FMO DATABASE

FMODB ID: GY5Q1

Calculation Name: 1LNS-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 1LNS

Chain ID: A

ChEMBL ID:

UniProt ID: P22346

Base Structure: X-ray

Registration Date: 2023-09-27

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	OptHSide
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	763
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-20705575.10813
FMO2-HF: Nuclear repulsion	20400892.721282
FMO2-HF: Total energy	-304682.386848
FMO2-MP2: Total energy	-305583.798705

3D Structure

Snapshot

Ligand structure

Ligand Interaction

Ligand binding energy

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

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

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

IFIE [kcal/mol]	PIEDA [kcal/mol]				Charge transfer value [e]
IFIE SUMIFIE SUM at MP2 level.	ESElectro static interaction energy.	EXExchange-repulsion energy.	CT+mixCharge transfer and mixing terms energy.	DI(MP2)Dispersion energy.	q(I=>J)Charge transfer value from I to J fragments.
-17.658	-6.028	4.279	-5.183	-10.724	-0.011

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

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.007 / q_NPA : 0.007

Distance from base fragment(s) [Å]

Dist

Interaction energy by IFIE and PIEDA
[kcal/mol]

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

Fragment charge [e]

FCHARGE q_Mulliken
q_NPA q(I=>J)

Residue

Res # RES

Sort

Graph Options

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

frag_NumFragment number.	ChainChain species.	Res #Residue number.	RES3-letter code of amino acid residue, ligand and solvent molecule.	FCHARGEFormal charge [e].	q_MullikenFragment charge evaluated by Mulliken charge [e].	q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e].	DISTDistance from Ligand [Å].	TotalIFIE at MP2 level [kcal/mol].	ESElectro static interaction energy by PIEDA [kcal/mol].	EXExchange-repulsion energy by PIEDA [kcal/mol].	CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol].	DI(MP2)Dispersion energy by PIEDA [kcal/mol].	q(I=>J)Charge transfer value from I to J fragmens [e].
3	A	3	PHE	0	0.025	0.014	2.867	-2.134	1.902	0.259	-1.890	-2.405	0.003
4	A	4	ASN	0	-0.057	-0.062	6.028	-0.152	-0.152	0.000	0.000	0.000	0.000
5	A	5	HIS	0	0.062	0.037	9.158	0.356	0.356	0.000	0.000	0.000	0.000
6	A	6	PHE	0	-0.042	-0.041	12.585	-0.046	-0.046	0.000	0.000	0.000	0.000
7	A	7	SER	0	-0.065	-0.049	15.242	0.047	0.047	0.000	0.000	0.000	0.000
8	A	8	ILE	0	-0.012	-0.002	14.199	0.037	0.037	0.000	0.000	0.000	0.000
9	A	9	VAL	0	-0.019	0.003	18.207	-0.021	-0.021	0.000	0.000	0.000	0.000
10	A	10	ASP	-1	-0.860	-0.909	21.980	-0.308	-0.308	0.000	0.000	0.000	0.000
11	A	11	LYS	1	0.801	0.908	23.657	0.134	0.134	0.000	0.000	0.000	0.000
12	A	12	ASN	0	-0.042	-0.026	26.317	-0.023	-0.023	0.000	0.000	0.000	0.000
13	A	13	PHE	0	0.081	0.031	27.750	0.008	0.008	0.000	0.000	0.000	0.000
14	A	14	ASP	-1	-0.901	-0.960	29.314	-0.111	-0.111	0.000	0.000	0.000	0.000
15	A	15	GLU	-1	-0.831	-0.900	28.968	-0.118	-0.118	0.000	0.000	0.000	0.000
16	A	16	GLN	0	0.001	0.008	24.769	0.009	0.009	0.000	0.000	0.000	0.000
17	A	17	LEU	0	0.011	-0.002	27.252	0.012	0.012	0.000	0.000	0.000	0.000
18	A	18	ALA	0	-0.010	0.010	29.618	0.013	0.013	0.000	0.000	0.000	0.000
19	A	19	GLU	-1	-0.787	-0.878	25.656	-0.079	-0.079	0.000	0.000	0.000	0.000
20	A	20	LEU	0	-0.013	-0.010	23.483	0.014	0.014	0.000	0.000	0.000	0.000
21	A	21	ASP	-1	-0.907	-0.954	27.153	-0.024	-0.024	0.000	0.000	0.000	0.000
22	A	22	GLN	0	-0.054	-0.027	29.409	0.008	0.008	0.000	0.000	0.000	0.000
23	A	23	LEU	0	-0.061	-0.019	23.635	0.014	0.014	0.000	0.000	0.000	0.000
24	A	24	GLY	0	-0.025	-0.005	27.514	0.012	0.012	0.000	0.000	0.000	0.000
25	A	25	PHE	0	-0.053	-0.034	22.893	-0.002	-0.002	0.000	0.000	0.000	0.000
26	A	26	ARG	1	0.936	0.982	28.386	0.004	0.004	0.000	0.000	0.000	0.000
27	A	27	TRP	0	-0.024	-0.023	23.545	-0.005	-0.005	0.000	0.000	0.000	0.000
28	A	28	SER	0	-0.017	-0.018	31.307	0.000	0.000	0.000	0.000	0.000	0.000
29	A	29	VAL	0	0.088	0.025	31.809	-0.004	-0.004	0.000	0.000	0.000	0.000
30	A	30	PHE	0	-0.040	-0.009	33.041	-0.005	-0.005	0.000	0.000	0.000	0.000
31	A	31	TRP	0	-0.051	-0.017	30.111	0.008	0.008	0.000	0.000	0.000	0.000
32	A	32	ASP	-1	-0.777	-0.893	30.095	-0.129	-0.129	0.000	0.000	0.000	0.000
33	A	33	GLU	-1	-0.716	-0.871	25.947	-0.175	-0.175	0.000	0.000	0.000	0.000
34	A	34	LYS	1	0.802	0.914	25.846	0.124	0.124	0.000	0.000	0.000	0.000
35	A	35	LYS	1	0.792	0.902	26.772	0.068	0.068	0.000	0.000	0.000	0.000
36	A	36	ILE	0	0.013	0.003	24.883	0.014	0.014	0.000	0.000	0.000	0.000
37	A	37	LEU	0	0.007	0.014	20.233	0.010	0.010	0.000	0.000	0.000	0.000
38	A	38	LYS	1	0.922	0.954	23.342	0.053	0.053	0.000	0.000	0.000	0.000
39	A	39	ASP	-1	-0.868	-0.932	25.510	-0.022	-0.022	0.000	0.000	0.000	0.000
40	A	40	PHE	0	0.033	0.017	18.248	0.016	0.016	0.000	0.000	0.000	0.000
41	A	41	LEU	0	0.006	-0.001	18.649	0.017	0.017	0.000	0.000	0.000	0.000
42	A	42	ILE	0	-0.061	-0.029	22.200	0.022	0.022	0.000	0.000	0.000	0.000
43	A	43	GLN	0	-0.068	-0.030	25.486	0.021	0.021	0.000	0.000	0.000	0.000
44	A	44	SER	0	-0.042	0.013	20.738	0.015	0.015	0.000	0.000	0.000	0.000
45	A	45	PRO	0	-0.002	-0.014	20.367	-0.005	-0.005	0.000	0.000	0.000	0.000
46	A	46	SER	0	-0.067	-0.024	17.503	0.021	0.021	0.000	0.000	0.000	0.000
47	A	47	ASP	-1	-0.803	-0.888	18.447	0.110	0.110	0.000	0.000	0.000	0.000
48	A	48	MET	0	-0.015	-0.025	19.047	-0.015	-0.015	0.000	0.000	0.000	0.000
49	A	49	THR	0	-0.120	-0.091	20.718	-0.019	-0.019	0.000	0.000	0.000	0.000
50	A	50	ALA	0	0.013	0.019	17.318	-0.003	-0.003	0.000	0.000	0.000	0.000
51	A	51	LEU	0	-0.035	0.002	15.093	-0.008	-0.008	0.000	0.000	0.000	0.000
52	A	52	GLN	0	0.008	-0.004	15.478	0.007	0.007	0.000	0.000	0.000	0.000
53	A	53	ALA	0	-0.006	-0.003	16.476	-0.036	-0.036	0.000	0.000	0.000	0.000
54	A	54	THR	0	0.001	-0.028	18.489	-0.045	-0.045	0.000	0.000	0.000	0.000
55	A	55	ALA	0	0.003	0.001	18.701	0.019	0.019	0.000	0.000	0.000	0.000
56	A	56	GLU	-1	-0.953	-0.967	19.643	-0.150	-0.150	0.000	0.000	0.000	0.000
57	A	57	LEU	0	-0.020	0.006	21.869	0.020	0.020	0.000	0.000	0.000	0.000
58	A	58	ASP	-1	-0.791	-0.877	20.231	-0.040	-0.040	0.000	0.000	0.000	0.000
59	A	59	VAL	0	0.051	-0.002	19.063	-0.017	-0.017	0.000	0.000	0.000	0.000
60	A	60	ILE	0	-0.032	-0.013	21.777	-0.007	-0.007	0.000	0.000	0.000	0.000
61	A	61	GLU	-1	-0.892	-0.959	24.652	-0.045	-0.045	0.000	0.000	0.000	0.000
62	A	62	PHE	0	0.012	0.004	23.177	-0.006	-0.006	0.000	0.000	0.000	0.000
63	A	63	LEU	0	-0.029	-0.015	24.633	-0.003	-0.003	0.000	0.000	0.000	0.000
64	A	64	LYS	1	0.864	0.942	27.033	0.026	0.026	0.000	0.000	0.000	0.000
65	A	65	SER	0	-0.072	-0.021	27.459	-0.002	-0.002	0.000	0.000	0.000	0.000
66	A	66	SER	0	-0.015	-0.027	29.904	-0.002	-0.002	0.000	0.000	0.000	0.000
67	A	67	ILE	0	-0.016	0.003	25.417	-0.005	-0.005	0.000	0.000	0.000	0.000
68	A	68	GLU	-1	-0.830	-0.902	27.498	-0.154	-0.154	0.000	0.000	0.000	0.000
69	A	69	LEU	0	-0.029	-0.031	20.830	-0.013	-0.013	0.000	0.000	0.000	0.000
70	A	70	ASP	-1	-0.818	-0.899	20.642	-0.354	-0.354	0.000	0.000	0.000	0.000
71	A	71	TRP	0	0.033	-0.034	18.103	-0.016	-0.016	0.000	0.000	0.000	0.000
72	A	72	GLH	0	-0.044	-0.043	15.439	-0.078	-0.078	0.000	0.000	0.000	0.000
73	A	73	ILE	0	-0.016	-0.006	16.052	-0.024	-0.024	0.000	0.000	0.000	0.000
74	A	74	PHE	0	-0.008	-0.002	16.037	0.019	0.019	0.000	0.000	0.000	0.000
75	A	75	TRP	0	0.057	0.012	11.078	-0.033	-0.033	0.000	0.000	0.000	0.000
76	A	76	ASN	0	0.010	0.007	12.307	-0.111	-0.111	0.000	0.000	0.000	0.000
77	A	77	ILE	0	0.005	0.013	12.837	0.040	0.040	0.000	0.000	0.000	0.000
78	A	78	ALA	0	0.015	0.007	13.187	0.062	0.062	0.000	0.000	0.000	0.000
79	A	79	LEU	0	0.003	-0.003	7.056	0.058	0.058	0.000	0.000	0.000	0.000
80	A	80	GLN	0	-0.027	-0.027	8.890	0.208	0.208	0.000	0.000	0.000	0.000
81	A	81	LEU	0	0.006	0.019	10.954	0.145	0.145	0.000	0.000	0.000	0.000
82	A	82	LEU	0	-0.035	-0.009	8.880	0.113	0.113	0.000	0.000	0.000	0.000
83	A	83	ASP	-1	-0.783	-0.864	7.739	1.297	1.297	0.000	0.000	0.000	0.000
84	A	84	PHE	0	-0.058	-0.023	2.473	-0.293	0.583	0.421	-0.224	-1.074	-0.001
85	A	85	VAL	0	0.005	-0.020	5.875	0.040	0.040	0.000	0.000	0.000	0.000
86	A	86	PRO	0	0.054	0.038	7.923	-0.162	-0.162	0.000	0.000	0.000	0.000
87	A	87	ASN	0	-0.089	-0.069	10.329	0.078	0.078	0.000	0.000	0.000	0.000
88	A	88	PHE	0	-0.074	-0.028	8.799	0.074	0.074	0.000	0.000	0.000	0.000
89	A	89	ASP	-1	-0.827	-0.881	3.662	-0.613	-0.065	0.013	-0.208	-0.352	-0.001
90	A	90	PHE	0	-0.033	-0.019	5.605	-0.361	-0.361	0.000	0.000	0.000	0.000
91	A	91	GLU	-1	-0.828	-0.903	8.123	-0.257	-0.257	0.000	0.000	0.000	0.000
92	A	92	ILE	0	0.019	0.016	11.857	-0.091	-0.091	0.000	0.000	0.000	0.000
93	A	93	GLY	0	-0.031	-0.024	14.142	0.034	0.034	0.000	0.000	0.000	0.000
94	A	94	LYS	1	0.767	0.879	12.493	0.534	0.534	0.000	0.000	0.000	0.000
95	A	95	ALA	0	0.046	0.030	10.787	-0.208	-0.208	0.000	0.000	0.000	0.000
96	A	96	PHE	0	-0.011	0.001	10.927	-0.229	-0.229	0.000	0.000	0.000	0.000
97	A	97	GLU	-1	-0.808	-0.894	11.440	-1.006	-1.006	0.000	0.000	0.000	0.000
98	A	98	TYR	0	-0.034	-0.014	3.214	-1.828	-1.076	0.094	-0.280	-0.566	-0.002
99	A	99	ALA	0	0.041	0.010	6.632	-0.829	-0.829	0.000	0.000	0.000	0.000
100	A	100	LYS	1	0.830	0.920	8.433	0.761	0.761	0.000	0.000	0.000	0.000
101	A	101	ASN	0	-0.059	-0.037	6.421	0.147	0.147	0.000	0.000	0.000	0.000
102	A	102	SER	0	-0.042	-0.011	2.811	-0.688	-0.020	0.027	-0.295	-0.399	-0.001
103	A	103	ASN	0	-0.122	-0.078	5.152	0.401	0.490	-0.001	-0.007	-0.081	0.000
104	A	104	LEU	0	0.003	0.013	6.553	0.340	0.340	0.000	0.000	0.000	0.000
105	A	105	PRO	0	0.007	0.003	9.540	0.042	0.042	0.000	0.000	0.000	0.000
106	A	106	GLN	0	-0.023	-0.018	12.564	-0.001	-0.001	0.000	0.000	0.000	0.000
107	A	107	ILE	0	-0.002	0.012	15.234	0.028	0.028	0.000	0.000	0.000	0.000
108	A	108	GLU	-1	-0.851	-0.919	17.062	-0.816	-0.816	0.000	0.000	0.000	0.000
109	A	109	ALA	0	0.013	0.000	20.126	0.033	0.033	0.000	0.000	0.000	0.000
110	A	110	GLU	-1	-0.938	-0.965	23.148	-0.262	-0.262	0.000	0.000	0.000	0.000
111	A	111	MET	0	-0.042	0.007	21.575	0.002	0.002	0.000	0.000	0.000	0.000
112	A	112	THR	0	0.020	0.011	25.479	0.018	0.018	0.000	0.000	0.000	0.000
113	A	113	THR	0	0.038	-0.004	26.618	-0.010	-0.010	0.000	0.000	0.000	0.000
114	A	114	GLU	-1	-0.967	-0.981	27.378	-0.183	-0.183	0.000	0.000	0.000	0.000
115	A	115	ASN	0	-0.001	-0.020	24.010	-0.004	-0.004	0.000	0.000	0.000	0.000
116	A	116	ILE	0	-0.028	-0.005	21.384	-0.027	-0.027	0.000	0.000	0.000	0.000
117	A	117	ILE	0	-0.030	-0.009	22.602	0.000	0.000	0.000	0.000	0.000	0.000
118	A	118	SER	0	0.012	-0.012	22.777	0.006	0.006	0.000	0.000	0.000	0.000
119	A	119	ALA	0	-0.030	-0.006	18.663	-0.016	-0.016	0.000	0.000	0.000	0.000
120	A	120	PHE	0	-0.004	-0.013	18.220	-0.018	-0.018	0.000	0.000	0.000	0.000
121	A	121	TYR	0	-0.011	-0.008	19.492	0.018	0.018	0.000	0.000	0.000	0.000
122	A	122	TYR	0	0.024	-0.033	17.309	0.028	0.028	0.000	0.000	0.000	0.000
123	A	123	LEU	0	-0.031	0.017	13.279	-0.023	-0.023	0.000	0.000	0.000	0.000
124	A	124	LEU	0	-0.013	-0.010	15.044	0.045	0.045	0.000	0.000	0.000	0.000
125	A	125	CYS	0	-0.078	-0.026	16.547	0.067	0.067	0.000	0.000	0.000	0.000
126	A	126	THR	0	-0.055	-0.030	10.500	-0.074	-0.074	0.000	0.000	0.000	0.000
127	A	127	ARG	1	0.752	0.847	8.486	-0.260	-0.260	0.000	0.000	0.000	0.000
128	A	128	ARG	1	0.797	0.898	9.085	-0.765	-0.765	0.000	0.000	0.000	0.000
129	A	129	LYS	1	0.839	0.904	2.234	-2.403	-2.081	2.364	-0.470	-2.216	0.002
130	A	130	THR	0	0.001	-0.022	5.737	1.147	1.301	-0.001	-0.007	-0.146	0.000
131	A	131	GLY	0	-0.015	-0.017	8.355	-0.219	-0.219	0.000	0.000	0.000	0.000
132	A	132	MET	0	0.009	0.021	10.039	-0.231	-0.231	0.000	0.000	0.000	0.000
133	A	133	ILE	0	-0.010	0.003	12.203	0.034	0.034	0.000	0.000	0.000	0.000
134	A	134	LEU	0	0.030	0.016	13.772	0.048	0.048	0.000	0.000	0.000	0.000
135	A	135	VAL	0	0.007	0.006	15.423	0.034	0.034	0.000	0.000	0.000	0.000
136	A	136	GLU	-1	-0.790	-0.871	17.297	0.184	0.184	0.000	0.000	0.000	0.000
137	A	137	HIS	0	-0.032	0.000	14.931	0.078	0.078	0.000	0.000	0.000	0.000
138	A	138	TRP	0	0.092	0.035	17.113	-0.019	-0.019	0.000	0.000	0.000	0.000
139	A	139	VAL	0	-0.021	0.002	19.680	-0.011	-0.011	0.000	0.000	0.000	0.000
140	A	140	SER	0	-0.099	-0.062	19.223	0.006	0.006	0.000	0.000	0.000	0.000
141	A	141	GLU	-1	-0.867	-0.951	17.734	0.344	0.344	0.000	0.000	0.000	0.000
142	A	142	GLY	0	-0.094	-0.055	21.898	-0.015	-0.015	0.000	0.000	0.000	0.000
143	A	143	LEU	0	-0.010	0.007	22.259	-0.016	-0.016	0.000	0.000	0.000	0.000
144	A	144	LEU	0	0.018	0.021	24.935	-0.018	-0.018	0.000	0.000	0.000	0.000
145	A	145	PRO	0	0.008	0.007	27.784	0.019	0.019	0.000	0.000	0.000	0.000
146	A	146	LEU	0	-0.012	-0.010	27.829	0.000	0.000	0.000	0.000	0.000	0.000
147	A	147	ASP	-1	-0.825	-0.911	31.175	0.058	0.058	0.000	0.000	0.000	0.000
148	A	148	ASN	0	-0.092	-0.043	32.799	0.001	0.001	0.000	0.000	0.000	0.000
149	A	149	HIS	0	-0.024	-0.001	33.058	-0.008	-0.008	0.000	0.000	0.000	0.000
150	A	150	TYR	0	-0.023	-0.024	30.127	0.006	0.006	0.000	0.000	0.000	0.000
151	A	151	HIS	0	-0.014	-0.011	28.403	-0.013	-0.013	0.000	0.000	0.000	0.000
152	A	152	PHE	0	-0.016	-0.024	26.627	0.008	0.008	0.000	0.000	0.000	0.000
153	A	153	PHE	0	0.035	0.009	20.248	-0.003	-0.003	0.000	0.000	0.000	0.000
154	A	154	ASN	0	0.014	-0.017	20.585	-0.002	-0.002	0.000	0.000	0.000	0.000
155	A	155	ASP	-1	-0.827	-0.915	22.662	-0.091	-0.091	0.000	0.000	0.000	0.000
156	A	156	LYS	1	0.809	0.910	18.933	0.115	0.115	0.000	0.000	0.000	0.000
157	A	157	SER	0	-0.056	-0.037	23.529	-0.002	-0.002	0.000	0.000	0.000	0.000
158	A	158	LEU	0	0.056	0.025	22.291	0.020	0.020	0.000	0.000	0.000	0.000
159	A	159	ALA	0	0.002	-0.003	23.417	-0.002	-0.002	0.000	0.000	0.000	0.000
160	A	160	THR	0	-0.013	-0.018	25.185	0.013	0.013	0.000	0.000	0.000	0.000
161	A	161	PHE	0	-0.036	-0.012	28.628	-0.007	-0.007	0.000	0.000	0.000	0.000
162	A	162	ASP	-1	-0.830	-0.899	29.353	0.158	0.158	0.000	0.000	0.000	0.000
163	A	163	SER	0	0.039	0.011	28.501	-0.002	-0.002	0.000	0.000	0.000	0.000
164	A	164	SER	0	-0.136	-0.090	30.485	-0.002	-0.002	0.000	0.000	0.000	0.000
165	A	165	LEU	0	-0.052	-0.031	33.180	-0.009	-0.009	0.000	0.000	0.000	0.000
166	A	166	LEU	0	-0.041	0.000	30.350	-0.009	-0.009	0.000	0.000	0.000	0.000
167	A	167	GLU	-1	-0.834	-0.872	35.025	0.089	0.089	0.000	0.000	0.000	0.000
168	A	168	ARG	1	0.938	0.969	31.850	-0.155	-0.155	0.000	0.000	0.000	0.000
169	A	169	GLU	-1	-0.832	-0.910	38.264	0.070	0.070	0.000	0.000	0.000	0.000
170	A	170	VAL	0	-0.027	-0.013	40.275	0.004	0.004	0.000	0.000	0.000	0.000
171	A	171	LEU	0	-0.001	0.003	42.726	-0.004	-0.004	0.000	0.000	0.000	0.000
172	A	172	TRP	0	-0.047	-0.037	44.256	0.003	0.003	0.000	0.000	0.000	0.000
173	A	173	VAL	0	0.024	0.020	43.772	-0.004	-0.004	0.000	0.000	0.000	0.000
174	A	174	GLU	-1	-0.802	-0.873	46.497	0.035	0.035	0.000	0.000	0.000	0.000
175	A	175	SER	0	-0.019	-0.016	46.627	-0.003	-0.003	0.000	0.000	0.000	0.000
176	A	176	PRO	0	0.015	0.007	47.362	-0.001	-0.001	0.000	0.000	0.000	0.000
177	A	177	VAL	0	0.015	0.009	47.365	-0.003	-0.003	0.000	0.000	0.000	0.000
178	A	178	ASP	-1	-0.721	-0.858	50.421	0.035	0.035	0.000	0.000	0.000	0.000
179	A	179	SER	0	-0.035	-0.017	48.940	0.000	0.000	0.000	0.000	0.000	0.000
180	A	180	GLU	-1	-0.914	-0.971	51.057	0.050	0.050	0.000	0.000	0.000	0.000
181	A	181	GLN	0	-0.046	-0.013	53.945	0.001	0.001	0.000	0.000	0.000	0.000
182	A	182	ARG	1	0.792	0.879	52.770	-0.043	-0.043	0.000	0.000	0.000	0.000
183	A	183	GLY	0	-0.053	-0.029	57.915	-0.001	-0.001	0.000	0.000	0.000	0.000
184	A	184	GLU	-1	-0.932	-0.963	56.146	0.038	0.038	0.000	0.000	0.000	0.000
185	A	185	ASN	0	-0.086	-0.048	52.297	0.000	0.000	0.000	0.000	0.000	0.000
186	A	186	ASP	-1	-0.768	-0.867	48.861	0.046	0.046	0.000	0.000	0.000	0.000
187	A	187	LEU	0	-0.056	-0.013	48.979	0.000	0.000	0.000	0.000	0.000	0.000
188	A	188	ILE	0	0.005	-0.010	42.517	0.003	0.003	0.000	0.000	0.000	0.000
189	A	189	LYS	1	0.899	0.971	41.619	-0.093	-0.093	0.000	0.000	0.000	0.000
190	A	190	ILE	0	-0.010	-0.004	39.480	0.002	0.002	0.000	0.000	0.000	0.000
191	A	191	GLN	0	-0.021	-0.004	36.551	0.003	0.003	0.000	0.000	0.000	0.000
192	A	192	ILE	0	-0.005	-0.006	36.757	0.001	0.001	0.000	0.000	0.000	0.000
193	A	193	ILE	0	0.033	0.010	31.944	0.003	0.003	0.000	0.000	0.000	0.000
194	A	194	ARG	1	0.875	0.930	33.801	-0.073	-0.073	0.000	0.000	0.000	0.000
195	A	195	PRO	0	0.081	0.058	31.983	0.003	0.003	0.000	0.000	0.000	0.000
196	A	196	LYS	1	0.950	0.971	34.366	-0.077	-0.077	0.000	0.000	0.000	0.000
197	A	197	SER	0	0.080	0.024	35.920	0.000	0.000	0.000	0.000	0.000	0.000
198	A	198	THR	0	-0.056	-0.025	37.849	0.001	0.001	0.000	0.000	0.000	0.000
199	A	199	GLU	-1	-0.959	-0.975	36.832	0.021	0.021	0.000	0.000	0.000	0.000
200	A	200	LYS	1	0.773	0.876	38.763	-0.025	-0.025	0.000	0.000	0.000	0.000
201	A	201	LEU	0	0.015	0.003	34.111	-0.001	-0.001	0.000	0.000	0.000	0.000
202	A	202	PRO	0	0.038	0.045	32.170	0.000	0.000	0.000	0.000	0.000	0.000
203	A	203	VAL	0	-0.066	-0.053	33.476	0.010	0.010	0.000	0.000	0.000	0.000
204	A	204	VAL	0	0.044	0.028	27.490	-0.009	-0.009	0.000	0.000	0.000	0.000
205	A	205	MET	0	-0.058	-0.031	30.909	0.010	0.010	0.000	0.000	0.000	0.000
206	A	206	THR	0	0.013	0.022	29.331	0.001	0.001	0.000	0.000	0.000	0.000
207	A	207	ALA	0	0.022	0.004	31.807	0.003	0.003	0.000	0.000	0.000	0.000
208	A	208	SER	0	0.033	0.000	32.139	0.000	0.000	0.000	0.000	0.000	0.000
209	A	209	PRO	0	0.023	0.009	34.128	0.003	0.003	0.000	0.000	0.000	0.000
210	A	210	TYR	0	0.018	0.005	30.700	0.000	0.000	0.000	0.000	0.000	0.000
211	A	211	HIS	0	-0.009	0.001	32.765	0.006	0.006	0.000	0.000	0.000	0.000
212	A	212	LEU	0	-0.070	-0.033	34.610	0.006	0.006	0.000	0.000	0.000	0.000
213	A	213	GLY	0	-0.029	-0.018	36.434	-0.003	-0.003	0.000	0.000	0.000	0.000
214	A	214	ILE	0	0.013	0.010	34.974	-0.007	-0.007	0.000	0.000	0.000	0.000
215	A	215	ASN	0	-0.047	-0.024	37.650	0.005	0.005	0.000	0.000	0.000	0.000
216	A	216	ASP	-1	-0.810	-0.921	35.895	0.136	0.136	0.000	0.000	0.000	0.000
217	A	217	LYS	1	0.932	0.967	38.934	-0.100	-0.100	0.000	0.000	0.000	0.000
218	A	218	ALA	0	-0.016	-0.011	42.369	-0.004	-0.004	0.000	0.000	0.000	0.000
219	A	219	ASN	0	0.001	-0.003	37.474	-0.007	-0.007	0.000	0.000	0.000	0.000
220	A	220	ASP	-1	-0.865	-0.943	38.762	0.112	0.112	0.000	0.000	0.000	0.000
221	A	221	LEU	0	-0.120	-0.060	41.377	-0.004	-0.004	0.000	0.000	0.000	0.000
222	A	222	ALA	0	-0.005	0.009	43.469	-0.005	-0.005	0.000	0.000	0.000	0.000
223	A	223	LEU	0	-0.041	0.001	38.733	-0.004	-0.004	0.000	0.000	0.000	0.000
224	A	224	HIS	1	0.781	0.866	42.632	-0.062	-0.062	0.000	0.000	0.000	0.000
225	A	225	ASP	-1	-0.836	-0.919	43.183	0.064	0.064	0.000	0.000	0.000	0.000
226	A	226	MET	0	-0.010	0.009	40.273	-0.004	-0.004	0.000	0.000	0.000	0.000
227	A	227	ASN	0	-0.076	-0.038	43.993	-0.001	-0.001	0.000	0.000	0.000	0.000
228	A	228	VAL	0	0.001	0.003	46.485	-0.001	-0.001	0.000	0.000	0.000	0.000
229	A	229	GLU	-1	-0.900	-0.946	48.622	0.025	0.025	0.000	0.000	0.000	0.000
230	A	230	LEU	0	-0.035	-0.006	46.949	0.001	0.001	0.000	0.000	0.000	0.000
231	A	231	GLU	-1	-0.847	-0.911	50.117	0.022	0.022	0.000	0.000	0.000	0.000
232	A	232	GLU	-1	-0.881	-0.905	51.884	0.010	0.010	0.000	0.000	0.000	0.000
233	A	233	LYS	1	0.749	0.859	47.671	-0.012	-0.012	0.000	0.000	0.000	0.000
234	A	234	THR	0	0.028	0.014	54.458	-0.001	-0.001	0.000	0.000	0.000	0.000
235	A	235	SER	0	-0.044	-0.019	56.252	0.000	0.000	0.000	0.000	0.000	0.000
236	A	236	HIS	0	-0.087	-0.051	53.401	0.001	0.001	0.000	0.000	0.000	0.000
237	A	237	GLU	-1	-0.924	-0.959	53.678	-0.008	-0.008	0.000	0.000	0.000	0.000
238	A	238	ILE	0	-0.049	-0.020	49.482	0.001	0.001	0.000	0.000	0.000	0.000
239	A	239	HIS	0	-0.009	-0.004	52.715	-0.001	-0.001	0.000	0.000	0.000	0.000
240	A	240	VAL	0	-0.034	-0.022	48.808	0.002	0.002	0.000	0.000	0.000	0.000
241	A	241	GLU	-1	-0.935	-0.961	52.172	-0.002	-0.002	0.000	0.000	0.000	0.000
242	A	242	GLN	0	-0.067	-0.029	46.803	0.004	0.004	0.000	0.000	0.000	0.000
243	A	243	LYS	1	0.877	0.927	50.197	-0.017	-0.017	0.000	0.000	0.000	0.000
244	A	244	LEU	0	-0.010	0.004	46.099	0.003	0.003	0.000	0.000	0.000	0.000
245	A	245	PRO	0	-0.002	-0.005	47.760	0.000	0.000	0.000	0.000	0.000	0.000
246	A	246	GLN	0	0.007	0.003	50.813	-0.001	-0.001	0.000	0.000	0.000	0.000
247	A	247	LYS	1	0.915	0.972	46.707	-0.015	-0.015	0.000	0.000	0.000	0.000
248	A	248	LEU	0	0.009	0.014	52.294	-0.002	-0.002	0.000	0.000	0.000	0.000
249	A	249	SER	0	-0.007	-0.012	53.577	0.001	0.001	0.000	0.000	0.000	0.000
250	A	250	ALA	0	0.021	0.020	54.944	0.000	0.000	0.000	0.000	0.000	0.000
251	A	251	LYS	1	0.952	0.970	56.707	-0.028	-0.028	0.000	0.000	0.000	0.000
252	A	252	ALA	0	0.009	0.002	58.577	0.001	0.001	0.000	0.000	0.000	0.000
253	A	253	LYS	1	0.816	0.894	55.080	-0.030	-0.030	0.000	0.000	0.000	0.000
254	A	254	GLU	-1	-0.931	-0.962	59.488	0.021	0.021	0.000	0.000	0.000	0.000
255	A	255	LEU	0	-0.030	-0.004	56.366	0.001	0.001	0.000	0.000	0.000	0.000
256	A	256	PRO	0	-0.013	0.002	58.020	-0.001	-0.001	0.000	0.000	0.000	0.000
257	A	257	ILE	0	-0.022	-0.030	52.392	0.001	0.001	0.000	0.000	0.000	0.000
258	A	258	VAL	0	-0.029	-0.010	50.543	-0.001	-0.001	0.000	0.000	0.000	0.000
259	A	259	ASP	-1	-0.903	-0.949	49.921	0.049	0.049	0.000	0.000	0.000	0.000
260	A	260	LYS	1	0.853	0.920	43.706	-0.070	-0.070	0.000	0.000	0.000	0.000
261	A	261	ALA	0	0.004	0.007	44.733	-0.002	-0.002	0.000	0.000	0.000	0.000
262	A	262	PRO	0	-0.025	-0.015	46.606	0.003	0.003	0.000	0.000	0.000	0.000
263	A	263	TYR	0	-0.025	-0.006	45.952	0.003	0.003	0.000	0.000	0.000	0.000
264	A	264	ARG	1	0.860	0.910	39.676	-0.095	-0.095	0.000	0.000	0.000	0.000
265	A	265	PHE	0	-0.043	-0.021	35.392	-0.002	-0.002	0.000	0.000	0.000	0.000
266	A	266	THR	0	0.016	-0.009	37.045	-0.003	-0.003	0.000	0.000	0.000	0.000
267	A	267	HIS	0	0.003	-0.002	34.325	0.012	0.012	0.000	0.000	0.000	0.000
268	A	268	GLY	0	0.005	-0.010	33.189	-0.013	-0.013	0.000	0.000	0.000	0.000
269	A	269	TRP	0	0.001	0.020	26.364	0.003	0.003	0.000	0.000	0.000	0.000
270	A	270	THR	0	-0.044	-0.053	26.834	-0.017	-0.017	0.000	0.000	0.000	0.000
271	A	271	TYR	0	-0.046	-0.045	21.278	0.028	0.028	0.000	0.000	0.000	0.000
272	A	272	SER	0	0.096	0.045	19.826	-0.029	-0.029	0.000	0.000	0.000	0.000
273	A	273	LEU	0	0.018	0.012	19.932	0.004	0.004	0.000	0.000	0.000	0.000
274	A	274	ASN	0	0.017	0.001	22.239	-0.019	-0.019	0.000	0.000	0.000	0.000
275	A	275	ASP	-1	-0.831	-0.908	24.006	0.220	0.220	0.000	0.000	0.000	0.000
276	A	276	TYR	0	-0.055	-0.050	18.528	-0.014	-0.014	0.000	0.000	0.000	0.000
277	A	277	PHE	0	0.028	0.023	22.820	-0.011	-0.011	0.000	0.000	0.000	0.000
278	A	278	LEU	0	-0.032	0.010	25.614	-0.016	-0.016	0.000	0.000	0.000	0.000
279	A	279	THR	0	-0.045	-0.038	24.742	-0.019	-0.019	0.000	0.000	0.000	0.000
280	A	280	ARG	1	0.814	0.889	20.619	-0.198	-0.198	0.000	0.000	0.000	0.000
281	A	281	GLY	0	0.033	0.038	26.951	-0.017	-0.017	0.000	0.000	0.000	0.000
282	A	282	PHE	0	-0.003	0.001	27.516	-0.014	-0.014	0.000	0.000	0.000	0.000
283	A	283	ALA	0	-0.006	0.007	30.413	0.013	0.013	0.000	0.000	0.000	0.000
284	A	284	SER	0	0.015	0.003	29.984	0.002	0.002	0.000	0.000	0.000	0.000
285	A	285	ILE	0	-0.044	-0.029	32.238	-0.002	-0.002	0.000	0.000	0.000	0.000
286	A	286	TYR	0	0.033	0.030	29.060	0.002	0.002	0.000	0.000	0.000	0.000
287	A	287	VAL	0	-0.014	-0.014	34.834	-0.004	-0.004	0.000	0.000	0.000	0.000
288	A	288	ALA	0	0.044	0.011	36.568	0.003	0.003	0.000	0.000	0.000	0.000
289	A	289	GLY	0	0.060	0.021	38.603	-0.002	-0.002	0.000	0.000	0.000	0.000
290	A	290	VAL	0	-0.019	-0.002	41.436	0.003	0.003	0.000	0.000	0.000	0.000
291	A	291	GLY	0	-0.015	0.013	43.635	0.002	0.002	0.000	0.000	0.000	0.000
292	A	292	THR	0	-0.042	-0.038	39.998	0.006	0.006	0.000	0.000	0.000	0.000
293	A	293	ARG	1	0.849	0.901	40.646	-0.109	-0.109	0.000	0.000	0.000	0.000
294	A	294	SER	0	-0.058	-0.044	43.476	0.003	0.003	0.000	0.000	0.000	0.000
295	A	295	SER	0	0.032	0.035	43.753	-0.003	-0.003	0.000	0.000	0.000	0.000
296	A	296	ASP	-1	-0.819	-0.883	46.660	0.052	0.052	0.000	0.000	0.000	0.000
297	A	297	GLY	0	0.087	0.035	47.774	0.002	0.002	0.000	0.000	0.000	0.000
298	A	298	PHE	0	0.053	0.029	47.629	0.004	0.004	0.000	0.000	0.000	0.000
299	A	299	GLN	0	0.040	0.012	41.037	-0.005	-0.005	0.000	0.000	0.000	0.000
300	A	300	THR	0	-0.074	-0.065	44.783	0.001	0.001	0.000	0.000	0.000	0.000
301	A	301	SER	0	0.015	0.013	40.977	-0.001	-0.001	0.000	0.000	0.000	0.000
302	A	302	GLY	0	0.088	0.043	39.793	-0.003	-0.003	0.000	0.000	0.000	0.000
303	A	303	ASP	-1	-0.759	-0.831	40.791	0.032	0.032	0.000	0.000	0.000	0.000
304	A	304	TYR	0	0.070	-0.018	41.205	0.002	0.002	0.000	0.000	0.000	0.000
305	A	305	GLN	0	-0.075	-0.033	44.488	-0.001	-0.001	0.000	0.000	0.000	0.000
306	A	306	GLN	0	0.073	0.034	39.777	-0.001	-0.001	0.000	0.000	0.000	0.000
307	A	307	ILE	0	0.009	0.032	38.470	0.003	0.003	0.000	0.000	0.000	0.000
308	A	308	TYR	0	0.016	-0.013	41.402	-0.001	-0.001	0.000	0.000	0.000	0.000
309	A	309	SER	0	-0.080	-0.045	42.495	0.002	0.002	0.000	0.000	0.000	0.000
310	A	310	MET	0	0.000	0.003	37.613	0.004	0.004	0.000	0.000	0.000	0.000
311	A	311	THR	0	0.047	0.008	39.619	0.001	0.001	0.000	0.000	0.000	0.000
312	A	312	ALA	0	0.004	0.017	41.185	-0.002	-0.002	0.000	0.000	0.000	0.000
313	A	313	VAL	0	-0.025	-0.014	39.027	-0.001	-0.001	0.000	0.000	0.000	0.000
314	A	314	ILE	0	0.057	0.024	37.004	0.001	0.001	0.000	0.000	0.000	0.000
315	A	315	ASP	-1	-0.802	-0.886	40.728	0.019	0.019	0.000	0.000	0.000	0.000
316	A	316	TRP	0	-0.092	-0.041	41.152	0.000	0.000	0.000	0.000	0.000	0.000
317	A	317	LEU	0	-0.038	-0.029	38.151	0.000	0.000	0.000	0.000	0.000	0.000
318	A	318	ASN	0	-0.060	-0.036	40.533	-0.005	-0.005	0.000	0.000	0.000	0.000
319	A	319	GLY	0	-0.063	-0.016	44.237	-0.003	-0.003	0.000	0.000	0.000	0.000
320	A	320	ARG	1	0.799	0.879	43.005	-0.016	-0.016	0.000	0.000	0.000	0.000
321	A	321	ALA	0	-0.012	-0.006	46.843	0.000	0.000	0.000	0.000	0.000	0.000
322	A	322	ARG	1	0.852	0.909	48.724	-0.027	-0.027	0.000	0.000	0.000	0.000
323	A	323	ALA	0	0.050	0.034	46.696	0.002	0.002	0.000	0.000	0.000	0.000
324	A	324	TYR	0	-0.067	-0.077	48.666	-0.003	-0.003	0.000	0.000	0.000	0.000
325	A	325	THR	0	0.028	0.002	48.654	0.003	0.003	0.000	0.000	0.000	0.000
326	A	326	SER	0	-0.022	-0.023	49.318	0.004	0.004	0.000	0.000	0.000	0.000
327	A	327	ARG	1	0.907	0.941	49.203	-0.064	-0.064	0.000	0.000	0.000	0.000
328	A	328	LYS	1	0.936	0.968	52.255	-0.053	-0.053	0.000	0.000	0.000	0.000
329	A	329	LYS	1	0.856	0.949	53.744	-0.043	-0.043	0.000	0.000	0.000	0.000
330	A	330	THR	0	-0.009	-0.015	55.354	-0.002	-0.002	0.000	0.000	0.000	0.000
331	A	331	HIS	0	0.017	0.013	53.831	0.000	0.000	0.000	0.000	0.000	0.000
332	A	332	GLU	-1	-0.796	-0.875	52.224	0.033	0.033	0.000	0.000	0.000	0.000
333	A	333	ILE	0	0.012	0.002	46.924	0.001	0.001	0.000	0.000	0.000	0.000
334	A	334	LYS	1	0.937	0.977	47.936	-0.030	-0.030	0.000	0.000	0.000	0.000
335	A	335	ALA	0	0.079	0.057	42.660	0.003	0.003	0.000	0.000	0.000	0.000
336	A	336	SER	0	-0.024	-0.025	43.889	-0.002	-0.002	0.000	0.000	0.000	0.000
337	A	337	TRP	0	0.056	0.017	36.886	-0.003	-0.003	0.000	0.000	0.000	0.000
338	A	338	ALA	0	0.038	0.045	39.184	0.001	0.001	0.000	0.000	0.000	0.000
339	A	339	ASN	0	0.012	0.005	35.778	-0.001	-0.001	0.000	0.000	0.000	0.000
340	A	340	GLY	0	0.034	0.023	39.467	-0.004	-0.004	0.000	0.000	0.000	0.000
341	A	341	LYS	1	0.792	0.907	35.106	0.004	0.004	0.000	0.000	0.000	0.000
342	A	342	VAL	0	-0.064	-0.047	34.199	0.009	0.009	0.000	0.000	0.000	0.000
343	A	343	ALA	0	0.068	0.046	29.346	-0.009	-0.009	0.000	0.000	0.000	0.000
344	A	344	MET	0	-0.056	-0.022	30.912	0.008	0.008	0.000	0.000	0.000	0.000
345	A	345	THR	0	0.015	-0.010	25.979	-0.008	-0.008	0.000	0.000	0.000	0.000
346	A	346	GLY	0	0.023	0.001	26.044	0.006	0.006	0.000	0.000	0.000	0.000
347	A	347	LYS	1	0.879	0.930	22.717	-0.205	-0.205	0.000	0.000	0.000	0.000
348	A	348	SER	0	-0.016	-0.019	26.441	0.002	0.002	0.000	0.000	0.000	0.000
349	A	349	TYR	0	0.049	0.043	28.928	-0.015	-0.015	0.000	0.000	0.000	0.000
350	A	350	LEU	0	-0.001	-0.001	28.562	-0.009	-0.009	0.000	0.000	0.000	0.000
351	A	351	GLY	0	0.039	0.033	28.892	-0.008	-0.008	0.000	0.000	0.000	0.000
352	A	352	THR	0	-0.054	-0.040	29.704	-0.014	-0.014	0.000	0.000	0.000	0.000
353	A	353	MET	0	-0.052	-0.013	33.013	-0.009	-0.009	0.000	0.000	0.000	0.000
354	A	354	ALA	0	0.017	0.016	30.903	-0.006	-0.006	0.000	0.000	0.000	0.000
355	A	355	TYR	0	0.039	0.020	28.711	-0.011	-0.011	0.000	0.000	0.000	0.000
356	A	356	GLY	0	0.029	0.015	33.920	-0.006	-0.006	0.000	0.000	0.000	0.000
357	A	357	ALA	0	0.026	0.000	36.032	-0.005	-0.005	0.000	0.000	0.000	0.000
358	A	358	ALA	0	0.035	0.035	34.532	-0.004	-0.004	0.000	0.000	0.000	0.000
359	A	359	THR	0	-0.081	-0.042	36.668	-0.004	-0.004	0.000	0.000	0.000	0.000
360	A	360	THR	0	-0.086	-0.063	39.475	-0.001	-0.001	0.000	0.000	0.000	0.000
361	A	361	GLY	0	0.001	0.007	40.389	-0.001	-0.001	0.000	0.000	0.000	0.000
362	A	362	VAL	0	-0.082	-0.028	39.679	-0.001	-0.001	0.000	0.000	0.000	0.000
363	A	363	GLU	-1	-0.877	-0.950	40.169	0.000	0.000	0.000	0.000	0.000	0.000
364	A	364	GLY	0	0.057	0.032	39.329	0.005	0.005	0.000	0.000	0.000	0.000
365	A	365	LEU	0	-0.062	-0.028	34.090	0.004	0.004	0.000	0.000	0.000	0.000
366	A	366	GLU	-1	-0.815	-0.894	33.247	-0.012	-0.012	0.000	0.000	0.000	0.000
367	A	367	LEU	0	-0.057	-0.025	27.570	-0.009	-0.009	0.000	0.000	0.000	0.000
368	A	368	ILE	0	-0.041	-0.018	30.006	0.013	0.013	0.000	0.000	0.000	0.000
369	A	369	LEU	0	-0.003	-0.002	22.312	-0.013	-0.013	0.000	0.000	0.000	0.000
370	A	370	ALA	0	0.001	0.008	26.291	0.019	0.019	0.000	0.000	0.000	0.000
371	A	371	GLU	-1	-0.800	-0.887	21.321	0.125	0.125	0.000	0.000	0.000	0.000
372	A	372	ALA	0	0.003	0.001	24.323	0.014	0.014	0.000	0.000	0.000	0.000
373	A	373	GLY	0	0.000	0.008	26.059	0.010	0.010	0.000	0.000	0.000	0.000
374	A	374	ILE	0	-0.011	-0.021	29.570	-0.009	-0.009	0.000	0.000	0.000	0.000
375	A	375	SER	0	-0.024	-0.040	32.923	0.000	0.000	0.000	0.000	0.000	0.000
376	A	376	SER	0	-0.011	-0.013	34.902	-0.001	-0.001	0.000	0.000	0.000	0.000
377	A	377	TRP	0	0.042	0.000	36.349	0.003	0.003	0.000	0.000	0.000	0.000
378	A	378	TYR	0	-0.018	-0.002	38.629	0.002	0.002	0.000	0.000	0.000	0.000
379	A	379	ASN	0	-0.013	-0.029	35.727	0.003	0.003	0.000	0.000	0.000	0.000
380	A	380	TYR	0	-0.054	-0.011	31.651	0.001	0.001	0.000	0.000	0.000	0.000
381	A	381	TYR	0	-0.031	-0.038	35.713	0.002	0.002	0.000	0.000	0.000	0.000
382	A	382	ARG	1	0.764	0.877	38.505	-0.036	-0.036	0.000	0.000	0.000	0.000
383	A	383	GLU	-1	-0.767	-0.889	35.089	0.012	0.012	0.000	0.000	0.000	0.000
384	A	384	ASN	0	-0.033	-0.024	38.621	-0.001	-0.001	0.000	0.000	0.000	0.000
385	A	385	GLY	0	0.075	0.040	42.040	0.000	0.000	0.000	0.000	0.000	0.000
386	A	386	LEU	0	-0.031	0.001	41.001	0.001	0.001	0.000	0.000	0.000	0.000
387	A	387	VAL	0	0.007	0.003	41.801	0.001	0.001	0.000	0.000	0.000	0.000
388	A	388	ARG	1	0.753	0.861	34.754	-0.031	-0.031	0.000	0.000	0.000	0.000
389	A	389	SER	0	-0.010	-0.013	36.530	0.000	0.000	0.000	0.000	0.000	0.000
390	A	390	PRO	0	0.048	0.057	32.713	-0.003	-0.003	0.000	0.000	0.000	0.000
391	A	391	GLY	0	0.036	0.011	29.974	0.005	0.005	0.000	0.000	0.000	0.000
392	A	392	GLY	0	-0.068	-0.035	29.894	0.010	0.010	0.000	0.000	0.000	0.000
393	A	393	PHE	0	-0.040	-0.016	29.356	0.012	0.012	0.000	0.000	0.000	0.000
394	A	394	PRO	0	0.028	0.007	33.973	-0.008	-0.008	0.000	0.000	0.000	0.000
395	A	395	GLY	0	0.048	0.010	37.223	0.003	0.003	0.000	0.000	0.000	0.000
396	A	396	GLU	-1	-0.877	-0.912	35.114	0.088	0.088	0.000	0.000	0.000	0.000
397	A	397	ASP	-1	-0.761	-0.889	38.993	0.041	0.041	0.000	0.000	0.000	0.000
398	A	398	LEU	0	0.018	0.011	40.007	0.004	0.004	0.000	0.000	0.000	0.000
399	A	399	ASP	-1	-0.743	-0.842	41.521	0.059	0.059	0.000	0.000	0.000	0.000
400	A	400	VAL	0	-0.018	0.004	39.894	0.002	0.002	0.000	0.000	0.000	0.000
401	A	401	LEU	0	0.043	0.034	36.035	0.006	0.006	0.000	0.000	0.000	0.000
402	A	402	ALA	0	-0.010	-0.003	39.329	0.004	0.004	0.000	0.000	0.000	0.000
403	A	403	ALA	0	-0.004	-0.009	42.375	0.002	0.002	0.000	0.000	0.000	0.000
404	A	404	LEU	0	-0.047	-0.005	35.150	0.003	0.003	0.000	0.000	0.000	0.000
405	A	405	THR	0	0.005	-0.026	37.024	0.004	0.004	0.000	0.000	0.000	0.000
406	A	406	TYR	0	0.012	0.033	39.737	-0.003	-0.003	0.000	0.000	0.000	0.000
407	A	407	SER	0	0.036	0.002	40.197	-0.002	-0.002	0.000	0.000	0.000	0.000
408	A	408	ARG	1	0.760	0.868	42.559	-0.058	-0.058	0.000	0.000	0.000	0.000
409	A	409	ASN	0	-0.016	-0.031	46.003	-0.002	-0.002	0.000	0.000	0.000	0.000
410	A	410	LEU	0	-0.056	-0.009	40.331	0.001	0.001	0.000	0.000	0.000	0.000
411	A	411	ASP	-1	-0.879	-0.907	44.786	0.094	0.094	0.000	0.000	0.000	0.000
412	A	412	GLY	0	0.040	0.013	47.496	-0.004	-0.004	0.000	0.000	0.000	0.000
413	A	413	ALA	0	-0.021	-0.024	50.655	-0.003	-0.003	0.000	0.000	0.000	0.000
414	A	414	ASP	-1	-0.790	-0.883	49.369	0.060	0.060	0.000	0.000	0.000	0.000
415	A	415	PHE	0	0.034	0.023	49.981	-0.003	-0.003	0.000	0.000	0.000	0.000
416	A	416	LEU	0	-0.062	-0.039	51.615	-0.003	-0.003	0.000	0.000	0.000	0.000
417	A	417	LYS	1	0.841	0.933	52.563	-0.059	-0.059	0.000	0.000	0.000	0.000
418	A	418	GLY	0	-0.007	-0.008	53.086	-0.003	-0.003	0.000	0.000	0.000	0.000
419	A	419	ASN	0	0.009	0.005	51.152	0.002	0.002	0.000	0.000	0.000	0.000
420	A	420	ALA	0	0.001	0.002	52.984	0.000	0.000	0.000	0.000	0.000	0.000
421	A	421	GLU	-1	-0.785	-0.888	54.356	0.039	0.039	0.000	0.000	0.000	0.000
422	A	422	TYR	0	0.007	0.004	46.414	0.000	0.000	0.000	0.000	0.000	0.000
423	A	423	GLU	-1	-0.865	-0.930	51.028	0.058	0.058	0.000	0.000	0.000	0.000
424	A	424	LYS	1	0.864	0.950	52.469	-0.037	-0.037	0.000	0.000	0.000	0.000
425	A	425	ARG	1	0.819	0.881	51.231	-0.041	-0.041	0.000	0.000	0.000	0.000
426	A	426	LEU	0	-0.020	0.006	46.065	-0.001	-0.001	0.000	0.000	0.000	0.000
427	A	427	ALA	0	0.000	0.006	49.767	-0.001	-0.001	0.000	0.000	0.000	0.000
428	A	428	GLU	-1	-0.934	-0.971	52.384	0.033	0.033	0.000	0.000	0.000	0.000
429	A	429	MET	0	-0.031	-0.008	45.246	-0.001	-0.001	0.000	0.000	0.000	0.000
430	A	430	THR	0	-0.020	-0.051	47.844	-0.001	-0.001	0.000	0.000	0.000	0.000
431	A	431	ALA	0	-0.057	-0.022	49.204	-0.001	-0.001	0.000	0.000	0.000	0.000
432	A	432	ALA	0	-0.022	-0.006	49.849	-0.002	-0.002	0.000	0.000	0.000	0.000
433	A	433	LEU	0	-0.065	-0.027	44.319	-0.002	-0.002	0.000	0.000	0.000	0.000
434	A	434	ASP	-1	-0.817	-0.881	47.458	0.023	0.023	0.000	0.000	0.000	0.000
435	A	435	ARG	1	0.856	0.904	41.747	-0.052	-0.052	0.000	0.000	0.000	0.000
436	A	436	LYS	1	0.831	0.914	47.708	-0.024	-0.024	0.000	0.000	0.000	0.000
437	A	437	SER	0	0.001	-0.014	50.128	-0.001	-0.001	0.000	0.000	0.000	0.000
438	A	438	GLY	0	0.017	0.007	46.043	-0.001	-0.001	0.000	0.000	0.000	0.000
439	A	439	ASP	-1	-0.786	-0.878	45.269	0.009	0.009	0.000	0.000	0.000	0.000
440	A	440	TYR	0	-0.016	-0.019	42.896	0.003	0.003	0.000	0.000	0.000	0.000
441	A	441	ASN	0	0.060	0.016	46.715	-0.001	-0.001	0.000	0.000	0.000	0.000
442	A	442	GLN	0	0.011	-0.033	48.226	-0.002	-0.002	0.000	0.000	0.000	0.000
443	A	443	PHE	0	0.022	0.014	45.028	0.000	0.000	0.000	0.000	0.000	0.000
444	A	444	TRP	0	0.024	-0.002	41.313	0.002	0.002	0.000	0.000	0.000	0.000
445	A	445	HIS	0	0.017	0.044	44.054	0.000	0.000	0.000	0.000	0.000	0.000
446	A	446	ASP	-1	-0.837	-0.895	45.452	0.016	0.016	0.000	0.000	0.000	0.000
447	A	447	ARG	1	0.751	0.871	41.569	-0.034	-0.034	0.000	0.000	0.000	0.000
448	A	448	ASN	0	0.057	0.013	40.471	0.001	0.001	0.000	0.000	0.000	0.000
449	A	449	TYR	0	-0.009	-0.028	36.452	-0.001	-0.001	0.000	0.000	0.000	0.000
450	A	450	LEU	0	0.020	0.014	35.634	-0.004	-0.004	0.000	0.000	0.000	0.000
451	A	451	ILE	0	-0.068	-0.019	39.272	-0.005	-0.005	0.000	0.000	0.000	0.000
452	A	452	ASN	0	-0.003	-0.008	41.402	-0.003	-0.003	0.000	0.000	0.000	0.000
453	A	453	THR	0	0.036	0.013	37.044	0.003	0.003	0.000	0.000	0.000	0.000
454	A	454	ASP	-1	-0.820	-0.884	39.292	-0.019	-0.019	0.000	0.000	0.000	0.000
455	A	455	LYS	1	0.822	0.892	41.790	0.007	0.007	0.000	0.000	0.000	0.000
456	A	456	VAL	0	-0.016	0.008	35.175	0.003	0.003	0.000	0.000	0.000	0.000
457	A	457	LYS	1	0.810	0.888	38.235	0.020	0.020	0.000	0.000	0.000	0.000
458	A	458	ALA	0	0.030	0.046	33.927	-0.004	-0.004	0.000	0.000	0.000	0.000
459	A	459	ASP	-1	-0.751	-0.838	29.735	-0.058	-0.058	0.000	0.000	0.000	0.000
460	A	460	VAL	0	-0.033	-0.035	29.218	0.011	0.011	0.000	0.000	0.000	0.000
461	A	461	LEU	0	-0.026	0.001	23.933	-0.017	-0.017	0.000	0.000	0.000	0.000
462	A	462	ILE	0	-0.008	-0.012	25.151	0.017	0.017	0.000	0.000	0.000	0.000
463	A	463	VAL	0	0.024	0.018	19.727	-0.020	-0.020	0.000	0.000	0.000	0.000
464	A	464	HIS	0	-0.028	-0.040	21.489	0.015	0.015	0.000	0.000	0.000	0.000
465	A	465	GLY	0	0.014	0.036	19.977	-0.021	-0.021	0.000	0.000	0.000	0.000
466	A	466	LEU	0	-0.030	-0.045	19.495	0.000	0.000	0.000	0.000	0.000	0.000
467	A	467	GLN	0	-0.066	-0.034	17.647	-0.012	-0.012	0.000	0.000	0.000	0.000
468	A	468	ASP	-1	-0.791	-0.887	21.885	0.129	0.129	0.000	0.000	0.000	0.000
469	A	469	TRP	0	0.013	-0.012	24.101	-0.017	-0.017	0.000	0.000	0.000	0.000
470	A	470	ASN	0	-0.012	0.005	27.160	-0.008	-0.008	0.000	0.000	0.000	0.000
471	A	471	VAL	0	-0.022	-0.013	27.889	-0.007	-0.007	0.000	0.000	0.000	0.000
472	A	472	THR	0	0.009	-0.008	27.710	0.000	0.000	0.000	0.000	0.000	0.000
473	A	473	PRO	0	0.061	0.025	25.450	-0.002	-0.002	0.000	0.000	0.000	0.000
474	A	474	GLU	-1	-0.792	-0.853	27.674	-0.001	-0.001	0.000	0.000	0.000	0.000
475	A	475	GLN	0	0.006	0.034	30.282	-0.008	-0.008	0.000	0.000	0.000	0.000
476	A	476	ALA	0	0.059	0.048	27.188	-0.002	-0.002	0.000	0.000	0.000	0.000
477	A	477	TYR	0	-0.015	-0.013	29.167	-0.006	-0.006	0.000	0.000	0.000	0.000
478	A	478	ASN	0	0.001	-0.018	30.210	-0.011	-0.011	0.000	0.000	0.000	0.000
479	A	479	PHE	0	0.042	0.007	31.781	-0.001	-0.001	0.000	0.000	0.000	0.000
480	A	480	TRP	0	-0.049	-0.030	26.896	0.001	0.001	0.000	0.000	0.000	0.000
481	A	481	LYS	1	0.924	0.953	31.471	0.051	0.051	0.000	0.000	0.000	0.000
482	A	482	ALA	0	-0.010	0.014	34.306	-0.001	-0.001	0.000	0.000	0.000	0.000
483	A	483	LEU	0	-0.055	-0.010	32.051	0.003	0.003	0.000	0.000	0.000	0.000
484	A	484	PRO	0	-0.011	-0.005	35.977	-0.005	-0.005	0.000	0.000	0.000	0.000
485	A	485	GLU	-1	-0.878	-0.947	35.865	-0.093	-0.093	0.000	0.000	0.000	0.000
486	A	486	GLY	0	-0.049	-0.028	35.168	0.004	0.004	0.000	0.000	0.000	0.000
487	A	487	HIS	0	-0.083	-0.029	33.054	-0.002	-0.002	0.000	0.000	0.000	0.000
488	A	488	ALA	0	0.000	0.008	30.670	-0.009	-0.009	0.000	0.000	0.000	0.000
489	A	489	LYS	1	0.893	0.944	28.929	0.093	0.093	0.000	0.000	0.000	0.000
490	A	490	HIS	1	0.850	0.913	23.477	0.117	0.117	0.000	0.000	0.000	0.000
491	A	491	ALA	0	-0.004	0.014	23.387	0.024	0.024	0.000	0.000	0.000	0.000
492	A	492	PHE	0	0.023	0.012	17.265	-0.028	-0.028	0.000	0.000	0.000	0.000
493	A	493	LEU	0	-0.008	-0.009	19.167	0.038	0.038	0.000	0.000	0.000	0.000
494	A	494	HIS	0	0.071	0.039	15.568	-0.051	-0.051	0.000	0.000	0.000	0.000
495	A	495	ARG	1	0.812	0.885	14.623	0.177	0.177	0.000	0.000	0.000	0.000
496	A	496	GLY	0	0.057	0.037	16.671	0.036	0.036	0.000	0.000	0.000	0.000
497	A	497	ALA	0	0.031	0.005	17.595	-0.035	-0.035	0.000	0.000	0.000	0.000
498	A	498	HIS	0	-0.041	-0.016	21.063	0.003	0.003	0.000	0.000	0.000	0.000
499	A	499	ILE	0	-0.077	-0.042	16.395	0.023	0.023	0.000	0.000	0.000	0.000
500	A	500	TYR	0	0.019	0.010	19.148	-0.033	-0.033	0.000	0.000	0.000	0.000
501	A	501	MET	0	0.009	0.001	14.381	0.018	0.018	0.000	0.000	0.000	0.000
502	A	502	ASN	0	-0.021	-0.013	14.572	0.003	0.003	0.000	0.000	0.000	0.000
503	A	503	SER	0	0.006	-0.001	13.795	-0.031	-0.031	0.000	0.000	0.000	0.000
504	A	504	TRP	0	-0.012	-0.003	9.988	0.154	0.154	0.000	0.000	0.000	0.000
505	A	505	GLN	0	0.074	0.043	3.190	-3.575	-2.078	0.493	-0.634	-1.355	-0.002
506	A	506	SER	0	-0.064	-0.050	5.976	-0.286	-0.286	0.000	0.000	0.000	0.000
507	A	507	ILE	0	-0.010	0.001	6.896	-0.310	-0.310	0.000	0.000	0.000	0.000
508	A	508	ASP	-1	-0.683	-0.801	10.351	-0.097	-0.097	0.000	0.000	0.000	0.000
509	A	509	PHE	0	0.017	0.009	12.648	-0.014	-0.014	0.000	0.000	0.000	0.000
510	A	510	SER	0	0.043	0.006	15.448	-0.030	-0.030	0.000	0.000	0.000	0.000
511	A	511	GLU	-1	-0.716	-0.832	14.023	0.209	0.209	0.000	0.000	0.000	0.000
512	A	512	THR	0	-0.006	-0.023	16.086	-0.046	-0.046	0.000	0.000	0.000	0.000
513	A	513	ILE	0	-0.045	-0.026	18.668	-0.008	-0.008	0.000	0.000	0.000	0.000
514	A	514	ASN	0	-0.055	-0.024	20.485	-0.021	-0.021	0.000	0.000	0.000	0.000
515	A	515	ALA	0	0.053	0.028	21.541	-0.002	-0.002	0.000	0.000	0.000	0.000
516	A	516	TYR	0	-0.051	-0.060	23.154	-0.007	-0.007	0.000	0.000	0.000	0.000
517	A	517	PHE	0	-0.001	-0.022	24.915	0.003	0.003	0.000	0.000	0.000	0.000
518	A	518	VAL	0	0.004	0.002	25.674	0.004	0.004	0.000	0.000	0.000	0.000
519	A	519	ALA	0	-0.018	0.012	27.901	0.001	0.001	0.000	0.000	0.000	0.000
520	A	520	LYS	1	0.887	0.939	29.489	0.045	0.045	0.000	0.000	0.000	0.000
521	A	521	LEU	0	-0.047	-0.037	29.628	0.004	0.004	0.000	0.000	0.000	0.000
522	A	522	LEU	0	-0.041	-0.035	30.460	0.006	0.006	0.000	0.000	0.000	0.000
523	A	523	ASP	-1	-0.913	-0.934	33.491	-0.017	-0.017	0.000	0.000	0.000	0.000
524	A	524	ARG	1	0.858	0.941	29.004	0.034	0.034	0.000	0.000	0.000	0.000
525	A	525	ASP	-1	-0.893	-0.943	31.879	-0.066	-0.066	0.000	0.000	0.000	0.000
526	A	526	LEU	0	-0.066	-0.033	25.906	0.001	0.001	0.000	0.000	0.000	0.000
527	A	527	ASN	0	-0.027	-0.026	26.632	-0.008	-0.008	0.000	0.000	0.000	0.000
528	A	528	LEU	0	-0.024	0.000	20.231	-0.018	-0.018	0.000	0.000	0.000	0.000
529	A	529	ASN	0	-0.023	-0.012	23.361	0.012	0.012	0.000	0.000	0.000	0.000
530	A	530	LEU	0	0.017	0.013	19.727	-0.028	-0.028	0.000	0.000	0.000	0.000
531	A	531	PRO	0	0.033	0.012	20.020	0.017	0.017	0.000	0.000	0.000	0.000
532	A	532	PRO	0	0.001	0.006	23.193	0.017	0.017	0.000	0.000	0.000	0.000
533	A	533	VAL	0	0.015	0.003	21.334	0.024	0.024	0.000	0.000	0.000	0.000
534	A	534	ILE	0	-0.008	0.027	16.167	-0.045	-0.045	0.000	0.000	0.000	0.000
535	A	535	LEU	0	-0.001	-0.009	17.250	0.052	0.052	0.000	0.000	0.000	0.000
536	A	536	GLN	0	0.090	0.064	10.561	-0.027	-0.027	0.000	0.000	0.000	0.000
537	A	537	GLU	-1	-0.815	-0.901	12.642	-0.621	-0.621	0.000	0.000	0.000	0.000
538	A	538	ASN	0	0.027	0.019	12.994	-0.006	-0.006	0.000	0.000	0.000	0.000
539	A	539	SER	0	-0.053	-0.045	13.928	-0.056	-0.056	0.000	0.000	0.000	0.000
540	A	540	LYS	1	0.824	0.906	10.207	0.681	0.681	0.000	0.000	0.000	0.000
541	A	541	ASP	-1	-0.895	-0.956	4.346	-0.240	-0.029	-0.001	-0.016	-0.194	0.000
542	A	542	GLN	0	-0.045	-0.033	2.846	-3.947	-1.961	0.556	-1.052	-1.490	-0.010
543	A	543	VAL	0	-0.011	0.010	6.616	-0.441	-0.441	0.000	0.000	0.000	0.000
544	A	544	TRP	0	-0.027	-0.021	9.268	0.320	0.320	0.000	0.000	0.000	0.000
545	A	545	THR	0	-0.013	-0.010	12.364	-0.103	-0.103	0.000	0.000	0.000	0.000
546	A	546	MET	0	0.005	0.003	15.595	0.054	0.054	0.000	0.000	0.000	0.000
547	A	547	MET	0	-0.028	-0.013	19.201	0.003	0.003	0.000	0.000	0.000	0.000
548	A	548	ASN	0	-0.002	-0.018	22.442	-0.001	-0.001	0.000	0.000	0.000	0.000
549	A	549	ASP	-1	-0.771	-0.884	25.945	-0.106	-0.106	0.000	0.000	0.000	0.000
550	A	550	PHE	0	-0.041	-0.009	25.963	-0.012	-0.012	0.000	0.000	0.000	0.000
551	A	551	GLY	0	-0.004	-0.023	27.195	0.016	0.016	0.000	0.000	0.000	0.000
552	A	552	ALA	0	-0.049	-0.008	28.796	-0.002	-0.002	0.000	0.000	0.000	0.000
553	A	553	ASN	0	0.024	-0.004	30.664	0.016	0.016	0.000	0.000	0.000	0.000
554	A	554	THR	0	-0.073	-0.030	32.037	0.004	0.004	0.000	0.000	0.000	0.000
555	A	555	GLN	0	0.057	0.023	32.728	0.002	0.002	0.000	0.000	0.000	0.000
556	A	556	ILE	0	-0.032	0.008	31.229	0.002	0.002	0.000	0.000	0.000	0.000
557	A	557	LYS	1	0.896	0.943	34.835	0.076	0.076	0.000	0.000	0.000	0.000
558	A	558	LEU	0	0.013	0.012	32.139	-0.003	-0.003	0.000	0.000	0.000	0.000
559	A	559	PRO	0	-0.052	-0.018	36.577	0.005	0.005	0.000	0.000	0.000	0.000
560	A	560	LEU	0	0.067	0.026	36.772	-0.002	-0.002	0.000	0.000	0.000	0.000
561	A	561	GLY	0	-0.011	0.011	39.482	0.003	0.003	0.000	0.000	0.000	0.000
562	A	562	LYS	1	0.881	0.923	35.726	0.048	0.048	0.000	0.000	0.000	0.000
563	A	563	THR	0	-0.044	-0.028	42.124	-0.001	-0.001	0.000	0.000	0.000	0.000
564	A	564	ALA	0	0.013	-0.001	45.878	0.000	0.000	0.000	0.000	0.000	0.000
565	A	565	VAL	0	-0.023	-0.007	48.856	0.001	0.001	0.000	0.000	0.000	0.000
566	A	566	SER	0	-0.047	-0.012	44.765	0.001	0.001	0.000	0.000	0.000	0.000
567	A	567	PHE	0	0.025	0.011	46.977	-0.001	-0.001	0.000	0.000	0.000	0.000
568	A	568	ALA	0	0.006	0.006	43.718	0.001	0.001	0.000	0.000	0.000	0.000
569	A	569	GLN	0	-0.004	-0.002	45.778	0.001	0.001	0.000	0.000	0.000	0.000
570	A	570	PHE	0	-0.028	0.005	43.206	0.000	0.000	0.000	0.000	0.000	0.000
571	A	571	ASP	-1	-0.773	-0.870	45.875	0.016	0.016	0.000	0.000	0.000	0.000
572	A	572	ASN	0	-0.041	0.002	45.564	0.001	0.001	0.000	0.000	0.000	0.000
573	A	573	ASN	0	-0.068	-0.038	46.333	0.002	0.002	0.000	0.000	0.000	0.000
574	A	574	TYR	0	0.051	0.015	41.337	0.000	0.000	0.000	0.000	0.000	0.000
575	A	575	ASP	-1	-0.809	-0.893	46.934	0.045	0.045	0.000	0.000	0.000	0.000
576	A	576	ASP	-1	-0.831	-0.939	47.726	0.045	0.045	0.000	0.000	0.000	0.000
577	A	577	GLU	-1	-0.959	-0.969	46.202	0.065	0.065	0.000	0.000	0.000	0.000
578	A	578	THR	0	-0.036	-0.043	42.370	0.007	0.007	0.000	0.000	0.000	0.000
579	A	579	PHE	0	-0.001	0.010	43.106	0.004	0.004	0.000	0.000	0.000	0.000
580	A	580	LYS	1	0.891	0.935	43.985	-0.048	-0.048	0.000	0.000	0.000	0.000
581	A	581	LYS	1	0.861	0.939	40.331	-0.058	-0.058	0.000	0.000	0.000	0.000
582	A	582	TYR	0	-0.042	-0.055	38.593	0.005	0.005	0.000	0.000	0.000	0.000
583	A	583	SER	0	-0.001	-0.006	38.972	0.002	0.002	0.000	0.000	0.000	0.000
584	A	584	LYS	1	0.879	0.963	38.070	-0.098	-0.098	0.000	0.000	0.000	0.000
585	A	585	ASP	-1	-0.874	-0.950	34.078	0.128	0.128	0.000	0.000	0.000	0.000
586	A	586	PHE	0	0.084	0.050	30.727	-0.003	-0.003	0.000	0.000	0.000	0.000
587	A	587	ASN	0	-0.047	-0.028	30.066	-0.002	-0.002	0.000	0.000	0.000	0.000
588	A	588	VAL	0	-0.027	-0.014	32.119	-0.001	-0.001	0.000	0.000	0.000	0.000
589	A	589	PHE	0	0.001	0.015	34.512	-0.004	-0.004	0.000	0.000	0.000	0.000
590	A	590	LYS	1	0.867	0.923	28.582	-0.102	-0.102	0.000	0.000	0.000	0.000
591	A	591	LYS	1	0.816	0.898	29.187	-0.102	-0.102	0.000	0.000	0.000	0.000
592	A	592	ASP	-1	-0.774	-0.870	31.808	0.062	0.062	0.000	0.000	0.000	0.000
593	A	593	LEU	0	-0.031	0.000	33.484	-0.006	-0.006	0.000	0.000	0.000	0.000
594	A	594	PHE	0	0.022	0.005	27.700	-0.006	-0.006	0.000	0.000	0.000	0.000
595	A	595	GLU	-1	-0.832	-0.881	29.540	0.073	0.073	0.000	0.000	0.000	0.000
596	A	596	ASN	0	-0.066	-0.021	32.921	-0.006	-0.006	0.000	0.000	0.000	0.000
597	A	597	LYS	1	0.781	0.884	36.235	-0.064	-0.064	0.000	0.000	0.000	0.000
598	A	598	ALA	0	-0.039	-0.009	38.385	0.004	0.004	0.000	0.000	0.000	0.000
599	A	599	ASN	0	-0.044	-0.029	40.024	-0.003	-0.003	0.000	0.000	0.000	0.000
600	A	600	GLU	-1	-0.826	-0.933	36.376	0.027	0.027	0.000	0.000	0.000	0.000
601	A	601	ALA	0	-0.007	-0.001	39.842	-0.002	-0.002	0.000	0.000	0.000	0.000
602	A	602	VAL	0	0.010	0.010	34.642	-0.002	-0.002	0.000	0.000	0.000	0.000
603	A	603	ILE	0	-0.046	-0.027	35.816	-0.003	-0.003	0.000	0.000	0.000	0.000
604	A	604	ASP	-1	-0.834	-0.909	32.003	-0.021	-0.021	0.000	0.000	0.000	0.000
605	A	605	LEU	0	-0.043	-0.027	32.040	-0.004	-0.004	0.000	0.000	0.000	0.000
606	A	606	GLU	-1	-0.874	-0.940	30.729	-0.066	-0.066	0.000	0.000	0.000	0.000
607	A	607	LEU	0	-0.009	-0.003	25.979	0.001	0.001	0.000	0.000	0.000	0.000
608	A	608	PRO	0	-0.018	-0.001	29.858	-0.006	-0.006	0.000	0.000	0.000	0.000
609	A	609	SER	0	0.007	0.000	28.475	-0.003	-0.003	0.000	0.000	0.000	0.000
610	A	610	MET	0	-0.069	-0.026	21.088	0.003	0.003	0.000	0.000	0.000	0.000
611	A	611	LEU	0	-0.019	-0.010	24.333	0.004	0.004	0.000	0.000	0.000	0.000
612	A	612	THR	0	0.042	0.014	21.640	-0.012	-0.012	0.000	0.000	0.000	0.000
613	A	613	ILE	0	0.022	0.028	23.955	0.006	0.006	0.000	0.000	0.000	0.000
614	A	614	ASN	0	-0.007	-0.021	24.499	0.001	0.001	0.000	0.000	0.000	0.000
615	A	615	GLY	0	0.071	0.037	26.544	0.003	0.003	0.000	0.000	0.000	0.000
616	A	616	PRO	0	-0.012	0.007	28.949	-0.001	-0.001	0.000	0.000	0.000	0.000
617	A	617	VAL	0	-0.029	-0.008	29.733	-0.006	-0.006	0.000	0.000	0.000	0.000
618	A	618	GLU	-1	-0.830	-0.931	32.482	-0.050	-0.050	0.000	0.000	0.000	0.000
619	A	619	LEU	0	-0.029	-0.021	34.720	-0.005	-0.005	0.000	0.000	0.000	0.000
620	A	620	GLU	-1	-0.854	-0.903	38.273	-0.040	-0.040	0.000	0.000	0.000	0.000
621	A	621	LEU	0	0.000	-0.012	40.003	-0.001	-0.001	0.000	0.000	0.000	0.000
622	A	622	ARG	1	0.903	0.954	43.623	0.022	0.022	0.000	0.000	0.000	0.000
623	A	623	LEU	0	-0.020	-0.019	44.976	0.000	0.000	0.000	0.000	0.000	0.000
624	A	624	LYS	1	0.879	0.966	48.262	0.003	0.003	0.000	0.000	0.000	0.000
625	A	625	LEU	0	0.037	0.011	49.042	0.001	0.001	0.000	0.000	0.000	0.000
626	A	626	ASN	0	0.016	0.027	51.898	-0.001	-0.001	0.000	0.000	0.000	0.000
627	A	627	ASP	-1	-0.779	-0.897	52.943	0.016	0.016	0.000	0.000	0.000	0.000
628	A	628	THR	0	-0.095	-0.067	54.599	-0.002	-0.002	0.000	0.000	0.000	0.000
629	A	629	LYS	1	0.857	0.925	52.020	-0.021	-0.021	0.000	0.000	0.000	0.000
630	A	630	GLY	0	0.014	-0.009	48.499	0.001	0.001	0.000	0.000	0.000	0.000
631	A	631	PHE	0	-0.014	0.003	41.683	-0.002	-0.002	0.000	0.000	0.000	0.000
632	A	632	LEU	0	-0.017	0.008	40.793	0.001	0.001	0.000	0.000	0.000	0.000
633	A	633	SER	0	-0.012	-0.025	37.395	0.000	0.000	0.000	0.000	0.000	0.000
634	A	634	ALA	0	0.001	-0.006	35.578	-0.003	-0.003	0.000	0.000	0.000	0.000
635	A	635	GLN	0	-0.006	-0.018	30.659	0.004	0.004	0.000	0.000	0.000	0.000
636	A	636	ILE	0	0.012	0.013	28.349	-0.004	-0.004	0.000	0.000	0.000	0.000
637	A	637	LEU	0	0.048	0.016	26.151	0.000	0.000	0.000	0.000	0.000	0.000
638	A	638	ASP	-1	-0.790	-0.824	20.792	-0.106	-0.106	0.000	0.000	0.000	0.000
639	A	639	PHE	0	0.008	-0.005	23.701	0.017	0.017	0.000	0.000	0.000	0.000
640	A	640	GLY	0	0.041	0.024	24.665	-0.017	-0.017	0.000	0.000	0.000	0.000
641	A	641	GLN	0	-0.041	-0.030	21.258	0.005	0.005	0.000	0.000	0.000	0.000
642	A	642	LYS	1	0.806	0.892	17.223	0.109	0.109	0.000	0.000	0.000	0.000
643	A	643	LYS	1	0.858	0.922	12.373	-0.023	-0.023	0.000	0.000	0.000	0.000
644	A	644	ARG	1	0.766	0.846	14.771	-0.063	-0.063	0.000	0.000	0.000	0.000
645	A	645	LEU	0	0.012	0.019	9.882	0.073	0.073	0.000	0.000	0.000	0.000
646	A	646	GLU	-1	-0.831	-0.913	13.734	0.457	0.457	0.000	0.000	0.000	0.000
647	A	647	ASP	-1	-0.796	-0.904	15.458	0.218	0.218	0.000	0.000	0.000	0.000
648	A	648	LYS	1	0.782	0.875	16.569	-0.286	-0.286	0.000	0.000	0.000	0.000
649	A	649	VAL	0	-0.015	0.007	12.001	0.027	0.027	0.000	0.000	0.000	0.000
650	A	650	ARG	1	0.890	0.943	10.407	-0.969	-0.969	0.000	0.000	0.000	0.000
651	A	651	VAL	0	-0.005	-0.012	10.530	0.087	0.087	0.000	0.000	0.000	0.000
652	A	652	LYS	1	0.809	0.922	2.966	-4.010	-3.519	0.055	-0.100	-0.446	0.001
653	A	653	ASP	-1	-0.845	-0.925	7.438	3.335	3.335	0.000	0.000	0.000	0.000
654	A	654	PHE	0	-0.074	-0.050	10.360	-0.224	-0.224	0.000	0.000	0.000	0.000
655	A	655	LYS	1	0.806	0.862	14.109	-0.679	-0.679	0.000	0.000	0.000	0.000
656	A	656	VAL	0	0.048	0.043	10.388	-0.067	-0.067	0.000	0.000	0.000	0.000
657	A	657	LEU	0	-0.031	0.009	12.405	-0.069	-0.069	0.000	0.000	0.000	0.000
658	A	658	ASP	-1	-0.691	-0.847	15.301	0.314	0.314	0.000	0.000	0.000	0.000
659	A	659	ARG	1	0.792	0.889	16.880	-0.477	-0.477	0.000	0.000	0.000	0.000
660	A	660	GLY	0	-0.030	-0.033	21.189	-0.050	-0.050	0.000	0.000	0.000	0.000
661	A	661	ARG	1	0.864	0.954	22.262	-0.160	-0.160	0.000	0.000	0.000	0.000
662	A	662	ASN	0	-0.075	-0.047	22.390	0.010	0.010	0.000	0.000	0.000	0.000
663	A	663	PHE	0	-0.063	-0.032	22.851	-0.025	-0.025	0.000	0.000	0.000	0.000
664	A	664	MET	0	-0.038	-0.026	22.359	0.020	0.020	0.000	0.000	0.000	0.000
665	A	665	LEU	0	0.021	0.019	18.640	0.013	0.013	0.000	0.000	0.000	0.000
666	A	666	ASP	-1	-0.838	-0.910	17.223	0.536	0.536	0.000	0.000	0.000	0.000
667	A	667	ASP	-1	-0.828	-0.892	14.160	0.871	0.871	0.000	0.000	0.000	0.000
668	A	668	LEU	0	0.012	0.042	7.038	-0.121	-0.121	0.000	0.000	0.000	0.000
669	A	669	VAL	0	-0.026	-0.033	10.232	0.190	0.190	0.000	0.000	0.000	0.000
670	A	670	GLU	-1	-0.726	-0.860	6.338	0.419	0.419	0.000	0.000	0.000	0.000
671	A	671	LEU	0	-0.005	0.011	9.272	0.077	0.077	0.000	0.000	0.000	0.000
672	A	672	PRO	0	-0.023	0.011	9.303	0.016	0.016	0.000	0.000	0.000	0.000
673	A	673	LEU	0	0.019	0.009	9.298	-0.162	-0.162	0.000	0.000	0.000	0.000
674	A	674	VAL	0	-0.001	-0.011	10.930	0.104	0.104	0.000	0.000	0.000	0.000
675	A	675	GLU	-1	-0.879	-0.925	14.063	-0.008	-0.008	0.000	0.000	0.000	0.000
676	A	676	SER	0	0.019	0.022	17.004	0.021	0.021	0.000	0.000	0.000	0.000
677	A	677	PRO	0	0.039	0.011	20.012	-0.028	-0.028	0.000	0.000	0.000	0.000
678	A	678	TYR	0	-0.069	-0.066	22.666	-0.018	-0.018	0.000	0.000	0.000	0.000
679	A	679	GLN	0	-0.022	-0.015	17.583	-0.010	-0.010	0.000	0.000	0.000	0.000
680	A	680	LEU	0	-0.018	0.006	22.707	-0.020	-0.020	0.000	0.000	0.000	0.000
681	A	681	VAL	0	-0.042	-0.018	23.239	-0.003	-0.003	0.000	0.000	0.000	0.000
682	A	682	THR	0	-0.021	-0.049	24.847	0.001	0.001	0.000	0.000	0.000	0.000
683	A	683	LYS	1	0.887	0.952	27.960	-0.051	-0.051	0.000	0.000	0.000	0.000
684	A	684	GLY	0	0.036	0.017	31.385	-0.004	-0.004	0.000	0.000	0.000	0.000
685	A	685	PHE	0	-0.035	-0.014	34.080	0.003	0.003	0.000	0.000	0.000	0.000
686	A	686	THR	0	0.031	0.009	38.264	-0.002	-0.002	0.000	0.000	0.000	0.000
687	A	687	ASN	0	0.029	0.026	41.716	0.000	0.000	0.000	0.000	0.000	0.000
688	A	688	LEU	0	0.004	0.005	45.303	-0.003	-0.003	0.000	0.000	0.000	0.000
689	A	689	GLN	0	-0.015	0.000	47.376	0.000	0.000	0.000	0.000	0.000	0.000
690	A	690	ASN	0	-0.040	-0.033	46.103	0.002	0.002	0.000	0.000	0.000	0.000
691	A	691	GLN	0	-0.011	0.012	46.120	-0.003	-0.003	0.000	0.000	0.000	0.000
692	A	692	SER	0	-0.013	-0.018	45.376	-0.003	-0.003	0.000	0.000	0.000	0.000
693	A	693	LEU	0	0.002	-0.008	41.588	0.003	0.003	0.000	0.000	0.000	0.000
694	A	694	LEU	0	0.016	0.009	45.988	0.002	0.002	0.000	0.000	0.000	0.000
695	A	695	THR	0	-0.009	0.024	49.397	0.000	0.000	0.000	0.000	0.000	0.000
696	A	696	VAL	0	0.020	0.025	50.445	-0.001	-0.001	0.000	0.000	0.000	0.000
697	A	697	SER	0	0.007	-0.006	52.269	-0.001	-0.001	0.000	0.000	0.000	0.000
698	A	698	ASP	-1	-0.841	-0.922	53.783	0.002	0.002	0.000	0.000	0.000	0.000
699	A	699	LEU	0	-0.037	-0.015	50.908	-0.002	-0.002	0.000	0.000	0.000	0.000
700	A	700	LYS	1	0.842	0.913	54.791	0.003	0.003	0.000	0.000	0.000	0.000
701	A	701	ALA	0	0.049	0.033	55.493	-0.001	-0.001	0.000	0.000	0.000	0.000
702	A	702	ASP	-1	-0.931	-0.994	55.731	0.000	0.000	0.000	0.000	0.000	0.000
703	A	703	GLU	-1	-0.970	-0.976	55.873	-0.009	-0.009	0.000	0.000	0.000	0.000
704	A	704	TRP	0	-0.070	-0.045	49.313	0.000	0.000	0.000	0.000	0.000	0.000
705	A	705	PHE	0	0.041	0.023	48.144	-0.001	-0.001	0.000	0.000	0.000	0.000
706	A	706	THR	0	-0.018	-0.027	47.261	-0.001	-0.001	0.000	0.000	0.000	0.000
707	A	707	ILE	0	-0.007	0.008	43.302	0.001	0.001	0.000	0.000	0.000	0.000
708	A	708	LYS	1	0.836	0.894	41.050	0.042	0.042	0.000	0.000	0.000	0.000
709	A	709	PHE	0	0.006	0.015	37.463	0.001	0.001	0.000	0.000	0.000	0.000
710	A	710	GLU	-1	-0.903	-0.961	35.094	-0.046	-0.046	0.000	0.000	0.000	0.000
711	A	711	LEU	0	-0.066	-0.018	31.961	0.007	0.007	0.000	0.000	0.000	0.000
712	A	712	GLN	0	0.013	-0.017	29.123	-0.009	-0.009	0.000	0.000	0.000	0.000
713	A	713	PRO	0	-0.032	0.014	28.752	-0.009	-0.009	0.000	0.000	0.000	0.000
714	A	714	THR	0	0.003	-0.011	23.591	0.000	0.000	0.000	0.000	0.000	0.000
715	A	715	ILE	0	0.049	0.021	21.401	-0.012	-0.012	0.000	0.000	0.000	0.000
716	A	716	TYR	0	-0.045	-0.032	19.437	-0.008	-0.008	0.000	0.000	0.000	0.000
717	A	717	HIS	1	0.838	0.907	18.576	0.322	0.322	0.000	0.000	0.000	0.000
718	A	718	LEU	0	0.014	0.008	20.086	0.005	0.005	0.000	0.000	0.000	0.000
719	A	719	GLU	-1	-0.788	-0.898	19.632	-0.352	-0.352	0.000	0.000	0.000	0.000
720	A	720	LYS	1	0.888	0.927	21.750	0.292	0.292	0.000	0.000	0.000	0.000
721	A	721	ALA	0	-0.013	0.002	23.863	0.014	0.014	0.000	0.000	0.000	0.000
722	A	722	ASP	-1	-0.782	-0.870	21.660	-0.154	-0.154	0.000	0.000	0.000	0.000
723	A	723	LYS	1	0.896	0.934	24.861	0.090	0.090	0.000	0.000	0.000	0.000
724	A	724	LEU	0	-0.025	-0.002	26.113	0.003	0.003	0.000	0.000	0.000	0.000
725	A	725	ARG	1	0.855	0.936	28.778	-0.004	-0.004	0.000	0.000	0.000	0.000
726	A	726	VAL	0	-0.013	-0.018	30.796	0.003	0.003	0.000	0.000	0.000	0.000
727	A	727	ILE	0	0.012	0.013	31.712	0.002	0.002	0.000	0.000	0.000	0.000
728	A	728	LEU	0	-0.017	-0.011	35.170	0.000	0.000	0.000	0.000	0.000	0.000
729	A	729	TYR	0	0.018	-0.030	35.455	0.001	0.001	0.000	0.000	0.000	0.000
730	A	730	SER	0	0.067	0.014	40.391	-0.002	-0.002	0.000	0.000	0.000	0.000
731	A	731	THR	0	-0.030	0.010	40.719	0.000	0.000	0.000	0.000	0.000	0.000
732	A	732	ASP	-1	-0.675	-0.820	35.358	0.052	0.052	0.000	0.000	0.000	0.000
733	A	733	PHE	0	-0.053	-0.039	37.945	0.002	0.002	0.000	0.000	0.000	0.000
734	A	734	GLU	-1	-0.847	-0.923	30.876	0.097	0.097	0.000	0.000	0.000	0.000
735	A	735	HIS	0	-0.052	-0.008	32.059	0.003	0.003	0.000	0.000	0.000	0.000
736	A	736	THR	0	0.051	0.040	36.941	-0.002	-0.002	0.000	0.000	0.000	0.000
737	A	737	VAL	0	-0.021	-0.011	40.585	0.004	0.004	0.000	0.000	0.000	0.000
738	A	738	ARG	1	0.796	0.890	38.595	-0.071	-0.071	0.000	0.000	0.000	0.000
739	A	739	ASP	-1	-0.679	-0.820	44.878	0.028	0.028	0.000	0.000	0.000	0.000
740	A	740	ASN	0	-0.011	-0.013	47.533	-0.001	-0.001	0.000	0.000	0.000	0.000
741	A	741	ARG	1	0.773	0.870	48.822	-0.020	-0.020	0.000	0.000	0.000	0.000
742	A	742	LYS	1	0.900	0.934	50.865	-0.026	-0.026	0.000	0.000	0.000	0.000
743	A	743	VAL	0	-0.002	0.022	50.118	-0.001	-0.001	0.000	0.000	0.000	0.000
744	A	744	THR	0	-0.019	-0.028	49.766	0.001	0.001	0.000	0.000	0.000	0.000
745	A	745	TYR	0	-0.054	-0.043	45.567	-0.001	-0.001	0.000	0.000	0.000	0.000
746	A	746	GLU	-1	-0.884	-0.957	48.066	-0.005	-0.005	0.000	0.000	0.000	0.000
747	A	747	ILE	0	0.010	-0.013	42.620	-0.001	-0.001	0.000	0.000	0.000	0.000
748	A	748	ASP	-1	-0.768	-0.872	46.437	-0.025	-0.025	0.000	0.000	0.000	0.000
749	A	749	LEU	0	0.031	0.013	41.366	-0.003	-0.003	0.000	0.000	0.000	0.000
750	A	750	SER	0	-0.070	-0.035	43.385	-0.005	-0.005	0.000	0.000	0.000	0.000
751	A	751	GLN	0	-0.094	-0.047	45.666	-0.003	-0.003	0.000	0.000	0.000	0.000
752	A	752	SER	0	-0.025	-0.008	41.928	0.001	0.001	0.000	0.000	0.000	0.000
753	A	753	LYS	1	0.877	0.931	39.839	0.048	0.048	0.000	0.000	0.000	0.000
754	A	754	LEU	0	0.044	0.038	32.305	0.004	0.004	0.000	0.000	0.000	0.000
755	A	755	ILE	0	-0.061	-0.034	35.924	-0.009	-0.009	0.000	0.000	0.000	0.000
756	A	756	ILE	0	0.035	0.016	29.441	0.003	0.003	0.000	0.000	0.000	0.000
757	A	757	PRO	0	0.045	0.043	30.137	-0.009	-0.009	0.000	0.000	0.000	0.000
758	A	758	ILE	0	-0.035	-0.036	28.134	-0.006	-0.006	0.000	0.000	0.000	0.000
759	A	759	GLU	-1	-0.813	-0.905	24.281	-0.204	-0.204	0.000	0.000	0.000	0.000
760	A	760	SER	0	-0.027	-0.008	27.070	-0.008	-0.008	0.000	0.000	0.000	0.000
761	A	761	VAL	0	0.051	0.027	23.460	-0.005	-0.005	0.000	0.000	0.000	0.000
762	A	762	LYS	1	0.813	0.893	26.526	0.167	0.167	0.000	0.000	0.000	0.000
763	A	763	ASN	0	0.029	0.028	24.605	-0.036	-0.036	0.000	0.000	0.000	0.000

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