FMO DATABASE

FMODB ID: GYYJ1

Calculation Name: 5OQQ-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 5OQQ

Chain ID: A

ChEMBL ID:

UniProt ID: P38170

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:

Apendix: None

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	807
LigandResidueName
LigandFragmentNumber	0
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-19284385.977308
FMO2-HF: Nuclear repulsion	18960563.847774
FMO2-HF: Total energy	-323822.129534
FMO2-MP2: Total energy	-324767.871335

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:8:ASP)

Summations of interaction energy for fragment #1(A:8:ASP)

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.
-158.787	-168.682	43.876	-18.793	-15.187	0.185

Interaction energy analysis for fragmet #1(A:8:ASP)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : -1 / q_Mulliken : -0.723 / q_NPA : -0.841

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	10	ASN	0	0.028	0.008	1.820	-35.756	-35.151	15.631	-8.751	-7.485	0.084
4	A	11	THR	0	-0.007	-0.040	1.635	-51.083	-62.507	28.224	-9.738	-7.062	0.097
5	A	12	LYS	1	0.964	0.994	3.700	-48.757	-48.012	0.022	-0.296	-0.470	0.004
6	A	13	ILE	0	0.011	0.025	5.878	-8.556	-8.556	0.000	0.000	0.000	0.000
7	A	14	PHE	0	0.026	0.021	6.851	-6.288	-6.288	0.000	0.000	0.000	0.000
8	A	15	ASN	0	0.005	-0.011	7.595	-4.774	-4.774	0.000	0.000	0.000	0.000
9	A	16	SER	0	-0.053	-0.034	9.587	-3.710	-3.710	0.000	0.000	0.000	0.000
10	A	17	VAL	0	0.008	-0.002	11.410	-2.595	-2.595	0.000	0.000	0.000	0.000
11	A	18	ALA	0	0.022	0.005	12.355	-2.169	-2.169	0.000	0.000	0.000	0.000
12	A	19	GLU	-1	-0.861	-0.907	13.714	17.186	17.186	0.000	0.000	0.000	0.000
13	A	20	VAL	0	-0.016	-0.012	15.644	-1.564	-1.564	0.000	0.000	0.000	0.000
14	A	21	PHE	0	0.030	0.005	17.276	-1.180	-1.180	0.000	0.000	0.000	0.000
15	A	22	GLN	0	-0.034	-0.009	17.706	-1.740	-1.740	0.000	0.000	0.000	0.000
16	A	23	LYS	1	0.861	0.905	18.249	-17.107	-17.107	0.000	0.000	0.000	0.000
17	A	24	ALA	0	-0.030	-0.008	21.588	-0.800	-0.800	0.000	0.000	0.000	0.000
18	A	25	GLN	0	0.041	0.033	22.061	-0.964	-0.964	0.000	0.000	0.000	0.000
19	A	26	GLY	0	-0.006	0.014	24.903	-0.571	-0.571	0.000	0.000	0.000	0.000
20	A	27	SER	0	-0.011	-0.024	27.078	-0.594	-0.594	0.000	0.000	0.000	0.000
21	A	28	TYR	0	0.060	0.020	27.588	0.249	0.249	0.000	0.000	0.000	0.000
22	A	29	ALA	0	-0.008	0.008	29.577	0.035	0.035	0.000	0.000	0.000	0.000
23	A	30	GLY	0	0.034	0.014	26.415	-0.104	-0.104	0.000	0.000	0.000	0.000
24	A	31	HIS	0	0.002	-0.008	25.262	0.447	0.447	0.000	0.000	0.000	0.000
25	A	32	ARG	1	0.984	0.992	25.375	-9.935	-9.935	0.000	0.000	0.000	0.000
26	A	33	LYS	1	0.972	0.994	21.281	-13.910	-13.910	0.000	0.000	0.000	0.000
27	A	34	HIS	0	0.023	-0.001	21.386	0.890	0.890	0.000	0.000	0.000	0.000
28	A	35	ILE	0	0.027	0.020	20.739	0.823	0.823	0.000	0.000	0.000	0.000
29	A	36	ALA	0	-0.020	0.002	21.711	0.471	0.471	0.000	0.000	0.000	0.000
30	A	37	VAL	0	-0.011	-0.014	17.656	0.304	0.304	0.000	0.000	0.000	0.000
31	A	38	LEU	0	0.031	0.031	16.381	1.143	1.143	0.000	0.000	0.000	0.000
32	A	39	LYS	1	0.879	0.944	17.359	-12.112	-12.112	0.000	0.000	0.000	0.000
33	A	40	LYS	1	0.859	0.946	17.380	-14.830	-14.830	0.000	0.000	0.000	0.000
34	A	41	ILE	0	-0.022	-0.019	11.794	0.935	0.935	0.000	0.000	0.000	0.000
35	A	42	GLN	0	0.035	0.025	13.122	1.202	1.202	0.000	0.000	0.000	0.000
36	A	43	SER	0	0.017	-0.008	14.690	0.352	0.352	0.000	0.000	0.000	0.000
37	A	44	LYS	1	0.939	0.973	8.278	-33.930	-33.930	0.000	0.000	0.000	0.000
38	A	45	ALA	0	-0.087	-0.044	10.481	1.580	1.580	0.000	0.000	0.000	0.000
39	A	46	VAL	0	0.028	0.013	11.238	1.646	1.646	0.000	0.000	0.000	0.000
40	A	47	GLU	-1	-0.935	-0.945	13.947	20.240	20.240	0.000	0.000	0.000	0.000
41	A	48	GLN	0	-0.042	-0.032	8.160	3.004	3.004	0.000	0.000	0.000	0.000
42	A	49	GLY	0	0.032	0.021	10.058	2.174	2.174	0.000	0.000	0.000	0.000
43	A	50	TYR	0	-0.063	-0.048	4.456	5.875	6.054	-0.001	-0.008	-0.170	0.000
44	A	51	GLU	-1	-0.773	-0.885	9.609	19.079	19.079	0.000	0.000	0.000	0.000
45	A	52	ASP	-1	-0.838	-0.929	12.037	21.166	21.166	0.000	0.000	0.000	0.000
46	A	53	ALA	0	-0.050	-0.016	7.453	0.320	0.320	0.000	0.000	0.000	0.000
47	A	54	PHE	0	-0.036	-0.025	9.428	-0.124	-0.124	0.000	0.000	0.000	0.000
48	A	55	ASN	0	0.059	0.028	11.794	-0.942	-0.942	0.000	0.000	0.000	0.000
49	A	56	PHE	0	0.017	0.024	10.506	-1.387	-1.387	0.000	0.000	0.000	0.000
50	A	57	TRP	0	-0.040	-0.047	7.074	-4.412	-4.412	0.000	0.000	0.000	0.000
51	A	58	PHE	0	0.016	0.002	12.544	-1.467	-1.467	0.000	0.000	0.000	0.000
52	A	59	ASP	-1	-0.756	-0.882	15.722	16.198	16.198	0.000	0.000	0.000	0.000
53	A	60	LYS	1	0.885	0.947	13.223	-23.216	-23.216	0.000	0.000	0.000	0.000
54	A	61	LEU	0	-0.047	-0.012	13.779	-1.077	-1.077	0.000	0.000	0.000	0.000
55	A	62	VAL	0	0.040	0.025	17.299	-1.003	-1.003	0.000	0.000	0.000	0.000
56	A	63	THR	0	-0.083	-0.053	19.089	-0.863	-0.863	0.000	0.000	0.000	0.000
57	A	64	LYS	1	0.908	0.952	17.290	-17.881	-17.881	0.000	0.000	0.000	0.000
58	A	65	ILE	0	0.019	0.004	21.680	-0.528	-0.528	0.000	0.000	0.000	0.000
59	A	66	LEU	0	-0.008	0.014	24.338	-0.592	-0.592	0.000	0.000	0.000	0.000
60	A	67	PRO	0	0.016	-0.003	25.500	-0.479	-0.479	0.000	0.000	0.000	0.000
61	A	68	LEU	0	-0.024	0.012	26.074	-0.359	-0.359	0.000	0.000	0.000	0.000
62	A	69	LYS	1	0.958	0.986	29.755	-8.640	-8.640	0.000	0.000	0.000	0.000
63	A	70	LYS	1	0.952	0.971	33.190	-8.358	-8.358	0.000	0.000	0.000	0.000
64	A	71	ASN	0	0.009	-0.003	34.740	-0.050	-0.050	0.000	0.000	0.000	0.000
65	A	72	GLU	-1	-0.882	-0.930	29.233	10.808	10.808	0.000	0.000	0.000	0.000
66	A	73	ILE	0	0.048	0.010	31.420	0.233	0.233	0.000	0.000	0.000	0.000
67	A	74	ILE	0	0.027	0.016	25.770	0.139	0.139	0.000	0.000	0.000	0.000
68	A	75	GLY	0	0.062	0.025	26.984	0.441	0.441	0.000	0.000	0.000	0.000
69	A	76	ASP	-1	-0.790	-0.885	27.964	9.996	9.996	0.000	0.000	0.000	0.000
70	A	77	ARG	1	0.817	0.902	27.567	-10.744	-10.744	0.000	0.000	0.000	0.000
71	A	78	ILE	0	0.027	0.017	21.979	0.199	0.199	0.000	0.000	0.000	0.000
72	A	79	VAL	0	0.031	0.025	24.979	0.326	0.326	0.000	0.000	0.000	0.000
73	A	80	LYS	1	0.858	0.920	27.306	-9.798	-9.798	0.000	0.000	0.000	0.000
74	A	81	LEU	0	-0.034	0.001	20.914	-0.032	-0.032	0.000	0.000	0.000	0.000
75	A	82	VAL	0	0.016	-0.003	22.173	0.258	0.258	0.000	0.000	0.000	0.000
76	A	83	ALA	0	0.049	0.029	24.264	0.096	0.096	0.000	0.000	0.000	0.000
77	A	84	ALA	0	-0.044	-0.024	26.610	-0.146	-0.146	0.000	0.000	0.000	0.000
78	A	85	PHE	0	-0.042	-0.035	18.762	-0.094	-0.094	0.000	0.000	0.000	0.000
79	A	86	ILE	0	0.056	0.028	24.001	0.115	0.115	0.000	0.000	0.000	0.000
80	A	87	ALA	0	0.060	0.032	25.683	-0.214	-0.214	0.000	0.000	0.000	0.000
81	A	88	SER	0	-0.101	-0.046	25.488	-0.149	-0.149	0.000	0.000	0.000	0.000
82	A	89	LEU	0	-0.011	-0.019	21.299	-0.199	-0.199	0.000	0.000	0.000	0.000
83	A	90	GLU	-1	-0.767	-0.864	25.593	10.024	10.024	0.000	0.000	0.000	0.000
84	A	91	ARG	1	0.934	0.968	28.849	-10.273	-10.273	0.000	0.000	0.000	0.000
85	A	92	GLU	-1	-0.890	-0.950	26.259	11.332	11.332	0.000	0.000	0.000	0.000
86	A	93	LEU	0	0.020	0.021	26.501	-0.194	-0.194	0.000	0.000	0.000	0.000
87	A	94	ILE	0	-0.034	-0.018	30.179	-0.436	-0.436	0.000	0.000	0.000	0.000
88	A	95	LEU	0	-0.036	-0.021	32.384	-0.395	-0.395	0.000	0.000	0.000	0.000
89	A	96	ALA	0	0.048	0.047	31.445	-0.299	-0.299	0.000	0.000	0.000	0.000
90	A	97	LYS	1	0.979	0.993	33.525	-9.575	-9.575	0.000	0.000	0.000	0.000
91	A	98	LYS	1	0.902	0.939	35.838	-8.541	-8.541	0.000	0.000	0.000	0.000
92	A	99	GLN	0	-0.059	-0.036	36.612	-0.343	-0.343	0.000	0.000	0.000	0.000
93	A	100	ASN	0	-0.045	-0.012	37.367	0.102	0.102	0.000	0.000	0.000	0.000
94	A	101	TYR	0	-0.002	0.009	31.043	-0.237	-0.237	0.000	0.000	0.000	0.000
95	A	102	LYS	1	0.903	0.945	32.072	-8.740	-8.740	0.000	0.000	0.000	0.000
96	A	103	LEU	0	0.003	0.012	27.280	0.007	0.007	0.000	0.000	0.000	0.000
97	A	104	THR	0	-0.009	-0.015	25.680	-0.238	-0.238	0.000	0.000	0.000	0.000
98	A	105	ASN	0	-0.062	-0.033	20.838	-0.254	-0.254	0.000	0.000	0.000	0.000
99	A	106	ASP	-1	-0.800	-0.882	21.459	14.892	14.892	0.000	0.000	0.000	0.000
100	A	107	GLU	-1	-0.814	-0.917	22.701	13.204	13.204	0.000	0.000	0.000	0.000
101	A	108	GLU	-1	-0.884	-0.952	23.843	11.047	11.047	0.000	0.000	0.000	0.000
102	A	109	GLY	0	0.029	0.026	23.593	-0.001	-0.001	0.000	0.000	0.000	0.000
103	A	110	ILE	0	-0.032	-0.018	18.464	0.433	0.433	0.000	0.000	0.000	0.000
104	A	111	PHE	0	-0.037	-0.012	20.936	0.455	0.455	0.000	0.000	0.000	0.000
105	A	112	SER	0	0.014	-0.004	23.409	0.111	0.111	0.000	0.000	0.000	0.000
106	A	113	ARG	1	0.809	0.882	19.050	-15.669	-15.669	0.000	0.000	0.000	0.000
107	A	114	PHE	0	-0.029	-0.016	18.285	0.218	0.218	0.000	0.000	0.000	0.000
108	A	115	VAL	0	0.016	0.006	20.690	0.034	0.034	0.000	0.000	0.000	0.000
109	A	116	ASP	-1	-0.815	-0.889	24.134	12.426	12.426	0.000	0.000	0.000	0.000
110	A	117	GLN	0	-0.016	-0.033	18.197	-0.037	-0.037	0.000	0.000	0.000	0.000
111	A	118	PHE	0	-0.021	-0.013	20.669	-0.023	-0.023	0.000	0.000	0.000	0.000
112	A	119	ILE	0	0.005	-0.008	22.201	-0.240	-0.240	0.000	0.000	0.000	0.000
113	A	120	ARG	1	0.847	0.907	23.893	-12.178	-12.178	0.000	0.000	0.000	0.000
114	A	121	HIS	0	-0.020	0.010	20.295	-0.203	-0.203	0.000	0.000	0.000	0.000
115	A	122	VAL	0	-0.026	-0.017	22.810	-0.215	-0.215	0.000	0.000	0.000	0.000
116	A	123	LEU	0	0.018	-0.005	25.372	-0.431	-0.431	0.000	0.000	0.000	0.000
117	A	124	ARG	1	0.855	0.937	20.306	-15.263	-15.263	0.000	0.000	0.000	0.000
118	A	125	GLY	0	-0.020	-0.003	26.924	-0.155	-0.155	0.000	0.000	0.000	0.000
119	A	126	VAL	0	0.023	0.003	28.813	-0.302	-0.302	0.000	0.000	0.000	0.000
120	A	127	GLU	-1	-0.819	-0.889	31.835	8.559	8.559	0.000	0.000	0.000	0.000
121	A	128	SER	0	-0.021	0.008	30.400	-0.138	-0.138	0.000	0.000	0.000	0.000
122	A	129	PRO	0	0.065	0.029	31.906	-0.287	-0.287	0.000	0.000	0.000	0.000
123	A	130	ASP	-1	-0.816	-0.903	31.279	9.807	9.807	0.000	0.000	0.000	0.000
124	A	131	LYS	1	0.860	0.908	33.288	-7.992	-7.992	0.000	0.000	0.000	0.000
125	A	132	ASN	0	-0.077	-0.055	32.101	-0.244	-0.244	0.000	0.000	0.000	0.000
126	A	133	VAL	0	0.041	0.026	28.279	0.132	0.132	0.000	0.000	0.000	0.000
127	A	134	ARG	1	0.768	0.883	30.444	-8.853	-8.853	0.000	0.000	0.000	0.000
128	A	135	PHE	0	-0.033	-0.011	33.113	-0.151	-0.151	0.000	0.000	0.000	0.000
129	A	136	ARG	1	0.801	0.886	28.744	-10.427	-10.427	0.000	0.000	0.000	0.000
130	A	137	VAL	0	-0.017	0.001	27.991	0.179	0.179	0.000	0.000	0.000	0.000
131	A	138	LEU	0	0.039	0.014	29.957	0.076	0.076	0.000	0.000	0.000	0.000
132	A	139	GLN	0	-0.040	-0.011	31.535	0.033	0.033	0.000	0.000	0.000	0.000
133	A	140	LEU	0	-0.030	-0.027	25.647	0.036	0.036	0.000	0.000	0.000	0.000
134	A	141	LEU	0	0.033	0.012	28.989	0.023	0.023	0.000	0.000	0.000	0.000
135	A	142	ALA	0	0.049	0.006	31.118	-0.088	-0.088	0.000	0.000	0.000	0.000
136	A	143	VAL	0	-0.126	-0.060	30.002	-0.159	-0.159	0.000	0.000	0.000	0.000
137	A	144	ILE	0	0.015	-0.004	27.173	0.177	0.177	0.000	0.000	0.000	0.000
138	A	145	MET	0	-0.021	0.012	30.614	0.126	0.126	0.000	0.000	0.000	0.000
139	A	146	ASP	-1	-0.831	-0.898	33.262	8.850	8.850	0.000	0.000	0.000	0.000
140	A	147	ASN	0	-0.112	-0.069	30.232	-0.065	-0.065	0.000	0.000	0.000	0.000
141	A	148	ILE	0	-0.001	-0.002	28.861	0.482	0.482	0.000	0.000	0.000	0.000
142	A	149	GLY	0	0.013	0.015	29.746	0.205	0.205	0.000	0.000	0.000	0.000
143	A	150	GLU	-1	-0.990	-0.989	31.801	9.084	9.084	0.000	0.000	0.000	0.000
144	A	151	ILE	0	-0.016	-0.011	29.188	0.402	0.402	0.000	0.000	0.000	0.000
145	A	152	ASP	-1	-0.785	-0.864	29.304	10.354	10.354	0.000	0.000	0.000	0.000
146	A	153	GLU	-1	-0.831	-0.928	32.105	8.392	8.392	0.000	0.000	0.000	0.000
147	A	154	SER	0	-0.093	-0.062	30.671	0.030	0.030	0.000	0.000	0.000	0.000
148	A	155	LEU	0	-0.013	-0.006	27.403	-0.055	-0.055	0.000	0.000	0.000	0.000
149	A	156	PHE	0	0.035	0.019	31.102	-0.053	-0.053	0.000	0.000	0.000	0.000
150	A	157	ASN	0	-0.004	-0.019	34.409	-0.326	-0.326	0.000	0.000	0.000	0.000
151	A	158	LEU	0	-0.039	-0.009	29.563	-0.112	-0.112	0.000	0.000	0.000	0.000
152	A	159	LEU	0	-0.004	0.003	31.110	-0.045	-0.045	0.000	0.000	0.000	0.000
153	A	160	ILE	0	0.045	0.032	34.050	-0.122	-0.122	0.000	0.000	0.000	0.000
154	A	161	LEU	0	0.007	0.016	36.724	-0.191	-0.191	0.000	0.000	0.000	0.000
155	A	162	SER	0	-0.041	-0.040	33.644	-0.030	-0.030	0.000	0.000	0.000	0.000
156	A	163	LEU	0	-0.033	-0.029	35.380	-0.090	-0.090	0.000	0.000	0.000	0.000
157	A	164	ASN	0	0.020	-0.004	37.855	-0.085	-0.085	0.000	0.000	0.000	0.000
158	A	165	LYS	1	0.856	0.921	37.443	-8.809	-8.809	0.000	0.000	0.000	0.000
159	A	166	ARG	1	0.777	0.864	36.145	-8.776	-8.776	0.000	0.000	0.000	0.000
160	A	167	ILE	0	0.030	0.018	39.578	-0.035	-0.035	0.000	0.000	0.000	0.000
161	A	168	TYR	0	0.015	0.009	42.831	-0.168	-0.168	0.000	0.000	0.000	0.000
162	A	169	ASP	-1	-0.756	-0.837	38.701	8.501	8.501	0.000	0.000	0.000	0.000
163	A	170	ARG	1	1.000	1.001	41.671	-7.488	-7.488	0.000	0.000	0.000	0.000
164	A	171	GLU	-1	-0.855	-0.929	39.605	7.729	7.729	0.000	0.000	0.000	0.000
165	A	172	PRO	0	0.072	0.019	42.254	0.092	0.092	0.000	0.000	0.000	0.000
166	A	173	THR	0	-0.043	-0.021	38.808	-0.001	-0.001	0.000	0.000	0.000	0.000
167	A	174	VAL	0	0.002	-0.003	36.706	0.133	0.133	0.000	0.000	0.000	0.000
168	A	175	ARG	1	0.845	0.929	38.907	-7.066	-7.066	0.000	0.000	0.000	0.000
169	A	176	ILE	0	-0.010	0.002	41.054	-0.015	-0.015	0.000	0.000	0.000	0.000
170	A	177	GLN	0	-0.020	-0.011	35.198	-0.018	-0.018	0.000	0.000	0.000	0.000
171	A	178	ALA	0	0.040	0.014	38.082	0.144	0.144	0.000	0.000	0.000	0.000
172	A	179	VAL	0	0.002	0.003	39.340	-0.013	-0.013	0.000	0.000	0.000	0.000
173	A	180	PHE	0	-0.042	-0.035	38.506	-0.037	-0.037	0.000	0.000	0.000	0.000
174	A	181	CYS	0	-0.048	0.000	35.763	0.157	0.157	0.000	0.000	0.000	0.000
175	A	182	LEU	0	0.038	0.020	37.798	0.016	0.016	0.000	0.000	0.000	0.000
176	A	183	THR	0	-0.067	-0.039	40.780	-0.117	-0.117	0.000	0.000	0.000	0.000
177	A	184	LYS	1	0.822	0.896	36.469	-8.872	-8.872	0.000	0.000	0.000	0.000
178	A	185	PHE	0	-0.034	-0.015	35.024	0.118	0.118	0.000	0.000	0.000	0.000
179	A	186	GLN	0	-0.046	-0.025	41.014	-0.312	-0.312	0.000	0.000	0.000	0.000
180	A	187	ASP	-1	-0.933	-0.955	44.297	6.917	6.917	0.000	0.000	0.000	0.000
181	A	205	GLU	-1	-0.885	-0.946	44.668	7.020	7.020	0.000	0.000	0.000	0.000
182	A	206	ALA	0	0.049	0.020	43.114	-0.059	-0.059	0.000	0.000	0.000	0.000
183	A	207	THR	0	0.043	0.008	45.106	0.026	0.026	0.000	0.000	0.000	0.000
184	A	208	ARG	1	0.985	0.992	48.254	-6.159	-6.159	0.000	0.000	0.000	0.000
185	A	209	THR	0	0.015	0.015	44.609	-0.066	-0.066	0.000	0.000	0.000	0.000
186	A	210	LEU	0	-0.018	-0.007	44.307	-0.017	-0.017	0.000	0.000	0.000	0.000
187	A	211	VAL	0	0.010	0.002	48.046	-0.063	-0.063	0.000	0.000	0.000	0.000
188	A	212	ALA	0	0.024	0.019	49.920	-0.103	-0.103	0.000	0.000	0.000	0.000
189	A	213	SER	0	-0.022	-0.017	47.649	-0.022	-0.022	0.000	0.000	0.000	0.000
190	A	214	ILE	0	-0.079	-0.032	49.967	-0.013	-0.013	0.000	0.000	0.000	0.000
191	A	215	GLN	0	-0.075	-0.058	52.285	-0.021	-0.021	0.000	0.000	0.000	0.000
192	A	216	ASN	0	-0.033	-0.020	52.893	-0.158	-0.158	0.000	0.000	0.000	0.000
193	A	217	ASP	-1	-0.794	-0.863	48.011	6.863	6.863	0.000	0.000	0.000	0.000
194	A	218	PRO	0	0.056	0.030	50.166	-0.076	-0.076	0.000	0.000	0.000	0.000
195	A	219	SER	0	-0.077	-0.034	48.189	-0.028	-0.028	0.000	0.000	0.000	0.000
196	A	220	ALA	0	0.061	0.018	50.194	-0.006	-0.006	0.000	0.000	0.000	0.000
197	A	221	GLU	-1	-0.838	-0.921	46.633	6.552	6.552	0.000	0.000	0.000	0.000
198	A	222	VAL	0	0.022	0.008	45.693	0.121	0.121	0.000	0.000	0.000	0.000
199	A	223	ARG	1	0.795	0.900	47.217	-6.053	-6.053	0.000	0.000	0.000	0.000
200	A	224	ARG	1	0.778	0.882	49.133	-6.503	-6.503	0.000	0.000	0.000	0.000
201	A	225	ALA	0	-0.017	-0.006	44.568	0.016	0.016	0.000	0.000	0.000	0.000
202	A	226	ALA	0	0.045	0.010	46.674	0.062	0.062	0.000	0.000	0.000	0.000
203	A	227	MET	0	-0.011	-0.006	47.955	-0.047	-0.047	0.000	0.000	0.000	0.000
204	A	228	LEU	0	-0.102	-0.054	47.964	-0.032	-0.032	0.000	0.000	0.000	0.000
205	A	229	ASN	0	-0.084	-0.048	44.293	0.118	0.118	0.000	0.000	0.000	0.000
206	A	230	LEU	0	-0.017	0.018	46.613	0.107	0.107	0.000	0.000	0.000	0.000
207	A	231	ILE	0	0.024	0.016	47.429	-0.093	-0.093	0.000	0.000	0.000	0.000
208	A	232	ASN	0	0.036	0.027	49.928	-0.197	-0.197	0.000	0.000	0.000	0.000
209	A	233	ASP	-1	-0.763	-0.879	53.278	5.896	5.896	0.000	0.000	0.000	0.000
210	A	234	ASN	0	0.032	0.023	55.088	-0.011	-0.011	0.000	0.000	0.000	0.000
211	A	235	ASN	0	-0.065	-0.025	55.311	-0.146	-0.146	0.000	0.000	0.000	0.000
212	A	236	THR	0	-0.012	-0.043	52.018	-0.055	-0.055	0.000	0.000	0.000	0.000
213	A	237	ARG	1	0.825	0.899	55.431	-5.599	-5.599	0.000	0.000	0.000	0.000
214	A	238	PRO	0	0.029	0.007	57.604	-0.014	-0.014	0.000	0.000	0.000	0.000
215	A	239	TYR	0	0.036	0.014	55.689	-0.015	-0.015	0.000	0.000	0.000	0.000
216	A	240	ILE	0	-0.055	-0.026	53.032	0.027	0.027	0.000	0.000	0.000	0.000
217	A	241	LEU	0	0.009	-0.008	56.156	0.007	0.007	0.000	0.000	0.000	0.000
218	A	242	GLU	-1	-0.761	-0.836	58.866	5.522	5.522	0.000	0.000	0.000	0.000
219	A	243	ARG	1	0.767	0.864	55.085	-5.835	-5.835	0.000	0.000	0.000	0.000
220	A	244	ALA	0	0.007	0.005	58.476	0.034	0.034	0.000	0.000	0.000	0.000
221	A	245	ARG	1	0.862	0.926	61.227	-5.103	-5.103	0.000	0.000	0.000	0.000
222	A	246	ASP	-1	-0.756	-0.841	55.943	5.904	5.904	0.000	0.000	0.000	0.000
223	A	247	VAL	0	0.104	0.051	57.870	-0.045	-0.045	0.000	0.000	0.000	0.000
224	A	248	ASN	0	-0.044	-0.024	54.093	-0.048	-0.048	0.000	0.000	0.000	0.000
225	A	249	ILE	0	0.100	0.043	57.657	-0.011	-0.011	0.000	0.000	0.000	0.000
226	A	250	VAL	0	-0.023	-0.004	52.767	-0.016	-0.016	0.000	0.000	0.000	0.000
227	A	251	ASN	0	-0.027	-0.015	52.876	0.066	0.066	0.000	0.000	0.000	0.000
228	A	252	ARG	1	0.912	0.960	55.552	-5.286	-5.286	0.000	0.000	0.000	0.000
229	A	253	ARG	1	0.919	0.948	55.241	-5.773	-5.773	0.000	0.000	0.000	0.000
230	A	254	LEU	0	-0.049	-0.039	51.812	0.012	0.012	0.000	0.000	0.000	0.000
231	A	255	VAL	0	0.037	0.038	55.829	0.062	0.062	0.000	0.000	0.000	0.000
232	A	256	TYR	0	0.031	-0.009	57.992	0.034	0.034	0.000	0.000	0.000	0.000
233	A	257	SER	0	-0.073	-0.035	55.801	0.052	0.052	0.000	0.000	0.000	0.000
234	A	258	ARG	1	0.915	0.937	48.806	-6.482	-6.482	0.000	0.000	0.000	0.000
235	A	259	ILE	0	0.006	0.033	52.840	0.025	0.025	0.000	0.000	0.000	0.000
236	A	260	LEU	0	0.080	0.020	55.746	0.014	0.014	0.000	0.000	0.000	0.000
237	A	261	LYS	1	0.919	0.970	55.613	-5.832	-5.832	0.000	0.000	0.000	0.000
238	A	262	SER	0	-0.123	-0.081	53.523	0.062	0.062	0.000	0.000	0.000	0.000
239	A	263	MET	0	-0.072	-0.018	55.461	-0.007	-0.007	0.000	0.000	0.000	0.000
240	A	264	GLY	0	0.025	0.015	57.980	-0.018	-0.018	0.000	0.000	0.000	0.000
241	A	265	ARG	1	0.894	0.923	60.453	-4.940	-4.940	0.000	0.000	0.000	0.000
242	A	266	LYS	1	0.912	0.942	57.621	-5.623	-5.623	0.000	0.000	0.000	0.000
243	A	267	CYS	0	-0.096	-0.034	61.400	0.017	0.017	0.000	0.000	0.000	0.000
244	A	268	PHE	0	0.020	-0.009	63.589	-0.049	-0.049	0.000	0.000	0.000	0.000
245	A	269	ASP	-1	-0.914	-0.934	64.542	4.912	4.912	0.000	0.000	0.000	0.000
246	A	270	ASP	-1	-0.900	-0.935	60.843	5.368	5.368	0.000	0.000	0.000	0.000
247	A	271	ILE	0	-0.070	-0.036	62.580	0.108	0.108	0.000	0.000	0.000	0.000
248	A	272	GLU	-1	-0.843	-0.904	64.451	4.760	4.760	0.000	0.000	0.000	0.000
249	A	273	PRO	0	0.075	0.014	67.348	0.014	0.014	0.000	0.000	0.000	0.000
250	A	274	HIS	0	-0.031	-0.022	68.274	-0.021	-0.021	0.000	0.000	0.000	0.000
251	A	275	ILE	0	0.007	-0.004	63.888	0.008	0.008	0.000	0.000	0.000	0.000
252	A	276	PHE	0	-0.021	-0.012	66.353	0.054	0.054	0.000	0.000	0.000	0.000
253	A	277	ASP	-1	-0.785	-0.882	67.918	4.503	4.503	0.000	0.000	0.000	0.000
254	A	278	GLN	0	-0.048	-0.021	68.501	-0.022	-0.022	0.000	0.000	0.000	0.000
255	A	279	LEU	0	-0.017	-0.008	63.011	0.060	0.060	0.000	0.000	0.000	0.000
256	A	280	ILE	0	0.018	0.021	66.642	0.053	0.053	0.000	0.000	0.000	0.000
257	A	281	GLU	-1	-0.842	-0.909	68.661	4.477	4.477	0.000	0.000	0.000	0.000
258	A	282	TRP	0	0.013	-0.003	64.626	0.066	0.066	0.000	0.000	0.000	0.000
259	A	283	GLY	0	-0.029	-0.026	65.860	0.021	0.021	0.000	0.000	0.000	0.000
260	A	284	LEU	0	-0.047	-0.046	66.591	0.017	0.017	0.000	0.000	0.000	0.000
261	A	285	GLU	-1	-0.850	-0.894	69.822	4.346	4.346	0.000	0.000	0.000	0.000
262	A	286	ASP	-1	-0.812	-0.881	65.415	5.063	5.063	0.000	0.000	0.000	0.000
263	A	287	ARG	1	1.021	1.006	67.615	-4.613	-4.613	0.000	0.000	0.000	0.000
264	A	288	GLU	-1	-0.916	-0.961	62.819	5.129	5.129	0.000	0.000	0.000	0.000
265	A	289	LEU	0	0.013	0.011	65.473	-0.012	-0.012	0.000	0.000	0.000	0.000
266	A	290	SER	0	-0.023	-0.013	60.369	0.072	0.072	0.000	0.000	0.000	0.000
267	A	291	VAL	0	-0.020	-0.011	61.155	0.060	0.060	0.000	0.000	0.000	0.000
268	A	292	ARG	1	0.926	0.978	62.965	-4.740	-4.740	0.000	0.000	0.000	0.000
269	A	293	ASN	0	0.007	-0.010	63.997	-0.073	-0.073	0.000	0.000	0.000	0.000
270	A	294	ALA	0	-0.045	-0.015	60.454	0.023	0.023	0.000	0.000	0.000	0.000
271	A	295	CYS	0	-0.012	0.015	62.237	0.023	0.023	0.000	0.000	0.000	0.000
272	A	296	LYS	1	0.971	0.989	64.659	-4.654	-4.654	0.000	0.000	0.000	0.000
273	A	297	ARG	1	0.775	0.887	60.137	-5.417	-5.417	0.000	0.000	0.000	0.000
274	A	298	LEU	0	-0.023	-0.002	60.854	0.023	0.023	0.000	0.000	0.000	0.000
275	A	299	ILE	0	0.039	0.024	63.546	-0.001	-0.001	0.000	0.000	0.000	0.000
276	A	300	ALA	0	0.027	0.013	67.206	-0.028	-0.028	0.000	0.000	0.000	0.000
277	A	301	HIS	0	-0.063	-0.047	61.067	-0.006	-0.006	0.000	0.000	0.000	0.000
278	A	302	ASP	-1	-0.847	-0.931	60.576	5.491	5.491	0.000	0.000	0.000	0.000
279	A	303	TRP	0	0.059	0.015	62.639	-0.001	-0.001	0.000	0.000	0.000	0.000
280	A	304	LEU	0	0.055	0.041	65.226	0.001	0.001	0.000	0.000	0.000	0.000
281	A	305	ASN	0	-0.045	-0.033	63.240	-0.091	-0.091	0.000	0.000	0.000	0.000
282	A	306	ALA	0	-0.072	-0.023	62.679	0.019	0.019	0.000	0.000	0.000	0.000
283	A	307	LEU	0	-0.056	-0.028	64.197	0.027	0.027	0.000	0.000	0.000	0.000
284	A	308	ASP	-1	-0.915	-0.950	66.542	4.889	4.889	0.000	0.000	0.000	0.000
285	A	309	GLY	0	-0.081	-0.040	68.425	-0.068	-0.068	0.000	0.000	0.000	0.000
286	A	310	ASP	-1	-0.851	-0.915	70.799	4.311	4.311	0.000	0.000	0.000	0.000
287	A	311	LEU	0	-0.013	-0.021	72.816	0.032	0.032	0.000	0.000	0.000	0.000
288	A	312	ILE	0	0.030	0.011	74.600	-0.008	-0.008	0.000	0.000	0.000	0.000
289	A	313	GLU	-1	-0.717	-0.838	70.806	4.692	4.692	0.000	0.000	0.000	0.000
290	A	314	LEU	0	-0.026	-0.028	69.246	0.036	0.036	0.000	0.000	0.000	0.000
291	A	315	LEU	0	-0.057	-0.042	72.422	0.016	0.016	0.000	0.000	0.000	0.000
292	A	316	GLU	-1	-0.857	-0.924	74.775	4.346	4.346	0.000	0.000	0.000	0.000
293	A	317	LYS	1	0.723	0.875	69.841	-4.556	-4.556	0.000	0.000	0.000	0.000
294	A	318	LEU	0	-0.076	-0.044	70.828	0.028	0.028	0.000	0.000	0.000	0.000
295	A	319	ASP	-1	-0.817	-0.898	73.632	4.185	4.185	0.000	0.000	0.000	0.000
296	A	320	VAL	0	0.010	-0.029	76.867	-0.015	-0.015	0.000	0.000	0.000	0.000
297	A	321	SER	0	-0.045	-0.011	79.541	-0.056	-0.056	0.000	0.000	0.000	0.000
298	A	322	ARG	1	0.839	0.924	77.965	-4.214	-4.214	0.000	0.000	0.000	0.000
299	A	323	SER	0	0.050	0.012	75.787	0.034	0.034	0.000	0.000	0.000	0.000
300	A	324	SER	0	0.001	-0.005	78.339	-0.054	-0.054	0.000	0.000	0.000	0.000
301	A	325	VAL	0	0.036	0.021	73.026	-0.009	-0.009	0.000	0.000	0.000	0.000
302	A	326	CYS	0	-0.027	0.013	75.105	0.026	0.026	0.000	0.000	0.000	0.000
303	A	327	VAL	0	0.023	0.009	76.294	0.002	0.002	0.000	0.000	0.000	0.000
304	A	328	LYS	1	0.893	0.928	73.995	-4.353	-4.353	0.000	0.000	0.000	0.000
305	A	329	ALA	0	-0.037	-0.012	72.135	0.048	0.048	0.000	0.000	0.000	0.000
306	A	330	ILE	0	0.024	0.012	72.879	0.054	0.054	0.000	0.000	0.000	0.000
307	A	331	GLU	-1	-0.897	-0.933	75.451	4.174	4.174	0.000	0.000	0.000	0.000
308	A	332	ALA	0	-0.099	-0.061	70.503	0.035	0.035	0.000	0.000	0.000	0.000
309	A	333	LEU	0	-0.026	-0.017	71.250	0.061	0.061	0.000	0.000	0.000	0.000
310	A	334	PHE	0	0.014	0.001	72.344	0.031	0.031	0.000	0.000	0.000	0.000
311	A	335	GLN	0	-0.009	0.005	72.359	0.035	0.035	0.000	0.000	0.000	0.000
312	A	336	SER	0	-0.078	-0.029	68.162	0.060	0.060	0.000	0.000	0.000	0.000
313	A	337	ARG	1	0.813	0.892	68.463	-4.644	-4.644	0.000	0.000	0.000	0.000
314	A	338	PRO	0	0.114	0.050	72.142	-0.052	-0.052	0.000	0.000	0.000	0.000
315	A	339	ASP	-1	-0.844	-0.915	72.341	4.483	4.483	0.000	0.000	0.000	0.000
316	A	340	ILE	0	-0.021	-0.026	73.357	-0.048	-0.048	0.000	0.000	0.000	0.000
317	A	341	LEU	0	0.035	0.031	76.146	-0.044	-0.044	0.000	0.000	0.000	0.000
318	A	342	SER	0	0.014	0.000	78.892	-0.052	-0.052	0.000	0.000	0.000	0.000
319	A	343	LYS	1	0.823	0.915	74.795	-4.401	-4.401	0.000	0.000	0.000	0.000
320	A	344	ILE	0	-0.016	0.012	78.670	-0.016	-0.016	0.000	0.000	0.000	0.000
321	A	345	LYS	1	0.812	0.907	82.655	-3.797	-3.797	0.000	0.000	0.000	0.000
322	A	346	PHE	0	0.013	0.006	84.780	0.021	0.021	0.000	0.000	0.000	0.000
323	A	347	PRO	0	0.036	0.021	88.496	-0.051	-0.051	0.000	0.000	0.000	0.000
324	A	348	GLU	-1	-0.747	-0.874	91.768	3.412	3.412	0.000	0.000	0.000	0.000
325	A	349	SER	0	-0.060	-0.038	90.489	-0.011	-0.011	0.000	0.000	0.000	0.000
326	A	350	ILE	0	0.033	0.015	85.574	0.014	0.014	0.000	0.000	0.000	0.000
327	A	351	TRP	0	0.005	-0.003	89.561	0.015	0.015	0.000	0.000	0.000	0.000
328	A	352	LYS	1	0.861	0.929	91.708	-3.439	-3.439	0.000	0.000	0.000	0.000
329	A	353	ASP	-1	-0.942	-0.956	85.766	3.823	3.823	0.000	0.000	0.000	0.000
330	A	354	PHE	0	-0.002	0.009	87.241	0.041	0.041	0.000	0.000	0.000	0.000
331	A	355	THR	0	0.035	-0.001	82.981	-0.028	-0.028	0.000	0.000	0.000	0.000
332	A	356	VAL	0	0.045	0.014	82.282	-0.017	-0.017	0.000	0.000	0.000	0.000
333	A	357	GLU	-1	-0.830	-0.902	79.139	4.061	4.061	0.000	0.000	0.000	0.000
334	A	358	ILE	0	-0.001	0.000	81.747	0.010	0.010	0.000	0.000	0.000	0.000
335	A	359	ALA	0	-0.011	-0.005	83.922	-0.020	-0.020	0.000	0.000	0.000	0.000
336	A	360	PHE	0	0.012	-0.018	78.981	-0.017	-0.017	0.000	0.000	0.000	0.000
337	A	361	LEU	0	0.026	0.003	79.096	0.011	0.011	0.000	0.000	0.000	0.000
338	A	362	PHE	0	-0.031	0.001	82.693	-0.009	-0.009	0.000	0.000	0.000	0.000
339	A	363	ARG	1	0.916	0.958	84.374	-3.901	-3.901	0.000	0.000	0.000	0.000
340	A	364	ALA	0	-0.033	-0.007	80.850	0.002	0.002	0.000	0.000	0.000	0.000
341	A	365	ILE	0	0.013	-0.009	81.366	0.023	0.023	0.000	0.000	0.000	0.000
342	A	366	TYR	0	0.029	0.026	83.383	-0.001	-0.001	0.000	0.000	0.000	0.000
343	A	367	LEU	0	-0.013	-0.017	85.082	-0.017	-0.017	0.000	0.000	0.000	0.000
344	A	368	TYR	0	0.057	0.029	76.542	0.023	0.023	0.000	0.000	0.000	0.000
345	A	369	CYS	0	-0.056	-0.037	82.900	0.032	0.032	0.000	0.000	0.000	0.000
346	A	370	LEU	0	0.009	0.017	84.695	-0.013	-0.013	0.000	0.000	0.000	0.000
347	A	371	ASP	-1	-0.863	-0.897	83.494	3.830	3.830	0.000	0.000	0.000	0.000
348	A	372	ASN	0	-0.105	-0.057	80.244	0.043	0.043	0.000	0.000	0.000	0.000
349	A	373	ASN	0	-0.061	-0.022	83.168	0.025	0.025	0.000	0.000	0.000	0.000
350	A	374	ILE	0	-0.009	-0.001	81.347	0.003	0.003	0.000	0.000	0.000	0.000
351	A	375	THR	0	0.007	-0.021	85.186	0.013	0.013	0.000	0.000	0.000	0.000
352	A	376	GLU	-1	-0.913	-0.936	85.356	3.738	3.738	0.000	0.000	0.000	0.000
353	A	377	MET	0	-0.055	-0.019	82.919	-0.001	-0.001	0.000	0.000	0.000	0.000
354	A	378	LEU	0	-0.032	-0.037	87.241	0.017	0.017	0.000	0.000	0.000	0.000
355	A	379	GLU	-1	-0.941	-0.958	90.024	3.477	3.477	0.000	0.000	0.000	0.000
356	A	380	GLU	-1	-0.864	-0.921	89.169	3.653	3.653	0.000	0.000	0.000	0.000
357	A	381	ASN	0	-0.066	-0.043	84.744	-0.015	-0.015	0.000	0.000	0.000	0.000
358	A	382	PHE	0	0.000	0.003	86.139	0.025	0.025	0.000	0.000	0.000	0.000
359	A	383	PRO	0	-0.017	0.007	91.282	-0.027	-0.027	0.000	0.000	0.000	0.000
360	A	384	GLU	-1	-0.777	-0.835	94.870	3.268	3.268	0.000	0.000	0.000	0.000
361	A	385	ALA	0	0.046	0.011	97.709	0.000	0.000	0.000	0.000	0.000	0.000
362	A	386	SER	0	-0.018	-0.048	99.071	0.000	0.000	0.000	0.000	0.000	0.000
363	A	387	LYS	1	0.833	0.908	97.925	-3.291	-3.291	0.000	0.000	0.000	0.000
364	A	388	LEU	0	-0.036	-0.010	93.713	0.013	0.013	0.000	0.000	0.000	0.000
365	A	389	SER	0	-0.025	-0.023	97.128	-0.001	-0.001	0.000	0.000	0.000	0.000
366	A	390	GLU	-1	-0.806	-0.887	100.139	3.233	3.233	0.000	0.000	0.000	0.000
367	A	391	HIS	1	0.771	0.869	95.366	-3.418	-3.418	0.000	0.000	0.000	0.000
368	A	392	LEU	0	0.056	0.031	95.434	0.013	0.013	0.000	0.000	0.000	0.000
369	A	393	ASN	0	0.032	0.008	97.190	-0.005	-0.005	0.000	0.000	0.000	0.000
370	A	394	HIS	0	-0.024	-0.005	96.517	-0.030	-0.030	0.000	0.000	0.000	0.000
371	A	395	TYR	0	0.012	-0.011	92.787	-0.002	-0.002	0.000	0.000	0.000	0.000
372	A	396	ILE	0	0.033	0.012	96.957	0.009	0.009	0.000	0.000	0.000	0.000
373	A	397	LEU	0	-0.033	-0.007	99.286	-0.017	-0.017	0.000	0.000	0.000	0.000
374	A	398	LEU	0	-0.073	-0.037	96.969	-0.007	-0.007	0.000	0.000	0.000	0.000
375	A	399	ARG	1	0.783	0.903	95.197	-3.410	-3.410	0.000	0.000	0.000	0.000
376	A	400	TYR	0	-0.041	-0.033	96.632	0.003	0.003	0.000	0.000	0.000	0.000
377	A	401	HIS	0	0.015	0.023	101.556	-0.031	-0.031	0.000	0.000	0.000	0.000
378	A	414	ASP	-1	-0.793	-0.898	88.483	3.705	3.705	0.000	0.000	0.000	0.000
379	A	415	TYR	0	0.020	0.005	91.188	-0.014	-0.014	0.000	0.000	0.000	0.000
380	A	416	ASN	0	0.007	0.005	86.950	-0.048	-0.048	0.000	0.000	0.000	0.000
381	A	417	THR	0	-0.003	-0.033	86.155	-0.007	-0.007	0.000	0.000	0.000	0.000
382	A	418	LEU	0	-0.021	0.000	88.796	-0.002	-0.002	0.000	0.000	0.000	0.000
383	A	419	GLU	-1	-0.756	-0.853	91.796	3.486	3.486	0.000	0.000	0.000	0.000
384	A	420	PHE	0	0.020	0.019	83.433	-0.006	-0.006	0.000	0.000	0.000	0.000
385	A	421	ILE	0	0.012	-0.006	88.567	0.007	0.007	0.000	0.000	0.000	0.000
386	A	422	ILE	0	-0.016	-0.006	90.104	-0.010	-0.010	0.000	0.000	0.000	0.000
387	A	423	GLU	-1	-0.880	-0.922	87.901	3.724	3.724	0.000	0.000	0.000	0.000
388	A	424	GLN	0	-0.042	-0.030	85.920	0.041	0.041	0.000	0.000	0.000	0.000
389	A	425	LEU	0	-0.029	-0.013	89.040	-0.002	-0.002	0.000	0.000	0.000	0.000
390	A	426	SER	0	0.000	-0.010	91.930	-0.038	-0.038	0.000	0.000	0.000	0.000
391	A	427	ILE	0	-0.021	-0.015	87.602	-0.012	-0.012	0.000	0.000	0.000	0.000
392	A	428	ALA	0	-0.014	-0.006	89.626	-0.002	-0.002	0.000	0.000	0.000	0.000
393	A	429	ALA	0	0.009	0.000	91.099	-0.020	-0.020	0.000	0.000	0.000	0.000
394	A	430	GLU	-1	-0.907	-0.935	93.236	3.495	3.495	0.000	0.000	0.000	0.000
395	A	431	ARG	1	0.825	0.879	86.570	-3.754	-3.754	0.000	0.000	0.000	0.000
396	A	432	TYR	0	-0.038	-0.040	92.135	0.029	0.029	0.000	0.000	0.000	0.000
397	A	433	ASP	-1	-0.834	-0.874	94.900	3.327	3.327	0.000	0.000	0.000	0.000
398	A	434	TYR	0	-0.066	-0.086	97.097	-0.029	-0.029	0.000	0.000	0.000	0.000
399	A	435	SER	0	-0.034	-0.044	99.666	-0.044	-0.044	0.000	0.000	0.000	0.000
400	A	436	ASP	-1	-0.841	-0.920	102.060	3.107	3.107	0.000	0.000	0.000	0.000
401	A	437	GLU	-1	-0.779	-0.864	104.064	3.040	3.040	0.000	0.000	0.000	0.000
402	A	438	VAL	0	-0.061	-0.031	106.251	-0.021	-0.021	0.000	0.000	0.000	0.000
403	A	439	GLY	0	0.037	0.015	102.701	-0.002	-0.002	0.000	0.000	0.000	0.000
404	A	440	ARG	1	0.845	0.901	103.097	-3.069	-3.069	0.000	0.000	0.000	0.000
405	A	441	ARG	1	0.866	0.924	104.327	-2.974	-2.974	0.000	0.000	0.000	0.000
406	A	442	SER	0	-0.033	-0.014	104.179	-0.012	-0.012	0.000	0.000	0.000	0.000
407	A	443	MET	0	0.031	0.016	97.856	0.003	0.003	0.000	0.000	0.000	0.000
408	A	444	LEU	0	-0.028	-0.001	102.652	0.005	0.005	0.000	0.000	0.000	0.000
409	A	445	THR	0	-0.054	-0.049	104.998	-0.006	-0.006	0.000	0.000	0.000	0.000
410	A	446	VAL	0	-0.010	0.013	101.096	-0.008	-0.008	0.000	0.000	0.000	0.000
411	A	447	VAL	0	0.025	0.007	99.978	0.005	0.005	0.000	0.000	0.000	0.000
412	A	448	ARG	1	0.853	0.899	102.677	-2.993	-2.993	0.000	0.000	0.000	0.000
413	A	449	ASN	0	-0.018	-0.006	106.015	-0.030	-0.030	0.000	0.000	0.000	0.000
414	A	450	MET	0	-0.009	0.008	98.052	0.010	0.010	0.000	0.000	0.000	0.000
415	A	451	LEU	0	-0.016	-0.012	100.698	0.006	0.006	0.000	0.000	0.000	0.000
416	A	452	ALA	0	0.043	0.034	103.739	-0.007	-0.007	0.000	0.000	0.000	0.000
417	A	453	LEU	0	-0.043	-0.002	102.212	-0.018	-0.018	0.000	0.000	0.000	0.000
418	A	454	THR	0	0.035	-0.002	103.925	0.035	0.035	0.000	0.000	0.000	0.000
419	A	455	THR	0	-0.040	-0.028	101.482	0.006	0.006	0.000	0.000	0.000	0.000
420	A	456	LEU	0	-0.084	-0.012	98.479	0.037	0.037	0.000	0.000	0.000	0.000
421	A	457	SER	0	0.005	-0.016	94.357	-0.009	-0.009	0.000	0.000	0.000	0.000
422	A	458	GLU	-1	-0.817	-0.898	94.748	3.473	3.473	0.000	0.000	0.000	0.000
423	A	459	PRO	0	-0.011	-0.021	91.043	-0.012	-0.012	0.000	0.000	0.000	0.000
424	A	460	LEU	0	0.043	0.011	93.185	0.006	0.006	0.000	0.000	0.000	0.000
425	A	461	ILE	0	0.009	0.017	95.630	-0.033	-0.033	0.000	0.000	0.000	0.000
426	A	462	LYS	1	0.916	0.973	89.709	-3.658	-3.658	0.000	0.000	0.000	0.000
427	A	463	ILE	0	-0.015	-0.005	92.081	-0.012	-0.012	0.000	0.000	0.000	0.000
428	A	464	GLY	0	0.049	0.017	94.993	-0.014	-0.014	0.000	0.000	0.000	0.000
429	A	465	ILE	0	-0.031	-0.018	98.428	-0.033	-0.033	0.000	0.000	0.000	0.000
430	A	466	ARG	1	0.892	0.938	91.619	-3.551	-3.551	0.000	0.000	0.000	0.000
431	A	467	VAL	0	0.016	0.022	96.220	-0.009	-0.009	0.000	0.000	0.000	0.000
432	A	468	MET	0	-0.007	0.003	98.347	-0.029	-0.029	0.000	0.000	0.000	0.000
433	A	469	LYS	1	0.830	0.913	99.563	-3.277	-3.277	0.000	0.000	0.000	0.000
434	A	470	SER	0	-0.014	-0.003	96.647	-0.022	-0.022	0.000	0.000	0.000	0.000
435	A	471	LEU	0	-0.069	-0.016	99.833	-0.023	-0.023	0.000	0.000	0.000	0.000
436	A	472	SER	0	-0.078	-0.021	102.772	-0.038	-0.038	0.000	0.000	0.000	0.000
437	A	473	ILE	0	-0.003	-0.007	104.411	0.015	0.015	0.000	0.000	0.000	0.000
438	A	474	ASN	0	-0.019	-0.027	106.013	0.001	0.001	0.000	0.000	0.000	0.000
439	A	475	GLU	-1	-0.684	-0.838	103.768	3.168	3.168	0.000	0.000	0.000	0.000
440	A	476	LYS	1	0.891	0.935	106.746	-2.937	-2.937	0.000	0.000	0.000	0.000
441	A	477	ASP	-1	-0.853	-0.916	108.518	3.010	3.010	0.000	0.000	0.000	0.000
442	A	478	PHE	0	0.003	0.012	101.924	-0.001	-0.001	0.000	0.000	0.000	0.000
443	A	479	VAL	0	0.023	-0.012	106.629	0.001	0.001	0.000	0.000	0.000	0.000
444	A	480	THR	0	-0.060	-0.036	108.405	-0.022	-0.022	0.000	0.000	0.000	0.000
445	A	481	MET	0	0.009	0.013	107.061	-0.014	-0.014	0.000	0.000	0.000	0.000
446	A	482	ALA	0	0.002	0.004	105.896	0.004	0.004	0.000	0.000	0.000	0.000
447	A	483	ILE	0	-0.028	-0.041	107.621	-0.001	-0.001	0.000	0.000	0.000	0.000
448	A	484	GLU	-1	-0.881	-0.900	110.480	2.922	2.922	0.000	0.000	0.000	0.000
449	A	485	ILE	0	0.047	0.024	106.319	-0.004	-0.004	0.000	0.000	0.000	0.000
450	A	486	ILE	0	-0.044	-0.031	106.145	-0.003	-0.003	0.000	0.000	0.000	0.000
451	A	487	ASN	0	0.000	-0.019	109.543	0.001	0.001	0.000	0.000	0.000	0.000
452	A	488	ASP	-1	-0.830	-0.897	112.348	2.866	2.866	0.000	0.000	0.000	0.000
453	A	489	ILE	0	-0.063	-0.022	106.884	0.001	0.001	0.000	0.000	0.000	0.000
454	A	490	ARG	1	0.812	0.890	111.129	-2.893	-2.893	0.000	0.000	0.000	0.000
455	A	491	ASP	-1	-0.883	-0.952	113.033	2.807	2.807	0.000	0.000	0.000	0.000
456	A	492	ASP	-1	-0.863	-0.919	113.599	2.859	2.859	0.000	0.000	0.000	0.000
457	A	493	ASP	-1	-0.901	-0.939	112.613	2.934	2.934	0.000	0.000	0.000	0.000
458	A	494	ILE	0	-0.036	-0.034	114.552	-0.007	-0.007	0.000	0.000	0.000	0.000
459	A	495	GLU	-1	-0.881	-0.925	118.057	2.706	2.706	0.000	0.000	0.000	0.000
460	A	496	LYS	1	0.876	0.929	113.025	-2.903	-2.903	0.000	0.000	0.000	0.000
461	A	497	GLN	0	-0.045	0.003	116.433	-0.022	-0.022	0.000	0.000	0.000	0.000
462	A	498	GLU	-1	-0.915	-0.952	119.019	2.680	2.680	0.000	0.000	0.000	0.000
463	A	556	SER	0	-0.064	-0.023	120.200	-0.017	-0.017	0.000	0.000	0.000	0.000
464	A	568	LYS	1	0.809	0.908	119.959	-2.748	-2.748	0.000	0.000	0.000	0.000
465	A	569	GLU	-1	-0.960	-0.989	116.067	2.790	2.790	0.000	0.000	0.000	0.000
466	A	570	ALA	0	0.014	0.008	112.833	0.003	0.003	0.000	0.000	0.000	0.000
467	A	571	SER	0	-0.031	-0.022	110.420	0.016	0.016	0.000	0.000	0.000	0.000
468	A	572	SER	0	0.021	0.000	107.335	0.012	0.012	0.000	0.000	0.000	0.000
469	A	573	ALA	0	-0.014	-0.018	105.353	0.025	0.025	0.000	0.000	0.000	0.000
470	A	574	THR	0	0.023	-0.019	105.781	0.037	0.037	0.000	0.000	0.000	0.000
471	A	575	ILE	0	0.038	0.024	107.002	0.010	0.010	0.000	0.000	0.000	0.000
472	A	576	VAL	0	-0.010	-0.002	101.226	0.020	0.020	0.000	0.000	0.000	0.000
473	A	577	LEU	0	-0.007	0.026	102.502	0.033	0.033	0.000	0.000	0.000	0.000
474	A	578	CYS	0	-0.026	-0.004	104.079	0.010	0.010	0.000	0.000	0.000	0.000
475	A	579	LEU	0	0.018	0.005	103.730	0.009	0.009	0.000	0.000	0.000	0.000
476	A	580	THR	0	0.003	-0.006	98.493	0.033	0.033	0.000	0.000	0.000	0.000
477	A	581	ARG	1	0.850	0.920	100.509	-3.156	-3.156	0.000	0.000	0.000	0.000
478	A	582	SER	0	0.026	-0.015	102.559	0.006	0.006	0.000	0.000	0.000	0.000
479	A	583	SER	0	-0.079	-0.026	99.376	0.021	0.021	0.000	0.000	0.000	0.000
480	A	584	TYR	0	-0.042	-0.064	94.264	0.035	0.035	0.000	0.000	0.000	0.000
481	A	585	MET	0	-0.024	0.004	99.242	0.000	0.000	0.000	0.000	0.000	0.000
482	A	586	LEU	0	-0.022	-0.035	102.097	0.000	0.000	0.000	0.000	0.000	0.000
483	A	587	GLU	-1	-0.870	-0.915	95.054	3.487	3.487	0.000	0.000	0.000	0.000
484	A	588	LEU	0	-0.036	-0.015	96.560	0.025	0.025	0.000	0.000	0.000	0.000
485	A	589	VAL	0	-0.047	-0.009	99.895	-0.018	-0.018	0.000	0.000	0.000	0.000
486	A	590	ASN	0	-0.047	-0.043	99.040	0.045	0.045	0.000	0.000	0.000	0.000
487	A	591	THR	0	-0.031	0.006	102.960	-0.013	-0.013	0.000	0.000	0.000	0.000
488	A	592	PRO	0	0.037	0.010	106.644	0.003	0.003	0.000	0.000	0.000	0.000
489	A	593	LEU	0	0.043	0.015	108.716	-0.017	-0.017	0.000	0.000	0.000	0.000
490	A	594	THR	0	0.009	-0.004	110.517	-0.016	-0.016	0.000	0.000	0.000	0.000
491	A	595	GLU	-1	-0.902	-0.929	110.549	2.941	2.941	0.000	0.000	0.000	0.000
492	A	596	ASN	0	-0.093	-0.043	108.954	-0.023	-0.023	0.000	0.000	0.000	0.000
493	A	597	ILE	0	0.071	0.029	112.667	0.004	0.004	0.000	0.000	0.000	0.000
494	A	598	LEU	0	0.018	0.001	113.074	-0.001	-0.001	0.000	0.000	0.000	0.000
495	A	599	ILE	0	0.048	0.018	107.588	0.004	0.004	0.000	0.000	0.000	0.000
496	A	600	ALA	0	0.023	0.014	111.397	0.010	0.010	0.000	0.000	0.000	0.000
497	A	601	SER	0	0.006	0.017	113.969	-0.006	-0.006	0.000	0.000	0.000	0.000
498	A	602	LEU	0	0.022	0.018	108.056	0.000	0.000	0.000	0.000	0.000	0.000
499	A	603	MET	0	0.029	0.003	109.382	0.028	0.028	0.000	0.000	0.000	0.000
500	A	604	ASP	-1	-0.915	-0.944	111.740	2.848	2.848	0.000	0.000	0.000	0.000
501	A	605	THR	0	-0.088	-0.066	114.365	0.005	0.005	0.000	0.000	0.000	0.000
502	A	606	LEU	0	-0.008	-0.006	108.178	0.002	0.002	0.000	0.000	0.000	0.000
503	A	607	ILE	0	0.003	0.005	106.476	0.021	0.021	0.000	0.000	0.000	0.000
504	A	608	THR	0	0.009	0.003	108.530	0.014	0.014	0.000	0.000	0.000	0.000
505	A	609	PRO	0	-0.017	-0.018	110.646	0.006	0.006	0.000	0.000	0.000	0.000
506	A	610	ALA	0	0.009	0.023	106.379	0.007	0.007	0.000	0.000	0.000	0.000
507	A	611	VAL	0	-0.026	-0.014	105.393	0.025	0.025	0.000	0.000	0.000	0.000
508	A	612	ARG	1	0.910	0.979	107.088	-2.885	-2.885	0.000	0.000	0.000	0.000
509	A	613	ASN	0	-0.060	-0.045	108.950	0.008	0.008	0.000	0.000	0.000	0.000
510	A	614	THR	0	-0.053	-0.017	104.689	0.037	0.037	0.000	0.000	0.000	0.000
511	A	615	ALA	0	0.067	0.019	101.801	-0.026	-0.026	0.000	0.000	0.000	0.000
512	A	616	PRO	0	0.037	-0.001	98.645	-0.016	-0.016	0.000	0.000	0.000	0.000
513	A	617	ASN	0	0.064	0.054	99.161	-0.029	-0.029	0.000	0.000	0.000	0.000
514	A	618	ILE	0	0.023	0.022	100.222	0.005	0.005	0.000	0.000	0.000	0.000
515	A	619	ARG	1	0.936	0.986	102.695	-3.163	-3.163	0.000	0.000	0.000	0.000
516	A	620	GLU	-1	-0.902	-0.977	96.812	3.417	3.417	0.000	0.000	0.000	0.000
517	A	621	LEU	0	0.042	0.029	98.954	0.006	0.006	0.000	0.000	0.000	0.000
518	A	622	GLY	0	0.045	0.034	101.328	-0.011	-0.011	0.000	0.000	0.000	0.000
519	A	623	VAL	0	0.001	-0.004	100.082	-0.013	-0.013	0.000	0.000	0.000	0.000
520	A	624	LYS	1	0.917	0.968	95.645	-3.432	-3.432	0.000	0.000	0.000	0.000
521	A	625	ASN	0	-0.022	-0.010	100.059	-0.008	-0.008	0.000	0.000	0.000	0.000
522	A	626	LEU	0	0.050	0.024	103.123	-0.014	-0.014	0.000	0.000	0.000	0.000
523	A	627	GLY	0	0.019	-0.017	100.849	-0.011	-0.011	0.000	0.000	0.000	0.000
524	A	628	LEU	0	-0.010	-0.008	97.963	0.005	0.005	0.000	0.000	0.000	0.000
525	A	629	CYS	0	-0.017	0.001	101.646	-0.018	-0.018	0.000	0.000	0.000	0.000
526	A	630	CYS	0	-0.081	-0.036	103.328	-0.025	-0.025	0.000	0.000	0.000	0.000
527	A	631	LEU	0	0.008	0.013	98.070	-0.005	-0.005	0.000	0.000	0.000	0.000
528	A	632	LEU	0	-0.034	-0.003	102.482	-0.001	-0.001	0.000	0.000	0.000	0.000
529	A	633	ASP	-1	-0.896	-0.952	105.448	2.945	2.945	0.000	0.000	0.000	0.000
530	A	634	VAL	0	0.061	0.027	106.235	0.005	0.005	0.000	0.000	0.000	0.000
531	A	635	LYS	1	0.836	0.898	107.636	-2.881	-2.881	0.000	0.000	0.000	0.000
532	A	636	LEU	0	0.009	0.010	107.892	-0.002	-0.002	0.000	0.000	0.000	0.000
533	A	637	ALA	0	0.035	0.010	104.493	0.010	0.010	0.000	0.000	0.000	0.000
534	A	638	ILE	0	-0.030	-0.008	106.409	0.013	0.013	0.000	0.000	0.000	0.000
535	A	639	ASP	-1	-0.866	-0.914	108.472	2.916	2.916	0.000	0.000	0.000	0.000
536	A	640	ASN	0	-0.068	-0.051	106.679	-0.011	-0.011	0.000	0.000	0.000	0.000
537	A	641	MET	0	0.044	0.032	101.050	0.030	0.030	0.000	0.000	0.000	0.000
538	A	642	TYR	0	0.004	-0.003	104.724	0.020	0.020	0.000	0.000	0.000	0.000
539	A	643	ILE	0	0.013	0.005	105.805	0.017	0.017	0.000	0.000	0.000	0.000
540	A	644	LEU	0	0.065	0.036	100.981	0.026	0.026	0.000	0.000	0.000	0.000
541	A	645	GLY	0	0.065	0.028	101.381	0.038	0.038	0.000	0.000	0.000	0.000
542	A	646	MET	0	-0.038	-0.023	101.917	0.030	0.030	0.000	0.000	0.000	0.000
543	A	647	CYS	0	-0.059	-0.023	101.147	0.010	0.010	0.000	0.000	0.000	0.000
544	A	648	VAL	0	0.044	0.030	97.021	0.029	0.029	0.000	0.000	0.000	0.000
545	A	649	SER	0	-0.056	-0.029	97.923	0.040	0.040	0.000	0.000	0.000	0.000
546	A	650	LYS	1	0.865	0.926	100.158	-3.159	-3.159	0.000	0.000	0.000	0.000
547	A	651	GLY	0	0.054	0.050	99.555	-0.021	-0.021	0.000	0.000	0.000	0.000
548	A	652	ASN	0	0.010	0.009	95.746	0.022	0.022	0.000	0.000	0.000	0.000
549	A	653	ALA	0	0.054	0.012	91.049	-0.004	-0.004	0.000	0.000	0.000	0.000
550	A	654	SER	0	-0.022	-0.021	92.799	0.033	0.033	0.000	0.000	0.000	0.000
551	A	655	LEU	0	0.047	0.019	93.852	-0.007	-0.007	0.000	0.000	0.000	0.000
552	A	656	LYS	1	0.786	0.867	93.769	-3.450	-3.450	0.000	0.000	0.000	0.000
553	A	657	TYR	0	-0.002	-0.003	86.368	-0.028	-0.028	0.000	0.000	0.000	0.000
554	A	658	ILE	0	0.030	0.031	92.922	0.009	0.009	0.000	0.000	0.000	0.000
555	A	659	ALA	0	0.019	-0.001	95.439	-0.011	-0.011	0.000	0.000	0.000	0.000
556	A	660	LEU	0	0.000	-0.009	92.269	-0.017	-0.017	0.000	0.000	0.000	0.000
557	A	661	GLN	0	-0.018	-0.008	91.066	0.008	0.008	0.000	0.000	0.000	0.000
558	A	662	VAL	0	0.006	0.025	94.106	-0.011	-0.011	0.000	0.000	0.000	0.000
559	A	663	ILE	0	-0.028	-0.008	97.284	-0.018	-0.018	0.000	0.000	0.000	0.000
560	A	664	VAL	0	-0.002	-0.004	91.780	-0.008	-0.008	0.000	0.000	0.000	0.000
561	A	665	ASP	-1	-0.828	-0.903	93.637	3.537	3.537	0.000	0.000	0.000	0.000
562	A	666	ILE	0	0.000	-0.006	96.287	-0.022	-0.022	0.000	0.000	0.000	0.000
563	A	667	PHE	0	-0.030	-0.021	97.051	-0.024	-0.024	0.000	0.000	0.000	0.000
564	A	668	SER	0	-0.042	-0.025	94.283	0.009	0.009	0.000	0.000	0.000	0.000
565	A	669	VAL	0	-0.059	-0.012	96.351	0.005	0.005	0.000	0.000	0.000	0.000
566	A	670	HIS	0	-0.009	-0.022	99.216	-0.026	-0.026	0.000	0.000	0.000	0.000
567	A	671	GLY	0	0.001	0.004	99.537	-0.026	-0.026	0.000	0.000	0.000	0.000
568	A	672	ASN	0	-0.038	-0.057	99.055	-0.003	-0.003	0.000	0.000	0.000	0.000
569	A	673	THR	0	-0.030	-0.007	102.318	-0.030	-0.030	0.000	0.000	0.000	0.000
570	A	674	VAL	0	0.034	0.017	102.829	-0.043	-0.043	0.000	0.000	0.000	0.000
571	A	675	VAL	0	-0.041	-0.027	102.453	0.006	0.006	0.000	0.000	0.000	0.000
572	A	676	ASP	-1	-0.784	-0.845	104.220	3.158	3.158	0.000	0.000	0.000	0.000
573	A	677	GLY	0	-0.001	-0.013	107.389	-0.008	-0.008	0.000	0.000	0.000	0.000
574	A	678	GLU	-1	-0.963	-0.979	111.038	2.794	2.794	0.000	0.000	0.000	0.000
575	A	679	GLY	0	-0.011	-0.004	113.723	0.001	0.001	0.000	0.000	0.000	0.000
576	A	680	LYS	1	0.825	0.920	108.371	-3.006	-3.006	0.000	0.000	0.000	0.000
577	A	681	VAL	0	-0.017	-0.002	104.630	-0.006	-0.006	0.000	0.000	0.000	0.000
578	A	682	ASP	-1	-0.858	-0.931	105.080	3.082	3.082	0.000	0.000	0.000	0.000
579	A	683	SER	0	-0.037	-0.065	100.694	0.037	0.037	0.000	0.000	0.000	0.000
580	A	684	ILE	0	0.074	0.036	99.911	0.030	0.030	0.000	0.000	0.000	0.000
581	A	685	SER	0	-0.067	-0.038	100.346	0.036	0.036	0.000	0.000	0.000	0.000
582	A	686	LEU	0	0.051	0.021	99.206	0.025	0.025	0.000	0.000	0.000	0.000
583	A	687	HIS	0	0.042	0.022	96.324	0.033	0.033	0.000	0.000	0.000	0.000
584	A	688	LYS	1	0.865	0.929	95.579	-3.228	-3.228	0.000	0.000	0.000	0.000
585	A	689	ILE	0	-0.035	-0.001	96.301	0.027	0.027	0.000	0.000	0.000	0.000
586	A	690	PHE	0	0.049	0.020	92.226	0.032	0.032	0.000	0.000	0.000	0.000
587	A	691	TYR	0	0.043	0.031	89.606	0.029	0.029	0.000	0.000	0.000	0.000
588	A	692	LYS	1	0.900	0.936	91.443	-3.387	-3.387	0.000	0.000	0.000	0.000
589	A	693	VAL	0	-0.033	-0.019	90.362	0.019	0.019	0.000	0.000	0.000	0.000
590	A	694	LEU	0	-0.005	0.005	85.809	0.037	0.037	0.000	0.000	0.000	0.000
591	A	695	LYS	1	0.952	0.987	86.765	-3.573	-3.573	0.000	0.000	0.000	0.000
592	A	696	ASN	0	-0.064	-0.028	87.466	0.028	0.028	0.000	0.000	0.000	0.000
593	A	697	ASN	0	0.063	0.026	83.147	0.000	0.000	0.000	0.000	0.000	0.000
594	A	698	GLY	0	-0.012	0.003	84.617	0.029	0.029	0.000	0.000	0.000	0.000
595	A	699	LEU	0	-0.067	-0.041	86.633	-0.011	-0.011	0.000	0.000	0.000	0.000
596	A	700	PRO	0	0.037	0.013	82.353	-0.027	-0.027	0.000	0.000	0.000	0.000
597	A	701	GLU	-1	-0.826	-0.911	83.380	3.935	3.935	0.000	0.000	0.000	0.000
598	A	702	CYS	0	-0.036	-0.023	85.609	-0.018	-0.018	0.000	0.000	0.000	0.000
599	A	703	GLN	0	-0.016	-0.005	83.356	-0.033	-0.033	0.000	0.000	0.000	0.000
600	A	704	VAL	0	0.060	0.042	82.260	-0.001	-0.001	0.000	0.000	0.000	0.000
601	A	705	ILE	0	0.056	0.045	84.861	-0.010	-0.010	0.000	0.000	0.000	0.000
602	A	706	ALA	0	-0.027	-0.007	88.244	-0.027	-0.027	0.000	0.000	0.000	0.000
603	A	707	ALA	0	-0.001	-0.008	84.048	-0.013	-0.013	0.000	0.000	0.000	0.000
604	A	708	GLU	-1	-0.933	-0.977	84.386	3.852	3.852	0.000	0.000	0.000	0.000
605	A	709	GLY	0	0.002	-0.013	85.929	-0.018	-0.018	0.000	0.000	0.000	0.000
606	A	710	LEU	0	-0.002	-0.016	88.961	-0.032	-0.032	0.000	0.000	0.000	0.000
607	A	711	CYS	0	-0.046	-0.019	84.926	0.003	0.003	0.000	0.000	0.000	0.000
608	A	712	LYS	1	0.882	0.940	87.237	-3.645	-3.645	0.000	0.000	0.000	0.000
609	A	713	LEU	0	-0.017	0.002	89.130	-0.025	-0.025	0.000	0.000	0.000	0.000
610	A	714	PHE	0	-0.024	-0.024	89.036	-0.025	-0.025	0.000	0.000	0.000	0.000
611	A	715	LEU	0	-0.063	-0.022	84.784	-0.002	-0.002	0.000	0.000	0.000	0.000
612	A	716	ALA	0	-0.028	-0.004	89.026	-0.003	-0.003	0.000	0.000	0.000	0.000
613	A	717	ASP	-1	-0.850	-0.898	92.096	3.549	3.549	0.000	0.000	0.000	0.000
614	A	718	VAL	0	-0.025	0.003	93.856	-0.040	-0.040	0.000	0.000	0.000	0.000
615	A	719	PHE	0	-0.041	-0.010	93.386	-0.037	-0.037	0.000	0.000	0.000	0.000
616	A	720	THR	0	0.038	-0.007	93.370	0.043	0.043	0.000	0.000	0.000	0.000
617	A	721	ASP	-1	-0.858	-0.916	94.385	3.447	3.447	0.000	0.000	0.000	0.000
618	A	722	ASP	-1	-0.755	-0.870	91.450	3.622	3.622	0.000	0.000	0.000	0.000
619	A	723	ASP	-1	-0.860	-0.927	90.646	3.563	3.563	0.000	0.000	0.000	0.000
620	A	724	LEU	0	-0.058	-0.026	90.971	0.039	0.039	0.000	0.000	0.000	0.000
621	A	725	PHE	0	0.014	0.007	84.389	0.053	0.053	0.000	0.000	0.000	0.000
622	A	726	GLU	-1	-0.767	-0.888	86.111	3.856	3.856	0.000	0.000	0.000	0.000
623	A	727	THR	0	-0.094	-0.070	85.979	0.039	0.039	0.000	0.000	0.000	0.000
624	A	728	LEU	0	-0.021	0.001	85.272	0.039	0.039	0.000	0.000	0.000	0.000
625	A	729	VAL	0	0.043	0.028	80.659	0.061	0.061	0.000	0.000	0.000	0.000
626	A	730	LEU	0	-0.022	-0.002	81.011	0.066	0.066	0.000	0.000	0.000	0.000
627	A	731	SER	0	-0.077	-0.051	81.552	0.033	0.033	0.000	0.000	0.000	0.000
628	A	732	TYR	0	-0.021	-0.006	74.167	0.049	0.049	0.000	0.000	0.000	0.000
629	A	733	PHE	0	0.001	-0.014	74.685	0.067	0.067	0.000	0.000	0.000	0.000
630	A	734	SER	0	-0.009	0.016	77.289	0.032	0.032	0.000	0.000	0.000	0.000
631	A	735	PRO	0	0.070	0.019	76.357	0.033	0.033	0.000	0.000	0.000	0.000
632	A	736	ILE	0	-0.053	-0.017	77.285	0.023	0.023	0.000	0.000	0.000	0.000
633	A	737	ASN	0	-0.035	-0.035	79.438	-0.026	-0.026	0.000	0.000	0.000	0.000
634	A	738	SER	0	0.026	0.011	73.654	-0.003	-0.003	0.000	0.000	0.000	0.000
635	A	739	SER	0	-0.062	-0.014	74.678	0.033	0.033	0.000	0.000	0.000	0.000
636	A	740	ASN	0	-0.035	-0.009	76.368	0.035	0.035	0.000	0.000	0.000	0.000
637	A	741	GLU	-1	-0.775	-0.891	72.184	4.557	4.557	0.000	0.000	0.000	0.000
638	A	742	ALA	0	0.011	0.013	75.726	0.003	0.003	0.000	0.000	0.000	0.000
639	A	743	LEU	0	-0.009	0.000	78.480	-0.022	-0.022	0.000	0.000	0.000	0.000
640	A	744	VAL	0	0.031	0.015	74.173	-0.018	-0.018	0.000	0.000	0.000	0.000
641	A	745	GLN	0	-0.066	-0.059	72.822	-0.016	-0.016	0.000	0.000	0.000	0.000
642	A	746	ALA	0	0.002	0.011	76.409	-0.007	-0.007	0.000	0.000	0.000	0.000
643	A	747	PHE	0	0.048	0.001	79.624	-0.018	-0.018	0.000	0.000	0.000	0.000
644	A	748	ALA	0	-0.035	-0.010	74.647	0.003	0.003	0.000	0.000	0.000	0.000
645	A	749	PHE	0	-0.058	-0.023	76.483	0.036	0.036	0.000	0.000	0.000	0.000
646	A	750	CYS	0	-0.009	-0.006	77.966	-0.036	-0.036	0.000	0.000	0.000	0.000
647	A	751	ILE	0	0.025	0.008	79.218	-0.033	-0.033	0.000	0.000	0.000	0.000
648	A	752	PRO	0	-0.020	-0.005	76.490	-0.017	-0.017	0.000	0.000	0.000	0.000
649	A	753	VAL	0	0.007	0.001	79.000	-0.010	-0.010	0.000	0.000	0.000	0.000
650	A	754	TYR	0	0.011	0.015	80.971	-0.039	-0.039	0.000	0.000	0.000	0.000
651	A	755	CYS	0	-0.018	-0.013	81.131	-0.052	-0.052	0.000	0.000	0.000	0.000
652	A	756	PHE	0	-0.026	-0.024	75.997	-0.021	-0.021	0.000	0.000	0.000	0.000
653	A	757	SER	0	-0.003	0.014	81.484	-0.007	-0.007	0.000	0.000	0.000	0.000
654	A	758	HIS	0	0.055	0.012	84.504	-0.020	-0.020	0.000	0.000	0.000	0.000
655	A	759	PRO	0	0.035	0.034	86.081	0.019	0.019	0.000	0.000	0.000	0.000
656	A	760	ALA	0	0.004	0.001	87.115	0.003	0.003	0.000	0.000	0.000	0.000
657	A	761	HIS	1	0.795	0.882	86.561	-3.722	-3.722	0.000	0.000	0.000	0.000
658	A	762	GLN	0	-0.023	-0.033	80.632	-0.026	-0.026	0.000	0.000	0.000	0.000
659	A	763	GLN	0	-0.040	-0.033	85.174	-0.009	-0.009	0.000	0.000	0.000	0.000
660	A	764	ARG	1	0.818	0.911	87.840	-3.608	-3.608	0.000	0.000	0.000	0.000
661	A	765	MET	0	0.002	0.010	81.162	0.004	0.004	0.000	0.000	0.000	0.000
662	A	766	SER	0	-0.063	-0.033	83.938	0.022	0.022	0.000	0.000	0.000	0.000
663	A	767	ARG	1	0.890	0.930	84.982	-3.592	-3.592	0.000	0.000	0.000	0.000
664	A	768	THR	0	0.013	0.020	86.303	0.015	0.015	0.000	0.000	0.000	0.000
665	A	769	ALA	0	-0.012	-0.001	81.112	0.024	0.024	0.000	0.000	0.000	0.000
666	A	770	ALA	0	0.025	0.009	81.872	0.054	0.054	0.000	0.000	0.000	0.000
667	A	771	ASP	-1	-0.806	-0.907	83.032	3.786	3.786	0.000	0.000	0.000	0.000
668	A	772	ILE	0	-0.005	0.001	80.687	0.028	0.028	0.000	0.000	0.000	0.000
669	A	773	LEU	0	-0.021	-0.027	76.530	0.048	0.048	0.000	0.000	0.000	0.000
670	A	774	LEU	0	0.004	0.011	79.557	0.049	0.049	0.000	0.000	0.000	0.000
671	A	775	ARG	1	0.781	0.862	81.444	-3.754	-3.754	0.000	0.000	0.000	0.000
672	A	776	LEU	0	-0.013	0.000	77.755	0.012	0.012	0.000	0.000	0.000	0.000
673	A	777	CYS	0	-0.082	-0.036	76.671	0.082	0.082	0.000	0.000	0.000	0.000
674	A	778	VAL	0	0.003	0.009	77.707	0.032	0.032	0.000	0.000	0.000	0.000
675	A	779	LEU	0	0.040	0.035	78.835	0.005	0.005	0.000	0.000	0.000	0.000
676	A	780	TRP	0	0.010	-0.023	69.176	0.009	0.009	0.000	0.000	0.000	0.000
677	A	781	ASP	-1	-0.816	-0.923	75.343	4.405	4.405	0.000	0.000	0.000	0.000
678	A	782	ASP	-1	-0.893	-0.941	76.457	4.062	4.062	0.000	0.000	0.000	0.000
679	A	783	LEU	0	-0.128	-0.065	75.001	-0.003	-0.003	0.000	0.000	0.000	0.000
680	A	784	GLN	0	-0.010	0.000	71.472	0.083	0.083	0.000	0.000	0.000	0.000
681	A	785	SER	0	-0.027	0.002	74.789	0.011	0.011	0.000	0.000	0.000	0.000
682	A	786	SER	0	-0.034	-0.022	77.159	0.032	0.032	0.000	0.000	0.000	0.000
683	A	787	VAL	0	-0.051	-0.034	78.766	-0.047	-0.047	0.000	0.000	0.000	0.000
684	A	788	ILE	0	0.006	-0.050	74.966	0.020	0.020	0.000	0.000	0.000	0.000
685	A	789	PRO	0	-0.221	-0.173	76.821	-0.013	-0.013	0.000	0.000	0.000	0.000
686	A	790	GLU	-1	-0.699	-0.725	76.292	4.150	4.150	0.000	0.000	0.000	0.000
687	A	791	VAL	0	-0.038	-0.045	71.049	0.046	0.046	0.000	0.000	0.000	0.000
688	A	792	ASP	-1	-0.919	-0.938	67.817	4.939	4.939	0.000	0.000	0.000	0.000
689	A	793	ARG	1	0.888	0.982	70.695	-4.539	-4.539	0.000	0.000	0.000	0.000
690	A	794	GLU	-1	-0.909	-0.982	64.640	5.077	5.077	0.000	0.000	0.000	0.000
691	A	795	ALA	0	-0.083	-0.036	69.278	0.015	0.015	0.000	0.000	0.000	0.000
692	A	796	MET	0	0.015	0.022	71.811	-0.070	-0.070	0.000	0.000	0.000	0.000
693	A	797	LEU	0	-0.008	-0.004	69.513	0.075	0.075	0.000	0.000	0.000	0.000
694	A	798	LYS	1	1.016	1.011	64.171	-5.085	-5.085	0.000	0.000	0.000	0.000
695	A	799	PRO	0	0.113	0.039	70.605	0.029	0.029	0.000	0.000	0.000	0.000
696	A	800	ASN	0	0.001	-0.005	66.375	-0.020	-0.020	0.000	0.000	0.000	0.000
697	A	801	ILE	0	-0.042	-0.015	66.604	0.010	0.010	0.000	0.000	0.000	0.000
698	A	802	ILE	0	0.048	0.027	69.969	-0.023	-0.023	0.000	0.000	0.000	0.000
699	A	803	PHE	0	-0.010	0.010	72.794	-0.043	-0.043	0.000	0.000	0.000	0.000
700	A	804	GLN	0	-0.009	-0.010	67.151	-0.009	-0.009	0.000	0.000	0.000	0.000
701	A	805	GLN	0	-0.007	0.004	72.106	0.009	0.009	0.000	0.000	0.000	0.000
702	A	806	LEU	0	0.007	-0.008	73.519	-0.040	-0.040	0.000	0.000	0.000	0.000
703	A	807	LEU	0	-0.037	-0.031	73.351	-0.037	-0.037	0.000	0.000	0.000	0.000
704	A	808	PHE	0	-0.021	-0.005	72.668	-0.024	-0.024	0.000	0.000	0.000	0.000
705	A	809	TRP	0	0.042	0.003	74.745	-0.042	-0.042	0.000	0.000	0.000	0.000
706	A	810	THR	0	-0.026	-0.014	78.036	-0.059	-0.059	0.000	0.000	0.000	0.000
707	A	811	ASP	-1	-0.858	-0.939	75.324	4.312	4.312	0.000	0.000	0.000	0.000
708	A	812	PRO	0	0.047	0.039	77.969	-0.017	-0.017	0.000	0.000	0.000	0.000
709	A	813	ARG	1	0.873	0.919	70.941	-4.531	-4.531	0.000	0.000	0.000	0.000
710	A	814	ASN	0	-0.009	-0.003	73.976	0.051	0.051	0.000	0.000	0.000	0.000
711	A	815	LEU	0	-0.050	0.024	77.367	-0.009	-0.009	0.000	0.000	0.000	0.000
712	A	816	VAL	0	-0.003	-0.021	80.167	0.035	0.035	0.000	0.000	0.000	0.000
713	A	817	ASN	0	-0.045	-0.009	81.540	-0.019	-0.019	0.000	0.000	0.000	0.000
714	A	818	GLN	0	-0.067	-0.056	83.051	-0.098	-0.098	0.000	0.000	0.000	0.000
715	A	819	THR	0	0.148	0.059	79.369	0.002	0.002	0.000	0.000	0.000	0.000
716	A	820	GLY	0	0.005	0.013	79.525	0.007	0.007	0.000	0.000	0.000	0.000
717	A	821	SER	0	-0.005	-0.018	80.260	-0.024	-0.024	0.000	0.000	0.000	0.000
718	A	822	THR	0	-0.050	-0.010	83.963	-0.049	-0.049	0.000	0.000	0.000	0.000
719	A	823	LYS	1	0.784	0.909	84.627	-3.652	-3.652	0.000	0.000	0.000	0.000
720	A	824	LYS	1	0.876	0.958	79.869	-4.064	-4.064	0.000	0.000	0.000	0.000
721	A	825	ASP	-1	-0.775	-0.886	83.149	3.887	3.887	0.000	0.000	0.000	0.000
722	A	826	THR	0	-0.124	-0.087	83.267	-0.031	-0.031	0.000	0.000	0.000	0.000
723	A	827	VAL	0	0.077	0.039	83.932	-0.017	-0.017	0.000	0.000	0.000	0.000
724	A	828	GLN	0	0.038	0.024	75.948	-0.015	-0.015	0.000	0.000	0.000	0.000
725	A	829	LEU	0	-0.041	-0.022	81.494	0.026	0.026	0.000	0.000	0.000	0.000
726	A	830	THR	0	0.054	0.010	82.539	0.006	0.006	0.000	0.000	0.000	0.000
727	A	831	PHE	0	0.034	0.031	77.788	0.009	0.009	0.000	0.000	0.000	0.000
728	A	832	LEU	0	-0.044	-0.023	77.385	0.023	0.023	0.000	0.000	0.000	0.000
729	A	833	ILE	0	0.024	0.016	80.922	0.026	0.026	0.000	0.000	0.000	0.000
730	A	834	ASP	-1	-0.861	-0.921	83.725	3.770	3.770	0.000	0.000	0.000	0.000
731	A	835	VAL	0	-0.071	-0.051	78.167	0.006	0.006	0.000	0.000	0.000	0.000
732	A	836	LEU	0	-0.062	-0.032	78.296	0.044	0.044	0.000	0.000	0.000	0.000
733	A	837	LYS	1	0.955	0.989	81.780	-3.773	-3.773	0.000	0.000	0.000	0.000
734	A	838	ILE	0	-0.054	-0.019	80.646	-0.014	-0.014	0.000	0.000	0.000	0.000
735	A	839	TYR	0	0.064	0.032	75.062	0.041	0.041	0.000	0.000	0.000	0.000
736	A	840	ALA	0	-0.013	-0.003	79.877	-0.036	-0.036	0.000	0.000	0.000	0.000
737	A	841	GLN	0	-0.099	-0.037	81.200	-0.067	-0.067	0.000	0.000	0.000	0.000
738	A	842	ILE	0	-0.021	-0.023	76.522	0.015	0.015	0.000	0.000	0.000	0.000
739	A	843	GLU	-1	-0.850	-0.894	78.130	4.167	4.167	0.000	0.000	0.000	0.000
740	A	844	LYS	1	0.805	0.883	73.139	-4.314	-4.314	0.000	0.000	0.000	0.000
741	A	845	LYS	1	0.822	0.856	71.979	-4.515	-4.515	0.000	0.000	0.000	0.000
742	A	846	GLU	-1	-0.940	-0.944	67.864	4.867	4.867	0.000	0.000	0.000	0.000
743	A	847	ILE	0	0.105	0.032	70.129	0.056	0.056	0.000	0.000	0.000	0.000
744	A	848	LYS	1	0.875	0.940	72.613	-4.423	-4.423	0.000	0.000	0.000	0.000
745	A	849	LYS	1	0.885	0.935	64.169	-5.035	-5.035	0.000	0.000	0.000	0.000
746	A	850	MET	0	-0.099	-0.019	67.840	0.030	0.030	0.000	0.000	0.000	0.000
747	A	851	ILE	0	0.021	0.020	70.036	0.030	0.030	0.000	0.000	0.000	0.000
748	A	852	ILE	0	0.025	0.013	70.840	0.002	0.002	0.000	0.000	0.000	0.000
749	A	853	THR	0	-0.101	-0.075	66.275	0.036	0.036	0.000	0.000	0.000	0.000
750	A	854	ASN	0	-0.086	-0.041	67.490	0.088	0.088	0.000	0.000	0.000	0.000
751	A	855	ILE	0	0.052	0.044	69.546	-0.034	-0.034	0.000	0.000	0.000	0.000
752	A	856	ASN	0	-0.081	-0.053	69.141	0.046	0.046	0.000	0.000	0.000	0.000
753	A	857	ALA	0	-0.023	-0.002	70.208	0.042	0.042	0.000	0.000	0.000	0.000
754	A	858	ILE	0	-0.001	0.017	71.346	-0.025	-0.025	0.000	0.000	0.000	0.000
755	A	859	PHE	0	0.030	0.028	73.691	0.043	0.043	0.000	0.000	0.000	0.000
756	A	860	LEU	0	-0.004	-0.003	75.756	-0.079	-0.079	0.000	0.000	0.000	0.000
757	A	861	SER	0	-0.011	-0.039	76.950	0.038	0.038	0.000	0.000	0.000	0.000
758	A	862	SER	0	0.025	0.018	79.096	-0.081	-0.081	0.000	0.000	0.000	0.000
759	A	863	GLH	0	0.126	0.063	79.856	0.026	0.026	0.000	0.000	0.000	0.000
760	A	864	GLN	0	-0.068	-0.080	81.613	0.009	0.009	0.000	0.000	0.000	0.000
761	A	865	ASP	-1	-0.832	-0.884	84.750	3.671	3.671	0.000	0.000	0.000	0.000
762	A	866	TYR	0	0.016	-0.032	86.813	0.017	0.017	0.000	0.000	0.000	0.000
763	A	867	SER	0	-0.059	-0.027	87.408	0.023	0.023	0.000	0.000	0.000	0.000
764	A	868	THR	0	0.055	0.031	86.434	0.036	0.036	0.000	0.000	0.000	0.000
765	A	869	LEU	0	-0.002	-0.003	80.266	0.030	0.030	0.000	0.000	0.000	0.000
766	A	870	LYS	1	0.859	0.917	83.838	-3.728	-3.728	0.000	0.000	0.000	0.000
767	A	871	GLU	-1	-0.799	-0.893	85.788	3.697	3.697	0.000	0.000	0.000	0.000
768	A	872	LEU	0	-0.045	-0.024	79.591	0.029	0.029	0.000	0.000	0.000	0.000
769	A	873	LEU	0	-0.042	-0.030	80.136	0.040	0.040	0.000	0.000	0.000	0.000
770	A	874	GLU	-1	-0.820	-0.886	82.292	3.739	3.739	0.000	0.000	0.000	0.000
771	A	875	TYR	0	0.008	0.002	83.074	0.023	0.023	0.000	0.000	0.000	0.000
772	A	876	SER	0	-0.074	-0.049	78.121	0.056	0.056	0.000	0.000	0.000	0.000
773	A	877	ASP	-1	-0.906	-0.985	79.207	4.130	4.130	0.000	0.000	0.000	0.000
774	A	878	ASP	-1	-0.888	-0.930	81.017	3.870	3.870	0.000	0.000	0.000	0.000
775	A	879	ILE	0	-0.095	-0.044	77.103	0.031	0.031	0.000	0.000	0.000	0.000
776	A	880	ALA	0	-0.045	-0.009	77.033	0.091	0.091	0.000	0.000	0.000	0.000
777	A	881	GLU	-1	-0.910	-0.949	77.347	4.055	4.055	0.000	0.000	0.000	0.000
778	A	882	ASN	0	-0.066	-0.064	74.381	0.097	0.097	0.000	0.000	0.000	0.000
779	A	883	ASP	-1	-0.755	-0.844	72.629	4.588	4.588	0.000	0.000	0.000	0.000
780	A	884	ASN	0	0.005	-0.015	69.625	0.038	0.038	0.000	0.000	0.000	0.000
781	A	885	LEU	0	-0.028	-0.009	68.366	0.098	0.098	0.000	0.000	0.000	0.000
782	A	886	ASP	-1	-0.715	-0.799	68.877	4.597	4.597	0.000	0.000	0.000	0.000
783	A	887	ASN	0	0.008	-0.014	64.711	0.117	0.117	0.000	0.000	0.000	0.000
784	A	888	VAL	0	0.013	0.010	62.972	-0.049	-0.049	0.000	0.000	0.000	0.000
785	A	889	SER	0	-0.006	-0.038	65.950	0.002	0.002	0.000	0.000	0.000	0.000
786	A	890	LYS	1	0.865	0.933	68.985	-4.631	-4.631	0.000	0.000	0.000	0.000
787	A	891	ASN	0	0.009	-0.003	63.995	-0.075	-0.075	0.000	0.000	0.000	0.000
788	A	892	ALA	0	-0.061	-0.024	67.488	-0.013	-0.013	0.000	0.000	0.000	0.000
789	A	893	LEU	0	0.069	0.031	68.727	-0.017	-0.017	0.000	0.000	0.000	0.000
790	A	894	ASP	-1	-0.802	-0.899	70.295	4.489	4.489	0.000	0.000	0.000	0.000
791	A	895	LYS	1	0.867	0.927	63.666	-5.077	-5.077	0.000	0.000	0.000	0.000
792	A	896	LEU	0	0.009	0.019	70.161	-0.012	-0.012	0.000	0.000	0.000	0.000
793	A	897	ARG	1	0.924	0.954	73.440	-4.369	-4.369	0.000	0.000	0.000	0.000
794	A	898	ASN	0	-0.065	-0.019	71.473	-0.079	-0.079	0.000	0.000	0.000	0.000
795	A	899	ASN	0	-0.012	-0.011	72.242	-0.044	-0.044	0.000	0.000	0.000	0.000
796	A	900	LEU	0	-0.014	0.009	74.063	-0.040	-0.040	0.000	0.000	0.000	0.000
797	A	901	ASN	0	0.058	-0.007	77.249	-0.083	-0.083	0.000	0.000	0.000	0.000
798	A	902	SER	0	-0.006	0.004	75.619	-0.033	-0.033	0.000	0.000	0.000	0.000
799	A	903	LEU	0	-0.110	-0.021	76.479	-0.058	-0.058	0.000	0.000	0.000	0.000
800	A	904	ILE	0	0.027	0.038	80.026	-0.060	-0.060	0.000	0.000	0.000	0.000
801	A	905	GLU	-1	-0.891	-0.945	80.545	4.027	4.027	0.000	0.000	0.000	0.000
802	A	906	GLH	0	-0.046	-0.009	77.720	-0.012	-0.012	0.000	0.000	0.000	0.000
803	A	907	ILE	0	-0.059	-0.029	82.382	-0.042	-0.042	0.000	0.000	0.000	0.000
804	A	908	ASN	0	0.014	0.008	85.472	-0.020	-0.020	0.000	0.000	0.000	0.000
805	A	909	GLU	-1	-0.886	-0.938	85.029	3.723	3.723	0.000	0.000	0.000	0.000
806	A	910	ARG	1	0.815	0.916	83.183	-3.886	-3.886	0.000	0.000	0.000	0.000
807	A	911	SER	0	-0.095	-0.031	87.714	-0.074	-0.074	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(A:8:ASP)