FMO DATABASE

FMODB ID: 6GYLZ

Calculation Name: 1F1S-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 1F1S

Chain ID: A

ChEMBL ID:

UniProt ID: Q53591

Base Structure: X-ray

Registration Date: 2023-09-27

Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.

DOI:

IFIE MAP

IFIE Diagram

Modeling method

Optimization	MOE:Amber10:EHT
Restraint	OptHSide
Protonation	MOE:Protonate 3D
Complement	MOE:Structure Preparation
Water	No
Procedure	Auto-FMO protocol ver. 2.20220422

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	814
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-22081523.314979
FMO2-HF: Nuclear repulsion	21758643.656493
FMO2-HF: Total energy	-322879.658486
FMO2-MP2: Total energy	-323830.421918

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:171:SER)

Summations of interaction energy for fragment #1(A:171:SER)

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.
-3.129	0.543	3.559	-2.822	-4.408	-0.015

Interaction energy analysis for fragmet #1(A:171:SER)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : -0.008 / q_NPA : -0.017

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	173	HIS	0	-0.001	-0.019	2.606	-3.974	-0.434	3.560	-2.810	-4.290	-0.015
4	A	174	PRO	0	-0.037	-0.007	5.037	0.621	0.753	-0.001	-0.012	-0.118	0.000
5	A	175	GLN	0	0.008	0.018	8.012	0.566	0.566	0.000	0.000	0.000	0.000
6	A	176	PRO	0	-0.019	-0.006	10.519	0.085	0.085	0.000	0.000	0.000	0.000
7	A	177	VAL	0	0.026	0.033	14.007	-0.056	-0.056	0.000	0.000	0.000	0.000
8	A	178	THR	0	-0.026	-0.004	16.208	0.064	0.064	0.000	0.000	0.000	0.000
9	A	179	THR	0	0.037	0.019	18.720	0.011	0.011	0.000	0.000	0.000	0.000
10	A	180	GLN	0	0.015	-0.010	22.255	0.001	0.001	0.000	0.000	0.000	0.000
11	A	181	ILE	0	0.035	0.017	25.546	0.000	0.000	0.000	0.000	0.000	0.000
12	A	182	GLU	-1	-0.752	-0.843	28.987	-0.211	-0.211	0.000	0.000	0.000	0.000
13	A	183	LYS	1	0.955	0.971	28.392	0.223	0.223	0.000	0.000	0.000	0.000
14	A	184	SER	0	0.027	0.010	32.398	0.011	0.011	0.000	0.000	0.000	0.000
15	A	185	VAL	0	-0.020	0.004	32.567	-0.012	-0.012	0.000	0.000	0.000	0.000
16	A	186	ASN	0	0.029	0.020	33.655	0.018	0.018	0.000	0.000	0.000	0.000
17	A	187	THR	0	0.008	0.009	33.851	-0.015	-0.015	0.000	0.000	0.000	0.000
18	A	188	ALA	0	0.032	0.045	35.699	0.009	0.009	0.000	0.000	0.000	0.000
19	A	189	LEU	0	0.011	-0.007	37.715	-0.002	-0.002	0.000	0.000	0.000	0.000
20	A	190	ASN	0	0.021	0.019	37.329	0.001	0.001	0.000	0.000	0.000	0.000
21	A	191	LYS	1	0.740	0.879	31.431	0.176	0.176	0.000	0.000	0.000	0.000
22	A	192	ASN	0	-0.021	-0.017	34.237	0.010	0.010	0.000	0.000	0.000	0.000
23	A	193	TYR	0	-0.032	-0.037	30.048	-0.013	-0.013	0.000	0.000	0.000	0.000
24	A	194	VAL	0	0.012	0.011	28.808	0.009	0.009	0.000	0.000	0.000	0.000
25	A	195	PHE	0	0.004	0.008	29.551	-0.012	-0.012	0.000	0.000	0.000	0.000
26	A	196	ASN	0	0.010	-0.009	26.062	-0.015	-0.015	0.000	0.000	0.000	0.000
27	A	197	LYS	1	0.802	0.912	23.359	0.286	0.286	0.000	0.000	0.000	0.000
28	A	198	ALA	0	0.066	0.043	28.366	0.014	0.014	0.000	0.000	0.000	0.000
29	A	199	ASP	-1	-0.917	-0.962	30.326	-0.155	-0.155	0.000	0.000	0.000	0.000
30	A	200	TYR	0	-0.059	-0.012	30.176	0.003	0.003	0.000	0.000	0.000	0.000
31	A	201	GLN	0	-0.033	-0.021	34.947	0.000	0.000	0.000	0.000	0.000	0.000
32	A	202	TYR	0	-0.004	-0.031	31.822	-0.003	-0.003	0.000	0.000	0.000	0.000
33	A	203	THR	0	0.001	-0.002	38.689	0.006	0.006	0.000	0.000	0.000	0.000
34	A	204	LEU	0	-0.007	0.002	40.288	-0.003	-0.003	0.000	0.000	0.000	0.000
35	A	205	THR	0	-0.031	-0.024	43.272	0.006	0.006	0.000	0.000	0.000	0.000
36	A	206	ASN	0	0.048	0.048	45.692	0.007	0.007	0.000	0.000	0.000	0.000
37	A	207	PRO	0	0.013	-0.010	45.893	-0.004	-0.004	0.000	0.000	0.000	0.000
38	A	208	SER	0	-0.023	-0.021	46.803	-0.001	-0.001	0.000	0.000	0.000	0.000
39	A	209	LEU	0	0.005	0.006	44.001	0.000	0.000	0.000	0.000	0.000	0.000
40	A	210	GLY	0	0.059	0.020	42.695	-0.004	-0.004	0.000	0.000	0.000	0.000
41	A	211	LYS	1	0.928	0.978	42.796	0.089	0.089	0.000	0.000	0.000	0.000
42	A	212	ILE	0	0.010	0.004	38.229	-0.005	-0.005	0.000	0.000	0.000	0.000
43	A	213	VAL	0	-0.044	-0.028	38.758	0.008	0.008	0.000	0.000	0.000	0.000
44	A	214	GLY	0	0.006	0.016	36.748	-0.006	-0.006	0.000	0.000	0.000	0.000
45	A	215	GLY	0	0.024	-0.009	33.365	0.001	0.001	0.000	0.000	0.000	0.000
46	A	216	ILE	0	-0.043	-0.026	32.259	-0.013	-0.013	0.000	0.000	0.000	0.000
47	A	217	LEU	0	-0.034	-0.018	35.033	0.010	0.010	0.000	0.000	0.000	0.000
48	A	218	TYR	0	-0.006	-0.011	36.566	-0.006	-0.006	0.000	0.000	0.000	0.000
49	A	219	PRO	0	-0.045	-0.017	38.372	0.007	0.007	0.000	0.000	0.000	0.000
50	A	220	ASN	0	-0.074	-0.031	41.495	0.003	0.003	0.000	0.000	0.000	0.000
51	A	221	ALA	0	0.007	-0.007	44.865	0.004	0.004	0.000	0.000	0.000	0.000
52	A	222	THR	0	0.009	0.007	43.468	-0.003	-0.003	0.000	0.000	0.000	0.000
53	A	223	GLY	0	0.002	-0.002	43.892	0.006	0.006	0.000	0.000	0.000	0.000
54	A	224	SER	0	-0.011	-0.011	42.984	-0.005	-0.005	0.000	0.000	0.000	0.000
55	A	225	THR	0	-0.011	-0.010	42.624	0.006	0.006	0.000	0.000	0.000	0.000
56	A	226	THR	0	-0.024	-0.011	41.040	-0.004	-0.004	0.000	0.000	0.000	0.000
57	A	227	VAL	0	-0.007	-0.002	36.882	0.004	0.004	0.000	0.000	0.000	0.000
58	A	228	LYS	1	0.914	0.964	39.062	0.085	0.085	0.000	0.000	0.000	0.000
59	A	229	ILE	0	0.002	-0.007	33.707	0.000	0.000	0.000	0.000	0.000	0.000
60	A	230	SER	0	0.041	0.022	37.578	0.002	0.002	0.000	0.000	0.000	0.000
61	A	231	ASP	-1	-0.749	-0.829	36.633	-0.107	-0.107	0.000	0.000	0.000	0.000
62	A	232	LYS	1	1.015	1.003	38.111	0.087	0.087	0.000	0.000	0.000	0.000
63	A	233	SER	0	-0.123	-0.092	40.308	0.006	0.006	0.000	0.000	0.000	0.000
64	A	234	GLY	0	0.012	0.008	41.882	0.004	0.004	0.000	0.000	0.000	0.000
65	A	235	LYS	1	0.872	0.934	38.001	0.102	0.102	0.000	0.000	0.000	0.000
66	A	236	ILE	0	0.017	-0.007	40.124	-0.006	-0.006	0.000	0.000	0.000	0.000
67	A	237	ILE	0	-0.062	-0.025	33.950	0.000	0.000	0.000	0.000	0.000	0.000
68	A	238	LYS	1	0.847	0.898	31.555	0.169	0.169	0.000	0.000	0.000	0.000
69	A	239	GLU	-1	-0.785	-0.861	37.200	-0.096	-0.096	0.000	0.000	0.000	0.000
70	A	240	VAL	0	-0.067	-0.024	34.604	-0.002	-0.002	0.000	0.000	0.000	0.000
71	A	241	PRO	0	0.014	0.013	37.237	0.004	0.004	0.000	0.000	0.000	0.000
72	A	242	LEU	0	-0.015	-0.024	36.848	-0.009	-0.009	0.000	0.000	0.000	0.000
73	A	243	SER	0	-0.042	-0.033	38.273	0.010	0.010	0.000	0.000	0.000	0.000
74	A	244	VAL	0	0.024	0.034	38.564	-0.008	-0.008	0.000	0.000	0.000	0.000
75	A	245	THR	0	-0.006	-0.023	38.133	0.005	0.005	0.000	0.000	0.000	0.000
76	A	246	ALA	0	0.062	0.011	40.762	0.001	0.001	0.000	0.000	0.000	0.000
77	A	247	SER	0	0.008	0.011	39.966	-0.009	-0.009	0.000	0.000	0.000	0.000
78	A	248	THR	0	0.012	-0.006	35.365	0.004	0.004	0.000	0.000	0.000	0.000
79	A	249	GLU	-1	-0.910	-0.942	38.371	-0.099	-0.099	0.000	0.000	0.000	0.000
80	A	250	ASP	-1	-0.751	-0.883	38.188	-0.124	-0.124	0.000	0.000	0.000	0.000
81	A	251	ASN	0	0.027	-0.003	40.654	0.002	0.002	0.000	0.000	0.000	0.000
82	A	252	PHE	0	-0.004	0.011	35.375	0.001	0.001	0.000	0.000	0.000	0.000
83	A	253	THR	0	0.055	0.007	35.443	-0.001	-0.001	0.000	0.000	0.000	0.000
84	A	254	LYS	1	0.870	0.944	37.177	0.094	0.094	0.000	0.000	0.000	0.000
85	A	255	LEU	0	-0.003	-0.002	37.885	0.004	0.004	0.000	0.000	0.000	0.000
86	A	256	LEU	0	-0.036	-0.012	32.197	0.000	0.000	0.000	0.000	0.000	0.000
87	A	257	ASP	-1	-0.899	-0.954	35.653	-0.114	-0.114	0.000	0.000	0.000	0.000
88	A	258	LYS	1	0.854	0.922	38.039	0.080	0.080	0.000	0.000	0.000	0.000
89	A	259	TRP	0	0.040	0.004	31.269	0.010	0.010	0.000	0.000	0.000	0.000
90	A	260	ASN	0	0.014	0.020	33.586	-0.001	-0.001	0.000	0.000	0.000	0.000
91	A	261	ASP	-1	-0.885	-0.936	35.982	-0.081	-0.081	0.000	0.000	0.000	0.000
92	A	262	VAL	0	-0.050	-0.041	37.806	0.006	0.006	0.000	0.000	0.000	0.000
93	A	263	THR	0	-0.098	-0.047	33.739	0.003	0.003	0.000	0.000	0.000	0.000
94	A	264	ILE	0	-0.031	-0.017	32.413	0.003	0.003	0.000	0.000	0.000	0.000
95	A	265	GLY	0	0.044	0.017	36.517	0.006	0.006	0.000	0.000	0.000	0.000
96	A	266	ASN	0	-0.037	-0.037	35.701	0.009	0.009	0.000	0.000	0.000	0.000
97	A	267	TYR	0	-0.042	-0.015	39.861	0.005	0.005	0.000	0.000	0.000	0.000
98	A	268	VAL	0	-0.058	-0.016	42.918	0.003	0.003	0.000	0.000	0.000	0.000
99	A	269	TYR	0	-0.003	-0.009	41.706	0.004	0.004	0.000	0.000	0.000	0.000
100	A	270	ASP	-1	-0.839	-0.926	44.061	-0.044	-0.044	0.000	0.000	0.000	0.000
101	A	271	THR	0	0.011	-0.004	46.412	0.000	0.000	0.000	0.000	0.000	0.000
102	A	272	ASN	0	-0.108	-0.060	47.704	0.003	0.003	0.000	0.000	0.000	0.000
103	A	273	ASP	-1	-0.794	-0.869	46.737	-0.037	-0.037	0.000	0.000	0.000	0.000
104	A	274	SER	0	0.034	-0.004	46.724	-0.001	-0.001	0.000	0.000	0.000	0.000
105	A	275	ASN	0	-0.031	-0.028	44.416	0.002	0.002	0.000	0.000	0.000	0.000
106	A	276	MET	0	-0.011	0.030	42.333	-0.003	-0.003	0.000	0.000	0.000	0.000
107	A	277	GLN	0	0.065	0.027	41.529	-0.006	-0.006	0.000	0.000	0.000	0.000
108	A	278	LYS	1	0.852	0.939	41.708	0.029	0.029	0.000	0.000	0.000	0.000
109	A	279	LEU	0	-0.069	-0.022	36.359	0.000	0.000	0.000	0.000	0.000	0.000
110	A	280	ASN	0	0.043	0.014	37.179	-0.008	-0.008	0.000	0.000	0.000	0.000
111	A	281	GLN	0	-0.030	-0.015	37.334	-0.003	-0.003	0.000	0.000	0.000	0.000
112	A	282	LYS	1	0.796	0.877	33.741	0.039	0.039	0.000	0.000	0.000	0.000
113	A	283	LEU	0	0.013	0.015	31.129	-0.001	-0.001	0.000	0.000	0.000	0.000
114	A	284	ASP	-1	-0.655	-0.775	32.497	-0.086	-0.086	0.000	0.000	0.000	0.000
115	A	285	GLU	-1	-0.846	-0.898	33.499	-0.044	-0.044	0.000	0.000	0.000	0.000
116	A	286	THR	0	-0.016	-0.033	28.821	0.002	0.002	0.000	0.000	0.000	0.000
117	A	287	ASN	0	-0.003	-0.018	28.749	-0.006	-0.006	0.000	0.000	0.000	0.000
118	A	288	ALA	0	-0.012	-0.004	28.828	-0.010	-0.010	0.000	0.000	0.000	0.000
119	A	289	LYN	0	0.029	0.033	28.786	-0.002	-0.002	0.000	0.000	0.000	0.000
120	A	290	ASN	0	0.009	0.005	24.724	0.001	0.001	0.000	0.000	0.000	0.000
121	A	291	ILE	0	-0.013	-0.010	24.683	-0.015	-0.015	0.000	0.000	0.000	0.000
122	A	292	GLU	-1	-1.001	-0.992	26.017	-0.083	-0.083	0.000	0.000	0.000	0.000
123	A	293	ALA	0	0.053	0.035	24.208	-0.002	-0.002	0.000	0.000	0.000	0.000
124	A	294	ILE	0	-0.087	-0.028	19.981	-0.001	-0.001	0.000	0.000	0.000	0.000
125	A	295	LYS	1	0.840	0.918	17.556	0.120	0.120	0.000	0.000	0.000	0.000
126	A	296	LEU	0	0.027	-0.005	18.840	-0.041	-0.041	0.000	0.000	0.000	0.000
127	A	297	ASP	-1	-0.845	-0.903	16.936	-0.325	-0.325	0.000	0.000	0.000	0.000
128	A	298	SER	0	-0.028	-0.013	16.369	-0.051	-0.051	0.000	0.000	0.000	0.000
129	A	299	ASN	0	-0.031	-0.027	12.594	-0.080	-0.080	0.000	0.000	0.000	0.000
130	A	300	ARG	1	0.851	0.938	11.964	0.436	0.436	0.000	0.000	0.000	0.000
131	A	301	THR	0	0.063	-0.002	8.206	-0.086	-0.086	0.000	0.000	0.000	0.000
132	A	302	PHE	0	-0.051	-0.020	10.503	0.036	0.036	0.000	0.000	0.000	0.000
133	A	303	LEU	0	0.035	0.022	13.267	-0.016	-0.016	0.000	0.000	0.000	0.000
134	A	304	TRP	0	0.023	-0.013	16.764	0.012	0.012	0.000	0.000	0.000	0.000
135	A	305	LYS	1	0.873	0.919	17.272	-0.098	-0.098	0.000	0.000	0.000	0.000
136	A	306	ASP	-1	-0.848	-0.886	18.515	0.007	0.007	0.000	0.000	0.000	0.000
137	A	307	LEU	0	-0.068	-0.043	16.838	0.012	0.012	0.000	0.000	0.000	0.000
138	A	308	ASP	-1	-0.867	-0.919	14.379	0.163	0.163	0.000	0.000	0.000	0.000
139	A	309	ASN	0	0.061	0.029	10.174	0.111	0.111	0.000	0.000	0.000	0.000
140	A	310	LEU	0	0.019	0.005	10.048	-0.008	-0.008	0.000	0.000	0.000	0.000
141	A	311	ASN	0	0.024	0.017	5.536	-0.570	-0.570	0.000	0.000	0.000	0.000
142	A	312	ASN	0	-0.037	-0.002	8.891	-0.050	-0.050	0.000	0.000	0.000	0.000
143	A	313	SER	0	0.027	-0.027	12.460	-0.050	-0.050	0.000	0.000	0.000	0.000
144	A	314	ALA	0	0.019	0.022	14.015	-0.040	-0.040	0.000	0.000	0.000	0.000
145	A	315	GLN	0	0.004	-0.002	14.393	-0.028	-0.028	0.000	0.000	0.000	0.000
146	A	316	LEU	0	0.019	0.037	11.932	-0.024	-0.024	0.000	0.000	0.000	0.000
147	A	317	THR	0	-0.017	-0.049	14.933	-0.037	-0.037	0.000	0.000	0.000	0.000
148	A	318	ALA	0	-0.062	-0.028	18.380	-0.004	-0.004	0.000	0.000	0.000	0.000
149	A	319	THR	0	0.007	-0.008	15.886	0.004	0.004	0.000	0.000	0.000	0.000
150	A	320	TYR	0	0.034	-0.006	15.240	-0.026	-0.026	0.000	0.000	0.000	0.000
151	A	321	ARG	1	0.958	0.980	19.816	0.117	0.117	0.000	0.000	0.000	0.000
152	A	322	ARG	1	0.813	0.898	21.368	0.082	0.082	0.000	0.000	0.000	0.000
153	A	323	LEU	0	-0.013	-0.003	19.223	0.003	0.003	0.000	0.000	0.000	0.000
154	A	324	GLU	-1	-0.808	-0.874	23.622	-0.135	-0.135	0.000	0.000	0.000	0.000
155	A	325	ASP	-1	-0.851	-0.927	25.884	-0.094	-0.094	0.000	0.000	0.000	0.000
156	A	326	LEU	0	-0.027	0.002	25.408	0.009	0.009	0.000	0.000	0.000	0.000
157	A	327	ALA	0	0.021	0.002	27.580	0.006	0.006	0.000	0.000	0.000	0.000
158	A	328	LYS	1	0.784	0.898	28.688	0.119	0.119	0.000	0.000	0.000	0.000
159	A	329	GLN	0	0.048	-0.004	31.982	0.005	0.005	0.000	0.000	0.000	0.000
160	A	330	ILE	0	0.004	0.017	29.060	0.003	0.003	0.000	0.000	0.000	0.000
161	A	331	THR	0	-0.046	-0.040	32.916	0.005	0.005	0.000	0.000	0.000	0.000
162	A	332	ASN	0	-0.020	-0.007	35.390	0.007	0.007	0.000	0.000	0.000	0.000
163	A	333	PRO	0	-0.033	-0.046	37.839	0.000	0.000	0.000	0.000	0.000	0.000
164	A	334	HIS	0	-0.003	0.004	40.730	0.004	0.004	0.000	0.000	0.000	0.000
165	A	335	SER	0	-0.025	0.004	35.921	0.001	0.001	0.000	0.000	0.000	0.000
166	A	336	THR	0	-0.077	-0.078	36.855	-0.002	-0.002	0.000	0.000	0.000	0.000
167	A	337	ILE	0	-0.068	-0.047	31.148	-0.004	-0.004	0.000	0.000	0.000	0.000
168	A	338	TYR	0	0.049	0.049	34.377	-0.009	-0.009	0.000	0.000	0.000	0.000
169	A	339	LYS	1	0.853	0.920	35.101	0.098	0.098	0.000	0.000	0.000	0.000
170	A	340	ASN	0	0.013	0.022	32.664	-0.009	-0.009	0.000	0.000	0.000	0.000
171	A	341	GLU	-1	-0.697	-0.827	31.484	-0.163	-0.163	0.000	0.000	0.000	0.000
172	A	342	LYS	1	0.982	1.004	26.148	0.154	0.154	0.000	0.000	0.000	0.000
173	A	343	ALA	0	0.016	0.017	27.952	-0.015	-0.015	0.000	0.000	0.000	0.000
174	A	344	ILE	0	0.026	0.003	27.366	-0.015	-0.015	0.000	0.000	0.000	0.000
175	A	345	ARG	1	0.767	0.863	26.257	0.185	0.185	0.000	0.000	0.000	0.000
176	A	346	THR	0	-0.004	-0.003	23.227	-0.024	-0.024	0.000	0.000	0.000	0.000
177	A	347	VAL	0	0.004	0.011	22.460	-0.027	-0.027	0.000	0.000	0.000	0.000
178	A	348	LYS	1	0.805	0.877	22.219	0.225	0.225	0.000	0.000	0.000	0.000
179	A	349	GLU	-1	-0.937	-0.974	20.596	-0.317	-0.317	0.000	0.000	0.000	0.000
180	A	350	SER	0	-0.026	-0.031	18.136	-0.062	-0.062	0.000	0.000	0.000	0.000
181	A	351	LEU	0	-0.019	-0.002	17.221	-0.050	-0.050	0.000	0.000	0.000	0.000
182	A	352	ALA	0	0.014	0.019	17.332	-0.058	-0.058	0.000	0.000	0.000	0.000
183	A	353	TRP	0	0.000	-0.017	11.473	-0.054	-0.054	0.000	0.000	0.000	0.000
184	A	354	LEU	0	-0.004	-0.001	12.980	-0.144	-0.144	0.000	0.000	0.000	0.000
185	A	355	HIS	0	-0.044	0.002	12.731	-0.121	-0.121	0.000	0.000	0.000	0.000
186	A	356	GLN	0	-0.020	-0.017	11.098	0.036	0.036	0.000	0.000	0.000	0.000
187	A	357	ASN	0	-0.028	-0.015	8.622	-0.492	-0.492	0.000	0.000	0.000	0.000
188	A	358	PHE	0	-0.011	-0.026	7.171	-0.473	-0.473	0.000	0.000	0.000	0.000
189	A	359	TYR	0	-0.039	-0.022	9.823	0.054	0.054	0.000	0.000	0.000	0.000
190	A	360	ASN	0	0.050	-0.007	10.719	0.093	0.093	0.000	0.000	0.000	0.000
191	A	361	VAL	0	0.021	-0.010	13.432	-0.030	-0.030	0.000	0.000	0.000	0.000
192	A	362	ASN	0	-0.059	-0.008	11.067	0.135	0.135	0.000	0.000	0.000	0.000
193	A	363	LYS	1	0.849	0.949	5.868	2.509	2.509	0.000	0.000	0.000	0.000
194	A	364	ASP	-1	-0.837	-0.916	9.930	-0.546	-0.546	0.000	0.000	0.000	0.000
195	A	365	ILE	0	-0.096	-0.050	10.830	-0.027	-0.027	0.000	0.000	0.000	0.000
196	A	366	GLU	-1	-0.863	-0.943	7.722	-0.667	-0.667	0.000	0.000	0.000	0.000
197	A	367	GLY	0	0.001	0.007	11.158	0.069	0.069	0.000	0.000	0.000	0.000
198	A	368	SER	0	-0.033	-0.018	10.934	0.051	0.051	0.000	0.000	0.000	0.000
199	A	369	ALA	0	-0.084	-0.028	11.767	0.010	0.010	0.000	0.000	0.000	0.000
200	A	370	ASN	0	0.005	-0.007	13.651	0.002	0.002	0.000	0.000	0.000	0.000
201	A	371	TRP	0	0.082	0.020	17.205	-0.030	-0.030	0.000	0.000	0.000	0.000
202	A	372	TRP	0	-0.001	0.011	18.463	-0.027	-0.027	0.000	0.000	0.000	0.000
203	A	373	ASP	-1	-0.759	-0.849	16.737	-0.094	-0.094	0.000	0.000	0.000	0.000
204	A	374	PHE	0	0.041	0.020	10.908	0.006	0.006	0.000	0.000	0.000	0.000
205	A	375	GLU	-1	-0.776	-0.878	17.109	-0.199	-0.199	0.000	0.000	0.000	0.000
206	A	376	ILE	0	-0.032	-0.014	20.658	0.008	0.008	0.000	0.000	0.000	0.000
207	A	377	GLY	0	-0.034	-0.024	20.952	-0.001	-0.001	0.000	0.000	0.000	0.000
208	A	378	VAL	0	0.023	0.006	16.128	0.005	0.005	0.000	0.000	0.000	0.000
209	A	379	PRO	0	0.007	0.022	19.187	0.002	0.002	0.000	0.000	0.000	0.000
210	A	380	ARG	1	0.863	0.922	21.850	0.116	0.116	0.000	0.000	0.000	0.000
211	A	381	SER	0	-0.059	-0.035	21.732	0.002	0.002	0.000	0.000	0.000	0.000
212	A	382	ILE	0	-0.002	0.005	18.133	0.004	0.004	0.000	0.000	0.000	0.000
213	A	383	THR	0	-0.006	-0.022	22.744	0.009	0.009	0.000	0.000	0.000	0.000
214	A	384	GLY	0	0.014	0.014	26.014	0.010	0.010	0.000	0.000	0.000	0.000
215	A	385	THR	0	-0.003	-0.026	24.212	0.010	0.010	0.000	0.000	0.000	0.000
216	A	386	LEU	0	-0.050	-0.026	23.238	0.004	0.004	0.000	0.000	0.000	0.000
217	A	387	SER	0	0.001	-0.002	27.235	0.007	0.007	0.000	0.000	0.000	0.000
218	A	388	LEU	0	-0.012	0.009	29.767	0.009	0.009	0.000	0.000	0.000	0.000
219	A	389	MET	0	-0.062	-0.019	28.168	0.006	0.006	0.000	0.000	0.000	0.000
220	A	390	ASN	0	0.103	0.055	30.319	-0.019	-0.019	0.000	0.000	0.000	0.000
221	A	391	ASN	0	-0.011	-0.012	31.636	-0.012	-0.012	0.000	0.000	0.000	0.000
222	A	392	TYR	0	0.060	0.028	30.011	0.007	0.007	0.000	0.000	0.000	0.000
223	A	393	PHE	0	-0.018	0.004	23.693	-0.018	-0.018	0.000	0.000	0.000	0.000
224	A	394	THR	0	0.017	-0.005	27.404	0.013	0.013	0.000	0.000	0.000	0.000
225	A	395	ASP	-1	-0.754	-0.903	27.968	-0.193	-0.193	0.000	0.000	0.000	0.000
226	A	396	ALA	0	0.002	0.005	26.314	-0.009	-0.009	0.000	0.000	0.000	0.000
227	A	397	GLU	-1	-0.781	-0.861	23.677	-0.303	-0.303	0.000	0.000	0.000	0.000
228	A	398	ILE	0	0.035	0.021	23.211	-0.028	-0.028	0.000	0.000	0.000	0.000
229	A	399	LYS	1	0.896	0.951	23.964	0.298	0.298	0.000	0.000	0.000	0.000
230	A	400	THR	0	-0.009	-0.011	19.241	-0.016	-0.016	0.000	0.000	0.000	0.000
231	A	401	TYR	0	-0.007	-0.021	18.851	-0.052	-0.052	0.000	0.000	0.000	0.000
232	A	402	THR	0	-0.005	-0.021	19.889	-0.001	-0.001	0.000	0.000	0.000	0.000
233	A	403	ASP	-1	-0.794	-0.854	20.138	-0.330	-0.330	0.000	0.000	0.000	0.000
234	A	404	PRO	0	-0.023	-0.006	15.987	0.005	0.005	0.000	0.000	0.000	0.000
235	A	405	ILE	0	-0.020	-0.002	18.018	0.014	0.014	0.000	0.000	0.000	0.000
236	A	406	GLU	-1	-0.832	-0.866	20.752	-0.199	-0.199	0.000	0.000	0.000	0.000
237	A	407	HIS	0	-0.037	-0.016	14.514	0.073	0.073	0.000	0.000	0.000	0.000
238	A	408	PHE	0	-0.023	-0.017	13.043	0.025	0.025	0.000	0.000	0.000	0.000
239	A	409	VAL	0	-0.066	-0.026	19.145	0.035	0.035	0.000	0.000	0.000	0.000
240	A	410	PRO	0	0.033	0.033	22.017	0.014	0.014	0.000	0.000	0.000	0.000
241	A	411	ASP	-1	-0.815	-0.904	24.818	-0.106	-0.106	0.000	0.000	0.000	0.000
242	A	412	ALA	0	0.058	0.016	27.719	0.003	0.003	0.000	0.000	0.000	0.000
243	A	413	GLU	-1	-0.799	-0.873	29.789	-0.072	-0.072	0.000	0.000	0.000	0.000
244	A	414	TYR	0	-0.088	-0.041	27.280	0.016	0.016	0.000	0.000	0.000	0.000
245	A	415	PHE	0	0.035	0.023	23.992	-0.009	-0.009	0.000	0.000	0.000	0.000
246	A	416	ARG	1	0.833	0.897	21.073	0.084	0.084	0.000	0.000	0.000	0.000
247	A	417	LYS	1	0.834	0.911	22.159	0.132	0.132	0.000	0.000	0.000	0.000
248	A	418	THR	0	0.023	0.028	17.395	0.024	0.024	0.000	0.000	0.000	0.000
249	A	419	LEU	0	-0.009	-0.001	16.379	0.000	0.000	0.000	0.000	0.000	0.000
250	A	420	VAL	0	0.042	0.008	20.025	0.007	0.007	0.000	0.000	0.000	0.000
251	A	421	ASN	0	-0.036	-0.015	22.469	-0.002	-0.002	0.000	0.000	0.000	0.000
252	A	422	PRO	0	0.050	0.040	24.450	0.002	0.002	0.000	0.000	0.000	0.000
253	A	423	PHE	0	-0.068	-0.046	25.035	0.015	0.015	0.000	0.000	0.000	0.000
254	A	424	LYS	1	0.860	0.916	28.577	0.062	0.062	0.000	0.000	0.000	0.000
255	A	425	ALA	0	-0.033	-0.008	29.339	0.006	0.006	0.000	0.000	0.000	0.000
256	A	426	LEU	0	0.059	0.003	30.932	0.002	0.002	0.000	0.000	0.000	0.000
257	A	427	GLY	0	0.057	0.018	33.215	0.001	0.001	0.000	0.000	0.000	0.000
258	A	428	GLY	0	0.051	0.013	33.474	-0.005	-0.005	0.000	0.000	0.000	0.000
259	A	429	ASN	0	-0.017	-0.008	28.747	-0.008	-0.008	0.000	0.000	0.000	0.000
260	A	430	LEU	0	-0.013	0.021	30.027	-0.010	-0.010	0.000	0.000	0.000	0.000
261	A	431	VAL	0	-0.001	0.006	32.454	-0.006	-0.006	0.000	0.000	0.000	0.000
262	A	432	ASP	-1	-0.809	-0.890	27.903	-0.099	-0.099	0.000	0.000	0.000	0.000
263	A	433	MET	0	-0.011	0.017	26.476	-0.015	-0.015	0.000	0.000	0.000	0.000
264	A	434	GLY	0	0.025	0.011	29.170	-0.010	-0.010	0.000	0.000	0.000	0.000
265	A	435	ARG	1	0.838	0.912	30.115	0.081	0.081	0.000	0.000	0.000	0.000
266	A	436	VAL	0	-0.016	-0.001	24.553	-0.006	-0.006	0.000	0.000	0.000	0.000
267	A	437	LYS	1	0.881	0.915	25.747	0.190	0.190	0.000	0.000	0.000	0.000
268	A	438	ILE	0	-0.005	0.019	29.024	-0.003	-0.003	0.000	0.000	0.000	0.000
269	A	439	ILE	0	0.022	0.008	29.519	-0.002	-0.002	0.000	0.000	0.000	0.000
270	A	440	GLH	0	-0.006	-0.059	24.802	-0.004	-0.004	0.000	0.000	0.000	0.000
271	A	441	GLY	0	-0.004	-0.007	28.166	-0.009	-0.009	0.000	0.000	0.000	0.000
272	A	442	LEU	0	-0.037	-0.010	30.984	0.001	0.001	0.000	0.000	0.000	0.000
273	A	443	LEU	0	-0.052	-0.026	27.025	-0.002	-0.002	0.000	0.000	0.000	0.000
274	A	444	ARG	1	0.779	0.878	23.798	0.265	0.265	0.000	0.000	0.000	0.000
275	A	445	LYS	1	0.803	0.907	29.788	0.146	0.146	0.000	0.000	0.000	0.000
276	A	446	ASP	-1	-0.794	-0.869	30.872	-0.159	-0.159	0.000	0.000	0.000	0.000
277	A	447	ASN	0	0.033	-0.026	33.133	-0.002	-0.002	0.000	0.000	0.000	0.000
278	A	448	THR	0	-0.065	-0.037	33.016	0.007	0.007	0.000	0.000	0.000	0.000
279	A	449	ILE	0	0.024	0.022	28.074	0.005	0.005	0.000	0.000	0.000	0.000
280	A	450	ILE	0	-0.004	0.014	32.104	0.006	0.006	0.000	0.000	0.000	0.000
281	A	451	GLU	-1	-0.847	-0.892	34.719	-0.094	-0.094	0.000	0.000	0.000	0.000
282	A	452	LYS	1	0.872	0.926	33.060	0.124	0.124	0.000	0.000	0.000	0.000
283	A	453	THR	0	-0.025	-0.032	31.866	0.002	0.002	0.000	0.000	0.000	0.000
284	A	454	SER	0	-0.018	-0.017	33.716	0.007	0.007	0.000	0.000	0.000	0.000
285	A	455	HIS	0	-0.067	-0.033	36.956	0.009	0.009	0.000	0.000	0.000	0.000
286	A	456	SER	0	0.003	-0.020	32.556	0.009	0.009	0.000	0.000	0.000	0.000
287	A	457	LEU	0	0.005	-0.004	34.540	0.006	0.006	0.000	0.000	0.000	0.000
288	A	458	LYS	1	0.865	0.929	36.732	0.071	0.071	0.000	0.000	0.000	0.000
289	A	459	ASN	0	-0.062	-0.031	37.004	0.009	0.009	0.000	0.000	0.000	0.000
290	A	460	LEU	0	-0.049	-0.019	36.261	0.005	0.005	0.000	0.000	0.000	0.000
291	A	461	PHE	0	-0.053	-0.035	39.640	0.004	0.004	0.000	0.000	0.000	0.000
292	A	462	THR	0	0.027	0.009	41.544	0.002	0.002	0.000	0.000	0.000	0.000
293	A	463	THR	0	-0.047	-0.022	44.438	0.001	0.001	0.000	0.000	0.000	0.000
294	A	464	ALA	0	-0.009	0.008	42.673	0.000	0.000	0.000	0.000	0.000	0.000
295	A	465	THR	0	0.004	-0.015	44.584	0.002	0.002	0.000	0.000	0.000	0.000
296	A	466	LYS	1	0.944	0.951	42.281	0.014	0.014	0.000	0.000	0.000	0.000
297	A	467	ALA	0	-0.015	0.025	38.609	-0.002	-0.002	0.000	0.000	0.000	0.000
298	A	468	GLU	-1	-0.811	-0.893	35.764	-0.018	-0.018	0.000	0.000	0.000	0.000
299	A	469	GLY	0	0.016	0.022	39.259	-0.003	-0.003	0.000	0.000	0.000	0.000
300	A	470	PHE	0	0.010	-0.007	41.143	0.004	0.004	0.000	0.000	0.000	0.000
301	A	471	TYR	0	0.009	-0.016	43.234	0.000	0.000	0.000	0.000	0.000	0.000
302	A	472	ALA	0	0.027	0.010	47.514	-0.001	-0.001	0.000	0.000	0.000	0.000
303	A	473	ASP	-1	-0.805	-0.852	50.539	-0.013	-0.013	0.000	0.000	0.000	0.000
304	A	474	GLY	0	0.018	0.009	49.254	0.001	0.001	0.000	0.000	0.000	0.000
305	A	475	SER	0	-0.024	-0.036	47.234	0.000	0.000	0.000	0.000	0.000	0.000
306	A	476	TYR	0	-0.038	-0.049	37.310	-0.003	-0.003	0.000	0.000	0.000	0.000
307	A	477	ILE	0	-0.023	0.010	40.411	0.003	0.003	0.000	0.000	0.000	0.000
308	A	478	ASP	-1	-0.815	-0.916	35.202	-0.030	-0.030	0.000	0.000	0.000	0.000
309	A	479	HIS	1	0.797	0.869	32.259	0.010	0.010	0.000	0.000	0.000	0.000
310	A	480	THR	0	-0.010	-0.009	35.787	0.006	0.006	0.000	0.000	0.000	0.000
311	A	481	ASN	0	-0.024	-0.018	37.993	-0.001	-0.001	0.000	0.000	0.000	0.000
312	A	482	VAL	0	0.024	0.023	38.474	0.003	0.003	0.000	0.000	0.000	0.000
313	A	483	ALA	0	0.045	0.021	41.078	-0.004	-0.004	0.000	0.000	0.000	0.000
314	A	484	TYR	0	-0.075	-0.072	36.401	0.002	0.002	0.000	0.000	0.000	0.000
315	A	485	THR	0	0.037	0.008	40.402	-0.002	-0.002	0.000	0.000	0.000	0.000
316	A	486	GLY	0	0.043	0.012	42.045	-0.003	-0.003	0.000	0.000	0.000	0.000
317	A	487	ALA	0	-0.071	-0.015	37.405	0.001	0.001	0.000	0.000	0.000	0.000
318	A	488	TYR	0	0.018	0.002	31.420	0.000	0.000	0.000	0.000	0.000	0.000
319	A	489	GLY	0	0.044	0.033	36.867	-0.005	-0.005	0.000	0.000	0.000	0.000
320	A	490	ASN	0	-0.040	-0.051	39.177	-0.003	-0.003	0.000	0.000	0.000	0.000
321	A	491	VAL	0	0.007	0.005	32.789	-0.004	-0.004	0.000	0.000	0.000	0.000
322	A	492	LEU	0	-0.044	0.000	36.025	-0.006	-0.006	0.000	0.000	0.000	0.000
323	A	493	ILE	0	0.044	0.013	36.969	-0.005	-0.005	0.000	0.000	0.000	0.000
324	A	494	ASP	-1	-0.779	-0.846	36.972	-0.056	-0.056	0.000	0.000	0.000	0.000
325	A	495	GLY	0	-0.016	-0.035	35.039	-0.004	-0.004	0.000	0.000	0.000	0.000
326	A	496	LEU	0	0.003	0.002	35.912	-0.005	-0.005	0.000	0.000	0.000	0.000
327	A	497	THR	0	-0.042	-0.030	38.273	-0.003	-0.003	0.000	0.000	0.000	0.000
328	A	498	GLN	0	-0.054	-0.018	34.451	0.003	0.003	0.000	0.000	0.000	0.000
329	A	499	LEU	0	0.005	0.007	34.022	-0.003	-0.003	0.000	0.000	0.000	0.000
330	A	500	LEU	0	0.031	0.011	37.469	-0.002	-0.002	0.000	0.000	0.000	0.000
331	A	501	PRO	0	0.007	-0.003	40.529	-0.001	-0.001	0.000	0.000	0.000	0.000
332	A	502	ILE	0	0.020	0.016	36.463	0.000	0.000	0.000	0.000	0.000	0.000
333	A	503	ILE	0	0.033	0.025	37.317	-0.001	-0.001	0.000	0.000	0.000	0.000
334	A	504	GLN	0	0.018	0.001	40.082	-0.002	-0.002	0.000	0.000	0.000	0.000
335	A	505	GLU	-1	-0.840	-0.883	42.088	-0.069	-0.069	0.000	0.000	0.000	0.000
336	A	506	THR	0	-0.053	-0.019	38.370	-0.003	-0.003	0.000	0.000	0.000	0.000
337	A	507	ASP	-1	-0.894	-0.949	41.596	-0.084	-0.084	0.000	0.000	0.000	0.000
338	A	508	TYR	0	-0.085	-0.064	39.442	0.003	0.003	0.000	0.000	0.000	0.000
339	A	509	LYS	1	0.850	0.942	41.582	0.070	0.070	0.000	0.000	0.000	0.000
340	A	510	ILE	0	-0.059	-0.043	42.026	0.001	0.001	0.000	0.000	0.000	0.000
341	A	511	SER	0	-0.018	-0.045	44.544	0.002	0.002	0.000	0.000	0.000	0.000
342	A	512	ASN	0	0.050	0.002	48.176	-0.001	-0.001	0.000	0.000	0.000	0.000
343	A	513	GLN	0	0.084	0.041	49.632	0.001	0.001	0.000	0.000	0.000	0.000
344	A	514	GLU	-1	-0.798	-0.847	44.039	-0.057	-0.057	0.000	0.000	0.000	0.000
345	A	515	LEU	0	0.030	0.003	46.734	0.000	0.000	0.000	0.000	0.000	0.000
346	A	516	ASP	-1	-0.850	-0.920	48.097	-0.036	-0.036	0.000	0.000	0.000	0.000
347	A	517	MET	0	-0.071	-0.009	46.585	0.002	0.002	0.000	0.000	0.000	0.000
348	A	518	VAL	0	0.020	0.014	44.144	0.002	0.002	0.000	0.000	0.000	0.000
349	A	519	TYR	0	0.046	0.009	46.648	0.003	0.003	0.000	0.000	0.000	0.000
350	A	520	LYS	1	0.892	0.956	49.334	0.029	0.029	0.000	0.000	0.000	0.000
351	A	521	TRP	0	0.000	-0.001	42.338	0.002	0.002	0.000	0.000	0.000	0.000
352	A	522	ILE	0	0.001	0.007	46.590	0.002	0.002	0.000	0.000	0.000	0.000
353	A	523	ASN	0	-0.009	-0.023	48.775	0.002	0.002	0.000	0.000	0.000	0.000
354	A	524	GLN	0	-0.037	-0.020	50.962	0.000	0.000	0.000	0.000	0.000	0.000
355	A	525	SER	0	-0.033	-0.039	46.719	0.001	0.001	0.000	0.000	0.000	0.000
356	A	526	PHE	0	-0.021	-0.019	42.215	0.001	0.001	0.000	0.000	0.000	0.000
357	A	527	LEU	0	0.013	0.019	48.076	0.002	0.002	0.000	0.000	0.000	0.000
358	A	528	PRO	0	-0.034	-0.007	51.067	0.001	0.001	0.000	0.000	0.000	0.000
359	A	529	LEU	0	-0.036	-0.026	47.062	0.002	0.002	0.000	0.000	0.000	0.000
360	A	530	ILE	0	-0.033	-0.006	47.675	0.001	0.001	0.000	0.000	0.000	0.000
361	A	531	VAL	0	-0.001	-0.001	51.090	0.000	0.000	0.000	0.000	0.000	0.000
362	A	532	LYS	1	0.795	0.896	53.444	0.009	0.009	0.000	0.000	0.000	0.000
363	A	533	GLY	0	0.023	0.009	52.030	0.001	0.001	0.000	0.000	0.000	0.000
364	A	534	GLU	-1	-0.852	-0.906	48.876	-0.007	-0.007	0.000	0.000	0.000	0.000
365	A	535	LEU	0	-0.022	-0.009	43.792	0.000	0.000	0.000	0.000	0.000	0.000
366	A	536	MET	0	-0.016	-0.005	46.905	0.002	0.002	0.000	0.000	0.000	0.000
367	A	537	ASP	-1	-0.687	-0.843	45.339	-0.002	-0.002	0.000	0.000	0.000	0.000
368	A	538	MET	0	-0.055	0.013	44.996	0.000	0.000	0.000	0.000	0.000	0.000
369	A	539	SER	0	0.015	0.009	44.870	0.000	0.000	0.000	0.000	0.000	0.000
370	A	540	ARG	1	0.775	0.870	41.024	0.004	0.004	0.000	0.000	0.000	0.000
371	A	541	GLY	0	0.088	0.036	39.708	0.000	0.000	0.000	0.000	0.000	0.000
372	A	542	ARG	1	0.789	0.872	31.698	-0.006	-0.006	0.000	0.000	0.000	0.000
373	A	543	SER	0	-0.015	-0.016	37.370	0.002	0.002	0.000	0.000	0.000	0.000
374	A	544	ILE	0	0.001	0.018	38.350	-0.001	-0.001	0.000	0.000	0.000	0.000
375	A	545	SER	0	-0.040	-0.019	37.745	0.002	0.002	0.000	0.000	0.000	0.000
376	A	546	ARG	1	0.817	0.874	32.101	0.004	0.004	0.000	0.000	0.000	0.000
377	A	547	GLU	-1	-0.817	-0.895	37.964	0.009	0.009	0.000	0.000	0.000	0.000
378	A	548	ALA	0	-0.018	-0.016	36.584	-0.002	-0.002	0.000	0.000	0.000	0.000
379	A	549	ALA	0	-0.037	-0.005	37.274	-0.004	-0.004	0.000	0.000	0.000	0.000
380	A	550	SER	0	0.060	0.033	39.325	0.001	0.001	0.000	0.000	0.000	0.000
381	A	551	SER	0	0.057	-0.005	43.117	-0.002	-0.002	0.000	0.000	0.000	0.000
382	A	552	HIS	0	0.046	0.029	45.587	-0.004	-0.004	0.000	0.000	0.000	0.000
383	A	553	ALA	0	-0.029	-0.002	41.786	-0.003	-0.003	0.000	0.000	0.000	0.000
384	A	554	ALA	0	0.023	0.008	41.739	-0.003	-0.003	0.000	0.000	0.000	0.000
385	A	555	ALA	0	0.038	0.026	42.765	-0.002	-0.002	0.000	0.000	0.000	0.000
386	A	556	VAL	0	-0.011	-0.011	43.478	-0.002	-0.002	0.000	0.000	0.000	0.000
387	A	557	GLU	-1	-0.930	-0.954	37.368	-0.035	-0.035	0.000	0.000	0.000	0.000
388	A	558	VAL	0	0.013	0.024	41.116	-0.004	-0.004	0.000	0.000	0.000	0.000
389	A	559	LEU	0	-0.024	-0.011	43.211	-0.002	-0.002	0.000	0.000	0.000	0.000
390	A	560	ARG	1	0.804	0.903	37.235	0.044	0.044	0.000	0.000	0.000	0.000
391	A	561	GLY	0	0.055	0.022	42.286	-0.003	-0.003	0.000	0.000	0.000	0.000
392	A	562	PHE	0	-0.006	-0.032	42.911	-0.001	-0.001	0.000	0.000	0.000	0.000
393	A	563	LEU	0	0.000	0.008	46.397	0.000	0.000	0.000	0.000	0.000	0.000
394	A	564	ARG	1	0.807	0.900	39.333	0.057	0.057	0.000	0.000	0.000	0.000
395	A	565	LEU	0	-0.008	-0.007	45.011	-0.001	-0.001	0.000	0.000	0.000	0.000
396	A	566	ALA	0	0.010	0.005	46.571	0.000	0.000	0.000	0.000	0.000	0.000
397	A	567	ASN	0	-0.024	-0.025	47.957	0.003	0.003	0.000	0.000	0.000	0.000
398	A	568	MET	0	-0.066	-0.004	44.831	-0.001	-0.001	0.000	0.000	0.000	0.000
399	A	569	SER	0	-0.018	-0.028	48.930	-0.001	-0.001	0.000	0.000	0.000	0.000
400	A	570	ASN	0	0.010	-0.012	52.610	0.001	0.001	0.000	0.000	0.000	0.000
401	A	571	GLU	-1	-0.812	-0.867	53.986	-0.040	-0.040	0.000	0.000	0.000	0.000
402	A	572	GLU	-1	-0.868	-0.949	56.990	-0.028	-0.028	0.000	0.000	0.000	0.000
403	A	573	ARG	1	0.893	0.940	52.927	0.039	0.039	0.000	0.000	0.000	0.000
404	A	574	ASN	0	-0.045	-0.010	51.888	-0.001	-0.001	0.000	0.000	0.000	0.000
405	A	575	LEU	0	0.010	-0.006	54.237	0.000	0.000	0.000	0.000	0.000	0.000
406	A	576	ASP	-1	-0.816	-0.887	57.057	-0.024	-0.024	0.000	0.000	0.000	0.000
407	A	577	LEU	0	-0.006	-0.005	49.426	0.001	0.001	0.000	0.000	0.000	0.000
408	A	578	LYS	1	0.894	0.944	52.518	0.040	0.040	0.000	0.000	0.000	0.000
409	A	579	SER	0	0.012	-0.003	54.088	0.001	0.001	0.000	0.000	0.000	0.000
410	A	580	THR	0	-0.019	-0.005	53.759	0.002	0.002	0.000	0.000	0.000	0.000
411	A	581	ILE	0	0.002	0.002	49.286	0.001	0.001	0.000	0.000	0.000	0.000
412	A	582	LYS	1	0.887	0.964	52.586	0.029	0.029	0.000	0.000	0.000	0.000
413	A	583	THR	0	-0.011	-0.002	54.820	0.002	0.002	0.000	0.000	0.000	0.000
414	A	584	ILE	0	-0.034	-0.003	51.485	0.002	0.002	0.000	0.000	0.000	0.000
415	A	585	ILE	0	-0.019	-0.018	48.774	0.001	0.001	0.000	0.000	0.000	0.000
416	A	586	THR	0	-0.003	-0.013	52.760	0.002	0.002	0.000	0.000	0.000	0.000
417	A	587	SER	0	-0.038	-0.020	56.074	0.002	0.002	0.000	0.000	0.000	0.000
418	A	588	ASN	0	-0.049	-0.021	50.666	0.003	0.003	0.000	0.000	0.000	0.000
419	A	589	LYS	1	0.910	0.937	53.907	0.014	0.014	0.000	0.000	0.000	0.000
420	A	590	PHE	0	-0.039	-0.002	49.427	0.001	0.001	0.000	0.000	0.000	0.000
421	A	591	TYR	0	0.020	0.003	43.177	-0.001	-0.001	0.000	0.000	0.000	0.000
422	A	592	ASN	0	0.050	0.023	47.305	-0.002	-0.002	0.000	0.000	0.000	0.000
423	A	593	VAL	0	0.088	0.026	46.920	-0.001	-0.001	0.000	0.000	0.000	0.000
424	A	594	PHE	0	0.028	0.008	45.232	-0.001	-0.001	0.000	0.000	0.000	0.000
425	A	595	ASN	0	-0.035	-0.004	43.511	-0.003	-0.003	0.000	0.000	0.000	0.000
426	A	596	ASN	0	-0.113	-0.072	39.488	-0.001	-0.001	0.000	0.000	0.000	0.000
427	A	597	LEU	0	-0.014	0.009	41.101	-0.002	-0.002	0.000	0.000	0.000	0.000
428	A	598	LYS	1	0.870	0.919	36.294	0.035	0.035	0.000	0.000	0.000	0.000
429	A	599	SER	0	0.101	0.067	36.884	-0.002	-0.002	0.000	0.000	0.000	0.000
430	A	600	TYR	0	0.059	0.021	37.657	0.007	0.007	0.000	0.000	0.000	0.000
431	A	601	SER	0	0.019	0.007	39.558	0.004	0.004	0.000	0.000	0.000	0.000
432	A	602	ASP	-1	-0.833	-0.921	40.611	-0.051	-0.051	0.000	0.000	0.000	0.000
433	A	603	ILE	0	-0.049	-0.021	41.747	0.004	0.004	0.000	0.000	0.000	0.000
434	A	604	ALA	0	0.038	0.014	44.754	0.003	0.003	0.000	0.000	0.000	0.000
435	A	605	ASN	0	-0.041	-0.022	44.161	0.003	0.003	0.000	0.000	0.000	0.000
436	A	606	MET	0	0.006	0.011	47.054	0.003	0.003	0.000	0.000	0.000	0.000
437	A	607	ASN	0	-0.016	-0.018	48.828	0.004	0.004	0.000	0.000	0.000	0.000
438	A	608	LYS	1	0.968	0.983	48.430	0.051	0.051	0.000	0.000	0.000	0.000
439	A	609	LEU	0	0.013	0.017	51.298	0.001	0.001	0.000	0.000	0.000	0.000
440	A	610	LEU	0	-0.028	-0.031	51.620	0.002	0.002	0.000	0.000	0.000	0.000
441	A	611	ASN	0	-0.077	-0.046	53.987	0.003	0.003	0.000	0.000	0.000	0.000
442	A	612	ASP	-1	-0.814	-0.860	56.302	-0.033	-0.033	0.000	0.000	0.000	0.000
443	A	613	SER	0	-0.010	-0.025	57.991	0.001	0.001	0.000	0.000	0.000	0.000
444	A	614	THR	0	-0.119	-0.073	59.755	0.001	0.001	0.000	0.000	0.000	0.000
445	A	615	VAL	0	-0.015	0.007	56.398	0.000	0.000	0.000	0.000	0.000	0.000
446	A	616	ALA	0	0.027	0.011	59.642	0.001	0.001	0.000	0.000	0.000	0.000
447	A	617	THR	0	0.000	0.018	58.741	-0.001	-0.001	0.000	0.000	0.000	0.000
448	A	618	LYS	1	0.797	0.889	58.121	0.024	0.024	0.000	0.000	0.000	0.000
449	A	619	PRO	0	0.002	-0.011	61.851	0.000	0.000	0.000	0.000	0.000	0.000
450	A	620	LEU	0	0.005	0.010	60.811	-0.001	-0.001	0.000	0.000	0.000	0.000
451	A	621	LYS	1	0.925	0.952	60.878	0.015	0.015	0.000	0.000	0.000	0.000
452	A	622	SER	0	-0.018	-0.013	60.826	0.000	0.000	0.000	0.000	0.000	0.000
453	A	623	ASN	0	-0.006	0.002	56.750	-0.001	-0.001	0.000	0.000	0.000	0.000
454	A	624	LEU	0	0.017	0.024	58.758	0.001	0.001	0.000	0.000	0.000	0.000
455	A	625	SER	0	0.005	0.016	54.264	-0.001	-0.001	0.000	0.000	0.000	0.000
456	A	626	THR	0	0.018	0.003	55.599	0.001	0.001	0.000	0.000	0.000	0.000
457	A	627	PHE	0	-0.014	0.003	50.170	0.000	0.000	0.000	0.000	0.000	0.000
458	A	628	ASN	0	0.074	0.019	51.195	0.002	0.002	0.000	0.000	0.000	0.000
459	A	629	SER	0	-0.048	-0.038	48.255	0.001	0.001	0.000	0.000	0.000	0.000
460	A	630	MET	0	-0.036	0.015	45.891	0.000	0.000	0.000	0.000	0.000	0.000
461	A	631	ASP	-1	-0.787	-0.848	47.535	0.002	0.002	0.000	0.000	0.000	0.000
462	A	632	ARG	1	0.821	0.900	45.822	0.001	0.001	0.000	0.000	0.000	0.000
463	A	633	LEU	0	0.000	0.001	51.238	-0.001	-0.001	0.000	0.000	0.000	0.000
464	A	634	ALA	0	0.022	0.026	52.620	0.001	0.001	0.000	0.000	0.000	0.000
465	A	635	TYR	0	-0.049	-0.058	54.672	-0.001	-0.001	0.000	0.000	0.000	0.000
466	A	636	TYR	0	-0.010	-0.025	57.740	0.000	0.000	0.000	0.000	0.000	0.000
467	A	637	ASN	0	-0.006	0.004	59.604	-0.001	-0.001	0.000	0.000	0.000	0.000
468	A	638	ALA	0	0.073	0.021	63.331	0.000	0.000	0.000	0.000	0.000	0.000
469	A	639	LYS	1	0.928	0.971	64.321	0.007	0.007	0.000	0.000	0.000	0.000
470	A	640	LYS	1	0.851	0.914	66.099	0.004	0.004	0.000	0.000	0.000	0.000
471	A	641	ASP	-1	-0.777	-0.850	61.719	-0.009	-0.009	0.000	0.000	0.000	0.000
472	A	642	PHE	0	-0.008	-0.005	60.646	0.001	0.001	0.000	0.000	0.000	0.000
473	A	643	GLY	0	0.020	0.010	57.262	-0.001	-0.001	0.000	0.000	0.000	0.000
474	A	644	PHE	0	-0.038	-0.031	57.206	0.001	0.001	0.000	0.000	0.000	0.000
475	A	645	ALA	0	0.042	0.013	52.388	-0.001	-0.001	0.000	0.000	0.000	0.000
476	A	646	LEU	0	-0.005	0.004	53.843	0.001	0.001	0.000	0.000	0.000	0.000
477	A	647	SER	0	-0.012	-0.013	48.915	-0.002	-0.002	0.000	0.000	0.000	0.000
478	A	648	LEU	0	-0.011	-0.002	50.917	0.002	0.002	0.000	0.000	0.000	0.000
479	A	649	HIS	0	-0.041	-0.030	47.569	0.000	0.000	0.000	0.000	0.000	0.000
480	A	650	SER	0	0.035	-0.019	48.693	0.001	0.001	0.000	0.000	0.000	0.000
481	A	651	LYS	1	0.835	0.918	48.005	-0.007	-0.007	0.000	0.000	0.000	0.000
482	A	652	ARG	1	0.776	0.871	46.788	0.001	0.001	0.000	0.000	0.000	0.000
483	A	653	THR	0	-0.031	-0.031	44.320	-0.001	-0.001	0.000	0.000	0.000	0.000
484	A	654	LEU	0	-0.072	-0.025	39.225	0.003	0.003	0.000	0.000	0.000	0.000
485	A	655	ASN	0	0.028	0.006	43.428	-0.001	-0.001	0.000	0.000	0.000	0.000
486	A	656	TYR	0	0.007	0.007	40.276	0.000	0.000	0.000	0.000	0.000	0.000
487	A	657	GLU	-1	-0.728	-0.819	35.543	0.008	0.008	0.000	0.000	0.000	0.000
488	A	658	GLY	0	0.050	0.020	37.051	-0.001	-0.001	0.000	0.000	0.000	0.000
489	A	659	MET	0	-0.027	-0.015	31.840	0.003	0.003	0.000	0.000	0.000	0.000
490	A	660	ASN	0	-0.001	-0.019	27.766	0.007	0.007	0.000	0.000	0.000	0.000
491	A	661	ASP	-1	-0.762	-0.885	30.293	0.072	0.072	0.000	0.000	0.000	0.000
492	A	662	GLU	-1	-0.779	-0.840	32.517	0.010	0.010	0.000	0.000	0.000	0.000
493	A	663	ASN	0	-0.021	-0.014	35.089	0.000	0.000	0.000	0.000	0.000	0.000
494	A	664	THR	0	-0.010	-0.018	36.393	-0.001	-0.001	0.000	0.000	0.000	0.000
495	A	665	ARG	1	0.903	0.944	39.002	-0.036	-0.036	0.000	0.000	0.000	0.000
496	A	666	GLY	0	0.027	0.031	41.884	-0.002	-0.002	0.000	0.000	0.000	0.000
497	A	667	TRP	0	-0.046	-0.040	42.116	-0.004	-0.004	0.000	0.000	0.000	0.000
498	A	668	TYR	0	0.042	0.023	45.045	0.000	0.000	0.000	0.000	0.000	0.000
499	A	669	THR	0	-0.028	-0.023	45.129	-0.002	-0.002	0.000	0.000	0.000	0.000
500	A	670	GLY	0	0.035	0.017	47.584	-0.002	-0.002	0.000	0.000	0.000	0.000
501	A	671	ASP	-1	-0.868	-0.904	48.397	0.017	0.017	0.000	0.000	0.000	0.000
502	A	672	GLY	0	0.048	0.001	51.474	0.000	0.000	0.000	0.000	0.000	0.000
503	A	673	MET	0	-0.069	0.011	50.127	0.000	0.000	0.000	0.000	0.000	0.000
504	A	674	PHE	0	0.000	-0.008	53.214	-0.002	-0.002	0.000	0.000	0.000	0.000
505	A	675	TYR	0	-0.041	-0.025	48.540	0.001	0.001	0.000	0.000	0.000	0.000
506	A	676	ILE	0	0.014	-0.001	54.737	-0.001	-0.001	0.000	0.000	0.000	0.000
507	A	677	TYR	0	0.002	0.003	50.392	0.000	0.000	0.000	0.000	0.000	0.000
508	A	678	ASN	0	0.064	0.006	56.939	-0.001	-0.001	0.000	0.000	0.000	0.000
509	A	679	SER	0	-0.043	-0.048	58.359	0.000	0.000	0.000	0.000	0.000	0.000
510	A	680	ASP	-1	-0.788	-0.867	56.368	-0.001	-0.001	0.000	0.000	0.000	0.000
511	A	681	GLN	0	-0.054	-0.056	53.792	0.000	0.000	0.000	0.000	0.000	0.000
512	A	682	SER	0	-0.069	-0.029	51.934	0.000	0.000	0.000	0.000	0.000	0.000
513	A	683	HIS	0	0.056	0.037	52.169	0.002	0.002	0.000	0.000	0.000	0.000
514	A	684	TYR	0	0.029	0.011	49.213	0.001	0.001	0.000	0.000	0.000	0.000
515	A	685	SER	0	0.018	0.011	47.467	0.000	0.000	0.000	0.000	0.000	0.000
516	A	686	ASN	0	-0.011	-0.022	48.168	0.001	0.001	0.000	0.000	0.000	0.000
517	A	687	HIS	0	0.078	0.052	44.267	0.002	0.002	0.000	0.000	0.000	0.000
518	A	688	PHE	0	0.052	0.055	47.138	0.002	0.002	0.000	0.000	0.000	0.000
519	A	689	TRP	0	0.025	-0.015	44.020	0.003	0.003	0.000	0.000	0.000	0.000
520	A	690	PRO	0	-0.054	-0.014	43.212	0.002	0.002	0.000	0.000	0.000	0.000
521	A	691	THR	0	-0.058	-0.038	44.975	0.002	0.002	0.000	0.000	0.000	0.000
522	A	692	VAL	0	-0.037	0.008	47.814	0.000	0.000	0.000	0.000	0.000	0.000
523	A	693	ASN	0	0.003	-0.015	48.901	0.003	0.003	0.000	0.000	0.000	0.000
524	A	694	PRO	0	0.017	0.000	46.652	-0.001	-0.001	0.000	0.000	0.000	0.000
525	A	695	TYR	0	0.005	-0.005	47.147	0.001	0.001	0.000	0.000	0.000	0.000
526	A	696	LYS	1	0.860	0.935	51.240	-0.018	-0.018	0.000	0.000	0.000	0.000
527	A	697	MET	0	0.034	0.041	49.047	-0.001	-0.001	0.000	0.000	0.000	0.000
528	A	698	ALA	0	0.035	0.019	52.458	0.000	0.000	0.000	0.000	0.000	0.000
529	A	699	GLY	0	0.053	0.020	55.057	-0.001	-0.001	0.000	0.000	0.000	0.000
530	A	700	THR	0	-0.071	-0.022	52.089	0.000	0.000	0.000	0.000	0.000	0.000
531	A	701	THR	0	0.000	-0.023	55.465	0.000	0.000	0.000	0.000	0.000	0.000
532	A	702	GLH	0	-0.045	-0.063	51.429	0.001	0.001	0.000	0.000	0.000	0.000
533	A	703	LYS	1	0.831	0.903	53.624	-0.027	-0.027	0.000	0.000	0.000	0.000
534	A	704	ASP	-1	-0.825	-0.899	53.676	0.027	0.027	0.000	0.000	0.000	0.000
535	A	705	ALA	0	-0.020	0.001	51.096	0.001	0.001	0.000	0.000	0.000	0.000
536	A	706	LYS	1	0.912	0.959	44.134	-0.049	-0.049	0.000	0.000	0.000	0.000
537	A	707	ARG	1	0.897	0.950	43.475	-0.034	-0.034	0.000	0.000	0.000	0.000
538	A	708	GLU	-1	-0.891	-0.941	40.611	0.058	0.058	0.000	0.000	0.000	0.000
539	A	709	ASP	-1	-0.783	-0.858	38.870	0.045	0.045	0.000	0.000	0.000	0.000
540	A	710	THR	0	-0.050	-0.044	36.849	0.005	0.005	0.000	0.000	0.000	0.000
541	A	711	THR	0	0.012	-0.003	33.617	0.000	0.000	0.000	0.000	0.000	0.000
542	A	712	LYS	1	0.881	0.925	26.124	-0.075	-0.075	0.000	0.000	0.000	0.000
543	A	713	GLU	-1	-0.790	-0.884	30.357	0.099	0.099	0.000	0.000	0.000	0.000
544	A	714	PHE	0	0.097	0.050	31.305	0.004	0.004	0.000	0.000	0.000	0.000
545	A	715	MET	0	-0.048	-0.031	32.532	-0.002	-0.002	0.000	0.000	0.000	0.000
546	A	716	SER	0	-0.066	-0.028	28.779	0.003	0.003	0.000	0.000	0.000	0.000
547	A	717	LYS	1	0.835	0.909	30.753	-0.089	-0.089	0.000	0.000	0.000	0.000
548	A	718	HIS	1	0.850	0.935	33.377	-0.073	-0.073	0.000	0.000	0.000	0.000
549	A	719	SER	0	-0.002	0.002	30.134	-0.009	-0.009	0.000	0.000	0.000	0.000
550	A	720	LYS	1	0.942	0.980	32.074	-0.086	-0.086	0.000	0.000	0.000	0.000
551	A	721	ASP	-1	-0.781	-0.886	34.640	0.056	0.056	0.000	0.000	0.000	0.000
552	A	722	ALA	0	0.054	0.037	33.613	-0.002	-0.002	0.000	0.000	0.000	0.000
553	A	723	LYS	1	0.924	0.988	35.494	-0.028	-0.028	0.000	0.000	0.000	0.000
554	A	724	GLU	-1	-0.826	-0.890	37.964	0.044	0.044	0.000	0.000	0.000	0.000
555	A	725	LYS	1	0.834	0.883	38.719	-0.053	-0.053	0.000	0.000	0.000	0.000
556	A	726	THR	0	-0.090	-0.063	37.043	-0.001	-0.001	0.000	0.000	0.000	0.000
557	A	727	GLY	0	-0.014	-0.006	40.141	-0.003	-0.003	0.000	0.000	0.000	0.000
558	A	728	GLN	0	-0.045	-0.016	36.377	-0.007	-0.007	0.000	0.000	0.000	0.000
559	A	729	VAL	0	0.024	-0.012	41.053	0.001	0.001	0.000	0.000	0.000	0.000
560	A	730	THR	0	0.031	0.030	43.081	-0.001	-0.001	0.000	0.000	0.000	0.000
561	A	731	GLY	0	-0.005	0.008	45.609	0.002	0.002	0.000	0.000	0.000	0.000
562	A	732	THR	0	0.020	-0.007	49.055	0.000	0.000	0.000	0.000	0.000	0.000
563	A	733	SER	0	-0.008	-0.002	51.164	0.000	0.000	0.000	0.000	0.000	0.000
564	A	734	ASP	-1	-0.806	-0.899	53.642	0.005	0.005	0.000	0.000	0.000	0.000
565	A	735	PHE	0	-0.028	-0.007	55.606	-0.002	-0.002	0.000	0.000	0.000	0.000
566	A	736	VAL	0	0.014	0.004	53.061	0.001	0.001	0.000	0.000	0.000	0.000
567	A	737	GLY	0	-0.006	0.016	55.641	-0.001	-0.001	0.000	0.000	0.000	0.000
568	A	738	SER	0	-0.030	-0.024	56.237	0.001	0.001	0.000	0.000	0.000	0.000
569	A	739	VAL	0	0.035	0.021	58.591	-0.001	-0.001	0.000	0.000	0.000	0.000
570	A	740	LYS	1	0.851	0.913	59.866	0.012	0.012	0.000	0.000	0.000	0.000
571	A	741	LEU	0	-0.024	0.004	62.830	0.000	0.000	0.000	0.000	0.000	0.000
572	A	742	ASN	0	0.055	-0.008	65.348	-0.001	-0.001	0.000	0.000	0.000	0.000
573	A	743	ASP	-1	-0.841	-0.936	61.840	-0.012	-0.012	0.000	0.000	0.000	0.000
574	A	744	HIS	0	-0.005	0.010	63.690	0.000	0.000	0.000	0.000	0.000	0.000
575	A	745	PHE	0	0.023	0.023	65.816	0.001	0.001	0.000	0.000	0.000	0.000
576	A	746	ALA	0	0.040	0.016	61.575	-0.001	-0.001	0.000	0.000	0.000	0.000
577	A	747	LEU	0	-0.037	0.015	62.936	0.001	0.001	0.000	0.000	0.000	0.000
578	A	748	ALA	0	-0.004	-0.016	58.348	-0.001	-0.001	0.000	0.000	0.000	0.000
579	A	749	ALA	0	0.035	0.023	59.189	0.001	0.001	0.000	0.000	0.000	0.000
580	A	750	MET	0	-0.041	-0.015	52.040	-0.001	-0.001	0.000	0.000	0.000	0.000
581	A	751	ASP	-1	-0.853	-0.930	57.196	0.009	0.009	0.000	0.000	0.000	0.000
582	A	752	PHE	0	-0.052	-0.022	51.589	0.000	0.000	0.000	0.000	0.000	0.000
583	A	753	THR	0	-0.039	-0.035	51.996	0.001	0.001	0.000	0.000	0.000	0.000
584	A	754	ASN	0	0.012	-0.014	51.394	0.000	0.000	0.000	0.000	0.000	0.000
585	A	755	TRP	0	0.029	0.002	44.060	0.001	0.001	0.000	0.000	0.000	0.000
586	A	756	ASP	-1	-0.820	-0.847	47.366	0.030	0.030	0.000	0.000	0.000	0.000
587	A	757	ARG	1	0.903	0.932	48.765	-0.022	-0.022	0.000	0.000	0.000	0.000
588	A	758	THR	0	-0.064	-0.044	51.861	-0.001	-0.001	0.000	0.000	0.000	0.000
589	A	759	LEU	0	-0.032	-0.011	54.463	0.000	0.000	0.000	0.000	0.000	0.000
590	A	760	THR	0	-0.018	0.002	55.246	0.000	0.000	0.000	0.000	0.000	0.000
591	A	761	ALA	0	-0.018	-0.014	57.634	0.000	0.000	0.000	0.000	0.000	0.000
592	A	762	GLN	0	0.024	0.044	58.949	0.000	0.000	0.000	0.000	0.000	0.000
593	A	763	LYS	1	0.829	0.906	56.511	-0.011	-0.011	0.000	0.000	0.000	0.000
594	A	764	GLY	0	0.026	0.010	60.296	-0.001	-0.001	0.000	0.000	0.000	0.000
595	A	765	TRP	0	-0.016	-0.017	56.626	0.000	0.000	0.000	0.000	0.000	0.000
596	A	766	VAL	0	0.028	0.008	62.424	-0.001	-0.001	0.000	0.000	0.000	0.000
597	A	767	ILE	0	-0.042	0.003	60.086	0.000	0.000	0.000	0.000	0.000	0.000
598	A	768	LEU	0	0.020	-0.007	64.735	-0.001	-0.001	0.000	0.000	0.000	0.000
599	A	769	ASN	0	0.003	-0.014	67.123	-0.001	-0.001	0.000	0.000	0.000	0.000
600	A	770	ASP	-1	-0.837	-0.887	66.187	-0.003	-0.003	0.000	0.000	0.000	0.000
601	A	771	LYS	1	0.843	0.922	67.503	0.003	0.003	0.000	0.000	0.000	0.000
602	A	772	ILE	0	-0.003	0.008	61.708	0.000	0.000	0.000	0.000	0.000	0.000
603	A	773	VAL	0	0.000	-0.004	65.138	0.001	0.001	0.000	0.000	0.000	0.000
604	A	774	PHE	0	-0.001	0.002	59.307	0.000	0.000	0.000	0.000	0.000	0.000
605	A	775	LEU	0	0.014	-0.011	63.734	0.000	0.000	0.000	0.000	0.000	0.000
606	A	776	GLY	0	0.039	0.015	63.185	0.000	0.000	0.000	0.000	0.000	0.000
607	A	777	SER	0	0.031	0.029	64.094	0.000	0.000	0.000	0.000	0.000	0.000
608	A	778	ASN	0	0.024	0.004	63.797	0.000	0.000	0.000	0.000	0.000	0.000
609	A	779	ILE	0	-0.077	-0.013	60.744	0.001	0.001	0.000	0.000	0.000	0.000
610	A	780	LYS	1	0.991	0.988	60.852	-0.016	-0.016	0.000	0.000	0.000	0.000
611	A	781	ASN	0	0.040	0.007	58.758	0.001	0.001	0.000	0.000	0.000	0.000
612	A	782	THR	0	-0.045	-0.034	56.311	0.000	0.000	0.000	0.000	0.000	0.000
613	A	783	ASN	0	0.085	0.029	54.889	-0.001	-0.001	0.000	0.000	0.000	0.000
614	A	784	GLY	0	-0.015	0.005	59.069	0.001	0.001	0.000	0.000	0.000	0.000
615	A	785	ILE	0	0.019	0.023	55.429	0.000	0.000	0.000	0.000	0.000	0.000
616	A	786	GLY	0	-0.010	0.012	56.678	0.000	0.000	0.000	0.000	0.000	0.000
617	A	787	ASN	0	-0.068	-0.054	57.480	-0.002	-0.002	0.000	0.000	0.000	0.000
618	A	788	VAL	0	-0.008	-0.006	58.004	0.000	0.000	0.000	0.000	0.000	0.000
619	A	789	SER	0	-0.032	-0.008	58.410	-0.001	-0.001	0.000	0.000	0.000	0.000
620	A	790	THR	0	0.033	0.005	58.525	0.001	0.001	0.000	0.000	0.000	0.000
621	A	791	THR	0	-0.033	-0.006	56.713	0.000	0.000	0.000	0.000	0.000	0.000
622	A	792	ILE	0	-0.035	-0.010	59.071	-0.001	-0.001	0.000	0.000	0.000	0.000
623	A	793	ASP	-1	-0.790	-0.894	58.572	0.005	0.005	0.000	0.000	0.000	0.000
624	A	794	GLN	0	-0.027	-0.012	52.800	0.002	0.002	0.000	0.000	0.000	0.000
625	A	795	ARG	1	0.858	0.951	55.822	-0.002	-0.002	0.000	0.000	0.000	0.000
626	A	796	LYS	1	0.837	0.930	51.425	-0.004	-0.004	0.000	0.000	0.000	0.000
627	A	797	ASP	-1	-0.785	-0.909	56.452	0.005	0.005	0.000	0.000	0.000	0.000
628	A	798	ASP	-1	-0.750	-0.865	57.868	0.000	0.000	0.000	0.000	0.000	0.000
629	A	799	SER	0	-0.007	-0.017	58.336	-0.001	-0.001	0.000	0.000	0.000	0.000
630	A	800	LYS	1	0.865	0.926	58.007	0.001	0.001	0.000	0.000	0.000	0.000
631	A	801	THR	0	-0.066	-0.037	62.153	0.000	0.000	0.000	0.000	0.000	0.000
632	A	802	PRO	0	-0.012	0.016	63.490	0.000	0.000	0.000	0.000	0.000	0.000
633	A	803	TYR	0	-0.056	-0.049	61.027	-0.001	-0.001	0.000	0.000	0.000	0.000
634	A	804	THR	0	-0.060	-0.015	65.843	0.001	0.001	0.000	0.000	0.000	0.000
635	A	805	THR	0	0.004	-0.015	67.226	0.000	0.000	0.000	0.000	0.000	0.000
636	A	806	TYR	0	-0.080	-0.067	69.422	0.000	0.000	0.000	0.000	0.000	0.000
637	A	807	VAL	0	0.046	0.017	70.845	0.000	0.000	0.000	0.000	0.000	0.000
638	A	808	ASN	0	0.000	0.000	73.340	0.000	0.000	0.000	0.000	0.000	0.000
639	A	809	GLY	0	0.062	0.033	75.558	0.000	0.000	0.000	0.000	0.000	0.000
640	A	810	LYS	1	0.909	0.957	76.768	-0.005	-0.005	0.000	0.000	0.000	0.000
641	A	811	THR	0	0.029	0.018	73.782	0.000	0.000	0.000	0.000	0.000	0.000
642	A	812	ILE	0	-0.028	-0.002	68.934	0.000	0.000	0.000	0.000	0.000	0.000
643	A	813	ASP	-1	-0.825	-0.918	70.997	0.009	0.009	0.000	0.000	0.000	0.000
644	A	814	LEU	0	-0.043	-0.013	65.063	0.001	0.001	0.000	0.000	0.000	0.000
645	A	815	LYS	1	0.834	0.919	66.506	-0.011	-0.011	0.000	0.000	0.000	0.000
646	A	816	GLN	0	-0.009	0.004	61.764	0.000	0.000	0.000	0.000	0.000	0.000
647	A	817	ALA	0	0.020	-0.019	61.427	0.000	0.000	0.000	0.000	0.000	0.000
648	A	818	SER	0	-0.042	-0.021	63.026	0.000	0.000	0.000	0.000	0.000	0.000
649	A	819	SER	0	0.014	0.002	62.696	-0.001	-0.001	0.000	0.000	0.000	0.000
650	A	820	GLN	0	0.026	0.031	65.045	0.001	0.001	0.000	0.000	0.000	0.000
651	A	821	GLN	0	0.074	0.041	67.637	0.000	0.000	0.000	0.000	0.000	0.000
652	A	822	PHE	0	-0.015	-0.016	69.153	0.000	0.000	0.000	0.000	0.000	0.000
653	A	823	THR	0	0.042	0.027	71.966	0.000	0.000	0.000	0.000	0.000	0.000
654	A	824	ASP	-1	-0.884	-0.935	74.259	0.009	0.009	0.000	0.000	0.000	0.000
655	A	825	THR	0	-0.058	-0.036	71.012	-0.001	-0.001	0.000	0.000	0.000	0.000
656	A	826	LYS	1	0.908	0.942	73.714	-0.007	-0.007	0.000	0.000	0.000	0.000
657	A	827	SER	0	0.009	-0.006	72.128	0.000	0.000	0.000	0.000	0.000	0.000
658	A	828	VAL	0	0.022	0.023	67.398	0.000	0.000	0.000	0.000	0.000	0.000
659	A	829	PHE	0	-0.058	-0.025	69.348	-0.001	-0.001	0.000	0.000	0.000	0.000
660	A	830	LEU	0	0.035	0.033	63.302	0.001	0.001	0.000	0.000	0.000	0.000
661	A	831	GLU	-1	-0.785	-0.871	67.342	0.001	0.001	0.000	0.000	0.000	0.000
662	A	832	SER	0	0.049	0.010	65.085	0.000	0.000	0.000	0.000	0.000	0.000
663	A	833	LYS	1	0.933	0.962	67.498	-0.002	-0.002	0.000	0.000	0.000	0.000
664	A	834	GLU	-1	-0.816	-0.890	62.964	-0.004	-0.004	0.000	0.000	0.000	0.000
665	A	835	PRO	0	0.039	0.021	66.319	0.000	0.000	0.000	0.000	0.000	0.000
666	A	836	GLY	0	0.000	0.030	64.416	0.000	0.000	0.000	0.000	0.000	0.000
667	A	837	ARG	1	0.841	0.889	60.915	0.002	0.002	0.000	0.000	0.000	0.000
668	A	838	ASN	0	-0.015	0.008	64.007	0.001	0.001	0.000	0.000	0.000	0.000
669	A	839	ILE	0	0.003	0.006	61.315	-0.001	-0.001	0.000	0.000	0.000	0.000
670	A	840	GLY	0	0.015	0.027	65.853	0.001	0.001	0.000	0.000	0.000	0.000
671	A	841	TYR	0	-0.065	-0.075	62.084	0.000	0.000	0.000	0.000	0.000	0.000
672	A	842	ILE	0	0.029	0.014	68.452	0.000	0.000	0.000	0.000	0.000	0.000
673	A	843	PHE	0	0.020	0.004	66.972	0.000	0.000	0.000	0.000	0.000	0.000
674	A	844	PHE	0	0.015	0.006	69.686	0.000	0.000	0.000	0.000	0.000	0.000
675	A	845	LYS	1	0.916	0.962	73.190	-0.006	-0.006	0.000	0.000	0.000	0.000
676	A	846	ASN	0	0.001	-0.008	73.590	0.000	0.000	0.000	0.000	0.000	0.000
677	A	847	SER	0	-0.009	0.001	70.073	0.000	0.000	0.000	0.000	0.000	0.000
678	A	848	THR	0	-0.004	-0.002	69.621	0.000	0.000	0.000	0.000	0.000	0.000
679	A	849	ILE	0	-0.051	-0.020	66.316	0.000	0.000	0.000	0.000	0.000	0.000
680	A	850	ASP	-1	-0.850	-0.918	64.212	0.015	0.015	0.000	0.000	0.000	0.000
681	A	851	ILE	0	0.013	-0.011	64.271	-0.001	-0.001	0.000	0.000	0.000	0.000
682	A	852	GLU	-1	-0.780	-0.879	59.209	0.019	0.019	0.000	0.000	0.000	0.000
683	A	853	ARG	1	0.826	0.905	60.898	-0.010	-0.010	0.000	0.000	0.000	0.000
684	A	854	LYS	1	0.857	0.931	56.384	-0.019	-0.019	0.000	0.000	0.000	0.000
685	A	855	GLU	-1	-0.819	-0.886	54.646	0.012	0.012	0.000	0.000	0.000	0.000
686	A	856	GLN	0	-0.074	-0.040	52.185	0.002	0.002	0.000	0.000	0.000	0.000
687	A	857	THR	0	0.041	-0.001	49.217	-0.001	-0.001	0.000	0.000	0.000	0.000
688	A	858	GLY	0	0.014	0.015	46.087	0.001	0.001	0.000	0.000	0.000	0.000
689	A	859	THR	0	0.009	0.016	41.158	-0.001	-0.001	0.000	0.000	0.000	0.000
690	A	860	TRP	0	0.057	-0.006	39.136	0.001	0.001	0.000	0.000	0.000	0.000
691	A	861	ASN	0	-0.029	-0.010	34.540	0.002	0.002	0.000	0.000	0.000	0.000
692	A	862	SER	0	-0.006	0.002	37.115	0.003	0.003	0.000	0.000	0.000	0.000
693	A	863	ILE	0	0.008	0.023	39.323	0.003	0.003	0.000	0.000	0.000	0.000
694	A	864	ASN	0	-0.027	-0.024	34.377	0.001	0.001	0.000	0.000	0.000	0.000
695	A	865	ARG	1	0.813	0.903	32.647	-0.057	-0.057	0.000	0.000	0.000	0.000
696	A	866	THR	0	0.005	0.012	29.722	0.007	0.007	0.000	0.000	0.000	0.000
697	A	867	SER	0	-0.017	0.002	31.435	-0.003	-0.003	0.000	0.000	0.000	0.000
698	A	868	LYS	1	0.994	0.990	30.174	-0.015	-0.015	0.000	0.000	0.000	0.000
699	A	869	ASN	0	-0.035	-0.028	34.342	0.003	0.003	0.000	0.000	0.000	0.000
700	A	870	THR	0	0.019	-0.007	37.028	-0.001	-0.001	0.000	0.000	0.000	0.000
701	A	871	SER	0	0.008	0.003	39.743	0.001	0.001	0.000	0.000	0.000	0.000
702	A	872	ILE	0	-0.054	-0.021	42.986	-0.001	-0.001	0.000	0.000	0.000	0.000
703	A	873	VAL	0	-0.037	-0.013	45.143	-0.002	-0.002	0.000	0.000	0.000	0.000
704	A	874	SER	0	-0.038	-0.074	47.699	0.002	0.002	0.000	0.000	0.000	0.000
705	A	875	ASN	0	-0.020	-0.016	50.265	-0.003	-0.003	0.000	0.000	0.000	0.000
706	A	876	PRO	0	0.000	0.042	53.474	0.001	0.001	0.000	0.000	0.000	0.000
707	A	877	PHE	0	0.022	0.016	51.469	-0.001	-0.001	0.000	0.000	0.000	0.000
708	A	878	ILE	0	-0.010	-0.008	57.433	0.001	0.001	0.000	0.000	0.000	0.000
709	A	879	THR	0	-0.063	-0.041	57.827	0.000	0.000	0.000	0.000	0.000	0.000
710	A	880	ILE	0	0.001	0.015	60.017	0.000	0.000	0.000	0.000	0.000	0.000
711	A	881	SER	0	-0.014	-0.012	60.396	0.000	0.000	0.000	0.000	0.000	0.000
712	A	882	GLN	0	0.032	0.013	62.428	-0.001	-0.001	0.000	0.000	0.000	0.000
713	A	883	LYS	1	0.852	0.923	63.127	-0.015	-0.015	0.000	0.000	0.000	0.000
714	A	884	HIS	0	-0.022	0.002	61.812	-0.001	-0.001	0.000	0.000	0.000	0.000
715	A	885	ASP	-1	-0.824	-0.914	64.031	0.017	0.017	0.000	0.000	0.000	0.000
716	A	886	ASN	0	-0.017	-0.023	65.092	0.000	0.000	0.000	0.000	0.000	0.000
717	A	887	LYS	1	0.881	0.953	67.248	-0.015	-0.015	0.000	0.000	0.000	0.000
718	A	888	GLY	0	0.047	0.033	69.205	-0.001	-0.001	0.000	0.000	0.000	0.000
719	A	889	ASP	-1	-0.877	-0.943	65.695	0.012	0.012	0.000	0.000	0.000	0.000
720	A	890	SER	0	-0.016	-0.030	65.921	-0.001	-0.001	0.000	0.000	0.000	0.000
721	A	891	TYR	0	-0.059	-0.020	61.170	0.001	0.001	0.000	0.000	0.000	0.000
722	A	892	GLY	0	0.058	0.020	66.925	0.000	0.000	0.000	0.000	0.000	0.000
723	A	893	TYR	0	-0.057	-0.017	61.723	0.000	0.000	0.000	0.000	0.000	0.000
724	A	894	MET	0	-0.003	0.009	67.189	-0.001	-0.001	0.000	0.000	0.000	0.000
725	A	895	MET	0	-0.013	0.010	60.714	0.001	0.001	0.000	0.000	0.000	0.000
726	A	896	VAL	0	-0.013	-0.031	66.167	-0.001	-0.001	0.000	0.000	0.000	0.000
727	A	897	PRO	0	0.009	0.018	63.668	0.000	0.000	0.000	0.000	0.000	0.000
728	A	898	ASN	0	-0.037	-0.030	63.475	0.000	0.000	0.000	0.000	0.000	0.000
729	A	899	ILE	0	0.000	0.016	67.274	-0.001	-0.001	0.000	0.000	0.000	0.000
730	A	900	ASP	-1	-0.747	-0.820	70.862	-0.001	-0.001	0.000	0.000	0.000	0.000
731	A	901	ARG	1	0.934	0.938	73.439	-0.002	-0.002	0.000	0.000	0.000	0.000
732	A	902	THR	0	-0.002	-0.015	74.786	0.000	0.000	0.000	0.000	0.000	0.000
733	A	903	SER	0	-0.068	-0.077	75.558	0.000	0.000	0.000	0.000	0.000	0.000
734	A	904	PHE	0	-0.011	0.009	70.813	0.000	0.000	0.000	0.000	0.000	0.000
735	A	905	ASP	-1	-0.831	-0.918	74.892	0.003	0.003	0.000	0.000	0.000	0.000
736	A	906	LYS	1	0.893	0.960	77.708	0.000	0.000	0.000	0.000	0.000	0.000
737	A	907	LEU	0	0.018	0.005	72.933	0.000	0.000	0.000	0.000	0.000	0.000
738	A	908	ALA	0	0.005	0.004	75.281	0.000	0.000	0.000	0.000	0.000	0.000
739	A	909	ASN	0	-0.108	-0.061	76.602	0.001	0.001	0.000	0.000	0.000	0.000
740	A	910	SER	0	-0.098	-0.043	78.320	0.000	0.000	0.000	0.000	0.000	0.000
741	A	911	LYS	1	0.907	0.929	79.232	-0.002	-0.002	0.000	0.000	0.000	0.000
742	A	912	GLU	-1	-0.813	-0.875	76.632	-0.002	-0.002	0.000	0.000	0.000	0.000
743	A	913	VAL	0	-0.001	-0.004	71.749	0.000	0.000	0.000	0.000	0.000	0.000
744	A	914	GLU	-1	-0.882	-0.938	75.225	0.002	0.002	0.000	0.000	0.000	0.000
745	A	915	LEU	0	-0.024	-0.007	70.612	0.000	0.000	0.000	0.000	0.000	0.000
746	A	916	LEU	0	-0.036	-0.022	73.890	0.000	0.000	0.000	0.000	0.000	0.000
747	A	917	GLU	-1	-0.804	-0.856	73.306	0.005	0.005	0.000	0.000	0.000	0.000
748	A	918	ASN	0	-0.015	-0.004	68.006	-0.001	-0.001	0.000	0.000	0.000	0.000
749	A	919	SER	0	0.002	-0.031	70.768	0.001	0.001	0.000	0.000	0.000	0.000
750	A	920	SER	0	0.027	0.013	67.499	0.000	0.000	0.000	0.000	0.000	0.000
751	A	921	LYS	1	0.807	0.909	67.704	-0.004	-0.004	0.000	0.000	0.000	0.000
752	A	922	GLN	0	-0.002	-0.016	68.819	-0.001	-0.001	0.000	0.000	0.000	0.000
753	A	923	GLN	0	-0.007	0.000	66.150	0.000	0.000	0.000	0.000	0.000	0.000
754	A	924	VAL	0	-0.025	-0.012	69.610	-0.001	-0.001	0.000	0.000	0.000	0.000
755	A	925	ILE	0	-0.005	-0.012	69.466	0.000	0.000	0.000	0.000	0.000	0.000
756	A	926	TYR	0	0.019	0.004	72.447	-0.001	-0.001	0.000	0.000	0.000	0.000
757	A	927	ASP	-1	-0.787	-0.866	72.931	-0.002	-0.002	0.000	0.000	0.000	0.000
758	A	928	LYS	1	0.900	0.921	75.022	0.001	0.001	0.000	0.000	0.000	0.000
759	A	929	ASN	0	-0.136	-0.073	75.953	-0.001	-0.001	0.000	0.000	0.000	0.000
760	A	930	SER	0	-0.046	-0.031	73.444	0.000	0.000	0.000	0.000	0.000	0.000
761	A	931	GLN	0	-0.040	-0.011	75.818	0.000	0.000	0.000	0.000	0.000	0.000
762	A	932	THR	0	0.011	-0.006	70.890	-0.001	-0.001	0.000	0.000	0.000	0.000
763	A	933	TRP	0	-0.003	0.001	73.558	0.001	0.001	0.000	0.000	0.000	0.000
764	A	934	ALA	0	-0.012	-0.005	68.230	-0.001	-0.001	0.000	0.000	0.000	0.000
765	A	935	VAL	0	0.002	-0.010	69.261	0.001	0.001	0.000	0.000	0.000	0.000
766	A	936	ILE	0	0.007	0.009	63.749	-0.001	-0.001	0.000	0.000	0.000	0.000
767	A	937	LYS	1	0.808	0.928	66.790	-0.002	-0.002	0.000	0.000	0.000	0.000
768	A	938	HIS	0	0.036	0.009	62.385	-0.001	-0.001	0.000	0.000	0.000	0.000
769	A	939	ASP	-1	-0.830	-0.927	65.175	0.006	0.006	0.000	0.000	0.000	0.000
770	A	940	ASN	0	0.005	-0.028	67.395	-0.001	-0.001	0.000	0.000	0.000	0.000
771	A	941	GLN	0	-0.004	0.027	69.669	-0.001	-0.001	0.000	0.000	0.000	0.000
772	A	942	GLU	-1	-0.829	-0.917	72.993	0.001	0.001	0.000	0.000	0.000	0.000
773	A	943	SER	0	-0.031	-0.036	73.502	0.001	0.001	0.000	0.000	0.000	0.000
774	A	944	LEU	0	0.012	0.004	76.046	-0.001	-0.001	0.000	0.000	0.000	0.000
775	A	945	ILE	0	0.001	0.003	74.251	0.000	0.000	0.000	0.000	0.000	0.000
776	A	946	ASN	0	0.001	-0.009	78.033	0.000	0.000	0.000	0.000	0.000	0.000
777	A	947	ASN	0	-0.048	-0.022	81.077	0.000	0.000	0.000	0.000	0.000	0.000
778	A	948	GLN	0	-0.014	-0.002	80.282	0.000	0.000	0.000	0.000	0.000	0.000
779	A	949	PHE	0	-0.012	-0.004	76.361	0.000	0.000	0.000	0.000	0.000	0.000
780	A	950	LYS	1	0.968	0.974	77.321	0.001	0.001	0.000	0.000	0.000	0.000
781	A	951	MET	0	-0.009	0.007	71.950	0.000	0.000	0.000	0.000	0.000	0.000
782	A	952	ASN	0	-0.007	-0.019	72.876	0.000	0.000	0.000	0.000	0.000	0.000
783	A	953	LYS	1	0.961	0.990	67.752	0.001	0.001	0.000	0.000	0.000	0.000
784	A	954	ALA	0	0.059	0.051	64.818	0.000	0.000	0.000	0.000	0.000	0.000
785	A	955	GLY	0	-0.024	-0.015	63.457	-0.001	-0.001	0.000	0.000	0.000	0.000
786	A	956	LEU	0	-0.061	-0.016	60.467	0.001	0.001	0.000	0.000	0.000	0.000
787	A	957	TYR	0	-0.007	-0.030	64.976	-0.001	-0.001	0.000	0.000	0.000	0.000
788	A	958	LEU	0	-0.002	0.002	65.397	0.000	0.000	0.000	0.000	0.000	0.000
789	A	959	VAL	0	-0.016	-0.013	69.358	-0.001	-0.001	0.000	0.000	0.000	0.000
790	A	960	GLN	0	-0.004	-0.017	71.616	0.000	0.000	0.000	0.000	0.000	0.000
791	A	961	LYS	1	0.879	0.953	74.497	0.004	0.004	0.000	0.000	0.000	0.000
792	A	962	VAL	0	0.011	0.004	75.934	0.000	0.000	0.000	0.000	0.000	0.000
793	A	963	GLY	0	0.053	0.049	78.467	0.000	0.000	0.000	0.000	0.000	0.000
794	A	964	ASN	0	-0.061	-0.050	81.921	0.001	0.001	0.000	0.000	0.000	0.000
795	A	965	ASP	-1	-0.899	-0.937	79.352	-0.006	-0.006	0.000	0.000	0.000	0.000
796	A	966	TYR	0	0.008	-0.021	76.792	0.000	0.000	0.000	0.000	0.000	0.000
797	A	967	GLN	0	0.020	0.031	70.089	0.000	0.000	0.000	0.000	0.000	0.000
798	A	968	ASN	0	-0.050	-0.040	71.169	0.001	0.001	0.000	0.000	0.000	0.000
799	A	969	VAL	0	-0.007	0.009	65.754	-0.001	-0.001	0.000	0.000	0.000	0.000
800	A	970	TYR	0	-0.031	-0.026	65.389	0.001	0.001	0.000	0.000	0.000	0.000
801	A	971	TYR	0	0.016	0.013	56.195	-0.001	-0.001	0.000	0.000	0.000	0.000
802	A	972	GLN	0	0.024	0.017	61.012	0.001	0.001	0.000	0.000	0.000	0.000
803	A	973	PRO	0	-0.023	-0.029	57.846	-0.001	-0.001	0.000	0.000	0.000	0.000
804	A	974	GLN	0	-0.019	-0.010	56.523	-0.001	-0.001	0.000	0.000	0.000	0.000
805	A	975	THR	0	0.027	0.008	55.846	0.000	0.000	0.000	0.000	0.000	0.000
806	A	976	MET	0	-0.038	0.002	51.524	-0.001	-0.001	0.000	0.000	0.000	0.000
807	A	977	THR	0	-0.003	0.013	56.839	-0.002	-0.002	0.000	0.000	0.000	0.000
808	A	978	LYS	1	0.837	0.896	60.081	0.010	0.010	0.000	0.000	0.000	0.000
809	A	979	THR	0	-0.042	-0.026	62.303	-0.001	-0.001	0.000	0.000	0.000	0.000
810	A	980	ASP	-1	-0.817	-0.886	65.385	-0.009	-0.009	0.000	0.000	0.000	0.000
811	A	981	GLN	0	0.044	0.013	68.104	0.000	0.000	0.000	0.000	0.000	0.000
812	A	982	LEU	0	-0.011	0.011	69.312	0.000	0.000	0.000	0.000	0.000	0.000
813	A	983	ALA	0	0.024	0.005	71.484	0.000	0.000	0.000	0.000	0.000	0.000
814	A	984	ILE	0	0.021	0.042	73.288	0.001	0.001	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(A:171:SER)