	-0.010	32.976	-0.003	-0.003	0.000	0.000	0.000	0.000
506	A	521	LEU	0	0.077	0.053	29.803	-0.002	-0.002	0.000	0.000	0.000	0.000
507	A	522	ILE	0	0.008	0.010	28.128	-0.007	-0.007	0.000	0.000	0.000	0.000
508	A	523	ARG	1	0.913	0.952	31.897	0.049	0.049	0.000	0.000	0.000	0.000
509	A	524	VAL	0	0.019	0.015	35.528	-0.001	-0.001	0.000	0.000	0.000	0.000
510	A	525	TYR	0	0.047	0.028	28.928	-0.007	-0.007	0.000	0.000	0.000	0.000
511	A	526	HIS	0	0.013	-0.013	28.777	-0.013	-0.013	0.000	0.000	0.000	0.000
512	A	527	PRO	0	-0.027	-0.016	32.868	-0.004	-0.004	0.000	0.000	0.000	0.000
513	A	528	LEU	0	0.025	0.017	34.617	0.000	0.000	0.000	0.000	0.000	0.000
514	A	529	LEU	0	-0.004	0.011	28.181	-0.005	-0.005	0.000	0.000	0.000	0.000
515	A	530	LEU	0	-0.007	-0.016	32.180	-0.005	-0.005	0.000	0.000	0.000	0.000
516	A	531	LYS	1	0.910	0.956	34.183	0.094	0.094	0.000	0.000	0.000	0.000
517	A	532	VAL	0	0.005	0.010	30.224	0.001	0.001	0.000	0.000	0.000	0.000
518	A	533	LEU	0	-0.022	-0.013	29.244	-0.008	-0.008	0.000	0.000	0.000	0.000
519	A	534	HIS	0	-0.029	-0.002	33.079	0.005	0.005	0.000	0.000	0.000	0.000
520	A	535	TRP	0	0.015	0.003	36.120	-0.001	-0.001	0.000	0.000	0.000	0.000
521	A	536	PRO	0	0.080	0.047	31.442	0.001	0.001	0.000	0.000	0.000	0.000
522	A	537	LYS	1	0.967	0.991	33.099	0.169	0.169	0.000	0.000	0.000	0.000
523	A	538	THR	0	0.039	0.017	34.426	0.002	0.002	0.000	0.000	0.000	0.000
524	A	539	THR	0	-0.044	-0.028	33.036	0.001	0.001	0.000	0.000	0.000	0.000
525	A	540	LEU	0	0.002	-0.005	29.468	-0.001	-0.001	0.000	0.000	0.000	0.000
526	A	541	LEU	0	-0.007	0.011	33.106	-0.001	-0.001	0.000	0.000	0.000	0.000
527	A	542	VAL	0	0.045	0.012	36.696	0.003	0.003	0.000	0.000	0.000	0.000
528	A	543	ALA	0	0.011	0.019	32.324	0.003	0.003	0.000	0.000	0.000	0.000
529	A	544	ALA	0	0.004	-0.003	34.432	0.000	0.000	0.000	0.000	0.000	0.000
530	A	545	LEU	0	0.000	-0.014	35.827	0.004	0.004	0.000	0.000	0.000	0.000
531	A	546	SER	0	-0.021	-0.020	35.453	0.006	0.006	0.000	0.000	0.000	0.000
532	A	547	VAL	0	-0.013	0.001	33.808	0.002	0.002	0.000	0.000	0.000	0.000
533	A	548	LEU	0	-0.011	-0.006	36.699	0.004	0.004	0.000	0.000	0.000	0.000
534	A	549	THR	0	0.013	0.007	39.289	0.007	0.007	0.000	0.000	0.000	0.000
535	A	550	VAL	0	-0.012	0.007	37.204	0.004	0.004	0.000	0.000	0.000	0.000
536	A	551	LEU	0	0.014	0.005	39.935	0.003	0.003	0.000	0.000	0.000	0.000
537	A	552	TRP	0	0.032	0.017	42.978	0.004	0.004	0.000	0.000	0.000	0.000
538	A	553	PRO	0	0.016	-0.002	41.878	0.005	0.005	0.000	0.000	0.000	0.000
539	A	554	LEU	0	0.021	0.018	39.977	0.002	0.002	0.000	0.000	0.000	0.000
540	A	555	ASN	0	-0.061	-0.030	43.574	0.001	0.001	0.000	0.000	0.000	0.000
541	A	556	LYS	1	0.801	0.911	46.459	0.076	0.076	0.000	0.000	0.000	0.000
542	A	557	VAL	0	-0.003	0.017	42.396	0.003	0.003	0.000	0.000	0.000	0.000
543	A	558	GLY	0	0.077	0.054	45.690	-0.001	-0.001	0.000	0.000	0.000	0.000
544	A	559	GLY	0	-0.040	-0.037	44.273	-0.004	-0.004	0.000	0.000	0.000	0.000
545	A	560	GLU	-1	-0.766	-0.874	43.300	-0.062	-0.062	0.000	0.000	0.000	0.000
546	A	561	PHE	0	0.020	0.003	40.673	-0.004	-0.004	0.000	0.000	0.000	0.000
547	A	562	LEU	0	0.001	-0.015	39.103	-0.004	-0.004	0.000	0.000	0.000	0.000
548	A	563	PRO	0	0.016	0.022	40.149	0.003	0.003	0.000	0.000	0.000	0.000
549	A	564	GLN	0	0.027	0.026	43.259	0.000	0.000	0.000	0.000	0.000	0.000
550	A	565	ILE	0	-0.033	-0.016	41.455	0.000	0.000	0.000	0.000	0.000	0.000
551	A	566	ASN	0	-0.019	-0.013	45.516	0.002	0.002	0.000	0.000	0.000	0.000
552	A	567	GLU	-1	-0.827	-0.936	47.616	-0.035	-0.035	0.000	0.000	0.000	0.000
553	A	568	GLY	0	-0.035	-0.019	49.089	0.000	0.000	0.000	0.000	0.000	0.000
554	A	569	ASP	-1	-0.815	-0.914	51.684	-0.023	-0.023	0.000	0.000	0.000	0.000
555	A	570	LEU	0	-0.055	-0.030	53.182	-0.002	-0.002	0.000	0.000	0.000	0.000
556	A	571	LEU	0	-0.003	0.006	55.233	0.002	0.002	0.000	0.000	0.000	0.000
557	A	572	TYR	0	0.015	0.007	57.709	-0.002	-0.002	0.000	0.000	0.000	0.000
558	A	573	MET	0	-0.021	-0.010	56.965	0.001	0.001	0.000	0.000	0.000	0.000
559	A	574	PRO	0	0.036	0.046	61.268	-0.001	-0.001	0.000	0.000	0.000	0.000
560	A	575	SER	0	-0.020	-0.020	63.397	0.000	0.000	0.000	0.000	0.000	0.000
561	A	576	THR	0	0.017	-0.011	65.943	0.000	0.000	0.000	0.000	0.000	0.000
562	A	577	LEU	0	0.005	0.009	68.993	-0.001	-0.001	0.000	0.000	0.000	0.000
563	A	578	PRO	0	0.041	0.029	69.443	0.001	0.001	0.000	0.000	0.000	0.000
564	A	579	GLY	0	-0.040	-0.030	71.710	0.001	0.001	0.000	0.000	0.000	0.000
565	A	580	ILE	0	-0.007	0.016	72.339	0.001	0.001	0.000	0.000	0.000	0.000
566	A	581	SER	0	0.012	0.003	75.014	0.000	0.000	0.000	0.000	0.000	0.000
567	A	582	ALA	0	0.087	0.028	74.069	0.000	0.000	0.000	0.000	0.000	0.000
568	A	583	ALA	0	-0.004	0.008	74.922	0.000	0.000	0.000	0.000	0.000	0.000
569	A	584	GLU	-1	-0.813	-0.907	76.530	-0.019	-0.019	0.000	0.000	0.000	0.000
570	A	585	ALA	0	0.040	0.023	71.536	0.000	0.000	0.000	0.000	0.000	0.000
571	A	586	ALA	0	0.045	0.023	72.197	0.000	0.000	0.000	0.000	0.000	0.000
572	A	587	SER	0	-0.022	-0.010	73.469	0.000	0.000	0.000	0.000	0.000	0.000
573	A	588	MET	0	-0.015	-0.015	71.062	0.000	0.000	0.000	0.000	0.000	0.000
574	A	589	LEU	0	-0.019	0.029	66.968	-0.001	-0.001	0.000	0.000	0.000	0.000
575	A	590	GLN	0	0.003	-0.007	70.164	0.000	0.000	0.000	0.000	0.000	0.000
576	A	591	LYS	1	0.741	0.859	72.408	0.019	0.019	0.000	0.000	0.000	0.000
577	A	592	THR	0	-0.014	-0.009	66.841	-0.001	-0.001	0.000	0.000	0.000	0.000
578	A	593	ASP	-1	-0.749	-0.883	66.506	-0.021	-0.021	0.000	0.000	0.000	0.000
579	A	594	LYS	1	0.879	0.947	68.384	0.016	0.016	0.000	0.000	0.000	0.000
580	A	595	LEU	0	-0.049	-0.002	69.595	0.000	0.000	0.000	0.000	0.000	0.000
581	A	596	ILE	0	0.006	0.011	63.388	0.000	0.000	0.000	0.000	0.000	0.000
582	A	597	MET	0	-0.038	-0.012	65.609	0.000	0.000	0.000	0.000	0.000	0.000
583	A	598	SER	0	-0.102	-0.050	67.277	0.001	0.001	0.000	0.000	0.000	0.000
584	A	599	VAL	0	0.019	0.017	62.917	0.000	0.000	0.000	0.000	0.000	0.000
585	A	600	PRO	0	0.001	-0.011	63.738	0.000	0.000	0.000	0.000	0.000	0.000
586	A	601	GLU	-1	-0.707	-0.839	58.545	-0.023	-0.023	0.000	0.000	0.000	0.000
587	A	602	VAL	0	0.009	0.037	59.614	0.000	0.000	0.000	0.000	0.000	0.000
588	A	603	ALA	0	-0.055	-0.024	59.574	0.001	0.001	0.000	0.000	0.000	0.000
589	A	604	ARG	1	0.907	0.952	61.344	0.016	0.016	0.000	0.000	0.000	0.000
590	A	605	VAL	0	0.013	0.014	61.986	-0.001	-0.001	0.000	0.000	0.000	0.000
591	A	606	PHE	0	0.003	0.000	61.369	0.001	0.001	0.000	0.000	0.000	0.000
592	A	607	GLY	0	0.080	0.047	63.258	-0.001	-0.001	0.000	0.000	0.000	0.000
593	A	608	LYS	1	0.826	0.890	60.584	0.026	0.026	0.000	0.000	0.000	0.000
594	A	609	THR	0	-0.004	-0.011	65.664	-0.001	-0.001	0.000	0.000	0.000	0.000
595	A	610	GLY	0	0.009	0.017	67.268	0.001	0.001	0.000	0.000	0.000	0.000
596	A	611	LYS	1	0.761	0.883	62.581	0.022	0.022	0.000	0.000	0.000	0.000
597	A	612	ALA	0	0.008	-0.005	61.397	0.001	0.001	0.000	0.000	0.000	0.000
598	A	613	GLU	-1	-0.913	-0.960	63.171	-0.018	-0.018	0.000	0.000	0.000	0.000
599	A	614	THR	0	-0.032	-0.039	57.896	0.000	0.000	0.000	0.000	0.000	0.000
600	A	615	ALA	0	-0.001	-0.008	58.150	0.000	0.000	0.000	0.000	0.000	0.000
601	A	616	THR	0	-0.069	-0.044	54.244	-0.001	-0.001	0.000	0.000	0.000	0.000
602	A	617	ASP	-1	-0.735	-0.857	56.663	-0.026	-0.026	0.000	0.000	0.000	0.000
603	A	618	SER	0	-0.025	-0.003	59.571	0.000	0.000	0.000	0.000	0.000	0.000
604	A	619	ALA	0	0.039	0.031	61.925	-0.001	-0.001	0.000	0.000	0.000	0.000
605	A	620	PRO	0	0.045	0.017	63.602	0.001	0.001	0.000	0.000	0.000	0.000
606	A	621	LEU	0	-0.014	-0.021	67.161	0.000	0.000	0.000	0.000	0.000	0.000
607	A	622	GLU	-1	-0.959	-0.978	68.483	-0.026	-0.026	0.000	0.000	0.000	0.000
608	A	623	MET	0	-0.052	-0.018	61.280	-0.001	-0.001	0.000	0.000	0.000	0.000
609	A	624	VAL	0	0.030	0.002	64.955	0.001	0.001	0.000	0.000	0.000	0.000
610	A	625	GLU	-1	-0.848	-0.919	57.746	-0.030	-0.030	0.000	0.000	0.000	0.000
611	A	626	THR	0	-0.031	-0.024	61.885	0.001	0.001	0.000	0.000	0.000	0.000
612	A	627	THR	0	0.005	0.002	57.491	-0.002	-0.002	0.000	0.000	0.000	0.000
613	A	628	ILE	0	-0.014	-0.010	58.819	0.001	0.001	0.000	0.000	0.000	0.000
614	A	629	GLN	0	0.007	0.002	56.091	0.000	0.000	0.000	0.000	0.000	0.000
615	A	630	LEU	0	-0.006	-0.001	54.519	0.001	0.001	0.000	0.000	0.000	0.000
616	A	631	LYS	1	0.801	0.884	56.718	0.019	0.019	0.000	0.000	0.000	0.000
617	A	632	PRO	0	0.027	0.013	53.662	-0.001	-0.001	0.000	0.000	0.000	0.000
618	A	633	GLN	0	0.034	0.024	48.921	0.000	0.000	0.000	0.000	0.000	0.000
619	A	634	GLU	-1	-0.929	-0.982	51.882	-0.021	-0.021	0.000	0.000	0.000	0.000
620	A	635	GLN	0	-0.059	-0.040	54.336	0.001	0.001	0.000	0.000	0.000	0.000
621	A	636	TRP	0	-0.052	-0.012	52.124	-0.001	-0.001	0.000	0.000	0.000	0.000
622	A	637	ARG	1	0.739	0.802	57.955	0.024	0.024	0.000	0.000	0.000	0.000
623	A	638	PRO	0	-0.013	-0.031	57.885	-0.001	-0.001	0.000	0.000	0.000	0.000
624	A	639	GLY	0	-0.009	0.020	57.195	-0.001	-0.001	0.000	0.000	0.000	0.000
625	A	640	MET	0	-0.067	-0.008	56.976	-0.001	-0.001	0.000	0.000	0.000	0.000
626	A	641	THR	0	-0.003	-0.037	52.488	0.000	0.000	0.000	0.000	0.000	0.000
627	A	642	MET	0	0.056	0.033	51.744	0.000	0.000	0.000	0.000	0.000	0.000
628	A	643	ASP	-1	-0.818	-0.884	51.814	-0.041	-0.041	0.000	0.000	0.000	0.000
629	A	644	LYS	1	0.853	0.909	54.846	0.032	0.032	0.000	0.000	0.000	0.000
630	A	645	ILE	0	0.011	0.017	55.718	0.001	0.001	0.000	0.000	0.000	0.000
631	A	646	ILE	0	0.021	0.006	54.346	0.001	0.001	0.000	0.000	0.000	0.000
632	A	647	GLU	-1	-0.834	-0.899	58.508	-0.034	-0.034	0.000	0.000	0.000	0.000
633	A	648	GLU	-1	-0.830	-0.877	60.811	-0.024	-0.024	0.000	0.000	0.000	0.000
634	A	649	LEU	0	-0.010	0.000	59.860	0.001	0.001	0.000	0.000	0.000	0.000
635	A	650	ASP	-1	-0.746	-0.856	61.716	-0.032	-0.032	0.000	0.000	0.000	0.000
636	A	651	ASN	0	-0.042	-0.017	63.734	0.000	0.000	0.000	0.000	0.000	0.000
637	A	652	THR	0	-0.039	-0.025	66.424	0.001	0.001	0.000	0.000	0.000	0.000
638	A	653	VAL	0	-0.045	-0.015	65.627	0.001	0.001	0.000	0.000	0.000	0.000
639	A	654	ARG	1	0.837	0.916	65.271	0.029	0.029	0.000	0.000	0.000	0.000
640	A	655	LEU	0	0.022	0.008	69.356	0.001	0.001	0.000	0.000	0.000	0.000
641	A	656	PRO	0	-0.009	-0.023	72.036	-0.001	-0.001	0.000	0.000	0.000	0.000
642	A	657	GLY	0	0.001	0.008	73.009	0.000	0.000	0.000	0.000	0.000	0.000
643	A	658	LEU	0	-0.037	-0.002	67.997	0.000	0.000	0.000	0.000	0.000	0.000
644	A	659	ALA	0	0.006	0.018	65.412	0.000	0.000	0.000	0.000	0.000	0.000
645	A	660	ASN	0	0.012	-0.008	63.548	-0.001	-0.001	0.000	0.000	0.000	0.000
646	A	661	LEU	0	-0.013	0.001	57.077	-0.001	-0.001	0.000	0.000	0.000	0.000
647	A	662	TRP	0	-0.017	-0.020	57.562	0.002	0.002	0.000	0.000	0.000	0.000
648	A	663	VAL	0	-0.029	-0.009	53.260	-0.002	-0.002	0.000	0.000	0.000	0.000
649	A	664	PRO	0	0.028	0.019	49.477	0.002	0.002	0.000	0.000	0.000	0.000
650	A	665	PRO	0	0.033	0.018	51.515	-0.001	-0.001	0.000	0.000	0.000	0.000
651	A	666	ILE	0	-0.030	-0.015	45.695	-0.001	-0.001	0.000	0.000	0.000	0.000
652	A	667	ARG	1	0.812	0.896	44.130	0.053	0.053	0.000	0.000	0.000	0.000
653	A	668	ASN	0	0.079	0.028	48.127	-0.002	-0.002	0.000	0.000	0.000	0.000
654	A	669	ARG	1	0.819	0.901	51.181	0.029	0.029	0.000	0.000	0.000	0.000
655	A	670	ILE	0	-0.013	0.000	44.372	0.000	0.000	0.000	0.000	0.000	0.000
656	A	671	ASP	-1	-0.801	-0.902	47.379	-0.054	-0.054	0.000	0.000	0.000	0.000
657	A	672	MET	0	-0.016	0.014	49.113	0.000	0.000	0.000	0.000	0.000	0.000
658	A	673	LEU	0	-0.050	0.001	47.191	0.000	0.000	0.000	0.000	0.000	0.000
659	A	674	SER	0	-0.040	-0.015	45.326	-0.001	-0.001	0.000	0.000	0.000	0.000
660	A	675	THR	0	-0.040	-0.027	47.519	-0.001	-0.001	0.000	0.000	0.000	0.000
661	A	676	GLY	0	0.019	0.019	50.178	0.000	0.000	0.000	0.000	0.000	0.000
662	A	677	ILE	0	-0.059	-0.034	52.941	0.002	0.002	0.000	0.000	0.000	0.000
663	A	678	LYS	1	0.833	0.914	53.435	0.032	0.032	0.000	0.000	0.000	0.000
664	A	679	SER	0	0.047	-0.003	54.588	0.002	0.002	0.000	0.000	0.000	0.000
665	A	680	PRO	0	-0.023	-0.014	50.375	-0.002	-0.002	0.000	0.000	0.000	0.000
666	A	681	ILE	0	0.002	-0.001	51.024	-0.003	-0.003	0.000	0.000	0.000	0.000
667	A	682	GLY	0	0.071	0.043	53.670	0.003	0.003	0.000	0.000	0.000	0.000
668	A	683	ILE	0	-0.058	-0.019	54.833	-0.002	-0.002	0.000	0.000	0.000	0.000
669	A	684	LYS	1	0.841	0.905	52.255	0.050	0.050	0.000	0.000	0.000	0.000
670	A	685	VAL	0	0.007	0.010	57.708	-0.002	-0.002	0.000	0.000	0.000	0.000
671	A	686	SER	0	0.023	0.009	58.362	0.001	0.001	0.000	0.000	0.000	0.000
672	A	687	GLY	0	0.009	-0.006	60.673	-0.001	-0.001	0.000	0.000	0.000	0.000
673	A	688	THR	0	-0.017	-0.014	63.093	0.000	0.000	0.000	0.000	0.000	0.000
674	A	689	VAL	0	0.002	0.006	65.616	0.001	0.001	0.000	0.000	0.000	0.000
675	A	690	LEU	0	0.006	0.012	67.585	-0.001	-0.001	0.000	0.000	0.000	0.000
676	A	691	ALA	0	0.087	0.047	68.910	-0.001	-0.001	0.000	0.000	0.000	0.000
677	A	692	ASP	-1	-0.858	-0.912	68.541	-0.035	-0.035	0.000	0.000	0.000	0.000
678	A	693	ILE	0	-0.033	-0.009	63.689	-0.001	-0.001	0.000	0.000	0.000	0.000
679	A	694	ASP	-1	-0.755	-0.881	66.336	-0.033	-0.033	0.000	0.000	0.000	0.000
680	A	695	ALA	0	0.012	0.005	68.402	0.000	0.000	0.000	0.000	0.000	0.000
681	A	696	MET	0	-0.073	-0.017	65.087	-0.001	-0.001	0.000	0.000	0.000	0.000
682	A	697	ALA	0	0.015	0.002	64.421	-0.001	-0.001	0.000	0.000	0.000	0.000
683	A	698	GLU	-1	-0.832	-0.898	65.388	-0.031	-0.031	0.000	0.000	0.000	0.000
684	A	699	GLN	0	0.011	-0.007	67.552	-0.001	-0.001	0.000	0.000	0.000	0.000
685	A	700	ILE	0	-0.023	-0.021	61.219	-0.001	-0.001	0.000	0.000	0.000	0.000
686	A	701	GLU	-1	-0.771	-0.855	64.126	-0.034	-0.034	0.000	0.000	0.000	0.000
687	A	702	GLU	-1	-0.956	-0.981	65.527	-0.034	-0.034	0.000	0.000	0.000	0.000
688	A	703	VAL	0	-0.005	-0.004	63.588	0.000	0.000	0.000	0.000	0.000	0.000
689	A	704	ALA	0	-0.012	0.004	61.791	-0.001	-0.001	0.000	0.000	0.000	0.000
690	A	705	ARG	1	0.813	0.896	62.689	0.033	0.033	0.000	0.000	0.000	0.000
691	A	706	THR	0	-0.077	-0.049	65.027	0.001	0.001	0.000	0.000	0.000	0.000
692	A	707	VAL	0	-0.015	-0.007	58.544	-0.001	-0.001	0.000	0.000	0.000	0.000
693	A	708	PRO	0	-0.016	-0.023	60.068	0.001	0.001	0.000	0.000	0.000	0.000
694	A	709	GLY	0	-0.039	-0.019	58.128	0.000	0.000	0.000	0.000	0.000	0.000
695	A	710	VAL	0	-0.060	-0.019	58.401	-0.001	-0.001	0.000	0.000	0.000	0.000
696	A	711	ALA	0	0.035	0.033	60.436	0.001	0.001	0.000	0.000	0.000	0.000
697	A	712	SER	0	-0.058	-0.041	61.751	0.002	0.002	0.000	0.000	0.000	0.000
698	A	713	ALA	0	0.024	0.002	61.678	-0.002	-0.002	0.000	0.000	0.000	0.000
699	A	714	LEU	0	-0.050	-0.016	63.327	0.001	0.001	0.000	0.000	0.000	0.000
700	A	715	ALA	0	0.002	0.010	63.479	-0.001	-0.001	0.000	0.000	0.000	0.000
701	A	716	GLU	-1	-0.752	-0.829	61.813	-0.034	-0.034	0.000	0.000	0.000	0.000
702	A	717	ARG	1	0.757	0.846	65.575	0.031	0.031	0.000	0.000	0.000	0.000
703	A	718	LEU	0	0.028	0.008	65.132	0.001	0.001	0.000	0.000	0.000	0.000
704	A	719	GLU	-1	-0.918	-0.986	68.233	-0.027	-0.027	0.000	0.000	0.000	0.000
705	A	720	GLY	0	0.035	0.031	71.740	0.000	0.000	0.000	0.000	0.000	0.000
706	A	721	GLY	0	0.027	0.022	73.561	0.001	0.001	0.000	0.000	0.000	0.000
707	A	722	ARG	1	0.836	0.908	74.868	0.022	0.022	0.000	0.000	0.000	0.000
708	A	723	TYR	0	-0.043	-0.027	74.297	0.001	0.001	0.000	0.000	0.000	0.000
709	A	724	ILE	0	0.016	-0.006	80.719	0.000	0.000	0.000	0.000	0.000	0.000
710	A	725	ASN	0	0.025	0.039	81.333	0.000	0.000	0.000	0.000	0.000	0.000
711	A	726	VAL	0	0.041	0.005	84.458	0.000	0.000	0.000	0.000	0.000	0.000
712	A	727	GLU	-1	-0.821	-0.902	86.439	-0.018	-0.018	0.000	0.000	0.000	0.000
713	A	728	ILE	0	-0.001	-0.010	86.886	0.000	0.000	0.000	0.000	0.000	0.000
714	A	729	ASN	0	-0.010	0.006	89.810	0.000	0.000	0.000	0.000	0.000	0.000
715	A	730	ARG	1	0.994	0.975	85.910	0.017	0.017	0.000	0.000	0.000	0.000
716	A	731	GLU	-1	-0.880	-0.923	93.006	-0.014	-0.014	0.000	0.000	0.000	0.000
717	A	732	LYS	1	0.818	0.910	95.080	0.015	0.015	0.000	0.000	0.000	0.000
718	A	733	ALA	0	0.016	0.008	93.633	0.000	0.000	0.000	0.000	0.000	0.000
719	A	734	ALA	0	0.033	0.011	95.672	0.000	0.000	0.000	0.000	0.000	0.000
720	A	735	ARG	1	0.878	0.954	97.379	0.012	0.012	0.000	0.000	0.000	0.000
721	A	736	TYR	0	-0.010	-0.011	98.685	0.000	0.000	0.000	0.000	0.000	0.000
722	A	737	GLY	0	-0.005	0.000	98.662	0.000	0.000	0.000	0.000	0.000	0.000
723	A	738	MET	0	-0.080	-0.017	93.550	0.000	0.000	0.000	0.000	0.000	0.000
724	A	739	THR	0	-0.023	-0.046	90.306	0.000	0.000	0.000	0.000	0.000	0.000
725	A	740	VAL	0	0.003	-0.027	86.610	0.000	0.000	0.000	0.000	0.000	0.000
726	A	741	ALA	0	0.050	0.028	86.434	0.000	0.000	0.000	0.000	0.000	0.000
727	A	742	ASP	-1	-0.801	-0.868	87.468	-0.012	-0.012	0.000	0.000	0.000	0.000
728	A	743	VAL	0	-0.008	-0.006	89.812	0.000	0.000	0.000	0.000	0.000	0.000
729	A	744	GLN	0	-0.005	-0.024	83.122	0.000	0.000	0.000	0.000	0.000	0.000
730	A	745	LEU	0	0.047	0.046	85.769	0.000	0.000	0.000	0.000	0.000	0.000
731	A	746	PHE	0	0.051	0.024	87.152	0.000	0.000	0.000	0.000	0.000	0.000
732	A	747	VAL	0	-0.020	-0.010	83.705	0.000	0.000	0.000	0.000	0.000	0.000
733	A	748	THR	0	0.014	-0.010	81.590	0.000	0.000	0.000	0.000	0.000	0.000
734	A	749	SER	0	-0.023	-0.013	83.125	0.000	0.000	0.000	0.000	0.000	0.000
735	A	750	ALA	0	-0.012	0.024	85.756	0.000	0.000	0.000	0.000	0.000	0.000
736	A	751	VAL	0	0.004	-0.009	85.342	0.000	0.000	0.000	0.000	0.000	0.000
737	A	752	GLY	0	0.009	0.004	82.869	0.000	0.000	0.000	0.000	0.000	0.000
738	A	753	GLY	0	-0.014	-0.022	81.765	0.000	0.000	0.000	0.000	0.000	0.000
739	A	754	ALA	0	-0.026	-0.015	79.489	0.000	0.000	0.000	0.000	0.000	0.000
740	A	755	MET	0	-0.022	0.000	74.981	0.000	0.000	0.000	0.000	0.000	0.000
741	A	756	VAL	0	-0.050	-0.036	79.489	0.000	0.000	0.000	0.000	0.000	0.000
742	A	757	GLY	0	0.030	0.011	79.780	0.000	0.000	0.000	0.000	0.000	0.000
743	A	758	GLU	-1	-0.813	-0.881	74.379	-0.012	-0.012	0.000	0.000	0.000	0.000
744	A	759	THR	0	-0.002	-0.010	78.825	0.000	0.000	0.000	0.000	0.000	0.000
745	A	760	VAL	0	-0.004	-0.006	76.671	0.000	0.000	0.000	0.000	0.000	0.000
746	A	761	GLU	-1	-0.755	-0.826	76.971	-0.007	-0.007	0.000	0.000	0.000	0.000
747	A	762	GLY	0	0.003	-0.001	75.964	0.000	0.000	0.000	0.000	0.000	0.000
748	A	763	ILE	0	-0.021	-0.017	69.213	0.000	0.000	0.000	0.000	0.000	0.000
749	A	764	ALA	0	0.002	0.013	71.870	-0.001	-0.001	0.000	0.000	0.000	0.000
750	A	765	ARG	1	0.821	0.879	71.434	0.011	0.011	0.000	0.000	0.000	0.000
751	A	766	TYR	0	0.016	-0.013	74.290	0.000	0.000	0.000	0.000	0.000	0.000
752	A	767	PRO	0	0.029	0.019	75.436	0.000	0.000	0.000	0.000	0.000	0.000
753	A	768	ILE	0	0.016	0.028	78.153	0.000	0.000	0.000	0.000	0.000	0.000
754	A	769	ASN	0	-0.070	-0.038	81.018	0.000	0.000	0.000	0.000	0.000	0.000
755	A	770	LEU	0	0.041	0.025	83.261	0.000	0.000	0.000	0.000	0.000	0.000
756	A	771	ARG	1	0.873	0.943	81.826	0.013	0.013	0.000	0.000	0.000	0.000
757	A	772	TYR	0	-0.007	-0.007	87.856	0.001	0.001	0.000	0.000	0.000	0.000
758	A	773	PRO	0	0.006	-0.009	89.721	0.000	0.000	0.000	0.000	0.000	0.000
759	A	774	GLN	0	0.013	-0.005	86.318	0.000	0.000	0.000	0.000	0.000	0.000
760	A	775	SER	0	0.057	0.031	90.231	0.000	0.000	0.000	0.000	0.000	0.000
761	A	776	TRP	0	-0.028	-0.014	92.815	0.000	0.000	0.000	0.000	0.000	0.000
762	A	777	ARG	1	0.792	0.889	86.385	0.013	0.013	0.000	0.000	0.000	0.000
763	A	778	ASP	-1	-0.801	-0.889	88.269	-0.014	-0.014	0.000	0.000	0.000	0.000
764	A	779	SER	0	-0.015	-0.006	88.625	0.000	0.000	0.000	0.000	0.000	0.000
765	A	780	PRO	0	0.034	0.005	87.749	0.000	0.000	0.000	0.000	0.000	0.000
766	A	781	GLN	0	0.004	-0.007	90.212	0.000	0.000	0.000	0.000	0.000	0.000
767	A	782	ALA	0	0.016	0.022	92.254	0.000	0.000	0.000	0.000	0.000	0.000
768	A	783	LEU	0	0.034	0.009	86.978	0.000	0.000	0.000	0.000	0.000	0.000
769	A	784	ARG	1	0.821	0.896	91.343	0.016	0.016	0.000	0.000	0.000	0.000
770	A	785	GLN	0	0.004	-0.002	94.344	0.000	0.000	0.000	0.000	0.000	0.000
771	A	786	LEU	0	-0.025	0.013	91.238	0.000	0.000	0.000	0.000	0.000	0.000
772	A	787	PRO	0	0.017	0.008	94.627	0.000	0.000	0.000	0.000	0.000	0.000
773	A	788	ILE	0	-0.015	0.002	93.408	0.000	0.000	0.000	0.000	0.000	0.000
774	A	789	LEU	0	-0.021	0.004	96.782	0.000	0.000	0.000	0.000	0.000	0.000
775	A	790	THR	0	-0.005	-0.029	97.388	0.000	0.000	0.000	0.000	0.000	0.000
776	A	791	PRO	0	0.057	0.020	95.938	0.000	0.000	0.000	0.000	0.000	0.000
777	A	792	MET	0	-0.065	-0.030	98.639	0.000	0.000	0.000	0.000	0.000	0.000
778	A	793	LYS	1	0.792	0.891	99.263	0.009	0.009	0.000	0.000	0.000	0.000
779	A	794	GLN	0	0.047	0.045	102.293	0.000	0.000	0.000	0.000	0.000	0.000
780	A	795	GLN	0	-0.002	-0.007	101.622	0.000	0.000	0.000	0.000	0.000	0.000
781	A	796	ILE	0	-0.018	0.001	98.026	0.000	0.000	0.000	0.000	0.000	0.000
782	A	797	THR	0	-0.037	-0.035	97.448	0.000	0.000	0.000	0.000	0.000	0.000
783	A	798	LEU	0	0.021	0.006	89.827	0.000	0.000	0.000	0.000	0.000	0.000
784	A	799	ALA	0	0.022	0.008	94.363	0.000	0.000	0.000	0.000	0.000	0.000
785	A	800	ASP	-1	-0.857	-0.898	96.099	-0.012	-0.012	0.000	0.000	0.000	0.000
786	A	801	VAL	0	-0.015	-0.020	93.409	0.000	0.000	0.000	0.000	0.000	0.000
787	A	802	ALA	0	-0.034	-0.021	90.621	0.000	0.000	0.000	0.000	0.000	0.000
788	A	803	ASP	-1	-0.866	-0.893	91.537	-0.015	-0.015	0.000	0.000	0.000	0.000
789	A	804	ILE	0	0.004	-0.006	88.947	0.000	0.000	0.000	0.000	0.000	0.000
790	A	805	LYS	1	0.769	0.882	87.598	0.018	0.018	0.000	0.000	0.000	0.000
791	A	806	VAL	0	-0.002	0.004	84.382	0.000	0.000	0.000	0.000	0.000	0.000
792	A	807	SER	0	-0.040	-0.037	81.694	0.000	0.000	0.000	0.000	0.000	0.000
793	A	808	THR	0	-0.011	-0.028	77.274	0.000	0.000	0.000	0.000	0.000	0.000
794	A	809	GLY	0	0.057	0.036	75.714	0.000	0.000	0.000	0.000	0.000	0.000
795	A	810	PRO	0	-0.022	-0.015	71.312	0.000	0.000	0.000	0.000	0.000	0.000
796	A	811	SER	0	0.015	0.024	69.964	0.001	0.001	0.000	0.000	0.000	0.000
797	A	812	MET	0	-0.027	-0.009	63.579	0.000	0.000	0.000	0.000	0.000	0.000
798	A	813	LEU	0	-0.038	-0.014	65.831	-0.001	-0.001	0.000	0.000	0.000	0.000
799	A	814	LYS	1	0.853	0.938	59.431	0.036	0.036	0.000	0.000	0.000	0.000
800	A	815	THR	0	-0.040	-0.040	59.415	-0.001	-0.001	0.000	0.000	0.000	0.000
801	A	816	GLU	-1	-0.807	-0.888	53.836	-0.046	-0.046	0.000	0.000	0.000	0.000
802	A	817	ASN	0	0.018	-0.003	51.191	0.000	0.000	0.000	0.000	0.000	0.000
803	A	818	ALA	0	0.009	0.010	55.231	0.000	0.000	0.000	0.000	0.000	0.000
804	A	819	ARG	1	0.881	0.942	57.700	0.045	0.045	0.000	0.000	0.000	0.000
805	A	820	PRO	0	0.027	0.015	60.168	0.000	0.000	0.000	0.000	0.000	0.000
806	A	821	THR	0	-0.045	-0.035	58.561	-0.001	-0.001	0.000	0.000	0.000	0.000
807	A	822	SER	0	0.005	0.010	61.461	0.001	0.001	0.000	0.000	0.000	0.000
808	A	823	TRP	0	-0.011	-0.016	56.102	-0.001	-0.001	0.000	0.000	0.000	0.000
809	A	824	ILE	0	-0.017	-0.011	59.535	0.002	0.002	0.000	0.000	0.000	0.000
810	A	825	TYR	0	-0.024	-0.031	57.974	-0.002	-0.002	0.000	0.000	0.000	0.000
811	A	826	ILE	0	-0.029	-0.029	57.624	0.001	0.001	0.000	0.000	0.000	0.000
812	A	827	ASP	-1	-0.799	-0.894	57.135	-0.040	-0.040	0.000	0.000	0.000	0.000
813	A	828	ALA	0	0.012	-0.014	55.696	0.001	0.001	0.000	0.000	0.000	0.000
814	A	829	ARG	1	0.726	0.839	54.110	0.035	0.035	0.000	0.000	0.000	0.000
815	A	830	ASP	-1	-0.869	-0.923	53.914	-0.042	-0.042	0.000	0.000	0.000	0.000
816	A	831	ARG	1	0.757	0.849	53.143	0.053	0.053	0.000	0.000	0.000	0.000
817	A	832	ASP	-1	-0.764	-0.851	48.168	-0.065	-0.065	0.000	0.000	0.000	0.000
818	A	833	MET	0	0.019	0.009	47.384	0.000	0.000	0.000	0.000	0.000	0.000
819	A	834	VAL	0	-0.035	-0.032	46.322	0.001	0.001	0.000	0.000	0.000	0.000
820	A	835	SER	0	-0.038	-0.051	49.000	0.000	0.000	0.000	0.000	0.000	0.000
821	A	836	VAL	0	0.021	0.030	51.929	0.001	0.001	0.000	0.000	0.000	0.000
822	A	837	VAL	0	0.012	0.010	50.330	0.001	0.001	0.000	0.000	0.000	0.000
823	A	838	HIS	1	0.845	0.908	47.920	0.070	0.070	0.000	0.000	0.000	0.000
824	A	839	ASP	-1	-0.759	-0.845	53.582	-0.054	-0.054	0.000	0.000	0.000	0.000
825	A	840	LEU	0	0.016	0.023	56.469	0.001	0.001	0.000	0.000	0.000	0.000
826	A	841	GLN	0	-0.008	0.019	51.322	-0.001	-0.001	0.000	0.000	0.000	0.000
827	A	842	LYS	1	0.789	0.909	56.142	0.056	0.056	0.000	0.000	0.000	0.000
828	A	843	ALA	0	0.057	0.018	59.073	0.001	0.001	0.000	0.000	0.000	0.000
829	A	844	ILE	0	0.038	0.010	58.974	0.001	0.001	0.000	0.000	0.000	0.000
830	A	845	ALA	0	-0.033	-0.019	58.959	0.001	0.001	0.000	0.000	0.000	0.000
831	A	846	GLU	-1	-0.866	-0.932	61.120	-0.048	-0.048	0.000	0.000	0.000	0.000
832	A	847	LYS	1	0.804	0.898	63.968	0.045	0.045	0.000	0.000	0.000	0.000
833	A	848	VAL	0	0.015	0.022	64.287	0.001	0.001	0.000	0.000	0.000	0.000
834	A	849	GLN	0	-0.028	-0.007	64.561	0.000	0.000	0.000	0.000	0.000	0.000
835	A	850	LEU	0	0.007	0.005	60.117	0.001	0.001	0.000	0.000	0.000	0.000
836	A	851	LYS	1	0.875	0.910	64.799	0.036	0.036	0.000	0.000	0.000	0.000
837	A	852	PRO	0	-0.004	-0.006	64.783	-0.001	-0.001	0.000	0.000	0.000	0.000
838	A	853	GLY	0	0.000	0.008	63.939	-0.001	-0.001	0.000	0.000	0.000	0.000
839	A	854	THR	0	-0.073	-0.034	63.246	0.000	0.000	0.000	0.000	0.000	0.000
840	A	855	SER	0	-0.027	0.004	57.671	-0.001	-0.001	0.000	0.000	0.000	0.000
841	A	856	VAL	0	0.038	-0.001	58.098	0.001	0.001	0.000	0.000	0.000	0.000
842	A	857	ALA	0	-0.010	0.008	53.040	-0.002	-0.002	0.000	0.000	0.000	0.000
843	A	858	PHE	0	0.016	-0.003	52.112	0.002	0.002	0.000	0.000	0.000	0.000
844	A	859	SER	0	-0.026	-0.043	50.793	-0.001	-0.001	0.000	0.000	0.000	0.000
845	A	860	GLY	0	0.065	0.044	50.757	0.001	0.001	0.000	0.000	0.000	0.000
846	A	861	GLN	0	0.019	-0.023	46.687	-0.005	-0.005	0.000	0.000	0.000	0.000
847	A	862	PHE	0	0.008	-0.004	46.042	-0.004	-0.004	0.000	0.000	0.000	0.000
848	A	863	GLU	-1	-0.848	-0.894	46.293	-0.061	-0.061	0.000	0.000	0.000	0.000
849	A	864	LEU	0	-0.004	0.008	42.774	-0.004	-0.004	0.000	0.000	0.000	0.000
850	A	865	LEU	0	-0.014	-0.009	41.765	-0.005	-0.005	0.000	0.000	0.000	0.000
851	A	866	GLU	-1	-0.903	-0.956	41.894	-0.081	-0.081	0.000	0.000	0.000	0.000
852	A	867	ARG	1	0.857	0.904	39.295	0.070	0.070	0.000	0.000	0.000	0.000
853	A	868	ALA	0	0.047	0.019	37.618	-0.006	-0.006	0.000	0.000	0.000	0.000
854	A	869	ASN	0	-0.073	-0.044	36.968	-0.011	-0.011	0.000	0.000	0.000	0.000
855	A	870	HIS	0	-0.034	-0.015	36.815	-0.004	-0.004	0.000	0.000	0.000	0.000
856	A	871	LYS	1	0.837	0.918	32.823	0.102	0.102	0.000	0.000	0.000	0.000
857	A	872	LEU	0	0.040	0.003	32.724	-0.010	-0.010	0.000	0.000	0.000	0.000
858	A	873	LYS	1	0.874	0.936	32.507	0.097	0.097	0.000	0.000	0.000	0.000
859	A	874	LEU	0	0.000	0.011	31.033	-0.008	-0.008	0.000	0.000	0.000	0.000
860	A	875	MET	0	-0.004	0.016	28.339	-0.009	-0.009	0.000	0.000	0.000	0.000
861	A	876	VAL	0	0.016	0.009	27.710	-0.014	-0.014	0.000	0.000	0.000	0.000
862	A	877	PRO	0	0.000	-0.010	27.157	-0.018	-0.018	0.000	0.000	0.000	0.000
863	A	878	MET	0	0.001	0.019	24.511	-0.020	-0.020	0.000	0.000	0.000	0.000
864	A	879	THR	0	0.019	0.009	22.940	-0.019	-0.019	0.000	0.000	0.000	0.000
865	A	880	LEU	0	-0.034	-0.024	22.602	-0.025	-0.025	0.000	0.000	0.000	0.000
866	A	881	MET	0	0.002	-0.004	21.681	-0.036	-0.036	0.000	0.000	0.000	0.000
867	A	882	ILE	0	-0.009	0.000	17.675	-0.043	-0.043	0.000	0.000	0.000	0.000
868	A	883	ILE	0	0.018	0.009	17.467	-0.041	-0.041	0.000	0.000	0.000	0.000
869	A	884	PHE	0	0.003	0.002	17.473	-0.058	-0.058	0.000	0.000	0.000	0.000
870	A	885	VAL	0	0.018	0.007	13.993	-0.064	-0.064	0.000	0.000	0.000	0.000
871	A	886	LEU	0	0.013	0.012	12.784	-0.094	-0.094	0.000	0.000	0.000	0.000
872	A	887	LEU	0	0.003	0.004	12.560	-0.110	-0.110	0.000	0.000	0.000	0.000
873	A	888	TYR	0	-0.038	-0.021	12.911	-0.080	-0.080	0.000	0.000	0.000	0.000
874	A	889	LEU	0	-0.032	-0.013	7.319	-0.144	-0.144	0.000	0.000	0.000	0.000
875	A	890	ALA	0	-0.027	-0.004	8.528	-0.321	-0.321	0.000	0.000	0.000	0.000
876	A	891	PHE	0	-0.010	-0.005	9.105	-0.298	-0.298	0.000	0.000	0.000	0.000
877	A	892	ARG	1	0.905	0.964	4.899	3.082	3.082	0.000	0.000	0.000	0.000
878	A	893	ARG	1	0.853	0.924	12.270	0.747	0.747	0.000	0.000	0.000	0.000
879	A	894	VAL	0	0.055	0.022	15.961	0.034	0.034	0.000	0.000	0.000	0.000
880	A	895	GLY	0	0.016	-0.001	18.629	0.022	0.022	0.000	0.000	0.000	0.000
881	A	896	GLU	-1	-0.712	-0.823	15.192	-0.671	-0.671	0.000	0.000	0.000	0.000
882	A	897	ALA	0	0.038	0.012	16.188	0.019	0.019	0.000	0.000	0.000	0.000
883	A	898	LEU	0	0.004	0.000	18.060	0.034	0.034	0.000	0.000	0.000	0.000
884	A	899	LEU	0	-0.031	-0.017	21.668	0.031	0.031	0.000	0.000	0.000	0.000
885	A	900	ILE	0	0.003	0.013	18.030	0.030	0.030	0.000	0.000	0.000	0.000
886	A	901	ILE	0	0.022	0.017	20.921	0.025	0.025	0.000	0.000	0.000	0.000
887	A	902	SER	0	-0.063	-0.036	22.497	0.031	0.031	0.000	0.000	0.000	0.000
888	A	903	SER	0	-0.026	-0.005	23.808	0.023	0.023	0.000	0.000	0.000	0.000
889	A	904	VAL	0	0.035	0.012	24.384	0.020	0.020	0.000	0.000	0.000	0.000
890	A	905	PRO	0	-0.005	-0.003	26.970	0.017	0.017	0.000	0.000	0.000	0.000
891	A	906	PHE	0	0.008	-0.006	28.169	0.014	0.014	0.000	0.000	0.000	0.000
892	A	907	ALA	0	0.005	0.030	27.796	0.010	0.010	0.000	0.000	0.000	0.000
893	A	908	LEU	0	0.004	0.006	29.936	0.012	0.012	0.000	0.000	0.000	0.000
894	A	909	VAL	0	0.000	-0.003	32.457	0.010	0.010	0.000	0.000	0.000	0.000
895	A	910	GLY	0	0.048	0.013	33.867	0.009	0.009	0.000	0.000	0.000	0.000
896	A	911	GLY	0	0.012	0.018	33.823	0.008	0.008	0.000	0.000	0.000	0.000
897	A	912	ILE	0	-0.025	-0.017	34.766	0.007	0.007	0.000	0.000	0.000	0.000
898	A	913	TRP	0	-0.036	-0.030	38.006	0.009	0.009	0.000	0.000	0.000	0.000
899	A	914	LEU	0	-0.026	-0.001	35.709	0.006	0.006	0.000	0.000	0.000	0.000
900	A	915	LEU	0	-0.011	-0.003	37.228	0.005	0.005	0.000	0.000	0.000	0.000
901	A	916	TRP	0	0.025	0.007	39.965	0.004	0.004	0.000	0.000	0.000	0.000
902	A	917	TRP	0	-0.060	-0.024	41.770	0.004	0.004	0.000	0.000	0.000	0.000
903	A	918	MET	0	-0.028	-0.011	39.718	0.005	0.005	0.000	0.000	0.000	0.000
904	A	919	GLY	0	-0.004	0.015	43.048	0.003	0.003	0.000	0.000	0.000	0.000
905	A	920	PHE	0	-0.050	-0.037	38.976	0.001	0.001	0.000	0.000	0.000	0.000
906	A	921	HIS	0	-0.035	-0.021	43.160	-0.002	-0.002	0.000	0.000	0.000	0.000
907	A	922	LEU	0	-0.024	-0.024	38.615	-0.003	-0.003	0.000	0.000	0.000	0.000
908	A	923	SER	0	0.048	0.029	39.246	0.003	0.003	0.000	0.000	0.000	0.000
909	A	924	VAL	0	0.033	0.020	35.579	-0.006	-0.006	0.000	0.000	0.000	0.000
910	A	925	ALA	0	0.037	0.036	35.040	-0.006	-0.006	0.000	0.000	0.000	0.000
911	A	926	THR	0	-0.024	-0.011	34.190	-0.006	-0.006	0.000	0.000	0.000	0.000
912	A	927	GLY	0	-0.014	-0.007	33.810	-0.007	-0.007	0.000	0.000	0.000	0.000
913	A	928	THR	0	0.022	-0.005	29.867	-0.011	-0.011	0.000	0.000	0.000	0.000
914	A	929	GLY	0	0.051	0.027	29.445	-0.008	-0.008	0.000	0.000	0.000	0.000
915	A	930	PHE	0	-0.020	-0.027	29.476	-0.009	-0.009	0.000	0.000	0.000	0.000
916	A	931	ILE	0	-0.020	-0.001	26.421	-0.014	-0.014	0.000	0.000	0.000	0.000
917	A	932	ALA	0	-0.010	-0.004	25.117	-0.016	-0.016	0.000	0.000	0.000	0.000
918	A	933	LEU	0	-0.043	-0.003	24.590	-0.016	-0.016	0.000	0.000	0.000	0.000
919	A	934	ALA	0	-0.002	-0.008	25.452	-0.014	-0.014	0.000	0.000	0.000	0.000
920	A	935	GLY	0	0.032	0.020	21.643	-0.023	-0.023	0.000	0.000	0.000	0.000
921	A	936	VAL	0	0.011	-0.006	20.709	-0.026	-0.026	0.000	0.000	0.000	0.000
922	A	937	ALA	0	-0.019	-0.006	22.122	-0.009	-0.009	0.000	0.000	0.000	0.000
923	A	938	ALA	0	-0.008	-0.010	20.068	-0.018	-0.018	0.000	0.000	0.000	0.000
924	A	939	GLU	-1	-0.837	-0.896	16.734	-0.388	-0.388	0.000	0.000	0.000	0.000
925	A	940	PHE	0	0.064	0.033	18.060	-0.033	-0.033	0.000	0.000	0.000	0.000
926	A	941	GLY	0	0.001	-0.013	19.924	-0.009	-0.009	0.000	0.000	0.000	0.000
927	A	942	VAL	0	-0.023	-0.012	13.407	-0.044	-0.044	0.000	0.000	0.000	0.000
928	A	943	VAL	0	0.036	0.003	14.696	-0.056	-0.056	0.000	0.000	0.000	0.000
929	A	944	MET	0	-0.022	0.024	16.515	0.039	0.039	0.000	0.000	0.000	0.000
930	A	945	LEU	0	-0.049	-0.017	15.674	0.011	0.011	0.000	0.000	0.000	0.000
931	A	946	MET	0	-0.028	0.002	12.954	-0.047	-0.047	0.000	0.000	0.000	0.000
932	A	947	TYR	0	0.038	0.021	14.853	-0.006	-0.006	0.000	0.000	0.000	0.000
933	A	948	LEU	0	0.012	0.000	17.338	0.025	0.025	0.000	0.000	0.000	0.000
934	A	949	ARG	1	0.741	0.840	12.258	0.969	0.969	0.000	0.000	0.000	0.000
935	A	950	HIS	1	0.828	0.889	10.269	0.964	0.964	0.000	0.000	0.000	0.000
936	A	951	ALA	0	0.009	0.009	15.636	0.045	0.045	0.000	0.000	0.000	0.000
937	A	952	ILE	0	-0.063	-0.032	18.563	0.045	0.045	0.000	0.000	0.000	0.000
938	A	953	GLU	-1	-0.847	-0.925	12.813	-0.965	-0.965	0.000	0.000	0.000	0.000
939	A	954	ALA	0	0.027	0.041	15.776	0.014	0.014	0.000	0.000	0.000	0.000
940	A	955	VAL	0	0.045	0.024	17.729	-0.004	-0.004	0.000	0.000	0.000	0.000
941	A	956	PRO	0	0.048	0.022	20.933	0.004	0.004	0.000	0.000	0.000	0.000
942	A	957	SER	0	-0.071	-0.036	18.706	-0.006	-0.006	0.000	0.000	0.000	0.000
943	A	958	LEU	0	0.048	0.023	19.951	-0.007	-0.007	0.000	0.000	0.000	0.000
944	A	959	ASN	0	-0.012	-0.003	22.794	0.004	0.004	0.000	0.000	0.000	0.000
945	A	960	ASN	0	-0.018	-0.020	23.876	0.008	0.008	0.000	0.000	0.000	0.000
946	A	961	PRO	0	0.012	0.006	21.163	0.005	0.005	0.000	0.000	0.000	0.000
947	A	962	GLN	0	-0.084	-0.029	24.344	0.017	0.017	0.000	0.000	0.000	0.000
948	A	963	THR	0	-0.051	-0.027	26.990	0.018	0.018	0.000	0.000	0.000	0.000
949	A	964	PHE	0	0.028	0.009	29.097	-0.006	-0.006	0.000	0.000	0.000	0.000
950	A	965	SER	0	0.023	0.004	29.323	0.013	0.013	0.000	0.000	0.000	0.000
951	A	966	GLU	-1	-0.800	-0.890	29.643	-0.145	-0.145	0.000	0.000	0.000	0.000
952	A	967	GLN	0	-0.010	-0.008	30.127	-0.002	-0.002	0.000	0.000	0.000	0.000
953	A	968	LYS	1	0.798	0.889	27.378	0.109	0.109	0.000	0.000	0.000	0.000
954	A	969	LEU	0	0.027	0.028	25.105	-0.008	-0.008	0.000	0.000	0.000	0.000
955	A	970	ASP	-1	-0.797	-0.889	25.828	-0.175	-0.175	0.000	0.000	0.000	0.000
956	A	971	GLU	-1	-0.860	-0.917	28.016	-0.096	-0.096	0.000	0.000	0.000	0.000
957	A	972	ALA	0	0.009	0.009	22.659	0.004	0.004	0.000	0.000	0.000	0.000
958	A	973	LEU	0	-0.013	-0.019	23.163	-0.013	-0.013	0.000	0.000	0.000	0.000
959	A	974	TYR	0	-0.022	-0.006	24.862	0.000	0.000	0.000	0.000	0.000	0.000
960	A	975	HIS	0	0.025	0.002	20.046	0.004	0.004	0.000	0.000	0.000	0.000
961	A	976	GLY	0	0.015	0.004	21.084	0.002	0.002	0.000	0.000	0.000	0.000
962	A	977	ALA	0	-0.030	-0.024	21.945	-0.006	-0.006	0.000	0.000	0.000	0.000
963	A	978	VAL	0	0.012	-0.007	24.833	0.009	0.009	0.000	0.000	0.000	0.000
964	A	979	LEU	0	-0.051	-0.017	18.275	0.008	0.008	0.000	0.000	0.000	0.000
965	A	980	ARG	1	0.825	0.914	20.776	0.208	0.208	0.000	0.000	0.000	0.000
966	A	981	VAL	0	-0.046	-0.016	21.715	0.006	0.006	0.000	0.000	0.000	0.000
967	A	982	ARG	1	0.740	0.849	23.120	0.049	0.049	0.000	0.000	0.000	0.000
968	A	983	PRO	0	0.028	0.007	19.437	0.010	0.010	0.000	0.000	0.000	0.000
969	A	984	LYN	0	0.039	0.017	19.977	0.011	0.011	0.000	0.000	0.000	0.000
970	A	985	ALA	0	-0.039	-0.014	23.112	0.006	0.006	0.000	0.000	0.000	0.000
971	A	986	MET	0	-0.021	0.004	22.653	0.010	0.010	0.000	0.000	0.000	0.000
972	A	987	THR	0	-0.011	-0.021	20.294	0.006	0.006	0.000	0.000	0.000	0.000
973	A	988	VAL	0	-0.011	-0.019	22.936	0.004	0.004	0.000	0.000	0.000	0.000
974	A	989	ALA	0	-0.022	0.001	26.104	0.007	0.007	0.000	0.000	0.000	0.000
975	A	990	VAL	0	-0.027	-0.021	22.711	0.009	0.009	0.000	0.000	0.000	0.000
976	A	991	ILE	0	-0.014	-0.001	21.902	0.005	0.005	0.000	0.000	0.000	0.000
977	A	992	ILE	0	-0.013	-0.005	25.858	0.005	0.005	0.000	0.000	0.000	0.000
978	A	993	ALA	0	-0.007	-0.013	29.587	0.006	0.006	0.000	0.000	0.000	0.000
979	A	994	GLY	0	0.009	-0.006	27.880	0.008	0.008	0.000	0.000	0.000	0.000
980	A	995	LEU	0	-0.019	-0.003	28.073	0.000	0.000	0.000	0.000	0.000	0.000
981	A	996	LEU	0	-0.022	-0.016	30.484	0.002	0.002	0.000	0.000	0.000	0.000
982	A	997	PRO	0	-0.007	0.003	32.567	0.002	0.002	0.000	0.000	0.000	0.000
983	A	998	ILE	0	0.026	0.014	31.468	0.003	0.003	0.000	0.000	0.000	0.000
984	A	999	LEU	0	-0.046	-0.023	35.348	-0.002	-0.002	0.000	0.000	0.000	0.000
985	A	1000	TRP	0	-0.030	-0.020	37.106	0.000	0.000	0.000	0.000	0.000	0.000
986	A	1001	GLY	0	0.049	0.028	40.025	0.002	0.002	0.000	0.000	0.000	0.000
987	A	1002	THR	0	-0.096	-0.053	42.034	0.002	0.002	0.000	0.000	0.000	0.000
988	A	1003	GLY	0	0.094	0.046	42.772	0.002	0.002	0.000	0.000	0.000	0.000
989	A	1004	ALA	0	0.032	0.043	43.148	-0.003	-0.003	0.000	0.000	0.000	0.000
990	A	1005	GLY	0	0.059	0.024	40.258	0.000	0.000	0.000	0.000	0.000	0.000
991	A	1006	SER	0	-0.053	-0.043	39.011	-0.005	-0.005	0.000	0.000	0.000	0.000
992	A	1007	GLU	-1	-0.741	-0.866	39.743	-0.052	-0.052	0.000	0.000	0.000	0.000
993	A	1008	VAL	0	-0.017	-0.015	37.092	-0.004	-0.004	0.000	0.000	0.000	0.000
994	A	1009	MET	0	-0.002	0.012	31.854	-0.006	-0.006	0.000	0.000	0.000	0.000
995	A	1010	SER	0	0.019	0.011	35.128	-0.006	-0.006	0.000	0.000	0.000	0.000
996	A	1011	ARG	1	0.846	0.901	36.795	0.061	0.061	0.000	0.000	0.000	0.000
997	A	1012	ILE	0	-0.012	-0.004	31.274	-0.007	-0.007	0.000	0.000	0.000	0.000
998	A	1013	ALA	0	0.010	0.007	32.146	-0.009	-0.009	0.000	0.000	0.000	0.000
999	A	1014	ALA	0	0.032	0.014	32.693	-0.006	-0.006	0.000	0.000	0.000	0.000
1000	A	1015	PRO	0	-0.018	-0.009	32.166	-0.004	-0.004	0.000	0.000	0.000	0.000
1001	A	1016	MET	0	-0.012	0.000	27.808	-0.011	-0.011	0.000	0.000	0.000	0.000
1002	A	1017	ILE	0	0.002	0.014	29.979	-0.007	-0.007	0.000	0.000	0.000	0.000
1003	A	1018	GLY	0	0.037	0.010	32.010	-0.001	-0.001	0.000	0.000	0.000	0.000
1004	A	1019	GLY	0	0.011	0.001	30.732	-0.003	-0.003	0.000	0.000	0.000	0.000
1005	A	1020	MET	0	-0.047	-0.025	24.738	-0.015	-0.015	0.000	0.000	0.000	0.000
1006	A	1021	ILE	0	0.025	0.015	29.029	0.001	0.001	0.000	0.000	0.000	0.000
1007	A	1022	THR	0	-0.035	-0.045	31.770	-0.001	-0.001	0.000	0.000	0.000	0.000
1008	A	1023	ALA	0	0.015	0.016	26.772	-0.006	-0.006	0.000	0.000	0.000	0.000
1009	A	1024	PRO	0	0.018	0.018	26.195	-0.015	-0.015	0.000	0.000	0.000	0.000
1010	A	1025	LEU	0	-0.012	0.007	27.213	-0.006	-0.006	0.000	0.000	0.000	0.000
1011	A	1026	LEU	0	0.040	0.012	30.408	-0.001	-0.001	0.000	0.000	0.000	0.000
1012	A	1027	SER	0	0.003	-0.002	24.554	-0.012	-0.012	0.000	0.000	0.000	0.000
1013	A	1028	LEU	0	-0.002	-0.004	24.856	-0.017	-0.017	0.000	0.000	0.000	0.000
1014	A	1029	PHE	0	-0.020	-0.010	26.771	0.000	0.000	0.000	0.000	0.000	0.000
1015	A	1030	ILE	0	0.022	-0.004	27.752	-0.005	-0.005	0.000	0.000	0.000	0.000
1016	A	1031	ILE	0	0.031	0.028	21.458	-0.008	-0.008	0.000	0.000	0.000	0.000
1017	A	1032	PRO	0	-0.009	-0.013	24.598	-0.014	-0.014	0.000	0.000	0.000	0.000
1018	A	1033	ALA	0	-0.007	0.009	25.656	-0.002	-0.002	0.000	0.000	0.000	0.000
1019	A	1034	ALA	0	0.003	-0.001	25.528	0.005	0.005	0.000	0.000	0.000	0.000
1020	A	1035	TYR	0	-0.058	-0.044	17.502	-0.001	-0.001	0.000	0.000	0.000	0.000
1021	A	1036	LYS	1	0.826	0.883	23.889	0.154	0.154	0.000	0.000	0.000	0.000
1022	A	1037	LEU	0	-0.011	-0.003	26.454	0.005	0.005	0.000	0.000	0.000	0.000
1023	A	1038	MET	0	0.006	0.005	23.187	-0.005	-0.005	0.000	0.000	0.000	0.000
1024	A	1039	TRP	0	0.035	0.021	18.326	-0.003	-0.003	0.000	0.000	0.000	0.000
1025	A	1040	LEU	0	0.027	0.023	24.222	0.006	0.006	0.000	0.000	0.000	0.000
1026	A	1041	HIS	0	-0.022	0.014	26.744	0.011	0.011	0.000	0.000	0.000	0.000
1027	A	1042	ARG	1	0.798	0.877	22.307	0.360	0.360	0.000	0.000	0.000	0.000
1028	A	1043	HIS	0	-0.046	-0.025	23.414	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)