FMO DATABASE

FMODB ID: QVZ2Y

Calculation Name: 1N7O-A-Xray372

Preferred Name: Hyaluronate lyase

Target Type: SINGLE PROTEIN

Ligand Name:

ligand 3-letter code:

PDB ID: 1N7O

Chain ID: A

ChEMBL ID: CHEMBL1795158

UniProt ID: Q54873

Base Structure: X-ray

Registration Date: 2023-09-23

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	720
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-18862583.586436
FMO2-HF: Nuclear repulsion	18573714.756871
FMO2-HF: Total energy	-288868.829566
FMO2-MP2: Total energy	-289712.408576

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:170:VAL)

Summations of interaction energy for fragment #1(A:170:VAL)

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.
-15.628	-9.812	6.875	-5.665	-7.027	-0.05

Interaction energy analysis for fragmet #1(A:170:VAL)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : -0.024 / q_NPA : -0.013

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	172	ASP	-1	-0.795	-0.900	2.997	-6.273	-3.205	0.238	-1.427	-1.879	-0.004
4	A	173	THR	0	0.040	0.011	4.637	0.242	0.289	-0.001	-0.007	-0.039	0.000
5	A	174	TYR	0	-0.068	-0.052	5.766	0.239	0.239	0.000	0.000	0.000	0.000
6	A	175	THR	0	0.062	0.024	4.503	-0.041	0.070	-0.001	-0.025	-0.085	0.000
7	A	176	ASP	-1	-0.901	-0.943	7.600	0.120	0.120	0.000	0.000	0.000	0.000
8	A	177	ARG	1	0.794	0.887	10.252	0.358	0.358	0.000	0.000	0.000	0.000
9	A	178	LEU	0	-0.013	-0.006	7.695	0.075	0.075	0.000	0.000	0.000	0.000
10	A	179	ASP	-1	-0.801	-0.889	10.572	0.479	0.479	0.000	0.000	0.000	0.000
11	A	180	ASP	-1	-0.869	-0.918	12.750	-0.077	-0.077	0.000	0.000	0.000	0.000
12	A	181	TRP	0	-0.036	-0.038	14.258	0.015	0.015	0.000	0.000	0.000	0.000
13	A	182	ASN	0	0.009	0.013	11.847	-0.047	-0.047	0.000	0.000	0.000	0.000
14	A	183	GLY	0	-0.004	-0.008	15.959	0.019	0.019	0.000	0.000	0.000	0.000
15	A	184	ILE	0	-0.055	-0.027	18.758	0.004	0.004	0.000	0.000	0.000	0.000
16	A	185	ILE	0	-0.052	-0.024	16.503	0.005	0.005	0.000	0.000	0.000	0.000
17	A	186	ALA	0	-0.016	-0.009	19.146	0.003	0.003	0.000	0.000	0.000	0.000
18	A	187	GLY	0	0.021	0.014	19.972	0.000	0.000	0.000	0.000	0.000	0.000
19	A	188	ASN	0	-0.017	-0.016	18.580	-0.026	-0.026	0.000	0.000	0.000	0.000
20	A	189	GLN	0	0.032	0.020	17.021	0.007	0.007	0.000	0.000	0.000	0.000
21	A	190	TYR	0	-0.063	-0.035	21.026	-0.006	-0.006	0.000	0.000	0.000	0.000
22	A	191	TYR	0	-0.009	0.002	24.058	-0.016	-0.016	0.000	0.000	0.000	0.000
23	A	192	ASP	-1	-0.809	-0.912	26.012	0.094	0.094	0.000	0.000	0.000	0.000
24	A	193	SER	0	-0.061	-0.035	29.304	-0.008	-0.008	0.000	0.000	0.000	0.000
25	A	194	LYS	1	0.921	0.951	31.147	-0.080	-0.080	0.000	0.000	0.000	0.000
26	A	195	ASN	0	0.026	0.028	31.892	-0.011	-0.011	0.000	0.000	0.000	0.000
27	A	196	ASP	-1	-0.858	-0.936	33.457	0.048	0.048	0.000	0.000	0.000	0.000
28	A	197	GLN	0	0.002	0.003	34.247	0.001	0.001	0.000	0.000	0.000	0.000
29	A	198	MET	0	-0.040	-0.001	28.538	0.001	0.001	0.000	0.000	0.000	0.000
30	A	199	ALA	0	0.050	0.027	30.276	0.003	0.003	0.000	0.000	0.000	0.000
31	A	200	LYS	1	0.883	0.939	32.142	-0.027	-0.027	0.000	0.000	0.000	0.000
32	A	201	LEU	0	-0.024	0.001	27.120	-0.002	-0.002	0.000	0.000	0.000	0.000
33	A	202	ASN	0	0.055	0.028	27.081	0.003	0.003	0.000	0.000	0.000	0.000
34	A	203	GLN	0	0.011	-0.005	28.758	0.003	0.003	0.000	0.000	0.000	0.000
35	A	204	GLU	-1	-0.816	-0.873	30.754	0.016	0.016	0.000	0.000	0.000	0.000
36	A	205	LEU	0	-0.009	-0.013	24.606	-0.004	-0.004	0.000	0.000	0.000	0.000
37	A	206	GLU	-1	-0.786	-0.866	27.065	0.113	0.113	0.000	0.000	0.000	0.000
38	A	207	GLY	0	0.005	0.002	28.874	0.001	0.001	0.000	0.000	0.000	0.000
39	A	208	LYS	1	0.878	0.945	27.936	-0.020	-0.020	0.000	0.000	0.000	0.000
40	A	209	VAL	0	0.013	0.022	24.369	-0.005	-0.005	0.000	0.000	0.000	0.000
41	A	210	ALA	0	-0.017	-0.007	27.196	0.000	0.000	0.000	0.000	0.000	0.000
42	A	211	ASP	-1	-0.875	-0.929	30.213	0.030	0.030	0.000	0.000	0.000	0.000
43	A	212	SER	0	-0.074	-0.042	27.198	-0.009	-0.009	0.000	0.000	0.000	0.000
44	A	213	LEU	0	-0.003	-0.005	24.811	-0.004	-0.004	0.000	0.000	0.000	0.000
45	A	214	SER	0	-0.059	-0.022	28.687	-0.002	-0.002	0.000	0.000	0.000	0.000
46	A	215	SER	0	-0.034	-0.025	31.573	-0.005	-0.005	0.000	0.000	0.000	0.000
47	A	216	ILE	0	-0.095	-0.023	25.619	-0.007	-0.007	0.000	0.000	0.000	0.000
48	A	217	SER	0	-0.029	-0.017	29.997	0.004	0.004	0.000	0.000	0.000	0.000
49	A	218	SER	0	0.040	0.013	29.231	0.000	0.000	0.000	0.000	0.000	0.000
50	A	219	GLN	0	-0.028	-0.027	30.480	-0.008	-0.008	0.000	0.000	0.000	0.000
51	A	220	ALA	0	0.023	0.013	31.416	-0.004	-0.004	0.000	0.000	0.000	0.000
52	A	221	ASP	-1	-0.849	-0.888	24.935	0.008	0.008	0.000	0.000	0.000	0.000
53	A	222	ARG	1	0.799	0.873	23.361	-0.001	-0.001	0.000	0.000	0.000	0.000
54	A	223	ILE	0	-0.049	-0.046	29.818	-0.005	-0.005	0.000	0.000	0.000	0.000
55	A	224	TYR	0	0.008	0.019	30.233	-0.007	-0.007	0.000	0.000	0.000	0.000
56	A	225	LEU	0	0.032	0.013	24.141	0.004	0.004	0.000	0.000	0.000	0.000
57	A	226	TRP	0	0.068	0.009	24.593	0.004	0.004	0.000	0.000	0.000	0.000
58	A	227	GLU	-1	-0.918	-0.960	31.212	-0.015	-0.015	0.000	0.000	0.000	0.000
59	A	228	LYN	0	0.065	0.053	31.729	-0.003	-0.003	0.000	0.000	0.000	0.000
60	A	229	PHE	0	-0.073	-0.042	30.115	-0.003	-0.003	0.000	0.000	0.000	0.000
61	A	230	SER	0	0.022	0.014	31.276	-0.006	-0.006	0.000	0.000	0.000	0.000
62	A	231	ASN	0	-0.006	0.001	33.482	-0.007	-0.007	0.000	0.000	0.000	0.000
63	A	232	TYR	0	0.075	0.023	29.920	-0.004	-0.004	0.000	0.000	0.000	0.000
64	A	233	LYS	1	0.968	0.985	31.813	0.045	0.045	0.000	0.000	0.000	0.000
65	A	234	THR	0	-0.050	-0.019	34.497	-0.001	-0.001	0.000	0.000	0.000	0.000
66	A	235	SER	0	-0.007	-0.027	30.398	0.003	0.003	0.000	0.000	0.000	0.000
67	A	236	ALA	0	0.017	0.010	29.695	-0.004	-0.004	0.000	0.000	0.000	0.000
68	A	237	ASN	0	-0.012	-0.015	30.039	0.005	0.005	0.000	0.000	0.000	0.000
69	A	238	LEU	0	-0.015	0.013	25.897	0.004	0.004	0.000	0.000	0.000	0.000
70	A	239	THR	0	-0.017	-0.007	25.204	0.004	0.004	0.000	0.000	0.000	0.000
71	A	240	ALA	0	-0.017	-0.002	25.509	0.004	0.004	0.000	0.000	0.000	0.000
72	A	241	THR	0	0.001	-0.006	24.397	0.012	0.012	0.000	0.000	0.000	0.000
73	A	242	TYR	0	0.045	-0.012	19.153	0.009	0.009	0.000	0.000	0.000	0.000
74	A	243	ARG	1	0.925	0.961	21.634	0.072	0.072	0.000	0.000	0.000	0.000
75	A	244	LYS	1	0.910	0.964	23.605	-0.001	-0.001	0.000	0.000	0.000	0.000
76	A	245	LEU	0	-0.029	-0.013	19.581	0.016	0.016	0.000	0.000	0.000	0.000
77	A	246	GLU	-1	-0.821	-0.903	18.735	-0.021	-0.021	0.000	0.000	0.000	0.000
78	A	247	GLU	-1	-0.922	-0.972	19.977	0.037	0.037	0.000	0.000	0.000	0.000
79	A	248	MET	0	-0.002	-0.008	20.735	0.018	0.018	0.000	0.000	0.000	0.000
80	A	249	ALA	0	0.013	0.009	16.105	0.031	0.031	0.000	0.000	0.000	0.000
81	A	250	LYS	1	0.837	0.928	17.630	0.030	0.030	0.000	0.000	0.000	0.000
82	A	251	GLN	0	0.006	-0.003	19.757	0.020	0.020	0.000	0.000	0.000	0.000
83	A	252	VAL	0	0.015	0.015	16.579	0.018	0.018	0.000	0.000	0.000	0.000
84	A	253	THR	0	-0.032	-0.032	14.596	0.041	0.041	0.000	0.000	0.000	0.000
85	A	254	ASN	0	-0.045	-0.018	17.683	0.014	0.014	0.000	0.000	0.000	0.000
86	A	255	PRO	0	0.035	-0.006	20.002	-0.010	-0.010	0.000	0.000	0.000	0.000
87	A	256	SER	0	-0.051	-0.024	22.290	-0.011	-0.011	0.000	0.000	0.000	0.000
88	A	257	SER	0	-0.076	-0.030	23.515	-0.015	-0.015	0.000	0.000	0.000	0.000
89	A	258	ARG	1	0.868	0.926	25.124	-0.072	-0.072	0.000	0.000	0.000	0.000
90	A	259	TYR	0	0.009	-0.013	23.361	-0.004	-0.004	0.000	0.000	0.000	0.000
91	A	260	TYR	0	-0.027	0.014	17.565	0.022	0.022	0.000	0.000	0.000	0.000
92	A	261	GLN	0	-0.057	-0.037	15.609	-0.027	-0.027	0.000	0.000	0.000	0.000
93	A	262	ASP	-1	-0.825	-0.905	19.132	0.168	0.168	0.000	0.000	0.000	0.000
94	A	263	GLU	-1	-0.892	-0.942	20.099	0.172	0.172	0.000	0.000	0.000	0.000
95	A	264	THR	0	-0.007	-0.014	20.813	-0.012	-0.012	0.000	0.000	0.000	0.000
96	A	265	VAL	0	-0.025	-0.002	19.968	-0.017	-0.017	0.000	0.000	0.000	0.000
97	A	266	VAL	0	0.016	0.007	15.295	-0.015	-0.015	0.000	0.000	0.000	0.000
98	A	267	ARG	1	0.855	0.916	17.435	-0.113	-0.113	0.000	0.000	0.000	0.000
99	A	268	THR	0	-0.004	-0.004	19.320	-0.035	-0.035	0.000	0.000	0.000	0.000
100	A	269	VAL	0	0.017	0.003	16.226	-0.034	-0.034	0.000	0.000	0.000	0.000
101	A	270	ARG	1	0.769	0.854	10.892	-0.247	-0.247	0.000	0.000	0.000	0.000
102	A	271	ASP	-1	-0.790	-0.893	16.788	0.027	0.027	0.000	0.000	0.000	0.000
103	A	272	SER	0	-0.046	-0.043	20.209	-0.029	-0.029	0.000	0.000	0.000	0.000
104	A	273	MET	0	-0.040	-0.009	15.059	-0.019	-0.019	0.000	0.000	0.000	0.000
105	A	274	GLU	-1	-0.768	-0.843	17.394	-0.192	-0.192	0.000	0.000	0.000	0.000
106	A	275	TRP	0	-0.031	-0.013	19.210	-0.018	-0.018	0.000	0.000	0.000	0.000
107	A	276	MET	0	0.018	-0.002	21.657	-0.009	-0.009	0.000	0.000	0.000	0.000
108	A	277	HIS	0	0.048	0.055	18.395	-0.009	-0.009	0.000	0.000	0.000	0.000
109	A	278	LYS	1	0.909	0.959	20.961	0.081	0.081	0.000	0.000	0.000	0.000
110	A	279	HIS	0	-0.050	-0.022	23.409	0.004	0.004	0.000	0.000	0.000	0.000
111	A	280	VAL	0	-0.057	-0.029	25.130	0.005	0.005	0.000	0.000	0.000	0.000
112	A	281	TYR	0	-0.053	-0.044	20.464	-0.004	-0.004	0.000	0.000	0.000	0.000
113	A	282	ASN	0	0.050	0.013	21.540	-0.009	-0.009	0.000	0.000	0.000	0.000
114	A	283	SER	0	0.059	0.009	20.445	0.011	0.011	0.000	0.000	0.000	0.000
115	A	284	GLU	-1	-0.901	-0.943	23.135	-0.203	-0.203	0.000	0.000	0.000	0.000
116	A	285	LYS	1	0.799	0.926	25.963	0.122	0.122	0.000	0.000	0.000	0.000
117	A	286	SER	0	0.013	-0.004	27.737	-0.015	-0.015	0.000	0.000	0.000	0.000
118	A	287	ILE	0	-0.014	0.001	28.964	0.006	0.006	0.000	0.000	0.000	0.000
119	A	288	VAL	0	-0.010	0.008	30.875	0.007	0.007	0.000	0.000	0.000	0.000
120	A	289	GLY	0	0.008	0.000	32.682	0.001	0.001	0.000	0.000	0.000	0.000
121	A	290	ASN	0	-0.025	-0.035	32.142	-0.004	-0.004	0.000	0.000	0.000	0.000
122	A	291	TRP	0	0.086	0.023	29.027	-0.003	-0.003	0.000	0.000	0.000	0.000
123	A	292	TRP	0	0.008	0.016	27.929	-0.009	-0.009	0.000	0.000	0.000	0.000
124	A	293	ASP	-1	-0.745	-0.864	27.479	-0.089	-0.089	0.000	0.000	0.000	0.000
125	A	294	TYR	0	0.006	0.009	25.672	-0.008	-0.008	0.000	0.000	0.000	0.000
126	A	295	GLU	-1	-0.766	-0.883	24.227	-0.171	-0.171	0.000	0.000	0.000	0.000
127	A	296	ILE	0	0.001	0.008	23.714	-0.015	-0.015	0.000	0.000	0.000	0.000
128	A	297	GLY	0	-0.033	-0.015	23.240	-0.004	-0.004	0.000	0.000	0.000	0.000
129	A	298	THR	0	-0.011	-0.020	21.663	0.011	0.011	0.000	0.000	0.000	0.000
130	A	299	PRO	0	-0.003	0.003	19.430	-0.001	-0.001	0.000	0.000	0.000	0.000
131	A	300	ARG	1	0.880	0.940	18.334	0.095	0.095	0.000	0.000	0.000	0.000
132	A	301	ALA	0	0.007	0.021	18.756	0.002	0.002	0.000	0.000	0.000	0.000
133	A	302	ILE	0	0.012	0.020	15.394	0.024	0.024	0.000	0.000	0.000	0.000
134	A	303	ASN	0	-0.003	-0.012	14.189	-0.037	-0.037	0.000	0.000	0.000	0.000
135	A	304	ASN	0	-0.013	-0.014	13.777	-0.027	-0.027	0.000	0.000	0.000	0.000
136	A	305	THR	0	-0.009	-0.020	15.036	0.051	0.051	0.000	0.000	0.000	0.000
137	A	306	LEU	0	-0.032	-0.020	10.558	0.068	0.068	0.000	0.000	0.000	0.000
138	A	307	SER	0	-0.004	-0.013	10.228	0.036	0.036	0.000	0.000	0.000	0.000
139	A	308	LEU	0	-0.042	-0.011	10.948	0.114	0.114	0.000	0.000	0.000	0.000
140	A	309	MET	0	-0.040	-0.011	12.035	0.073	0.073	0.000	0.000	0.000	0.000
141	A	310	LYS	1	0.804	0.897	6.651	-0.693	-0.693	0.000	0.000	0.000	0.000
142	A	311	GLU	-1	-0.873	-0.936	6.738	1.765	1.765	0.000	0.000	0.000	0.000
143	A	312	TYR	0	-0.006	0.003	8.278	0.019	0.019	0.000	0.000	0.000	0.000
144	A	313	PHE	0	-0.044	-0.018	8.441	-0.245	-0.245	0.000	0.000	0.000	0.000
145	A	314	SER	0	0.009	-0.009	5.595	0.373	0.373	0.000	0.000	0.000	0.000
146	A	315	ASP	-1	-0.774	-0.921	2.160	-17.514	-16.079	6.230	-3.828	-3.838	-0.046
147	A	316	GLU	-1	-0.924	-0.968	5.250	-1.475	-1.395	-0.001	-0.001	-0.077	0.000
148	A	317	GLU	-1	-0.836	-0.869	8.579	0.188	0.188	0.000	0.000	0.000	0.000
149	A	318	ILE	0	0.032	0.025	5.757	0.177	0.177	0.000	0.000	0.000	0.000
150	A	319	LYS	1	0.878	0.946	8.869	1.558	1.558	0.000	0.000	0.000	0.000
151	A	320	LYS	1	0.864	0.929	10.886	0.370	0.370	0.000	0.000	0.000	0.000
152	A	321	TYR	0	-0.046	-0.062	12.510	0.080	0.080	0.000	0.000	0.000	0.000
153	A	322	THR	0	0.002	-0.013	11.972	0.029	0.029	0.000	0.000	0.000	0.000
154	A	323	ASP	-1	-0.842	-0.905	14.658	-0.562	-0.562	0.000	0.000	0.000	0.000
155	A	324	VAL	0	-0.041	-0.008	16.605	0.033	0.033	0.000	0.000	0.000	0.000
156	A	325	ILE	0	0.008	0.001	15.978	0.032	0.032	0.000	0.000	0.000	0.000
157	A	326	GLH	0	-0.057	-0.063	16.504	0.039	0.039	0.000	0.000	0.000	0.000
158	A	327	LYS	1	0.840	0.934	19.447	0.205	0.205	0.000	0.000	0.000	0.000
159	A	328	PHE	0	-0.044	-0.038	22.421	0.027	0.027	0.000	0.000	0.000	0.000
160	A	329	VAL	0	-0.045	-0.015	21.766	0.021	0.021	0.000	0.000	0.000	0.000
161	A	330	PRO	0	0.036	0.029	21.664	-0.025	-0.025	0.000	0.000	0.000	0.000
162	A	331	ASP	-1	-0.800	-0.868	22.324	-0.203	-0.203	0.000	0.000	0.000	0.000
163	A	332	PRO	0	0.091	0.025	22.493	0.015	0.015	0.000	0.000	0.000	0.000
164	A	333	GLU	-1	-0.860	-0.906	24.441	-0.138	-0.138	0.000	0.000	0.000	0.000
165	A	334	HIS	1	0.745	0.859	27.695	0.174	0.174	0.000	0.000	0.000	0.000
166	A	335	PHE	0	0.045	0.031	25.542	-0.010	-0.010	0.000	0.000	0.000	0.000
167	A	336	ARG	1	0.922	0.946	29.302	0.111	0.111	0.000	0.000	0.000	0.000
168	A	337	LYS	1	0.866	0.927	27.999	0.185	0.185	0.000	0.000	0.000	0.000
169	A	338	THR	0	0.017	0.007	27.140	0.001	0.001	0.000	0.000	0.000	0.000
170	A	339	THR	0	-0.078	-0.033	30.180	0.010	0.010	0.000	0.000	0.000	0.000
171	A	340	ASP	-1	-0.835	-0.920	33.636	-0.103	-0.103	0.000	0.000	0.000	0.000
172	A	341	ASN	0	-0.145	-0.079	36.181	0.006	0.006	0.000	0.000	0.000	0.000
173	A	342	PRO	0	0.001	0.003	32.470	0.002	0.002	0.000	0.000	0.000	0.000
174	A	343	VAL	0	-0.010	-0.001	32.695	0.009	0.009	0.000	0.000	0.000	0.000
175	A	344	LYS	1	0.832	0.902	31.883	0.122	0.122	0.000	0.000	0.000	0.000
176	A	345	ALA	0	-0.016	-0.004	28.906	0.007	0.007	0.000	0.000	0.000	0.000
177	A	346	LEU	0	0.022	0.002	30.931	-0.002	-0.002	0.000	0.000	0.000	0.000
178	A	347	GLY	0	0.077	0.037	32.451	0.001	0.001	0.000	0.000	0.000	0.000
179	A	348	GLY	0	0.029	0.009	30.921	-0.008	-0.008	0.000	0.000	0.000	0.000
180	A	349	ASN	0	-0.017	-0.021	29.104	-0.006	-0.006	0.000	0.000	0.000	0.000
181	A	350	LEU	0	-0.027	0.005	27.101	-0.012	-0.012	0.000	0.000	0.000	0.000
182	A	351	VAL	0	0.001	0.016	25.965	-0.016	-0.016	0.000	0.000	0.000	0.000
183	A	352	ASP	-1	-0.788	-0.892	24.389	-0.132	-0.132	0.000	0.000	0.000	0.000
184	A	353	MET	0	-0.023	0.010	23.116	-0.023	-0.023	0.000	0.000	0.000	0.000
185	A	354	GLY	0	0.034	0.010	21.341	-0.030	-0.030	0.000	0.000	0.000	0.000
186	A	355	ARG	1	0.760	0.872	19.581	0.082	0.082	0.000	0.000	0.000	0.000
187	A	356	VAL	0	-0.045	-0.007	18.737	-0.010	-0.010	0.000	0.000	0.000	0.000
188	A	357	LYS	1	0.884	0.907	17.432	0.320	0.320	0.000	0.000	0.000	0.000
189	A	358	VAL	0	-0.016	0.007	16.283	-0.053	-0.053	0.000	0.000	0.000	0.000
190	A	359	ILE	0	-0.012	0.001	13.713	-0.073	-0.073	0.000	0.000	0.000	0.000
191	A	360	ALA	0	0.048	0.028	12.601	-0.092	-0.092	0.000	0.000	0.000	0.000
192	A	361	GLY	0	0.023	0.010	12.149	-0.134	-0.134	0.000	0.000	0.000	0.000
193	A	362	LEU	0	-0.065	-0.029	10.586	-0.152	-0.152	0.000	0.000	0.000	0.000
194	A	363	LEU	0	-0.037	-0.017	8.136	-0.305	-0.305	0.000	0.000	0.000	0.000
195	A	364	ARG	1	0.789	0.891	7.385	0.269	0.269	0.000	0.000	0.000	0.000
196	A	365	LYS	1	0.810	0.908	2.528	5.827	6.902	0.410	-0.377	-1.109	0.000
197	A	366	ASP	-1	-0.852	-0.910	8.225	-0.550	-0.550	0.000	0.000	0.000	0.000
198	A	367	ASP	-1	-0.768	-0.877	11.873	-0.551	-0.551	0.000	0.000	0.000	0.000
199	A	368	GLN	0	-0.017	0.010	13.879	0.116	0.116	0.000	0.000	0.000	0.000
200	A	369	GLU	-1	-0.759	-0.827	15.140	-0.459	-0.459	0.000	0.000	0.000	0.000
201	A	370	ILE	0	0.010	0.016	12.053	0.073	0.073	0.000	0.000	0.000	0.000
202	A	371	SER	0	-0.053	-0.041	16.558	0.066	0.066	0.000	0.000	0.000	0.000
203	A	372	SER	0	-0.042	-0.032	19.251	0.045	0.045	0.000	0.000	0.000	0.000
204	A	373	THR	0	0.003	-0.036	19.406	0.041	0.041	0.000	0.000	0.000	0.000
205	A	374	ILE	0	-0.006	-0.001	18.480	0.029	0.029	0.000	0.000	0.000	0.000
206	A	375	ARG	1	0.798	0.878	22.411	0.222	0.222	0.000	0.000	0.000	0.000
207	A	376	SER	0	-0.039	-0.037	24.699	0.025	0.025	0.000	0.000	0.000	0.000
208	A	377	ILE	0	0.046	0.022	22.621	0.017	0.017	0.000	0.000	0.000	0.000
209	A	378	GLU	-1	-0.778	-0.856	25.897	-0.155	-0.155	0.000	0.000	0.000	0.000
210	A	379	GLN	0	-0.066	-0.039	28.688	0.020	0.020	0.000	0.000	0.000	0.000
211	A	380	VAL	0	-0.017	-0.004	29.397	0.010	0.010	0.000	0.000	0.000	0.000
212	A	381	PHE	0	0.000	0.004	27.925	0.008	0.008	0.000	0.000	0.000	0.000
213	A	382	LYS	1	0.914	0.974	33.438	0.116	0.116	0.000	0.000	0.000	0.000
214	A	383	LEU	0	0.012	0.010	36.404	0.000	0.000	0.000	0.000	0.000	0.000
215	A	384	VAL	0	-0.049	-0.023	38.739	-0.002	-0.002	0.000	0.000	0.000	0.000
216	A	385	ASP	-1	-0.884	-0.947	41.413	-0.050	-0.050	0.000	0.000	0.000	0.000
217	A	386	GLN	0	-0.027	-0.026	43.534	0.002	0.002	0.000	0.000	0.000	0.000
218	A	387	GLY	0	0.040	0.035	41.789	-0.003	-0.003	0.000	0.000	0.000	0.000
219	A	388	GLU	-1	-0.856	-0.910	36.817	-0.083	-0.083	0.000	0.000	0.000	0.000
220	A	389	GLY	0	0.022	0.013	37.164	-0.004	-0.004	0.000	0.000	0.000	0.000
221	A	390	PHE	0	0.025	0.000	34.598	0.006	0.006	0.000	0.000	0.000	0.000
222	A	391	TYR	0	0.019	-0.009	39.613	-0.001	-0.001	0.000	0.000	0.000	0.000
223	A	392	GLN	0	0.047	0.009	43.111	0.003	0.003	0.000	0.000	0.000	0.000
224	A	393	ASP	-1	-0.803	-0.899	44.981	-0.043	-0.043	0.000	0.000	0.000	0.000
225	A	394	GLY	0	0.012	-0.002	43.380	0.003	0.003	0.000	0.000	0.000	0.000
226	A	395	SER	0	-0.014	-0.015	43.086	0.000	0.000	0.000	0.000	0.000	0.000
227	A	396	TYR	0	-0.047	-0.064	35.306	-0.004	-0.004	0.000	0.000	0.000	0.000
228	A	397	ILE	0	-0.012	0.015	40.738	0.003	0.003	0.000	0.000	0.000	0.000
229	A	398	ASP	-1	-0.808	-0.900	35.732	-0.088	-0.088	0.000	0.000	0.000	0.000
230	A	399	HIS	1	0.817	0.872	35.654	0.076	0.076	0.000	0.000	0.000	0.000
231	A	400	THR	0	-0.031	-0.020	39.702	0.004	0.004	0.000	0.000	0.000	0.000
232	A	401	ASN	0	-0.012	-0.013	42.058	-0.001	-0.001	0.000	0.000	0.000	0.000
233	A	402	VAL	0	0.016	0.028	42.264	0.004	0.004	0.000	0.000	0.000	0.000
234	A	403	ALA	0	0.042	0.014	42.509	-0.003	-0.003	0.000	0.000	0.000	0.000
235	A	404	TYR	0	-0.041	-0.052	39.027	0.002	0.002	0.000	0.000	0.000	0.000
236	A	405	THR	0	0.030	0.003	38.688	-0.003	-0.003	0.000	0.000	0.000	0.000
237	A	406	GLY	0	0.022	0.012	37.955	-0.002	-0.002	0.000	0.000	0.000	0.000
238	A	407	ALA	0	-0.059	-0.021	36.605	0.003	0.003	0.000	0.000	0.000	0.000
239	A	408	TYR	0	0.017	0.001	33.128	-0.001	-0.001	0.000	0.000	0.000	0.000
240	A	409	GLY	0	0.056	0.034	33.625	-0.006	-0.006	0.000	0.000	0.000	0.000
241	A	410	ASN	0	0.042	0.009	33.809	-0.003	-0.003	0.000	0.000	0.000	0.000
242	A	411	VAL	0	-0.024	-0.002	28.747	-0.002	-0.002	0.000	0.000	0.000	0.000
243	A	412	LEU	0	-0.036	0.002	29.103	-0.007	-0.007	0.000	0.000	0.000	0.000
244	A	413	ILE	0	0.025	0.008	29.383	-0.006	-0.006	0.000	0.000	0.000	0.000
245	A	414	ASP	-1	-0.770	-0.851	27.671	-0.061	-0.061	0.000	0.000	0.000	0.000
246	A	415	GLY	0	0.010	-0.019	25.345	0.000	0.000	0.000	0.000	0.000	0.000
247	A	416	LEU	0	0.004	-0.002	24.459	-0.011	-0.011	0.000	0.000	0.000	0.000
248	A	417	SER	0	-0.050	-0.037	25.290	-0.004	-0.004	0.000	0.000	0.000	0.000
249	A	418	GLN	0	0.008	0.006	22.090	-0.008	-0.008	0.000	0.000	0.000	0.000
250	A	419	LEU	0	0.022	0.003	19.529	-0.006	-0.006	0.000	0.000	0.000	0.000
251	A	420	LEU	0	-0.006	-0.002	20.862	-0.018	-0.018	0.000	0.000	0.000	0.000
252	A	421	PRO	0	-0.008	-0.005	20.855	-0.009	-0.009	0.000	0.000	0.000	0.000
253	A	422	VAL	0	0.023	0.018	15.572	-0.006	-0.006	0.000	0.000	0.000	0.000
254	A	423	ILE	0	0.033	0.010	17.343	-0.029	-0.029	0.000	0.000	0.000	0.000
255	A	424	GLN	0	-0.023	-0.006	19.071	-0.029	-0.029	0.000	0.000	0.000	0.000
256	A	425	LYS	1	0.943	0.986	15.931	0.115	0.115	0.000	0.000	0.000	0.000
257	A	426	THR	0	-0.037	-0.023	14.699	-0.043	-0.043	0.000	0.000	0.000	0.000
258	A	427	LYS	1	0.873	0.921	13.892	0.475	0.475	0.000	0.000	0.000	0.000
259	A	428	ASN	0	-0.071	-0.047	16.534	-0.009	-0.009	0.000	0.000	0.000	0.000
260	A	429	PRO	0	0.011	0.033	19.563	0.003	0.003	0.000	0.000	0.000	0.000
261	A	430	ILE	0	0.021	-0.006	21.635	0.004	0.004	0.000	0.000	0.000	0.000
262	A	431	ASP	-1	-0.812	-0.875	25.119	-0.110	-0.110	0.000	0.000	0.000	0.000
263	A	432	LYS	1	0.943	0.947	28.162	0.066	0.066	0.000	0.000	0.000	0.000
264	A	433	ASP	-1	-0.851	-0.918	30.217	-0.084	-0.084	0.000	0.000	0.000	0.000
265	A	434	LYS	1	0.785	0.851	30.437	0.102	0.102	0.000	0.000	0.000	0.000
266	A	435	MET	0	0.009	0.020	26.965	-0.003	-0.003	0.000	0.000	0.000	0.000
267	A	436	GLN	0	-0.009	-0.004	31.241	0.005	0.005	0.000	0.000	0.000	0.000
268	A	437	THR	0	-0.035	-0.022	34.748	0.006	0.006	0.000	0.000	0.000	0.000
269	A	438	MET	0	-0.005	0.005	29.500	0.001	0.001	0.000	0.000	0.000	0.000
270	A	439	TYR	0	-0.012	-0.009	32.348	0.003	0.003	0.000	0.000	0.000	0.000
271	A	440	HIS	0	0.013	0.016	37.208	0.005	0.005	0.000	0.000	0.000	0.000
272	A	441	TRP	0	0.041	0.017	31.360	0.003	0.003	0.000	0.000	0.000	0.000
273	A	442	ILE	0	0.005	0.003	34.461	0.003	0.003	0.000	0.000	0.000	0.000
274	A	443	ASP	-1	-0.795	-0.857	38.649	-0.032	-0.032	0.000	0.000	0.000	0.000
275	A	444	LYS	1	0.866	0.938	42.036	0.042	0.042	0.000	0.000	0.000	0.000
276	A	445	SER	0	-0.046	-0.037	39.912	0.000	0.000	0.000	0.000	0.000	0.000
277	A	446	PHE	0	-0.032	-0.024	35.546	0.001	0.001	0.000	0.000	0.000	0.000
278	A	447	ALA	0	0.031	0.022	40.711	0.003	0.003	0.000	0.000	0.000	0.000
279	A	448	PRO	0	-0.045	-0.028	42.894	0.003	0.003	0.000	0.000	0.000	0.000
280	A	449	LEU	0	-0.005	0.000	42.354	0.002	0.002	0.000	0.000	0.000	0.000
281	A	450	LEU	0	0.016	0.023	39.762	0.001	0.001	0.000	0.000	0.000	0.000
282	A	451	VAL	0	0.008	-0.005	44.273	0.001	0.001	0.000	0.000	0.000	0.000
283	A	452	ASN	0	0.011	0.009	47.092	0.000	0.000	0.000	0.000	0.000	0.000
284	A	453	GLY	0	0.049	0.020	43.097	0.001	0.001	0.000	0.000	0.000	0.000
285	A	454	GLU	-1	-0.908	-0.950	42.513	-0.017	-0.017	0.000	0.000	0.000	0.000
286	A	455	LEU	0	-0.041	-0.011	38.838	-0.001	-0.001	0.000	0.000	0.000	0.000
287	A	456	MET	0	-0.018	-0.006	42.848	-0.001	-0.001	0.000	0.000	0.000	0.000
288	A	457	ASP	-1	-0.698	-0.829	44.631	-0.028	-0.028	0.000	0.000	0.000	0.000
289	A	458	MET	0	-0.045	0.005	45.373	-0.003	-0.003	0.000	0.000	0.000	0.000
290	A	459	SER	0	-0.040	-0.030	42.782	-0.003	-0.003	0.000	0.000	0.000	0.000
291	A	460	ARG	1	0.787	0.876	39.809	0.026	0.026	0.000	0.000	0.000	0.000
292	A	461	GLY	0	0.068	0.026	40.927	-0.002	-0.002	0.000	0.000	0.000	0.000
293	A	462	ARG	1	0.805	0.879	35.980	0.061	0.061	0.000	0.000	0.000	0.000
294	A	463	SER	0	-0.028	-0.018	38.466	0.001	0.001	0.000	0.000	0.000	0.000
295	A	464	ILE	0	-0.003	0.018	40.244	0.002	0.002	0.000	0.000	0.000	0.000
296	A	465	SER	0	-0.027	-0.014	42.611	0.002	0.002	0.000	0.000	0.000	0.000
297	A	466	ARG	1	0.827	0.877	35.898	0.047	0.047	0.000	0.000	0.000	0.000
298	A	467	ALA	0	0.066	0.024	40.853	0.001	0.001	0.000	0.000	0.000	0.000
299	A	468	ASN	0	-0.049	-0.018	35.025	0.000	0.000	0.000	0.000	0.000	0.000
300	A	469	SER	0	-0.037	-0.021	37.103	-0.001	-0.001	0.000	0.000	0.000	0.000
301	A	470	GLU	-1	-0.721	-0.864	38.931	-0.016	-0.016	0.000	0.000	0.000	0.000
302	A	471	GLY	0	0.101	0.048	40.957	-0.001	-0.001	0.000	0.000	0.000	0.000
303	A	472	HIS	1	0.837	0.887	41.651	0.010	0.010	0.000	0.000	0.000	0.000
304	A	473	VAL	0	-0.013	0.014	36.466	0.001	0.001	0.000	0.000	0.000	0.000
305	A	474	ALA	0	-0.016	-0.017	36.824	-0.002	-0.002	0.000	0.000	0.000	0.000
306	A	475	ALA	0	0.040	0.021	36.735	-0.004	-0.004	0.000	0.000	0.000	0.000
307	A	476	VAL	0	-0.024	-0.007	33.800	-0.001	-0.001	0.000	0.000	0.000	0.000
308	A	477	GLU	-1	-0.903	-0.939	31.827	-0.046	-0.046	0.000	0.000	0.000	0.000
309	A	478	VAL	0	0.004	0.005	32.540	-0.004	-0.004	0.000	0.000	0.000	0.000
310	A	479	LEU	0	-0.012	-0.006	34.511	-0.001	-0.001	0.000	0.000	0.000	0.000
311	A	480	ARG	1	0.810	0.898	29.439	0.036	0.036	0.000	0.000	0.000	0.000
312	A	481	GLY	0	0.007	0.003	30.057	-0.002	-0.002	0.000	0.000	0.000	0.000
313	A	482	ILE	0	-0.004	-0.013	31.139	-0.003	-0.003	0.000	0.000	0.000	0.000
314	A	483	HIS	0	-0.029	-0.023	32.108	-0.003	-0.003	0.000	0.000	0.000	0.000
315	A	484	ARG	1	0.756	0.860	26.474	0.044	0.044	0.000	0.000	0.000	0.000
316	A	485	ILE	0	0.016	-0.001	28.922	-0.003	-0.003	0.000	0.000	0.000	0.000
317	A	486	ALA	0	-0.011	-0.007	30.672	-0.001	-0.001	0.000	0.000	0.000	0.000
318	A	487	ASP	-1	-0.850	-0.927	27.416	-0.007	-0.007	0.000	0.000	0.000	0.000
319	A	488	MET	0	-0.056	-0.004	26.065	-0.002	-0.002	0.000	0.000	0.000	0.000
320	A	489	SER	0	-0.033	0.005	28.070	-0.007	-0.007	0.000	0.000	0.000	0.000
321	A	490	GLU	-1	-0.889	-0.951	31.201	-0.039	-0.039	0.000	0.000	0.000	0.000
322	A	491	GLY	0	0.023	-0.008	33.374	-0.002	-0.002	0.000	0.000	0.000	0.000
323	A	492	GLU	-1	-0.895	-0.944	36.895	-0.015	-0.015	0.000	0.000	0.000	0.000
324	A	493	THR	0	-0.046	-0.016	35.157	0.001	0.001	0.000	0.000	0.000	0.000
325	A	494	LYS	1	0.901	0.953	30.345	0.012	0.012	0.000	0.000	0.000	0.000
326	A	495	GLN	0	0.086	0.034	35.721	0.001	0.001	0.000	0.000	0.000	0.000
327	A	496	ARG	1	0.828	0.880	38.918	0.034	0.034	0.000	0.000	0.000	0.000
328	A	497	LEU	0	-0.010	-0.005	35.044	0.000	0.000	0.000	0.000	0.000	0.000
329	A	498	GLN	0	0.029	0.003	35.762	-0.001	-0.001	0.000	0.000	0.000	0.000
330	A	499	SER	0	0.018	-0.001	37.993	0.003	0.003	0.000	0.000	0.000	0.000
331	A	500	LEU	0	-0.041	-0.004	39.765	0.001	0.001	0.000	0.000	0.000	0.000
332	A	501	VAL	0	0.001	-0.014	35.990	0.001	0.001	0.000	0.000	0.000	0.000
333	A	502	LYS	1	0.818	0.938	39.360	-0.004	-0.004	0.000	0.000	0.000	0.000
334	A	503	THR	0	-0.026	-0.036	41.359	0.002	0.002	0.000	0.000	0.000	0.000
335	A	504	ILE	0	-0.043	-0.014	41.394	0.000	0.000	0.000	0.000	0.000	0.000
336	A	505	VAL	0	0.010	0.005	38.697	0.001	0.001	0.000	0.000	0.000	0.000
337	A	506	GLN	0	-0.001	0.004	42.098	0.000	0.000	0.000	0.000	0.000	0.000
338	A	507	SER	0	-0.084	-0.039	45.119	0.000	0.000	0.000	0.000	0.000	0.000
339	A	508	ASP	-1	-0.752	-0.868	43.714	-0.007	-0.007	0.000	0.000	0.000	0.000
340	A	509	SER	0	-0.021	-0.014	45.560	0.001	0.001	0.000	0.000	0.000	0.000
341	A	510	TYR	0	-0.075	-0.058	45.347	0.001	0.001	0.000	0.000	0.000	0.000
342	A	511	TYR	0	-0.027	-0.022	38.099	0.001	0.001	0.000	0.000	0.000	0.000
343	A	512	ASP	-1	-0.870	-0.938	39.403	0.014	0.014	0.000	0.000	0.000	0.000
344	A	513	VAL	0	0.070	0.014	36.195	0.000	0.000	0.000	0.000	0.000	0.000
345	A	514	PHE	0	0.013	-0.011	33.984	-0.001	-0.001	0.000	0.000	0.000	0.000
346	A	515	LYS	1	0.892	0.965	34.297	-0.006	-0.006	0.000	0.000	0.000	0.000
347	A	516	ASN	0	-0.069	-0.040	32.786	-0.001	-0.001	0.000	0.000	0.000	0.000
348	A	517	LEU	0	-0.035	-0.006	30.954	-0.006	-0.006	0.000	0.000	0.000	0.000
349	A	518	LYS	1	0.848	0.905	27.945	-0.005	-0.005	0.000	0.000	0.000	0.000
350	A	519	THR	0	0.018	0.010	23.822	0.005	0.005	0.000	0.000	0.000	0.000
351	A	520	TYR	0	0.059	0.011	23.608	-0.009	-0.009	0.000	0.000	0.000	0.000
352	A	521	LYS	1	0.943	0.970	23.457	0.006	0.006	0.000	0.000	0.000	0.000
353	A	522	ASP	-1	-0.793	-0.869	25.963	-0.021	-0.021	0.000	0.000	0.000	0.000
354	A	523	ILE	0	-0.025	-0.005	28.584	-0.002	-0.002	0.000	0.000	0.000	0.000
355	A	524	SER	0	0.007	0.008	28.513	-0.002	-0.002	0.000	0.000	0.000	0.000
356	A	525	LEU	0	0.023	0.005	27.730	-0.001	-0.001	0.000	0.000	0.000	0.000
357	A	526	MET	0	0.014	0.022	31.312	-0.003	-0.003	0.000	0.000	0.000	0.000
358	A	527	GLN	0	0.013	-0.007	33.144	0.002	0.002	0.000	0.000	0.000	0.000
359	A	528	SER	0	-0.031	0.012	33.526	-0.002	-0.002	0.000	0.000	0.000	0.000
360	A	529	LEU	0	-0.004	-0.001	35.416	-0.001	-0.001	0.000	0.000	0.000	0.000
361	A	530	LEU	0	-0.026	-0.020	37.305	-0.001	-0.001	0.000	0.000	0.000	0.000
362	A	531	SER	0	-0.068	-0.045	38.154	0.000	0.000	0.000	0.000	0.000	0.000
363	A	532	ASP	-1	-0.860	-0.913	38.632	0.012	0.012	0.000	0.000	0.000	0.000
364	A	533	ALA	0	-0.030	-0.036	40.693	-0.003	-0.003	0.000	0.000	0.000	0.000
365	A	534	GLY	0	-0.020	-0.004	42.379	-0.002	-0.002	0.000	0.000	0.000	0.000
366	A	535	VAL	0	-0.086	-0.022	38.930	-0.003	-0.003	0.000	0.000	0.000	0.000
367	A	536	ALA	0	-0.003	0.007	42.245	0.002	0.002	0.000	0.000	0.000	0.000
368	A	537	SER	0	0.018	-0.024	44.252	-0.002	-0.002	0.000	0.000	0.000	0.000
369	A	538	VAL	0	0.004	0.005	46.286	0.001	0.001	0.000	0.000	0.000	0.000
370	A	539	PRO	0	0.021	0.021	48.539	-0.002	-0.002	0.000	0.000	0.000	0.000
371	A	540	ARG	1	0.882	0.950	45.360	0.019	0.019	0.000	0.000	0.000	0.000
372	A	541	THR	0	0.056	0.020	49.734	0.001	0.001	0.000	0.000	0.000	0.000
373	A	542	SER	0	-0.014	-0.015	51.761	-0.001	-0.001	0.000	0.000	0.000	0.000
374	A	543	TYR	0	-0.006	0.011	48.151	0.000	0.000	0.000	0.000	0.000	0.000
375	A	544	LEU	0	0.000	-0.010	52.811	0.001	0.001	0.000	0.000	0.000	0.000
376	A	545	SER	0	-0.004	0.004	47.873	0.000	0.000	0.000	0.000	0.000	0.000
377	A	546	ALA	0	0.013	0.005	50.883	0.000	0.000	0.000	0.000	0.000	0.000
378	A	547	PHE	0	-0.033	-0.011	45.171	-0.001	-0.001	0.000	0.000	0.000	0.000
379	A	548	ASN	0	0.078	0.018	49.220	0.000	0.000	0.000	0.000	0.000	0.000
380	A	549	LYS	1	0.827	0.933	47.069	0.049	0.049	0.000	0.000	0.000	0.000
381	A	550	MET	0	-0.041	0.001	44.481	-0.003	-0.003	0.000	0.000	0.000	0.000
382	A	551	ASP	-1	-0.767	-0.803	47.722	-0.038	-0.038	0.000	0.000	0.000	0.000
383	A	552	LYS	1	0.894	0.899	47.278	0.039	0.039	0.000	0.000	0.000	0.000
384	A	553	THR	0	0.012	0.007	50.495	-0.001	-0.001	0.000	0.000	0.000	0.000
385	A	554	ALA	0	0.000	0.014	49.025	0.001	0.001	0.000	0.000	0.000	0.000
386	A	555	MET	0	-0.008	0.000	51.065	-0.001	-0.001	0.000	0.000	0.000	0.000
387	A	556	TYR	0	-0.006	0.002	51.397	0.001	0.001	0.000	0.000	0.000	0.000
388	A	557	ASN	0	0.009	0.003	53.499	0.001	0.001	0.000	0.000	0.000	0.000
389	A	558	ALA	0	0.064	0.012	54.074	0.001	0.001	0.000	0.000	0.000	0.000
390	A	559	GLU	-1	-0.943	-0.944	55.538	-0.009	-0.009	0.000	0.000	0.000	0.000
391	A	560	LYS	1	0.887	0.907	59.191	0.010	0.010	0.000	0.000	0.000	0.000
392	A	561	GLY	0	-0.010	0.023	55.436	0.001	0.001	0.000	0.000	0.000	0.000
393	A	562	PHE	0	-0.020	-0.003	55.186	0.001	0.001	0.000	0.000	0.000	0.000
394	A	563	GLY	0	0.021	0.004	52.424	-0.001	-0.001	0.000	0.000	0.000	0.000
395	A	564	PHE	0	-0.023	-0.025	53.498	0.001	0.001	0.000	0.000	0.000	0.000
396	A	565	GLY	0	0.034	0.023	51.641	-0.001	-0.001	0.000	0.000	0.000	0.000
397	A	566	LEU	0	-0.019	0.002	52.504	0.001	0.001	0.000	0.000	0.000	0.000
398	A	567	SER	0	-0.054	-0.043	50.576	-0.001	-0.001	0.000	0.000	0.000	0.000
399	A	568	LEU	0	0.017	0.046	52.427	0.001	0.001	0.000	0.000	0.000	0.000
400	A	569	PHE	0	0.000	-0.001	51.570	-0.001	-0.001	0.000	0.000	0.000	0.000
401	A	570	SER	0	0.048	-0.014	52.515	0.001	0.001	0.000	0.000	0.000	0.000
402	A	571	SER	0	0.025	0.015	53.198	-0.001	-0.001	0.000	0.000	0.000	0.000
403	A	572	ARG	1	0.781	0.878	50.126	0.036	0.036	0.000	0.000	0.000	0.000
404	A	573	THR	0	-0.050	-0.054	47.635	-0.002	-0.002	0.000	0.000	0.000	0.000
405	A	574	LEU	0	-0.035	-0.010	45.937	0.002	0.002	0.000	0.000	0.000	0.000
406	A	575	ASN	0	0.023	0.022	48.649	-0.002	-0.002	0.000	0.000	0.000	0.000
407	A	576	TYR	0	0.005	0.015	47.622	0.001	0.001	0.000	0.000	0.000	0.000
408	A	577	GLU	-1	-0.718	-0.819	40.251	-0.061	-0.061	0.000	0.000	0.000	0.000
409	A	578	HIS	0	-0.030	-0.011	44.722	0.001	0.001	0.000	0.000	0.000	0.000
410	A	579	MET	0	-0.013	-0.012	39.220	-0.003	-0.003	0.000	0.000	0.000	0.000
411	A	580	ASN	0	-0.022	-0.019	35.979	0.002	0.002	0.000	0.000	0.000	0.000
412	A	581	LYS	1	0.965	0.984	40.019	0.043	0.043	0.000	0.000	0.000	0.000
413	A	582	GLU	-1	-0.741	-0.820	38.163	-0.046	-0.046	0.000	0.000	0.000	0.000
414	A	583	ASN	0	0.001	-0.022	42.769	0.000	0.000	0.000	0.000	0.000	0.000
415	A	584	LYS	1	0.856	0.918	45.684	0.028	0.028	0.000	0.000	0.000	0.000
416	A	585	ARG	1	0.857	0.907	48.396	0.023	0.023	0.000	0.000	0.000	0.000
417	A	586	GLY	0	0.047	0.040	49.243	0.001	0.001	0.000	0.000	0.000	0.000
418	A	587	TRP	0	-0.059	-0.034	50.242	0.000	0.000	0.000	0.000	0.000	0.000
419	A	588	TYR	0	0.039	0.021	53.180	-0.001	-0.001	0.000	0.000	0.000	0.000
420	A	589	THR	0	-0.027	-0.033	49.988	0.000	0.000	0.000	0.000	0.000	0.000
421	A	590	SER	0	-0.008	-0.004	50.144	0.000	0.000	0.000	0.000	0.000	0.000
422	A	591	ASP	-1	-0.827	-0.905	52.939	-0.029	-0.029	0.000	0.000	0.000	0.000
423	A	592	GLY	0	0.026	-0.020	56.049	0.001	0.001	0.000	0.000	0.000	0.000
424	A	593	MET	0	-0.080	-0.001	52.232	0.001	0.001	0.000	0.000	0.000	0.000
425	A	594	PHE	0	-0.047	-0.032	55.004	-0.001	-0.001	0.000	0.000	0.000	0.000
426	A	595	TYR	0	-0.001	-0.005	49.824	0.000	0.000	0.000	0.000	0.000	0.000
427	A	596	LEU	0	0.013	0.009	54.005	0.000	0.000	0.000	0.000	0.000	0.000
428	A	597	TYR	0	0.000	0.000	48.690	0.000	0.000	0.000	0.000	0.000	0.000
429	A	598	ASN	0	0.063	0.010	53.161	0.000	0.000	0.000	0.000	0.000	0.000
430	A	599	GLY	0	0.048	0.017	53.626	0.000	0.000	0.000	0.000	0.000	0.000
431	A	600	ASP	-1	-0.835	-0.890	53.448	-0.006	-0.006	0.000	0.000	0.000	0.000
432	A	601	LEU	0	-0.083	-0.043	47.894	-0.001	-0.001	0.000	0.000	0.000	0.000
433	A	602	SER	0	-0.021	-0.015	48.927	-0.001	-0.001	0.000	0.000	0.000	0.000
434	A	603	HIS	0	0.027	0.036	50.073	0.000	0.000	0.000	0.000	0.000	0.000
435	A	604	TYR	0	-0.033	-0.032	48.641	0.000	0.000	0.000	0.000	0.000	0.000
436	A	605	SER	0	-0.034	-0.017	46.113	-0.002	-0.002	0.000	0.000	0.000	0.000
437	A	606	ASP	-1	-0.826	-0.894	46.781	-0.004	-0.004	0.000	0.000	0.000	0.000
438	A	607	GLY	0	0.011	-0.005	47.529	0.000	0.000	0.000	0.000	0.000	0.000
439	A	608	TYR	0	0.044	0.041	48.938	-0.001	-0.001	0.000	0.000	0.000	0.000
440	A	609	TRP	0	-0.025	-0.037	46.600	-0.001	-0.001	0.000	0.000	0.000	0.000
441	A	610	PRO	0	-0.039	-0.017	47.598	-0.001	-0.001	0.000	0.000	0.000	0.000
442	A	611	THR	0	-0.032	-0.026	50.214	0.001	0.001	0.000	0.000	0.000	0.000
443	A	612	VAL	0	-0.019	0.015	52.422	0.001	0.001	0.000	0.000	0.000	0.000
444	A	613	ASN	0	0.035	0.004	54.885	-0.002	-0.002	0.000	0.000	0.000	0.000
445	A	614	PRO	0	0.010	-0.004	53.771	0.000	0.000	0.000	0.000	0.000	0.000
446	A	615	TYR	0	-0.005	-0.015	55.731	-0.001	-0.001	0.000	0.000	0.000	0.000
447	A	616	LYS	1	0.890	0.964	58.757	0.014	0.014	0.000	0.000	0.000	0.000
448	A	617	MET	0	0.056	0.047	52.873	0.001	0.001	0.000	0.000	0.000	0.000
449	A	618	PRO	0	0.017	0.026	55.875	0.000	0.000	0.000	0.000	0.000	0.000
450	A	619	GLY	0	0.054	0.019	57.914	-0.001	-0.001	0.000	0.000	0.000	0.000
451	A	620	THR	0	-0.081	-0.023	57.350	0.000	0.000	0.000	0.000	0.000	0.000
452	A	621	THR	0	0.011	-0.003	60.504	0.001	0.001	0.000	0.000	0.000	0.000
453	A	622	GLH	0	-0.049	-0.046	58.845	-0.001	-0.001	0.000	0.000	0.000	0.000
454	A	623	THR	0	0.035	0.017	63.369	0.001	0.001	0.000	0.000	0.000	0.000
455	A	624	ASP	-1	-0.833	-0.885	63.550	-0.017	-0.017	0.000	0.000	0.000	0.000
456	A	625	ALA	0	0.006	0.021	63.166	0.000	0.000	0.000	0.000	0.000	0.000
457	A	626	LYS	1	0.943	0.967	59.534	0.023	0.023	0.000	0.000	0.000	0.000
458	A	627	ARG	1	0.844	0.902	54.904	0.028	0.028	0.000	0.000	0.000	0.000
459	A	628	ALA	0	-0.057	-0.018	55.018	0.001	0.001	0.000	0.000	0.000	0.000
460	A	629	ASP	-1	-0.730	-0.846	50.554	-0.027	-0.027	0.000	0.000	0.000	0.000
461	A	630	SER	0	-0.046	-0.030	49.890	-0.001	-0.001	0.000	0.000	0.000	0.000
462	A	631	ASP	-1	-0.842	-0.885	50.316	-0.033	-0.033	0.000	0.000	0.000	0.000
463	A	632	THR	0	0.002	-0.010	47.258	-0.001	-0.001	0.000	0.000	0.000	0.000
464	A	633	GLY	0	0.050	0.035	48.398	0.002	0.002	0.000	0.000	0.000	0.000
465	A	634	LYS	1	0.821	0.891	49.882	0.039	0.039	0.000	0.000	0.000	0.000
466	A	635	VAL	0	0.038	0.032	50.513	0.000	0.000	0.000	0.000	0.000	0.000
467	A	636	LEU	0	-0.048	-0.001	52.878	0.001	0.001	0.000	0.000	0.000	0.000
468	A	637	PRO	0	0.012	-0.011	56.228	-0.001	-0.001	0.000	0.000	0.000	0.000
469	A	638	SER	0	0.008	-0.002	58.980	-0.001	-0.001	0.000	0.000	0.000	0.000
470	A	639	ALA	0	0.048	0.014	56.922	-0.001	-0.001	0.000	0.000	0.000	0.000
471	A	640	PHE	0	-0.032	-0.007	57.908	0.000	0.000	0.000	0.000	0.000	0.000
472	A	641	VAL	0	-0.029	-0.020	55.710	0.001	0.001	0.000	0.000	0.000	0.000
473	A	642	GLY	0	0.000	0.011	55.822	-0.002	-0.002	0.000	0.000	0.000	0.000
474	A	643	THR	0	-0.059	-0.047	55.214	0.002	0.002	0.000	0.000	0.000	0.000
475	A	644	SER	0	-0.002	-0.004	56.799	-0.002	-0.002	0.000	0.000	0.000	0.000
476	A	645	LYS	1	0.786	0.852	52.883	0.027	0.027	0.000	0.000	0.000	0.000
477	A	646	LEU	0	0.014	0.005	58.013	0.000	0.000	0.000	0.000	0.000	0.000
478	A	647	ASP	-1	-0.840	-0.940	58.069	-0.018	-0.018	0.000	0.000	0.000	0.000
479	A	648	ASP	-1	-0.911	-0.910	53.298	-0.024	-0.024	0.000	0.000	0.000	0.000
480	A	649	ALA	0	-0.008	-0.080	55.897	0.001	0.001	0.000	0.000	0.000	0.000
481	A	650	ASN	0	0.018	0.068	57.532	0.001	0.001	0.000	0.000	0.000	0.000
482	A	651	ALA	0	-0.040	-0.015	57.079	-0.001	-0.001	0.000	0.000	0.000	0.000
483	A	652	THR	0	-0.021	-0.060	58.237	0.001	0.001	0.000	0.000	0.000	0.000
484	A	653	ALA	0	0.053	0.084	58.183	-0.001	-0.001	0.000	0.000	0.000	0.000
485	A	654	THR	0	0.030	0.024	59.875	0.001	0.001	0.000	0.000	0.000	0.000
486	A	655	MET	0	-0.012	-0.004	56.194	-0.001	-0.001	0.000	0.000	0.000	0.000
487	A	656	ASP	-1	-0.822	-0.889	60.399	-0.025	-0.025	0.000	0.000	0.000	0.000
488	A	657	PHE	0	-0.045	-0.016	58.510	-0.001	-0.001	0.000	0.000	0.000	0.000
489	A	658	THR	0	0.007	-0.012	60.895	0.001	0.001	0.000	0.000	0.000	0.000
490	A	659	ASN	0	0.054	0.045	60.261	-0.002	-0.002	0.000	0.000	0.000	0.000
491	A	660	TRP	0	0.007	-0.021	57.479	-0.001	-0.001	0.000	0.000	0.000	0.000
492	A	661	ASN	0	0.021	0.025	58.945	-0.001	-0.001	0.000	0.000	0.000	0.000
493	A	662	GLN	0	-0.055	-0.023	59.776	0.000	0.000	0.000	0.000	0.000	0.000
494	A	663	THR	0	-0.020	-0.017	64.053	0.001	0.001	0.000	0.000	0.000	0.000
495	A	664	LEU	0	0.002	0.013	64.527	0.001	0.001	0.000	0.000	0.000	0.000
496	A	665	THR	0	-0.029	-0.007	64.991	-0.001	-0.001	0.000	0.000	0.000	0.000
497	A	666	ALA	0	0.032	0.001	64.992	0.001	0.001	0.000	0.000	0.000	0.000
498	A	667	HIS	1	0.873	0.971	64.826	0.021	0.021	0.000	0.000	0.000	0.000
499	A	668	LYS	1	0.823	0.906	60.812	0.022	0.022	0.000	0.000	0.000	0.000
500	A	669	SER	0	0.025	-0.009	62.835	-0.002	-0.002	0.000	0.000	0.000	0.000
501	A	670	TRP	0	-0.013	-0.012	59.705	0.000	0.000	0.000	0.000	0.000	0.000
502	A	671	PHE	0	0.000	0.012	62.393	-0.001	-0.001	0.000	0.000	0.000	0.000
503	A	672	MET	0	-0.027	0.001	57.710	0.001	0.001	0.000	0.000	0.000	0.000
504	A	673	LEU	0	0.003	0.001	61.378	0.000	0.000	0.000	0.000	0.000	0.000
505	A	674	LYS	1	0.948	0.982	60.887	0.013	0.013	0.000	0.000	0.000	0.000
506	A	675	ASP	-1	-0.850	-0.922	60.504	-0.011	-0.011	0.000	0.000	0.000	0.000
507	A	676	LYS	1	0.815	0.908	62.702	0.013	0.013	0.000	0.000	0.000	0.000
508	A	677	ILE	0	-0.005	-0.004	59.130	-0.001	-0.001	0.000	0.000	0.000	0.000
509	A	678	ALA	0	-0.003	0.001	62.949	0.001	0.001	0.000	0.000	0.000	0.000
510	A	679	PHE	0	0.016	0.006	60.091	-0.001	-0.001	0.000	0.000	0.000	0.000
511	A	680	LEU	0	-0.034	-0.015	65.228	0.001	0.001	0.000	0.000	0.000	0.000
512	A	681	GLY	0	0.000	0.001	66.254	-0.001	-0.001	0.000	0.000	0.000	0.000
513	A	682	SER	0	-0.016	-0.022	68.026	0.001	0.001	0.000	0.000	0.000	0.000
514	A	683	ASN	0	0.002	-0.011	69.417	0.000	0.000	0.000	0.000	0.000	0.000
515	A	684	ILE	0	-0.024	0.010	68.569	-0.001	-0.001	0.000	0.000	0.000	0.000
516	A	685	GLN	0	0.000	-0.008	69.735	0.000	0.000	0.000	0.000	0.000	0.000
517	A	686	ASN	0	0.027	0.000	69.462	-0.001	-0.001	0.000	0.000	0.000	0.000
518	A	687	THR	0	-0.040	-0.019	69.806	0.001	0.001	0.000	0.000	0.000	0.000
519	A	688	SER	0	-0.046	-0.056	68.107	0.000	0.000	0.000	0.000	0.000	0.000
520	A	689	THR	0	-0.010	-0.011	70.662	0.000	0.000	0.000	0.000	0.000	0.000
521	A	690	ASP	-1	-0.922	-0.917	67.180	-0.020	-0.020	0.000	0.000	0.000	0.000
522	A	691	THR	0	-0.103	-0.084	69.312	0.000	0.000	0.000	0.000	0.000	0.000
523	A	692	ALA	0	0.052	0.025	67.799	-0.001	-0.001	0.000	0.000	0.000	0.000
524	A	693	ALA	0	-0.013	-0.011	67.000	0.001	0.001	0.000	0.000	0.000	0.000
525	A	694	THR	0	-0.015	-0.005	64.060	-0.001	-0.001	0.000	0.000	0.000	0.000
526	A	695	THR	0	-0.002	0.008	61.327	0.001	0.001	0.000	0.000	0.000	0.000
527	A	696	ILE	0	-0.051	-0.017	62.630	-0.001	-0.001	0.000	0.000	0.000	0.000
528	A	697	ASP	-1	-0.804	-0.903	59.869	-0.014	-0.014	0.000	0.000	0.000	0.000
529	A	698	GLN	0	-0.004	0.000	58.113	0.001	0.001	0.000	0.000	0.000	0.000
530	A	699	ARG	1	0.852	0.954	55.026	0.012	0.012	0.000	0.000	0.000	0.000
531	A	700	LYS	1	0.891	0.971	51.409	0.009	0.009	0.000	0.000	0.000	0.000
532	A	701	LEU	0	-0.050	-0.036	56.975	0.000	0.000	0.000	0.000	0.000	0.000
533	A	702	GLU	-1	-0.759	-0.855	55.353	-0.003	-0.003	0.000	0.000	0.000	0.000
534	A	703	SER	0	-0.021	-0.022	57.735	0.000	0.000	0.000	0.000	0.000	0.000
535	A	704	SER	0	-0.025	-0.013	56.782	0.000	0.000	0.000	0.000	0.000	0.000
536	A	705	ASN	0	-0.031	-0.018	59.458	0.000	0.000	0.000	0.000	0.000	0.000
537	A	706	PRO	0	0.029	0.029	61.186	-0.001	-0.001	0.000	0.000	0.000	0.000
538	A	707	TYR	0	-0.004	-0.021	60.921	0.000	0.000	0.000	0.000	0.000	0.000
539	A	708	LYS	1	0.761	0.884	65.664	0.003	0.003	0.000	0.000	0.000	0.000
540	A	709	VAL	0	0.034	0.011	67.944	0.000	0.000	0.000	0.000	0.000	0.000
541	A	710	TYR	0	-0.090	-0.076	70.367	0.001	0.001	0.000	0.000	0.000	0.000
542	A	711	VAL	0	0.064	0.037	72.467	-0.001	-0.001	0.000	0.000	0.000	0.000
543	A	712	ASN	0	-0.048	-0.041	74.953	0.000	0.000	0.000	0.000	0.000	0.000
544	A	713	ASP	-1	-0.786	-0.851	75.848	-0.005	-0.005	0.000	0.000	0.000	0.000
545	A	714	LYS	1	0.884	0.950	76.907	0.007	0.007	0.000	0.000	0.000	0.000
546	A	715	GLU	-1	-0.804	-0.881	74.178	-0.003	-0.003	0.000	0.000	0.000	0.000
547	A	716	ALA	0	-0.017	-0.006	73.418	0.000	0.000	0.000	0.000	0.000	0.000
548	A	717	SER	0	0.000	0.000	72.975	0.000	0.000	0.000	0.000	0.000	0.000
549	A	718	LEU	0	-0.012	0.002	67.872	0.000	0.000	0.000	0.000	0.000	0.000
550	A	719	THR	0	-0.054	-0.037	70.391	0.001	0.001	0.000	0.000	0.000	0.000
551	A	720	GLU	-1	-0.839	-0.927	65.940	-0.008	-0.008	0.000	0.000	0.000	0.000
552	A	721	GLN	0	-0.069	-0.022	68.407	-0.001	-0.001	0.000	0.000	0.000	0.000
553	A	722	GLU	-1	-0.837	-0.910	68.046	-0.011	-0.011	0.000	0.000	0.000	0.000
554	A	723	LYS	1	0.843	0.928	71.240	0.006	0.006	0.000	0.000	0.000	0.000
555	A	724	ASP	-1	-0.850	-0.938	73.408	-0.011	-0.011	0.000	0.000	0.000	0.000
556	A	725	TYR	0	-0.062	-0.042	72.917	0.001	0.001	0.000	0.000	0.000	0.000
557	A	726	PRO	0	0.041	0.020	76.427	0.000	0.000	0.000	0.000	0.000	0.000
558	A	727	GLU	-1	-0.927	-0.975	79.044	-0.009	-0.009	0.000	0.000	0.000	0.000
559	A	728	THR	0	-0.013	0.005	73.700	0.001	0.001	0.000	0.000	0.000	0.000
560	A	729	GLN	0	-0.019	-0.017	76.100	0.000	0.000	0.000	0.000	0.000	0.000
561	A	730	SER	0	-0.007	-0.013	72.875	0.000	0.000	0.000	0.000	0.000	0.000
562	A	731	VAL	0	0.035	0.020	68.908	0.000	0.000	0.000	0.000	0.000	0.000
563	A	732	PHE	0	-0.038	-0.014	67.879	0.000	0.000	0.000	0.000	0.000	0.000
564	A	733	LEU	0	0.007	0.011	63.679	0.001	0.001	0.000	0.000	0.000	0.000
565	A	734	GLU	-1	-0.801	-0.891	65.840	-0.004	-0.004	0.000	0.000	0.000	0.000
566	A	735	SER	0	0.031	0.011	62.300	0.000	0.000	0.000	0.000	0.000	0.000
567	A	736	SER	0	-0.040	-0.025	63.401	0.000	0.000	0.000	0.000	0.000	0.000
568	A	737	ASP	-1	-0.841	-0.921	58.684	-0.003	-0.003	0.000	0.000	0.000	0.000
569	A	738	SER	0	0.064	0.009	62.235	-0.001	-0.001	0.000	0.000	0.000	0.000
570	A	739	LYS	1	0.826	0.908	58.040	0.005	0.005	0.000	0.000	0.000	0.000
571	A	740	LYS	1	0.824	0.894	55.839	0.002	0.002	0.000	0.000	0.000	0.000
572	A	741	ASN	0	-0.012	0.013	60.097	0.000	0.000	0.000	0.000	0.000	0.000
573	A	742	ILE	0	-0.008	-0.006	59.962	-0.001	-0.001	0.000	0.000	0.000	0.000
574	A	743	GLY	0	0.001	0.020	63.988	0.001	0.001	0.000	0.000	0.000	0.000
575	A	744	TYR	0	-0.044	-0.055	62.556	-0.001	-0.001	0.000	0.000	0.000	0.000
576	A	745	PHE	0	-0.012	-0.007	68.324	0.001	0.001	0.000	0.000	0.000	0.000
577	A	746	PHE	0	0.049	0.019	69.672	-0.001	-0.001	0.000	0.000	0.000	0.000
578	A	747	PHE	0	0.041	0.027	69.439	0.001	0.001	0.000	0.000	0.000	0.000
579	A	748	LYS	1	0.889	0.947	74.793	0.012	0.012	0.000	0.000	0.000	0.000
580	A	749	LYS	1	0.913	0.958	76.051	0.009	0.009	0.000	0.000	0.000	0.000
581	A	750	SER	0	0.028	0.013	74.022	-0.001	-0.001	0.000	0.000	0.000	0.000
582	A	751	SER	0	-0.020	-0.010	75.848	0.001	0.001	0.000	0.000	0.000	0.000
583	A	752	ILE	0	-0.041	-0.012	70.758	-0.001	-0.001	0.000	0.000	0.000	0.000
584	A	753	SER	0	0.009	0.019	70.633	0.000	0.000	0.000	0.000	0.000	0.000
585	A	754	MET	0	-0.033	-0.021	68.601	0.000	0.000	0.000	0.000	0.000	0.000
586	A	755	SER	0	0.005	-0.009	66.817	0.000	0.000	0.000	0.000	0.000	0.000
587	A	756	LYS	1	0.820	0.894	64.554	0.005	0.005	0.000	0.000	0.000	0.000
588	A	757	ALA	0	0.044	0.019	63.634	0.001	0.001	0.000	0.000	0.000	0.000
589	A	758	LEU	0	0.009	0.031	58.854	0.000	0.000	0.000	0.000	0.000	0.000
590	A	759	GLN	0	-0.094	-0.047	57.555	0.000	0.000	0.000	0.000	0.000	0.000
591	A	760	LYS	1	0.809	0.879	55.783	0.006	0.006	0.000	0.000	0.000	0.000
592	A	761	GLY	0	0.021	0.019	53.085	-0.001	-0.001	0.000	0.000	0.000	0.000
593	A	762	ALA	0	0.023	0.017	48.751	0.001	0.001	0.000	0.000	0.000	0.000
594	A	763	TRP	0	0.021	-0.001	44.550	-0.002	-0.002	0.000	0.000	0.000	0.000
595	A	764	LYS	1	0.844	0.918	44.319	0.022	0.022	0.000	0.000	0.000	0.000
596	A	765	ASP	-1	-0.858	-0.927	46.306	-0.020	-0.020	0.000	0.000	0.000	0.000
597	A	766	ILE	0	-0.048	-0.022	46.191	-0.002	-0.002	0.000	0.000	0.000	0.000
598	A	767	ASN	0	-0.022	-0.039	40.214	-0.003	-0.003	0.000	0.000	0.000	0.000
599	A	768	GLU	-1	-0.851	-0.902	42.805	-0.027	-0.027	0.000	0.000	0.000	0.000
600	A	769	GLY	0	-0.033	-0.007	39.557	0.001	0.001	0.000	0.000	0.000	0.000
601	A	770	GLN	0	-0.025	0.003	38.517	0.003	0.003	0.000	0.000	0.000	0.000
602	A	771	SER	0	0.013	0.003	41.938	0.001	0.001	0.000	0.000	0.000	0.000
603	A	772	ASP	-1	-0.891	-0.962	43.928	-0.013	-0.013	0.000	0.000	0.000	0.000
604	A	773	LYS	1	0.892	0.952	46.779	0.004	0.004	0.000	0.000	0.000	0.000
605	A	774	GLU	-1	-0.855	-0.918	48.612	-0.007	-0.007	0.000	0.000	0.000	0.000
606	A	775	VAL	0	-0.055	-0.025	48.548	0.002	0.002	0.000	0.000	0.000	0.000
607	A	776	GLU	-1	-0.833	-0.933	51.841	-0.005	-0.005	0.000	0.000	0.000	0.000
608	A	777	ASN	0	-0.032	-0.019	51.960	0.002	0.002	0.000	0.000	0.000	0.000
609	A	778	GLU	-1	-0.803	-0.882	56.216	-0.006	-0.006	0.000	0.000	0.000	0.000
610	A	779	PHE	0	-0.003	-0.011	54.367	0.000	0.000	0.000	0.000	0.000	0.000
611	A	780	LEU	0	-0.020	-0.002	60.300	0.001	0.001	0.000	0.000	0.000	0.000
612	A	781	THR	0	-0.013	-0.009	62.352	-0.001	-0.001	0.000	0.000	0.000	0.000
613	A	782	ILE	0	-0.008	-0.009	64.017	0.001	0.001	0.000	0.000	0.000	0.000
614	A	783	SER	0	-0.044	-0.013	65.405	-0.001	-0.001	0.000	0.000	0.000	0.000
615	A	784	GLN	0	0.036	0.001	67.593	0.001	0.001	0.000	0.000	0.000	0.000
616	A	785	ALA	0	-0.022	-0.013	69.501	-0.001	-0.001	0.000	0.000	0.000	0.000
617	A	786	HIS	0	-0.013	-0.020	68.237	0.001	0.001	0.000	0.000	0.000	0.000
618	A	787	LYS	1	0.929	0.961	72.490	0.012	0.012	0.000	0.000	0.000	0.000
619	A	788	GLN	0	-0.010	-0.001	75.298	0.000	0.000	0.000	0.000	0.000	0.000
620	A	789	ASN	0	0.019	0.009	74.191	-0.001	-0.001	0.000	0.000	0.000	0.000
621	A	790	GLY	0	-0.030	-0.015	74.260	0.000	0.000	0.000	0.000	0.000	0.000
622	A	791	ASP	-1	-0.818	-0.894	73.243	-0.014	-0.014	0.000	0.000	0.000	0.000
623	A	792	SER	0	-0.061	-0.047	71.922	-0.001	-0.001	0.000	0.000	0.000	0.000
624	A	793	TYR	0	0.047	0.040	64.492	0.000	0.000	0.000	0.000	0.000	0.000
625	A	794	GLY	0	0.024	-0.011	69.555	-0.001	-0.001	0.000	0.000	0.000	0.000
626	A	795	TYR	0	-0.010	-0.003	63.649	0.001	0.001	0.000	0.000	0.000	0.000
627	A	796	MET	0	-0.035	0.004	67.008	-0.001	-0.001	0.000	0.000	0.000	0.000
628	A	797	LEU	0	0.012	0.018	60.312	0.001	0.001	0.000	0.000	0.000	0.000
629	A	798	ILE	0	-0.026	-0.044	64.183	0.000	0.000	0.000	0.000	0.000	0.000
630	A	799	PRO	0	0.017	0.022	60.256	0.001	0.001	0.000	0.000	0.000	0.000
631	A	800	ASN	0	-0.075	-0.048	57.811	0.000	0.000	0.000	0.000	0.000	0.000
632	A	801	VAL	0	-0.003	0.006	62.343	0.000	0.000	0.000	0.000	0.000	0.000
633	A	802	ASP	-1	-0.779	-0.866	66.052	-0.005	-0.005	0.000	0.000	0.000	0.000
634	A	803	ARG	1	0.886	0.918	68.611	0.004	0.004	0.000	0.000	0.000	0.000
635	A	804	ALA	0	-0.020	-0.006	71.529	0.000	0.000	0.000	0.000	0.000	0.000
636	A	805	THR	0	-0.012	-0.032	69.200	0.000	0.000	0.000	0.000	0.000	0.000
637	A	806	PHE	0	-0.013	-0.012	69.070	-0.001	-0.001	0.000	0.000	0.000	0.000
638	A	807	ASN	0	-0.015	-0.036	71.168	-0.001	-0.001	0.000	0.000	0.000	0.000
639	A	808	GLN	0	-0.027	-0.012	74.446	0.000	0.000	0.000	0.000	0.000	0.000
640	A	809	MET	0	0.016	0.009	67.209	0.000	0.000	0.000	0.000	0.000	0.000
641	A	810	ILE	0	-0.006	-0.009	72.138	-0.001	-0.001	0.000	0.000	0.000	0.000
642	A	811	LYS	1	0.758	0.880	74.252	0.008	0.008	0.000	0.000	0.000	0.000
643	A	812	GLU	-1	-0.824	-0.889	73.065	-0.009	-0.009	0.000	0.000	0.000	0.000
644	A	813	LEU	0	-0.009	-0.007	69.868	0.000	0.000	0.000	0.000	0.000	0.000
645	A	814	GLU	-1	-0.840	-0.872	74.552	-0.009	-0.009	0.000	0.000	0.000	0.000
646	A	815	SER	0	-0.060	-0.047	77.665	0.000	0.000	0.000	0.000	0.000	0.000
647	A	816	SER	0	-0.047	-0.027	72.229	0.000	0.000	0.000	0.000	0.000	0.000
648	A	817	LEU	0	-0.051	-0.009	72.066	-0.001	-0.001	0.000	0.000	0.000	0.000
649	A	818	ILE	0	-0.023	-0.018	73.606	0.000	0.000	0.000	0.000	0.000	0.000
650	A	819	GLU	-1	-0.875	-0.952	73.903	-0.015	-0.015	0.000	0.000	0.000	0.000
651	A	820	ASN	0	-0.041	-0.031	71.014	-0.001	-0.001	0.000	0.000	0.000	0.000
652	A	821	ASN	0	0.065	0.053	73.326	0.000	0.000	0.000	0.000	0.000	0.000
653	A	822	GLU	-1	-0.848	-0.907	72.225	-0.018	-0.018	0.000	0.000	0.000	0.000
654	A	823	THR	0	-0.044	-0.032	71.714	-0.001	-0.001	0.000	0.000	0.000	0.000
655	A	824	LEU	0	-0.017	-0.002	71.460	-0.001	-0.001	0.000	0.000	0.000	0.000
656	A	825	GLN	0	-0.014	0.014	67.445	0.000	0.000	0.000	0.000	0.000	0.000
657	A	826	SER	0	-0.036	-0.034	69.443	0.000	0.000	0.000	0.000	0.000	0.000
658	A	827	VAL	0	0.004	0.002	68.467	0.001	0.001	0.000	0.000	0.000	0.000
659	A	828	TYR	0	-0.005	-0.002	69.774	0.000	0.000	0.000	0.000	0.000	0.000
660	A	829	ASP	-1	-0.789	-0.887	67.815	-0.012	-0.012	0.000	0.000	0.000	0.000
661	A	830	ALA	0	0.042	-0.001	70.759	0.000	0.000	0.000	0.000	0.000	0.000
662	A	831	LYS	1	0.790	0.893	70.745	0.009	0.009	0.000	0.000	0.000	0.000
663	A	832	GLN	0	-0.057	-0.042	64.707	0.000	0.000	0.000	0.000	0.000	0.000
664	A	833	GLY	0	0.028	0.030	69.470	0.000	0.000	0.000	0.000	0.000	0.000
665	A	834	VAL	0	-0.010	-0.012	65.366	-0.001	-0.001	0.000	0.000	0.000	0.000
666	A	835	TRP	0	-0.024	-0.022	68.738	0.000	0.000	0.000	0.000	0.000	0.000
667	A	836	GLY	0	0.026	0.022	66.170	-0.001	-0.001	0.000	0.000	0.000	0.000
668	A	837	ILE	0	-0.021	-0.023	66.484	0.001	0.001	0.000	0.000	0.000	0.000
669	A	838	VAL	0	-0.001	0.000	64.389	-0.001	-0.001	0.000	0.000	0.000	0.000
670	A	839	LYS	1	0.836	0.936	67.008	0.021	0.021	0.000	0.000	0.000	0.000
671	A	840	TYR	0	0.003	-0.027	64.349	-0.001	-0.001	0.000	0.000	0.000	0.000
672	A	841	ASP	-1	-0.821	-0.902	68.745	-0.021	-0.021	0.000	0.000	0.000	0.000
673	A	842	ASP	-1	-0.829	-0.923	69.780	-0.024	-0.024	0.000	0.000	0.000	0.000
674	A	843	SER	0	-0.034	-0.005	72.435	0.001	0.001	0.000	0.000	0.000	0.000
675	A	844	VAL	0	-0.017	-0.016	74.631	0.000	0.000	0.000	0.000	0.000	0.000
676	A	845	SER	0	0.009	0.016	74.167	0.000	0.000	0.000	0.000	0.000	0.000
677	A	846	THR	0	0.007	-0.004	75.864	0.000	0.000	0.000	0.000	0.000	0.000
678	A	847	ILE	0	0.033	0.022	73.301	0.000	0.000	0.000	0.000	0.000	0.000
679	A	848	SER	0	0.037	0.011	76.570	0.000	0.000	0.000	0.000	0.000	0.000
680	A	849	ASN	0	-0.049	-0.023	78.486	0.000	0.000	0.000	0.000	0.000	0.000
681	A	850	GLN	0	0.040	0.022	76.965	0.000	0.000	0.000	0.000	0.000	0.000
682	A	851	PHE	0	0.003	0.009	72.042	0.000	0.000	0.000	0.000	0.000	0.000
683	A	852	GLN	0	-0.019	-0.011	75.917	0.000	0.000	0.000	0.000	0.000	0.000
684	A	853	VAL	0	0.014	0.010	70.251	0.000	0.000	0.000	0.000	0.000	0.000
685	A	854	LEU	0	-0.072	-0.050	71.432	0.000	0.000	0.000	0.000	0.000	0.000
686	A	855	LYS	1	0.882	0.961	65.387	0.026	0.026	0.000	0.000	0.000	0.000
687	A	856	ARG	1	0.827	0.907	64.112	0.027	0.027	0.000	0.000	0.000	0.000
688	A	857	GLY	0	-0.009	-0.003	63.906	-0.001	-0.001	0.000	0.000	0.000	0.000
689	A	858	VAL	0	-0.031	-0.013	61.207	0.001	0.001	0.000	0.000	0.000	0.000
690	A	859	TYR	0	-0.037	-0.045	63.230	-0.001	-0.001	0.000	0.000	0.000	0.000
691	A	860	THR	0	-0.020	-0.011	61.857	0.001	0.001	0.000	0.000	0.000	0.000
692	A	861	ILE	0	-0.021	-0.007	64.611	0.000	0.000	0.000	0.000	0.000	0.000
693	A	862	ARG	1	0.811	0.895	63.671	0.016	0.016	0.000	0.000	0.000	0.000
694	A	863	LYS	1	0.844	0.951	68.326	0.013	0.013	0.000	0.000	0.000	0.000
695	A	864	GLU	-1	-0.891	-0.966	66.570	-0.015	-0.015	0.000	0.000	0.000	0.000
696	A	865	GLY	0	0.005	0.006	71.489	0.000	0.000	0.000	0.000	0.000	0.000
697	A	866	ASP	-1	-0.884	-0.963	74.996	-0.012	-0.012	0.000	0.000	0.000	0.000
698	A	867	GLU	-1	-0.862	-0.906	70.799	-0.017	-0.017	0.000	0.000	0.000	0.000
699	A	868	TYR	0	-0.035	-0.039	70.592	0.001	0.001	0.000	0.000	0.000	0.000
700	A	869	LYS	1	0.912	0.987	62.669	0.018	0.018	0.000	0.000	0.000	0.000
701	A	870	ILE	0	0.026	0.000	65.546	0.000	0.000	0.000	0.000	0.000	0.000
702	A	871	ALA	0	0.016	0.021	60.760	-0.001	-0.001	0.000	0.000	0.000	0.000
703	A	872	TYR	0	-0.009	-0.008	62.569	0.000	0.000	0.000	0.000	0.000	0.000
704	A	873	TYR	0	0.002	0.011	54.695	-0.002	-0.002	0.000	0.000	0.000	0.000
705	A	874	ASN	0	0.078	0.037	60.302	0.001	0.001	0.000	0.000	0.000	0.000
706	A	875	PRO	0	-0.028	-0.026	57.624	-0.001	-0.001	0.000	0.000	0.000	0.000
707	A	876	GLU	-1	-0.846	-0.888	56.962	-0.031	-0.031	0.000	0.000	0.000	0.000
708	A	877	THR	0	-0.047	-0.062	57.542	-0.001	-0.001	0.000	0.000	0.000	0.000
709	A	878	GLN	0	-0.059	-0.022	51.900	-0.002	-0.002	0.000	0.000	0.000	0.000
710	A	879	GLU	-1	-0.871	-0.893	55.224	-0.036	-0.036	0.000	0.000	0.000	0.000
711	A	880	SER	0	-0.042	-0.038	57.885	0.001	0.001	0.000	0.000	0.000	0.000
712	A	881	ALA	0	-0.007	-0.020	60.175	-0.001	-0.001	0.000	0.000	0.000	0.000
713	A	882	PRO	0	-0.006	0.009	63.269	0.001	0.001	0.000	0.000	0.000	0.000
714	A	883	ASP	-1	-0.815	-0.907	65.268	-0.022	-0.022	0.000	0.000	0.000	0.000
715	A	884	GLN	0	-0.033	-0.033	67.536	0.001	0.001	0.000	0.000	0.000	0.000
716	A	885	GLU	-1	-0.890	-0.941	66.649	-0.026	-0.026	0.000	0.000	0.000	0.000
717	A	886	VAL	0	0.009	0.001	66.243	0.000	0.000	0.000	0.000	0.000	0.000
718	A	887	PHE	0	0.007	0.006	69.580	0.001	0.001	0.000	0.000	0.000	0.000
719	A	888	LYS	1	0.885	0.938	71.623	0.017	0.017	0.000	0.000	0.000	0.000
720	A	889	LYS	1	0.892	0.947	73.252	0.017	0.017	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(A:170:VAL)