FMO DATABASE

FMODB ID: ZNVRN

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	OptAll
Protonation	MOE:Protonate 3D
Complement	MOE:Structure Preparation
Water	No
Procedure	Auto-FMO protocol ver. 2.20220422

FMO calculation

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

Total energy (hartree)

FMO2-HF: Electronic energy	-22100979.174817
FMO2-HF: Nuclear repulsion	21778098.138411
FMO2-HF: Total energy	-322881.036405
FMO2-MP2: Total energy	-323831.580658

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.
-2.27	0.888	2.672	-2.142	-3.689	-0.016

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 : -0.014 / q_NPA : -0.020

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	0.020	-0.005	2.619	-3.158	-0.105	2.673	-2.133	-3.594	-0.016
4	A	174	PRO	0	-0.061	-0.013	5.043	0.790	0.895	-0.001	-0.009	-0.095	0.000
5	A	175	GLN	0	0.011	0.013	8.200	0.560	0.560	0.000	0.000	0.000	0.000
6	A	176	PRO	0	0.001	0.001	11.019	0.056	0.056	0.000	0.000	0.000	0.000
7	A	177	VAL	0	0.021	0.023	14.562	-0.032	-0.032	0.000	0.000	0.000	0.000
8	A	178	THR	0	-0.035	-0.008	16.688	0.056	0.056	0.000	0.000	0.000	0.000
9	A	179	THR	0	0.031	0.024	18.898	0.017	0.017	0.000	0.000	0.000	0.000
10	A	180	GLN	0	0.014	-0.008	22.476	0.001	0.001	0.000	0.000	0.000	0.000
11	A	181	ILE	0	0.029	0.017	25.897	-0.001	-0.001	0.000	0.000	0.000	0.000
12	A	182	GLU	-1	-0.734	-0.843	29.271	-0.186	-0.186	0.000	0.000	0.000	0.000
13	A	183	LYS	1	0.947	0.970	29.046	0.175	0.175	0.000	0.000	0.000	0.000
14	A	184	SER	0	0.018	0.013	32.760	0.011	0.011	0.000	0.000	0.000	0.000
15	A	185	VAL	0	-0.022	0.002	32.924	-0.011	-0.011	0.000	0.000	0.000	0.000
16	A	186	ASN	0	0.036	0.030	33.860	0.016	0.016	0.000	0.000	0.000	0.000
17	A	187	THR	0	0.005	0.010	33.922	-0.014	-0.014	0.000	0.000	0.000	0.000
18	A	188	ALA	0	0.049	0.051	35.784	0.009	0.009	0.000	0.000	0.000	0.000
19	A	189	LEU	0	0.006	-0.014	37.760	-0.003	-0.003	0.000	0.000	0.000	0.000
20	A	190	ASN	0	0.035	0.023	36.902	0.003	0.003	0.000	0.000	0.000	0.000
21	A	191	LYS	1	0.741	0.878	31.750	0.171	0.171	0.000	0.000	0.000	0.000
22	A	192	ASN	0	-0.010	-0.012	34.182	0.010	0.010	0.000	0.000	0.000	0.000
23	A	193	TYR	0	-0.021	-0.031	30.246	-0.013	-0.013	0.000	0.000	0.000	0.000
24	A	194	VAL	0	-0.006	-0.003	28.929	0.008	0.008	0.000	0.000	0.000	0.000
25	A	195	PHE	0	0.027	0.019	29.660	-0.010	-0.010	0.000	0.000	0.000	0.000
26	A	196	ASN	0	0.005	-0.018	25.723	-0.022	-0.022	0.000	0.000	0.000	0.000
27	A	197	LYS	1	0.790	0.908	23.545	0.257	0.257	0.000	0.000	0.000	0.000
28	A	198	ALA	0	0.100	0.062	28.568	0.013	0.013	0.000	0.000	0.000	0.000
29	A	199	ASP	-1	-0.903	-0.953	30.552	-0.156	-0.156	0.000	0.000	0.000	0.000
30	A	200	TYR	0	-0.084	-0.037	30.173	0.006	0.006	0.000	0.000	0.000	0.000
31	A	201	GLN	0	-0.029	-0.006	34.915	-0.002	-0.002	0.000	0.000	0.000	0.000
32	A	202	TYR	0	0.019	-0.018	31.815	0.000	0.000	0.000	0.000	0.000	0.000
33	A	203	THR	0	-0.056	-0.044	38.689	0.006	0.006	0.000	0.000	0.000	0.000
34	A	204	LEU	0	-0.004	0.011	40.270	-0.001	-0.001	0.000	0.000	0.000	0.000
35	A	205	THR	0	-0.014	-0.022	43.270	0.005	0.005	0.000	0.000	0.000	0.000
36	A	206	ASN	0	0.046	0.045	45.595	0.005	0.005	0.000	0.000	0.000	0.000
37	A	207	PRO	0	0.028	0.004	45.594	-0.004	-0.004	0.000	0.000	0.000	0.000
38	A	208	SER	0	-0.032	-0.028	46.629	-0.001	-0.001	0.000	0.000	0.000	0.000
39	A	209	LEU	0	0.010	0.013	43.886	0.000	0.000	0.000	0.000	0.000	0.000
40	A	210	GLY	0	0.061	0.013	42.421	-0.004	-0.004	0.000	0.000	0.000	0.000
41	A	211	LYS	1	0.901	0.969	42.797	0.094	0.094	0.000	0.000	0.000	0.000
42	A	212	ILE	0	0.016	0.009	38.431	-0.005	-0.005	0.000	0.000	0.000	0.000
43	A	213	VAL	0	-0.039	-0.036	38.588	0.009	0.009	0.000	0.000	0.000	0.000
44	A	214	GLY	0	0.026	0.032	36.387	-0.006	-0.006	0.000	0.000	0.000	0.000
45	A	215	GLY	0	0.014	-0.004	33.085	0.004	0.004	0.000	0.000	0.000	0.000
46	A	216	ILE	0	-0.037	-0.024	32.788	-0.013	-0.013	0.000	0.000	0.000	0.000
47	A	217	LEU	0	-0.025	-0.004	35.001	0.011	0.011	0.000	0.000	0.000	0.000
48	A	218	TYR	0	-0.013	-0.014	36.977	-0.006	-0.006	0.000	0.000	0.000	0.000
49	A	219	PRO	0	-0.040	-0.019	38.180	0.007	0.007	0.000	0.000	0.000	0.000
50	A	220	ASN	0	-0.083	-0.034	41.293	0.002	0.002	0.000	0.000	0.000	0.000
51	A	221	ALA	0	0.008	0.000	45.008	0.003	0.003	0.000	0.000	0.000	0.000
52	A	222	THR	0	0.001	0.003	43.472	-0.003	-0.003	0.000	0.000	0.000	0.000
53	A	223	GLY	0	0.010	0.000	44.085	0.005	0.005	0.000	0.000	0.000	0.000
54	A	224	SER	0	-0.043	-0.033	43.218	-0.006	-0.006	0.000	0.000	0.000	0.000
55	A	225	THR	0	0.001	-0.001	42.760	0.005	0.005	0.000	0.000	0.000	0.000
56	A	226	THR	0	-0.021	-0.016	41.348	-0.003	-0.003	0.000	0.000	0.000	0.000
57	A	227	VAL	0	-0.018	-0.003	36.901	0.002	0.002	0.000	0.000	0.000	0.000
58	A	228	LYS	1	0.864	0.919	39.142	0.080	0.080	0.000	0.000	0.000	0.000
59	A	229	ILE	0	0.018	0.005	34.219	-0.003	-0.003	0.000	0.000	0.000	0.000
60	A	230	SER	0	0.034	0.022	37.905	0.003	0.003	0.000	0.000	0.000	0.000
61	A	231	ASP	-1	-0.730	-0.819	36.699	-0.100	-0.100	0.000	0.000	0.000	0.000
62	A	232	LYS	1	1.000	0.990	38.294	0.084	0.084	0.000	0.000	0.000	0.000
63	A	233	SER	0	-0.107	-0.079	40.436	0.005	0.005	0.000	0.000	0.000	0.000
64	A	234	GLY	0	0.002	0.005	42.394	0.004	0.004	0.000	0.000	0.000	0.000
65	A	235	LYS	1	0.854	0.914	38.569	0.089	0.089	0.000	0.000	0.000	0.000
66	A	236	ILE	0	0.015	-0.003	40.427	-0.005	-0.005	0.000	0.000	0.000	0.000
67	A	237	ILE	0	-0.037	-0.011	34.245	0.002	0.002	0.000	0.000	0.000	0.000
68	A	238	LYS	1	0.820	0.888	31.767	0.145	0.145	0.000	0.000	0.000	0.000
69	A	239	GLU	-1	-0.764	-0.840	37.492	-0.084	-0.084	0.000	0.000	0.000	0.000
70	A	240	VAL	0	-0.048	-0.009	34.953	-0.001	-0.001	0.000	0.000	0.000	0.000
71	A	241	PRO	0	0.021	0.010	37.699	0.002	0.002	0.000	0.000	0.000	0.000
72	A	242	LEU	0	-0.020	-0.017	37.246	-0.008	-0.008	0.000	0.000	0.000	0.000
73	A	243	SER	0	-0.035	-0.036	38.473	0.008	0.008	0.000	0.000	0.000	0.000
74	A	244	VAL	0	0.006	0.017	38.708	-0.008	-0.008	0.000	0.000	0.000	0.000
75	A	245	THR	0	-0.010	-0.021	38.417	0.006	0.006	0.000	0.000	0.000	0.000
76	A	246	ALA	0	0.053	0.005	40.984	0.000	0.000	0.000	0.000	0.000	0.000
77	A	247	SER	0	0.007	0.006	39.775	-0.008	-0.008	0.000	0.000	0.000	0.000
78	A	248	THR	0	-0.018	-0.024	34.948	0.004	0.004	0.000	0.000	0.000	0.000
79	A	249	GLU	-1	-0.882	-0.924	37.848	-0.105	-0.105	0.000	0.000	0.000	0.000
80	A	250	ASP	-1	-0.757	-0.877	38.194	-0.125	-0.125	0.000	0.000	0.000	0.000
81	A	251	ASN	0	0.013	-0.011	40.588	0.000	0.000	0.000	0.000	0.000	0.000
82	A	252	PHE	0	-0.013	0.012	35.604	0.000	0.000	0.000	0.000	0.000	0.000
83	A	253	THR	0	0.034	0.003	35.693	-0.002	-0.002	0.000	0.000	0.000	0.000
84	A	254	LYS	1	0.871	0.924	37.356	0.098	0.098	0.000	0.000	0.000	0.000
85	A	255	LEU	0	0.000	0.000	38.259	0.004	0.004	0.000	0.000	0.000	0.000
86	A	256	LEU	0	-0.013	-0.001	32.339	-0.002	-0.002	0.000	0.000	0.000	0.000
87	A	257	ASP	-1	-0.883	-0.951	35.671	-0.127	-0.127	0.000	0.000	0.000	0.000
88	A	258	LYS	1	0.884	0.932	38.163	0.090	0.090	0.000	0.000	0.000	0.000
89	A	259	TRP	0	0.039	0.003	31.345	0.009	0.009	0.000	0.000	0.000	0.000
90	A	260	ASN	0	0.012	0.022	33.893	-0.005	-0.005	0.000	0.000	0.000	0.000
91	A	261	ASP	-1	-0.859	-0.926	36.133	-0.098	-0.098	0.000	0.000	0.000	0.000
92	A	262	VAL	0	-0.030	-0.024	37.783	0.006	0.006	0.000	0.000	0.000	0.000
93	A	263	THR	0	-0.107	-0.047	33.590	0.002	0.002	0.000	0.000	0.000	0.000
94	A	264	ILE	0	-0.022	-0.008	32.709	0.002	0.002	0.000	0.000	0.000	0.000
95	A	265	GLY	0	0.031	0.008	36.871	0.006	0.006	0.000	0.000	0.000	0.000
96	A	266	ASN	0	-0.034	-0.040	36.159	0.009	0.009	0.000	0.000	0.000	0.000
97	A	267	TYR	0	-0.032	-0.006	40.370	0.005	0.005	0.000	0.000	0.000	0.000
98	A	268	VAL	0	-0.066	-0.026	43.467	0.004	0.004	0.000	0.000	0.000	0.000
99	A	269	TYR	0	0.010	-0.005	41.742	0.003	0.003	0.000	0.000	0.000	0.000
100	A	270	ASP	-1	-0.852	-0.927	44.300	-0.057	-0.057	0.000	0.000	0.000	0.000
101	A	271	THR	0	0.006	-0.008	46.705	0.000	0.000	0.000	0.000	0.000	0.000
102	A	272	ASN	0	-0.085	-0.047	47.987	0.003	0.003	0.000	0.000	0.000	0.000
103	A	273	ASP	-1	-0.781	-0.868	46.654	-0.057	-0.057	0.000	0.000	0.000	0.000
104	A	274	SER	0	0.038	0.004	46.400	-0.002	-0.002	0.000	0.000	0.000	0.000
105	A	275	ASN	0	-0.035	-0.020	44.310	0.001	0.001	0.000	0.000	0.000	0.000
106	A	276	MET	0	-0.001	0.033	42.165	-0.004	-0.004	0.000	0.000	0.000	0.000
107	A	277	GLN	0	0.069	0.026	41.486	-0.008	-0.008	0.000	0.000	0.000	0.000
108	A	278	LYS	1	0.833	0.916	41.462	0.050	0.050	0.000	0.000	0.000	0.000
109	A	279	LEU	0	-0.051	-0.010	36.182	-0.002	-0.002	0.000	0.000	0.000	0.000
110	A	280	ASN	0	0.052	0.028	37.032	-0.010	-0.010	0.000	0.000	0.000	0.000
111	A	281	GLN	0	-0.029	-0.011	37.214	-0.004	-0.004	0.000	0.000	0.000	0.000
112	A	282	LYS	1	0.827	0.897	33.792	0.074	0.074	0.000	0.000	0.000	0.000
113	A	283	LEU	0	0.011	0.022	30.984	-0.004	-0.004	0.000	0.000	0.000	0.000
114	A	284	ASP	-1	-0.682	-0.786	32.519	-0.114	-0.114	0.000	0.000	0.000	0.000
115	A	285	GLU	-1	-0.844	-0.903	33.459	-0.076	-0.076	0.000	0.000	0.000	0.000
116	A	286	THR	0	-0.067	-0.058	28.646	0.000	0.000	0.000	0.000	0.000	0.000
117	A	287	ASN	0	0.013	-0.014	28.868	-0.014	-0.014	0.000	0.000	0.000	0.000
118	A	288	ALA	0	-0.001	-0.001	29.041	-0.011	-0.011	0.000	0.000	0.000	0.000
119	A	289	LYN	0	0.023	0.032	28.612	-0.001	-0.001	0.000	0.000	0.000	0.000
120	A	290	ASN	0	0.004	0.000	24.991	-0.005	-0.005	0.000	0.000	0.000	0.000
121	A	291	ILE	0	0.010	-0.009	24.806	-0.019	-0.019	0.000	0.000	0.000	0.000
122	A	292	GLU	-1	-0.977	-0.977	26.671	-0.126	-0.126	0.000	0.000	0.000	0.000
123	A	293	ALA	0	0.068	0.035	24.239	-0.008	-0.008	0.000	0.000	0.000	0.000
124	A	294	ILE	0	-0.070	-0.019	20.253	-0.008	-0.008	0.000	0.000	0.000	0.000
125	A	295	LYS	1	0.815	0.909	17.757	0.211	0.211	0.000	0.000	0.000	0.000
126	A	296	LEU	0	0.027	-0.008	19.072	-0.043	-0.043	0.000	0.000	0.000	0.000
127	A	297	ASP	-1	-0.798	-0.870	17.125	-0.323	-0.323	0.000	0.000	0.000	0.000
128	A	298	SER	0	-0.053	-0.039	16.543	-0.055	-0.055	0.000	0.000	0.000	0.000
129	A	299	ASN	0	-0.038	-0.032	12.936	-0.090	-0.090	0.000	0.000	0.000	0.000
130	A	300	ARG	1	0.862	0.948	12.201	0.471	0.471	0.000	0.000	0.000	0.000
131	A	301	THR	0	0.061	-0.007	7.928	-0.108	-0.108	0.000	0.000	0.000	0.000
132	A	302	PHE	0	-0.055	-0.023	10.431	-0.024	-0.024	0.000	0.000	0.000	0.000
133	A	303	LEU	0	0.024	0.019	13.229	0.021	0.021	0.000	0.000	0.000	0.000
134	A	304	TRP	0	0.031	-0.009	16.837	0.027	0.027	0.000	0.000	0.000	0.000
135	A	305	LYS	1	0.866	0.913	17.047	-0.001	-0.001	0.000	0.000	0.000	0.000
136	A	306	ASP	-1	-0.820	-0.875	18.477	-0.097	-0.097	0.000	0.000	0.000	0.000
137	A	307	LEU	0	-0.080	-0.048	16.718	0.016	0.016	0.000	0.000	0.000	0.000
138	A	308	ASP	-1	-0.828	-0.900	14.239	-0.055	-0.055	0.000	0.000	0.000	0.000
139	A	309	ASN	0	0.037	0.017	9.199	-0.028	-0.028	0.000	0.000	0.000	0.000
140	A	310	LEU	0	0.018	0.013	10.230	0.024	0.024	0.000	0.000	0.000	0.000
141	A	311	ASN	0	0.024	0.011	5.741	-0.667	-0.667	0.000	0.000	0.000	0.000
142	A	312	ASN	0	-0.035	-0.008	8.707	0.015	0.015	0.000	0.000	0.000	0.000
143	A	313	SER	0	0.028	-0.017	12.252	-0.031	-0.031	0.000	0.000	0.000	0.000
144	A	314	ALA	0	0.026	0.028	14.110	-0.011	-0.011	0.000	0.000	0.000	0.000
145	A	315	GLN	0	-0.001	0.000	14.146	-0.003	-0.003	0.000	0.000	0.000	0.000
146	A	316	LEU	0	0.017	0.033	12.130	-0.001	-0.001	0.000	0.000	0.000	0.000
147	A	317	THR	0	-0.030	-0.060	14.975	-0.007	-0.007	0.000	0.000	0.000	0.000
148	A	318	ALA	0	-0.050	-0.025	18.517	0.013	0.013	0.000	0.000	0.000	0.000
149	A	319	THR	0	-0.003	-0.013	15.816	0.019	0.019	0.000	0.000	0.000	0.000
150	A	320	TYR	0	0.045	-0.001	15.495	-0.019	-0.019	0.000	0.000	0.000	0.000
151	A	321	ARG	1	0.891	0.960	19.907	0.221	0.221	0.000	0.000	0.000	0.000
152	A	322	ARG	1	0.819	0.895	21.347	0.183	0.183	0.000	0.000	0.000	0.000
153	A	323	LEU	0	-0.032	-0.008	19.589	0.010	0.010	0.000	0.000	0.000	0.000
154	A	324	GLU	-1	-0.786	-0.863	23.895	-0.180	-0.180	0.000	0.000	0.000	0.000
155	A	325	ASP	-1	-0.873	-0.933	26.155	-0.143	-0.143	0.000	0.000	0.000	0.000
156	A	326	LEU	0	-0.015	0.005	25.761	0.014	0.014	0.000	0.000	0.000	0.000
157	A	327	ALA	0	0.018	0.007	27.933	0.012	0.012	0.000	0.000	0.000	0.000
158	A	328	LYS	1	0.785	0.894	28.545	0.170	0.170	0.000	0.000	0.000	0.000
159	A	329	GLN	0	0.018	-0.009	32.259	0.009	0.009	0.000	0.000	0.000	0.000
160	A	330	ILE	0	0.003	0.005	29.409	0.006	0.006	0.000	0.000	0.000	0.000
161	A	331	THR	0	-0.031	-0.035	33.284	0.008	0.008	0.000	0.000	0.000	0.000
162	A	332	ASN	0	-0.005	0.000	35.751	0.009	0.009	0.000	0.000	0.000	0.000
163	A	333	PRO	0	-0.039	-0.045	38.304	0.000	0.000	0.000	0.000	0.000	0.000
164	A	334	HIS	0	-0.005	0.011	40.964	0.005	0.005	0.000	0.000	0.000	0.000
165	A	335	SER	0	-0.020	-0.011	36.197	0.000	0.000	0.000	0.000	0.000	0.000
166	A	336	THR	0	-0.061	-0.070	37.029	-0.001	-0.001	0.000	0.000	0.000	0.000
167	A	337	ILE	0	-0.053	-0.039	31.396	-0.004	-0.004	0.000	0.000	0.000	0.000
168	A	338	TYR	0	0.040	0.037	34.603	-0.008	-0.008	0.000	0.000	0.000	0.000
169	A	339	LYS	1	0.855	0.921	35.264	0.109	0.109	0.000	0.000	0.000	0.000
170	A	340	ASN	0	0.007	0.019	33.057	-0.009	-0.009	0.000	0.000	0.000	0.000
171	A	341	GLU	-1	-0.707	-0.837	31.327	-0.170	-0.170	0.000	0.000	0.000	0.000
172	A	342	LYS	1	0.928	0.978	26.483	0.179	0.179	0.000	0.000	0.000	0.000
173	A	343	ALA	0	0.012	0.025	28.170	-0.017	-0.017	0.000	0.000	0.000	0.000
174	A	344	ILE	0	0.031	0.006	27.764	-0.017	-0.017	0.000	0.000	0.000	0.000
175	A	345	ARG	1	0.769	0.877	26.185	0.189	0.189	0.000	0.000	0.000	0.000
176	A	346	THR	0	-0.011	-0.020	23.693	-0.025	-0.025	0.000	0.000	0.000	0.000
177	A	347	VAL	0	0.012	0.019	22.900	-0.029	-0.029	0.000	0.000	0.000	0.000
178	A	348	LYS	1	0.805	0.880	22.523	0.219	0.219	0.000	0.000	0.000	0.000
179	A	349	GLU	-1	-0.907	-0.965	20.827	-0.324	-0.324	0.000	0.000	0.000	0.000
180	A	350	SER	0	-0.036	-0.031	18.491	-0.068	-0.068	0.000	0.000	0.000	0.000
181	A	351	LEU	0	-0.009	-0.005	17.612	-0.062	-0.062	0.000	0.000	0.000	0.000
182	A	352	ALA	0	0.008	0.017	17.619	-0.060	-0.060	0.000	0.000	0.000	0.000
183	A	353	TRP	0	-0.006	-0.011	11.631	-0.039	-0.039	0.000	0.000	0.000	0.000
184	A	354	LEU	0	0.002	0.004	13.095	-0.154	-0.154	0.000	0.000	0.000	0.000
185	A	355	HIS	0	-0.040	-0.008	13.077	-0.125	-0.125	0.000	0.000	0.000	0.000
186	A	356	GLN	0	-0.025	-0.020	11.382	0.029	0.029	0.000	0.000	0.000	0.000
187	A	357	ASN	0	-0.017	-0.002	8.810	-0.305	-0.305	0.000	0.000	0.000	0.000
188	A	358	PHE	0	-0.014	-0.018	7.331	-0.575	-0.575	0.000	0.000	0.000	0.000
189	A	359	TYR	0	-0.037	-0.030	10.135	0.024	0.024	0.000	0.000	0.000	0.000
190	A	360	ASN	0	0.029	-0.003	10.731	0.181	0.181	0.000	0.000	0.000	0.000
191	A	361	VAL	0	0.039	0.000	13.499	-0.050	-0.050	0.000	0.000	0.000	0.000
192	A	362	ASN	0	-0.082	-0.016	10.804	0.134	0.134	0.000	0.000	0.000	0.000
193	A	363	LYS	1	0.862	0.935	6.429	2.363	2.363	0.000	0.000	0.000	0.000
194	A	364	ASP	-1	-0.845	-0.920	10.482	-0.492	-0.492	0.000	0.000	0.000	0.000
195	A	365	ILE	0	-0.080	-0.044	11.403	-0.089	-0.089	0.000	0.000	0.000	0.000
196	A	366	GLU	-1	-0.844	-0.934	7.625	-0.958	-0.958	0.000	0.000	0.000	0.000
197	A	367	GLY	0	-0.002	0.012	11.044	0.112	0.112	0.000	0.000	0.000	0.000
198	A	368	SER	0	-0.052	-0.027	10.807	0.096	0.096	0.000	0.000	0.000	0.000
199	A	369	ALA	0	-0.064	-0.017	11.590	0.023	0.023	0.000	0.000	0.000	0.000
200	A	370	ASN	0	-0.044	-0.040	13.394	0.043	0.043	0.000	0.000	0.000	0.000
201	A	371	TRP	0	0.083	0.018	17.029	-0.033	-0.033	0.000	0.000	0.000	0.000
202	A	372	TRP	0	0.002	0.019	18.512	-0.023	-0.023	0.000	0.000	0.000	0.000
203	A	373	ASP	-1	-0.747	-0.833	16.875	-0.237	-0.237	0.000	0.000	0.000	0.000
204	A	374	PHE	0	0.047	0.024	11.074	0.013	0.013	0.000	0.000	0.000	0.000
205	A	375	GLU	-1	-0.772	-0.874	17.268	-0.247	-0.247	0.000	0.000	0.000	0.000
206	A	376	ILE	0	-0.038	-0.018	20.896	0.019	0.019	0.000	0.000	0.000	0.000
207	A	377	GLY	0	-0.047	-0.030	21.020	0.003	0.003	0.000	0.000	0.000	0.000
208	A	378	VAL	0	0.047	0.018	16.341	0.016	0.016	0.000	0.000	0.000	0.000
209	A	379	PRO	0	0.014	0.017	19.369	0.013	0.013	0.000	0.000	0.000	0.000
210	A	380	ARG	1	0.890	0.931	22.182	0.169	0.169	0.000	0.000	0.000	0.000
211	A	381	SER	0	-0.051	-0.026	21.876	0.006	0.006	0.000	0.000	0.000	0.000
212	A	382	ILE	0	-0.009	0.010	18.540	0.009	0.009	0.000	0.000	0.000	0.000
213	A	383	THR	0	-0.008	-0.029	23.068	0.018	0.018	0.000	0.000	0.000	0.000
214	A	384	GLY	0	0.016	0.012	26.474	0.014	0.014	0.000	0.000	0.000	0.000
215	A	385	THR	0	-0.006	-0.034	24.476	0.013	0.013	0.000	0.000	0.000	0.000
216	A	386	LEU	0	-0.038	-0.023	23.735	0.007	0.007	0.000	0.000	0.000	0.000
217	A	387	SER	0	0.002	-0.002	27.742	0.011	0.011	0.000	0.000	0.000	0.000
218	A	388	LEU	0	-0.027	0.004	29.944	0.011	0.011	0.000	0.000	0.000	0.000
219	A	389	MET	0	-0.056	-0.020	28.513	0.006	0.006	0.000	0.000	0.000	0.000
220	A	390	ASN	0	0.063	0.046	30.874	-0.013	-0.013	0.000	0.000	0.000	0.000
221	A	391	ASN	0	0.007	0.000	32.248	-0.010	-0.010	0.000	0.000	0.000	0.000
222	A	392	TYR	0	0.039	0.014	30.336	0.010	0.010	0.000	0.000	0.000	0.000
223	A	393	PHE	0	-0.024	0.002	24.044	-0.018	-0.018	0.000	0.000	0.000	0.000
224	A	394	THR	0	0.032	0.002	27.490	0.013	0.013	0.000	0.000	0.000	0.000
225	A	395	ASP	-1	-0.725	-0.876	28.144	-0.186	-0.186	0.000	0.000	0.000	0.000
226	A	396	ALA	0	0.011	0.014	26.544	-0.007	-0.007	0.000	0.000	0.000	0.000
227	A	397	GLU	-1	-0.785	-0.861	23.704	-0.293	-0.293	0.000	0.000	0.000	0.000
228	A	398	ILE	0	0.019	0.019	23.522	-0.027	-0.027	0.000	0.000	0.000	0.000
229	A	399	LYS	1	0.892	0.953	23.860	0.266	0.266	0.000	0.000	0.000	0.000
230	A	400	THR	0	-0.011	-0.011	19.376	-0.014	-0.014	0.000	0.000	0.000	0.000
231	A	401	TYR	0	-0.022	-0.030	19.107	-0.050	-0.050	0.000	0.000	0.000	0.000
232	A	402	THR	0	-0.008	-0.028	20.743	-0.004	-0.004	0.000	0.000	0.000	0.000
233	A	403	ASP	-1	-0.783	-0.856	20.283	-0.301	-0.301	0.000	0.000	0.000	0.000
234	A	404	PRO	0	-0.023	-0.005	16.471	0.004	0.004	0.000	0.000	0.000	0.000
235	A	405	ILE	0	-0.008	0.001	18.450	0.004	0.004	0.000	0.000	0.000	0.000
236	A	406	GLU	-1	-0.814	-0.862	21.275	-0.209	-0.209	0.000	0.000	0.000	0.000
237	A	407	HIS	0	-0.028	-0.015	14.979	0.070	0.070	0.000	0.000	0.000	0.000
238	A	408	PHE	0	-0.018	-0.016	13.405	0.020	0.020	0.000	0.000	0.000	0.000
239	A	409	VAL	0	-0.051	-0.020	19.420	0.030	0.030	0.000	0.000	0.000	0.000
240	A	410	PRO	0	0.025	0.030	22.399	0.014	0.014	0.000	0.000	0.000	0.000
241	A	411	ASP	-1	-0.807	-0.908	25.186	-0.119	-0.119	0.000	0.000	0.000	0.000
242	A	412	ALA	0	0.062	0.029	27.860	-0.002	-0.002	0.000	0.000	0.000	0.000
243	A	413	GLU	-1	-0.808	-0.871	30.040	-0.091	-0.091	0.000	0.000	0.000	0.000
244	A	414	TYR	0	-0.077	-0.054	27.578	0.014	0.014	0.000	0.000	0.000	0.000
245	A	415	PHE	0	0.036	0.022	24.253	-0.009	-0.009	0.000	0.000	0.000	0.000
246	A	416	ARG	1	0.832	0.897	20.841	0.157	0.157	0.000	0.000	0.000	0.000
247	A	417	LYS	1	0.816	0.907	22.358	0.146	0.146	0.000	0.000	0.000	0.000
248	A	418	THR	0	0.034	0.039	17.708	0.022	0.022	0.000	0.000	0.000	0.000
249	A	419	LEU	0	-0.009	0.001	16.252	-0.007	-0.007	0.000	0.000	0.000	0.000
250	A	420	VAL	0	0.022	-0.001	20.025	0.016	0.016	0.000	0.000	0.000	0.000
251	A	421	ASN	0	-0.017	-0.005	21.786	0.002	0.002	0.000	0.000	0.000	0.000
252	A	422	PRO	0	0.042	0.033	24.545	-0.002	-0.002	0.000	0.000	0.000	0.000
253	A	423	PHE	0	-0.053	-0.036	25.300	0.017	0.017	0.000	0.000	0.000	0.000
254	A	424	LYS	1	0.841	0.914	28.572	0.082	0.082	0.000	0.000	0.000	0.000
255	A	425	ALA	0	-0.005	0.002	29.715	0.003	0.003	0.000	0.000	0.000	0.000
256	A	426	LEU	0	0.051	0.011	31.074	0.007	0.007	0.000	0.000	0.000	0.000
257	A	427	GLY	0	0.057	0.020	32.990	-0.003	-0.003	0.000	0.000	0.000	0.000
258	A	428	GLY	0	0.036	0.004	33.397	-0.004	-0.004	0.000	0.000	0.000	0.000
259	A	429	ASN	0	-0.040	-0.023	28.868	-0.011	-0.011	0.000	0.000	0.000	0.000
260	A	430	LEU	0	-0.012	0.020	30.055	-0.011	-0.011	0.000	0.000	0.000	0.000
261	A	431	VAL	0	0.011	0.014	32.603	-0.004	-0.004	0.000	0.000	0.000	0.000
262	A	432	ASP	-1	-0.796	-0.879	28.133	-0.147	-0.147	0.000	0.000	0.000	0.000
263	A	433	MET	0	-0.018	0.018	26.768	-0.016	-0.016	0.000	0.000	0.000	0.000
264	A	434	GLY	0	0.023	0.015	29.526	-0.007	-0.007	0.000	0.000	0.000	0.000
265	A	435	ARG	1	0.803	0.884	30.419	0.117	0.117	0.000	0.000	0.000	0.000
266	A	436	VAL	0	-0.019	0.004	24.919	-0.007	-0.007	0.000	0.000	0.000	0.000
267	A	437	LYS	1	0.842	0.905	25.736	0.219	0.219	0.000	0.000	0.000	0.000
268	A	438	ILE	0	-0.004	0.012	29.295	0.001	0.001	0.000	0.000	0.000	0.000
269	A	439	ILE	0	0.019	0.012	30.021	0.000	0.000	0.000	0.000	0.000	0.000
270	A	440	GLH	0	0.010	-0.057	25.220	-0.005	-0.005	0.000	0.000	0.000	0.000
271	A	441	GLY	0	0.007	0.005	28.567	-0.007	-0.007	0.000	0.000	0.000	0.000
272	A	442	LEU	0	-0.043	-0.014	31.340	0.003	0.003	0.000	0.000	0.000	0.000
273	A	443	LEU	0	-0.046	-0.025	27.428	0.000	0.000	0.000	0.000	0.000	0.000
274	A	444	ARG	1	0.785	0.882	24.130	0.256	0.256	0.000	0.000	0.000	0.000
275	A	445	LYS	1	0.777	0.884	29.915	0.149	0.149	0.000	0.000	0.000	0.000
276	A	446	ASP	-1	-0.791	-0.863	31.139	-0.151	-0.151	0.000	0.000	0.000	0.000
277	A	447	ASN	0	0.019	-0.034	33.504	-0.005	-0.005	0.000	0.000	0.000	0.000
278	A	448	THR	0	-0.056	-0.038	33.477	0.006	0.006	0.000	0.000	0.000	0.000
279	A	449	ILE	0	0.040	0.028	28.533	0.003	0.003	0.000	0.000	0.000	0.000
280	A	450	ILE	0	-0.006	0.017	32.559	0.003	0.003	0.000	0.000	0.000	0.000
281	A	451	GLU	-1	-0.824	-0.866	35.082	-0.100	-0.100	0.000	0.000	0.000	0.000
282	A	452	LYS	1	0.847	0.910	33.323	0.127	0.127	0.000	0.000	0.000	0.000
283	A	453	THR	0	-0.025	-0.038	32.118	-0.001	-0.001	0.000	0.000	0.000	0.000
284	A	454	SER	0	-0.026	-0.024	33.835	0.005	0.005	0.000	0.000	0.000	0.000
285	A	455	HIS	0	-0.094	-0.055	37.123	0.010	0.010	0.000	0.000	0.000	0.000
286	A	456	SER	0	0.001	-0.017	32.602	0.008	0.008	0.000	0.000	0.000	0.000
287	A	457	LEU	0	-0.002	-0.013	35.007	0.006	0.006	0.000	0.000	0.000	0.000
288	A	458	LYS	1	0.832	0.906	36.762	0.083	0.083	0.000	0.000	0.000	0.000
289	A	459	ASN	0	-0.036	-0.017	37.124	0.009	0.009	0.000	0.000	0.000	0.000
290	A	460	LEU	0	-0.035	-0.014	36.575	0.003	0.003	0.000	0.000	0.000	0.000
291	A	461	PHE	0	-0.037	-0.016	39.900	0.004	0.004	0.000	0.000	0.000	0.000
292	A	462	THR	0	0.006	-0.004	41.444	0.004	0.004	0.000	0.000	0.000	0.000
293	A	463	THR	0	-0.041	-0.025	44.429	0.000	0.000	0.000	0.000	0.000	0.000
294	A	464	ALA	0	-0.004	0.008	42.854	0.001	0.001	0.000	0.000	0.000	0.000
295	A	465	THR	0	0.007	-0.018	44.727	0.002	0.002	0.000	0.000	0.000	0.000
296	A	466	LYS	1	0.944	0.959	42.286	0.034	0.034	0.000	0.000	0.000	0.000
297	A	467	ALA	0	-0.005	0.022	38.593	-0.003	-0.003	0.000	0.000	0.000	0.000
298	A	468	GLU	-1	-0.802	-0.883	35.503	-0.049	-0.049	0.000	0.000	0.000	0.000
299	A	469	GLY	0	0.011	0.014	38.951	-0.002	-0.002	0.000	0.000	0.000	0.000
300	A	470	PHE	0	0.011	-0.006	40.930	0.004	0.004	0.000	0.000	0.000	0.000
301	A	471	TYR	0	-0.002	-0.015	43.108	0.001	0.001	0.000	0.000	0.000	0.000
302	A	472	ALA	0	0.014	-0.004	47.309	-0.001	-0.001	0.000	0.000	0.000	0.000
303	A	473	ASP	-1	-0.789	-0.850	50.316	-0.031	-0.031	0.000	0.000	0.000	0.000
304	A	474	GLY	0	0.029	0.019	49.304	0.001	0.001	0.000	0.000	0.000	0.000
305	A	475	SER	0	-0.021	-0.040	46.910	-0.001	-0.001	0.000	0.000	0.000	0.000
306	A	476	TYR	0	-0.030	-0.040	36.923	-0.003	-0.003	0.000	0.000	0.000	0.000
307	A	477	ILE	0	-0.019	0.019	39.999	0.002	0.002	0.000	0.000	0.000	0.000
308	A	478	ASP	-1	-0.806	-0.901	34.930	-0.067	-0.067	0.000	0.000	0.000	0.000
309	A	479	HIS	1	0.785	0.843	32.049	0.053	0.053	0.000	0.000	0.000	0.000
310	A	480	THR	0	-0.007	-0.003	35.626	0.006	0.006	0.000	0.000	0.000	0.000
311	A	481	ASN	0	-0.028	-0.020	37.899	0.000	0.000	0.000	0.000	0.000	0.000
312	A	482	VAL	0	0.016	0.021	38.106	0.004	0.004	0.000	0.000	0.000	0.000
313	A	483	ALA	0	0.041	0.018	40.771	-0.004	-0.004	0.000	0.000	0.000	0.000
314	A	484	TYR	0	-0.058	-0.064	36.079	0.001	0.001	0.000	0.000	0.000	0.000
315	A	485	THR	0	0.029	0.014	39.977	-0.004	-0.004	0.000	0.000	0.000	0.000
316	A	486	GLY	0	0.041	0.016	41.547	-0.004	-0.004	0.000	0.000	0.000	0.000
317	A	487	ALA	0	-0.062	-0.036	37.109	0.001	0.001	0.000	0.000	0.000	0.000
318	A	488	TYR	0	0.000	0.006	31.195	-0.002	-0.002	0.000	0.000	0.000	0.000
319	A	489	GLY	0	0.047	0.030	36.509	-0.005	-0.005	0.000	0.000	0.000	0.000
320	A	490	ASN	0	-0.060	-0.051	38.816	-0.001	-0.001	0.000	0.000	0.000	0.000
321	A	491	VAL	0	0.010	0.008	32.528	-0.003	-0.003	0.000	0.000	0.000	0.000
322	A	492	LEU	0	-0.039	0.003	35.726	-0.006	-0.006	0.000	0.000	0.000	0.000
323	A	493	ILE	0	0.053	0.020	36.951	-0.004	-0.004	0.000	0.000	0.000	0.000
324	A	494	ASP	-1	-0.776	-0.833	37.257	-0.084	-0.084	0.000	0.000	0.000	0.000
325	A	495	GLY	0	0.006	-0.014	35.348	-0.003	-0.003	0.000	0.000	0.000	0.000
326	A	496	LEU	0	0.008	0.001	36.227	-0.004	-0.004	0.000	0.000	0.000	0.000
327	A	497	THR	0	-0.044	-0.041	38.516	-0.002	-0.002	0.000	0.000	0.000	0.000
328	A	498	GLN	0	-0.018	0.001	34.895	-0.002	-0.002	0.000	0.000	0.000	0.000
329	A	499	LEU	0	0.005	0.010	34.188	-0.003	-0.003	0.000	0.000	0.000	0.000
330	A	500	LEU	0	0.030	0.007	37.696	-0.001	-0.001	0.000	0.000	0.000	0.000
331	A	501	PRO	0	-0.001	-0.012	40.680	0.001	0.001	0.000	0.000	0.000	0.000
332	A	502	ILE	0	0.008	0.013	36.797	0.001	0.001	0.000	0.000	0.000	0.000
333	A	503	ILE	0	0.011	0.005	37.508	0.001	0.001	0.000	0.000	0.000	0.000
334	A	504	GLN	0	0.026	0.000	40.333	-0.001	-0.001	0.000	0.000	0.000	0.000
335	A	505	GLU	-1	-0.845	-0.878	42.321	-0.079	-0.079	0.000	0.000	0.000	0.000
336	A	506	THR	0	-0.048	-0.032	38.497	0.000	0.000	0.000	0.000	0.000	0.000
337	A	507	ASP	-1	-0.856	-0.929	41.903	-0.089	-0.089	0.000	0.000	0.000	0.000
338	A	508	TYR	0	-0.075	-0.055	39.741	0.004	0.004	0.000	0.000	0.000	0.000
339	A	509	LYS	1	0.818	0.921	41.938	0.079	0.079	0.000	0.000	0.000	0.000
340	A	510	ILE	0	-0.056	-0.030	42.397	0.002	0.002	0.000	0.000	0.000	0.000
341	A	511	SER	0	-0.019	-0.035	44.938	0.002	0.002	0.000	0.000	0.000	0.000
342	A	512	ASN	0	0.031	-0.001	48.620	-0.002	-0.002	0.000	0.000	0.000	0.000
343	A	513	GLN	0	0.107	0.051	49.845	0.000	0.000	0.000	0.000	0.000	0.000
344	A	514	GLU	-1	-0.766	-0.830	44.287	-0.069	-0.069	0.000	0.000	0.000	0.000
345	A	515	LEU	0	0.030	0.007	46.838	-0.001	-0.001	0.000	0.000	0.000	0.000
346	A	516	ASP	-1	-0.845	-0.921	48.164	-0.048	-0.048	0.000	0.000	0.000	0.000
347	A	517	MET	0	-0.070	-0.004	46.333	0.002	0.002	0.000	0.000	0.000	0.000
348	A	518	VAL	0	0.007	0.006	44.231	0.001	0.001	0.000	0.000	0.000	0.000
349	A	519	TYR	0	0.021	-0.012	46.697	0.002	0.002	0.000	0.000	0.000	0.000
350	A	520	LYS	1	0.867	0.945	49.144	0.044	0.044	0.000	0.000	0.000	0.000
351	A	521	TRP	0	0.017	0.000	42.605	0.001	0.001	0.000	0.000	0.000	0.000
352	A	522	ILE	0	0.003	0.006	46.864	0.002	0.002	0.000	0.000	0.000	0.000
353	A	523	ASN	0	0.015	-0.009	48.791	0.001	0.001	0.000	0.000	0.000	0.000
354	A	524	GLN	0	-0.056	-0.008	50.986	0.001	0.001	0.000	0.000	0.000	0.000
355	A	525	SER	0	-0.046	-0.049	46.292	0.001	0.001	0.000	0.000	0.000	0.000
356	A	526	PHE	0	-0.035	-0.023	42.059	0.001	0.001	0.000	0.000	0.000	0.000
357	A	527	LEU	0	0.012	0.011	47.875	0.002	0.002	0.000	0.000	0.000	0.000
358	A	528	PRO	0	-0.030	-0.010	51.200	0.002	0.002	0.000	0.000	0.000	0.000
359	A	529	LEU	0	-0.037	-0.012	46.855	0.002	0.002	0.000	0.000	0.000	0.000
360	A	530	ILE	0	-0.024	-0.010	47.429	0.000	0.000	0.000	0.000	0.000	0.000
361	A	531	VAL	0	0.004	0.003	51.047	0.001	0.001	0.000	0.000	0.000	0.000
362	A	532	LYS	1	0.780	0.902	53.131	0.022	0.022	0.000	0.000	0.000	0.000
363	A	533	GLY	0	0.044	0.029	52.038	0.000	0.000	0.000	0.000	0.000	0.000
364	A	534	GLU	-1	-0.858	-0.912	48.693	-0.029	-0.029	0.000	0.000	0.000	0.000
365	A	535	LEU	0	-0.001	-0.003	43.885	0.001	0.001	0.000	0.000	0.000	0.000
366	A	536	MET	0	-0.026	-0.006	46.831	0.001	0.001	0.000	0.000	0.000	0.000
367	A	537	ASP	-1	-0.724	-0.854	45.073	-0.030	-0.030	0.000	0.000	0.000	0.000
368	A	538	MET	0	-0.038	0.011	44.641	-0.001	-0.001	0.000	0.000	0.000	0.000
369	A	539	SER	0	0.017	0.011	44.806	0.000	0.000	0.000	0.000	0.000	0.000
370	A	540	ARG	1	0.794	0.889	40.892	0.034	0.034	0.000	0.000	0.000	0.000
371	A	541	GLY	0	0.085	0.039	39.528	-0.002	-0.002	0.000	0.000	0.000	0.000
372	A	542	ARG	1	0.773	0.865	31.662	0.044	0.044	0.000	0.000	0.000	0.000
373	A	543	SER	0	-0.010	-0.018	37.274	0.000	0.000	0.000	0.000	0.000	0.000
374	A	544	ILE	0	-0.008	0.011	38.201	-0.001	-0.001	0.000	0.000	0.000	0.000
375	A	545	SER	0	-0.041	-0.016	37.389	0.002	0.002	0.000	0.000	0.000	0.000
376	A	546	ARG	1	0.831	0.883	32.012	0.051	0.051	0.000	0.000	0.000	0.000
377	A	547	GLU	-1	-0.806	-0.890	37.957	-0.026	-0.026	0.000	0.000	0.000	0.000
378	A	548	ALA	0	-0.035	-0.020	36.448	-0.001	-0.001	0.000	0.000	0.000	0.000
379	A	549	ALA	0	-0.029	-0.007	37.347	-0.004	-0.004	0.000	0.000	0.000	0.000
380	A	550	SER	0	0.054	0.030	39.431	0.001	0.001	0.000	0.000	0.000	0.000
381	A	551	SER	0	0.048	-0.009	43.168	-0.003	-0.003	0.000	0.000	0.000	0.000
382	A	552	HIS	0	0.033	0.019	45.601	-0.004	-0.004	0.000	0.000	0.000	0.000
383	A	553	ALA	0	-0.025	-0.002	41.417	-0.002	-0.002	0.000	0.000	0.000	0.000
384	A	554	ALA	0	0.021	0.007	41.648	-0.004	-0.004	0.000	0.000	0.000	0.000
385	A	555	ALA	0	0.049	0.034	42.622	-0.002	-0.002	0.000	0.000	0.000	0.000
386	A	556	VAL	0	-0.015	-0.017	43.530	-0.002	-0.002	0.000	0.000	0.000	0.000
387	A	557	GLU	-1	-0.889	-0.929	37.555	-0.070	-0.070	0.000	0.000	0.000	0.000
388	A	558	VAL	0	0.004	0.016	41.293	-0.004	-0.004	0.000	0.000	0.000	0.000
389	A	559	LEU	0	-0.019	-0.005	43.452	-0.001	-0.001	0.000	0.000	0.000	0.000
390	A	560	ARG	1	0.763	0.867	37.444	0.075	0.075	0.000	0.000	0.000	0.000
391	A	561	GLY	0	0.059	0.021	42.508	-0.002	-0.002	0.000	0.000	0.000	0.000
392	A	562	PHE	0	0.005	-0.026	43.071	0.000	0.000	0.000	0.000	0.000	0.000
393	A	563	LEU	0	-0.015	0.003	46.632	0.001	0.001	0.000	0.000	0.000	0.000
394	A	564	ARG	1	0.787	0.865	39.665	0.082	0.082	0.000	0.000	0.000	0.000
395	A	565	LEU	0	0.006	-0.003	45.128	-0.001	-0.001	0.000	0.000	0.000	0.000
396	A	566	ALA	0	-0.010	0.004	46.656	0.001	0.001	0.000	0.000	0.000	0.000
397	A	567	ASN	0	0.002	-0.007	48.334	0.005	0.005	0.000	0.000	0.000	0.000
398	A	568	MET	0	-0.065	-0.009	44.731	-0.002	-0.002	0.000	0.000	0.000	0.000
399	A	569	SER	0	-0.027	-0.039	48.785	0.001	0.001	0.000	0.000	0.000	0.000
400	A	570	ASN	0	0.018	-0.002	52.558	0.000	0.000	0.000	0.000	0.000	0.000
401	A	571	GLU	-1	-0.771	-0.834	54.058	-0.049	-0.049	0.000	0.000	0.000	0.000
402	A	572	GLU	-1	-0.841	-0.932	57.103	-0.040	-0.040	0.000	0.000	0.000	0.000
403	A	573	ARG	1	0.834	0.900	53.154	0.049	0.049	0.000	0.000	0.000	0.000
404	A	574	ASN	0	-0.038	-0.007	52.237	-0.002	-0.002	0.000	0.000	0.000	0.000
405	A	575	LEU	0	0.011	0.004	54.361	-0.001	-0.001	0.000	0.000	0.000	0.000
406	A	576	ASP	-1	-0.830	-0.897	57.218	-0.036	-0.036	0.000	0.000	0.000	0.000
407	A	577	LEU	0	0.001	0.000	49.583	0.001	0.001	0.000	0.000	0.000	0.000
408	A	578	LYS	1	0.871	0.923	52.668	0.052	0.052	0.000	0.000	0.000	0.000
409	A	579	SER	0	0.016	-0.007	54.122	0.001	0.001	0.000	0.000	0.000	0.000
410	A	580	THR	0	-0.034	-0.008	53.611	0.002	0.002	0.000	0.000	0.000	0.000
411	A	581	ILE	0	0.000	0.003	49.486	0.001	0.001	0.000	0.000	0.000	0.000
412	A	582	LYS	1	0.876	0.959	52.482	0.041	0.041	0.000	0.000	0.000	0.000
413	A	583	THR	0	0.003	0.012	54.779	0.002	0.002	0.000	0.000	0.000	0.000
414	A	584	ILE	0	-0.029	0.003	51.509	0.002	0.002	0.000	0.000	0.000	0.000
415	A	585	ILE	0	-0.027	-0.022	48.681	0.001	0.001	0.000	0.000	0.000	0.000
416	A	586	THR	0	-0.025	-0.036	52.700	0.001	0.001	0.000	0.000	0.000	0.000
417	A	587	SER	0	-0.045	-0.032	56.088	0.002	0.002	0.000	0.000	0.000	0.000
418	A	588	ASN	0	-0.043	-0.024	50.684	0.003	0.003	0.000	0.000	0.000	0.000
419	A	589	LYS	1	0.868	0.927	54.658	0.030	0.030	0.000	0.000	0.000	0.000
420	A	590	PHE	0	-0.034	-0.006	48.903	0.000	0.000	0.000	0.000	0.000	0.000
421	A	591	TYR	0	0.016	0.001	42.903	-0.001	-0.001	0.000	0.000	0.000	0.000
422	A	592	ASN	0	0.028	0.001	46.748	-0.001	-0.001	0.000	0.000	0.000	0.000
423	A	593	VAL	0	0.064	0.023	46.868	-0.002	-0.002	0.000	0.000	0.000	0.000
424	A	594	PHE	0	0.029	0.001	45.036	-0.003	-0.003	0.000	0.000	0.000	0.000
425	A	595	ASN	0	-0.007	0.024	43.094	-0.004	-0.004	0.000	0.000	0.000	0.000
426	A	596	ASN	0	-0.086	-0.052	39.141	-0.006	-0.006	0.000	0.000	0.000	0.000
427	A	597	LEU	0	-0.004	0.018	40.961	-0.002	-0.002	0.000	0.000	0.000	0.000
428	A	598	LYS	1	0.870	0.920	36.082	0.070	0.070	0.000	0.000	0.000	0.000
429	A	599	SER	0	0.057	0.038	36.628	-0.004	-0.004	0.000	0.000	0.000	0.000
430	A	600	TYR	0	0.040	0.007	37.466	0.009	0.009	0.000	0.000	0.000	0.000
431	A	601	SER	0	0.014	0.007	39.618	0.005	0.005	0.000	0.000	0.000	0.000
432	A	602	ASP	-1	-0.827	-0.901	40.519	-0.075	-0.075	0.000	0.000	0.000	0.000
433	A	603	ILE	0	-0.040	-0.018	41.788	0.005	0.005	0.000	0.000	0.000	0.000
434	A	604	ALA	0	0.054	0.023	44.845	0.004	0.004	0.000	0.000	0.000	0.000
435	A	605	ASN	0	-0.043	-0.024	44.603	0.005	0.005	0.000	0.000	0.000	0.000
436	A	606	MET	0	0.012	0.015	47.124	0.004	0.004	0.000	0.000	0.000	0.000
437	A	607	ASN	0	-0.017	-0.027	48.678	0.004	0.004	0.000	0.000	0.000	0.000
438	A	608	LYS	1	0.930	0.977	48.533	0.065	0.065	0.000	0.000	0.000	0.000
439	A	609	LEU	0	0.007	0.008	51.041	0.002	0.002	0.000	0.000	0.000	0.000
440	A	610	LEU	0	-0.023	-0.027	51.700	0.003	0.003	0.000	0.000	0.000	0.000
441	A	611	ASN	0	-0.047	-0.040	54.356	0.004	0.004	0.000	0.000	0.000	0.000
442	A	612	ASP	-1	-0.826	-0.876	56.294	-0.043	-0.043	0.000	0.000	0.000	0.000
443	A	613	SER	0	-0.005	-0.019	58.126	0.001	0.001	0.000	0.000	0.000	0.000
444	A	614	THR	0	-0.103	-0.064	59.779	0.001	0.001	0.000	0.000	0.000	0.000
445	A	615	VAL	0	-0.027	0.001	56.220	0.001	0.001	0.000	0.000	0.000	0.000
446	A	616	ALA	0	0.044	0.025	59.451	0.000	0.000	0.000	0.000	0.000	0.000
447	A	617	THR	0	-0.019	0.004	58.902	-0.001	-0.001	0.000	0.000	0.000	0.000
448	A	618	LYS	1	0.818	0.899	58.081	0.037	0.037	0.000	0.000	0.000	0.000
449	A	619	PRO	0	-0.005	-0.005	62.119	0.000	0.000	0.000	0.000	0.000	0.000
450	A	620	LEU	0	0.011	0.007	60.559	-0.001	-0.001	0.000	0.000	0.000	0.000
451	A	621	LYS	1	0.881	0.930	60.975	0.027	0.027	0.000	0.000	0.000	0.000
452	A	622	SER	0	-0.019	-0.018	60.865	-0.001	-0.001	0.000	0.000	0.000	0.000
453	A	623	ASN	0	-0.004	0.008	56.686	-0.001	-0.001	0.000	0.000	0.000	0.000
454	A	624	LEU	0	0.008	0.020	58.621	0.001	0.001	0.000	0.000	0.000	0.000
455	A	625	SER	0	0.004	0.002	54.203	-0.001	-0.001	0.000	0.000	0.000	0.000
456	A	626	THR	0	0.013	0.008	54.865	0.000	0.000	0.000	0.000	0.000	0.000
457	A	627	PHE	0	0.013	0.020	49.982	0.000	0.000	0.000	0.000	0.000	0.000
458	A	628	ASN	0	0.054	0.011	50.754	0.001	0.001	0.000	0.000	0.000	0.000
459	A	629	SER	0	-0.053	-0.046	48.233	0.001	0.001	0.000	0.000	0.000	0.000
460	A	630	MET	0	-0.044	0.001	45.624	-0.002	-0.002	0.000	0.000	0.000	0.000
461	A	631	ASP	-1	-0.761	-0.811	47.306	-0.018	-0.018	0.000	0.000	0.000	0.000
462	A	632	ARG	1	0.824	0.905	45.475	0.023	0.023	0.000	0.000	0.000	0.000
463	A	633	LEU	0	-0.014	0.000	50.951	0.000	0.000	0.000	0.000	0.000	0.000
464	A	634	ALA	0	0.044	0.027	52.419	0.000	0.000	0.000	0.000	0.000	0.000
465	A	635	TYR	0	-0.051	-0.053	54.460	0.000	0.000	0.000	0.000	0.000	0.000
466	A	636	TYR	0	-0.003	-0.025	57.409	0.000	0.000	0.000	0.000	0.000	0.000
467	A	637	ASN	0	-0.023	-0.016	59.448	0.000	0.000	0.000	0.000	0.000	0.000
468	A	638	ALA	0	0.082	0.027	63.186	0.000	0.000	0.000	0.000	0.000	0.000
469	A	639	LYS	1	0.934	0.973	64.305	0.017	0.017	0.000	0.000	0.000	0.000
470	A	640	LYS	1	0.852	0.922	65.779	0.016	0.016	0.000	0.000	0.000	0.000
471	A	641	ASP	-1	-0.784	-0.863	61.491	-0.022	-0.022	0.000	0.000	0.000	0.000
472	A	642	PHE	0	-0.015	-0.007	60.450	0.000	0.000	0.000	0.000	0.000	0.000
473	A	643	GLY	0	0.032	0.022	56.957	-0.001	-0.001	0.000	0.000	0.000	0.000
474	A	644	PHE	0	-0.022	-0.028	56.854	0.001	0.001	0.000	0.000	0.000	0.000
475	A	645	ALA	0	0.025	0.006	52.404	-0.002	-0.002	0.000	0.000	0.000	0.000
476	A	646	LEU	0	-0.015	-0.005	53.574	0.002	0.002	0.000	0.000	0.000	0.000
477	A	647	SER	0	-0.012	-0.010	48.509	-0.003	-0.003	0.000	0.000	0.000	0.000
478	A	648	LEU	0	-0.001	-0.002	50.575	0.002	0.002	0.000	0.000	0.000	0.000
479	A	649	HIS	0	-0.037	-0.038	47.362	0.000	0.000	0.000	0.000	0.000	0.000
480	A	650	SER	0	-0.009	-0.034	48.374	0.002	0.002	0.000	0.000	0.000	0.000
481	A	651	LYS	1	0.864	0.918	47.681	0.008	0.008	0.000	0.000	0.000	0.000
482	A	652	ARG	1	0.774	0.875	46.471	0.018	0.018	0.000	0.000	0.000	0.000
483	A	653	THR	0	-0.038	-0.046	44.146	-0.002	-0.002	0.000	0.000	0.000	0.000
484	A	654	LEU	0	-0.061	-0.028	38.892	0.003	0.003	0.000	0.000	0.000	0.000
485	A	655	ASN	0	-0.004	-0.002	43.131	-0.003	-0.003	0.000	0.000	0.000	0.000
486	A	656	TYR	0	-0.029	-0.020	39.958	-0.001	-0.001	0.000	0.000	0.000	0.000
487	A	657	GLU	-1	-0.716	-0.814	35.163	-0.034	-0.034	0.000	0.000	0.000	0.000
488	A	658	GLY	0	0.038	0.011	36.496	-0.001	-0.001	0.000	0.000	0.000	0.000
489	A	659	MET	0	-0.012	-0.002	31.332	0.001	0.001	0.000	0.000	0.000	0.000
490	A	660	ASN	0	0.011	-0.006	27.314	0.004	0.004	0.000	0.000	0.000	0.000
491	A	661	ASP	-1	-0.778	-0.883	29.660	0.012	0.012	0.000	0.000	0.000	0.000
492	A	662	GLU	-1	-0.788	-0.845	31.947	-0.041	-0.041	0.000	0.000	0.000	0.000
493	A	663	ASN	0	-0.005	-0.025	34.551	0.002	0.002	0.000	0.000	0.000	0.000
494	A	664	THR	0	-0.032	-0.019	35.745	0.001	0.001	0.000	0.000	0.000	0.000
495	A	665	ARG	1	0.910	0.944	38.347	-0.003	-0.003	0.000	0.000	0.000	0.000
496	A	666	GLY	0	0.038	0.033	41.333	0.000	0.000	0.000	0.000	0.000	0.000
497	A	667	TRP	0	-0.059	-0.034	41.688	-0.002	-0.002	0.000	0.000	0.000	0.000
498	A	668	TYR	0	0.041	0.033	44.549	0.001	0.001	0.000	0.000	0.000	0.000
499	A	669	THR	0	-0.054	-0.047	44.570	-0.001	-0.001	0.000	0.000	0.000	0.000
500	A	670	GLY	0	0.048	0.016	47.202	-0.002	-0.002	0.000	0.000	0.000	0.000
501	A	671	ASP	-1	-0.840	-0.899	48.344	-0.005	-0.005	0.000	0.000	0.000	0.000
502	A	672	GLY	0	0.038	-0.003	51.135	0.001	0.001	0.000	0.000	0.000	0.000
503	A	673	MET	0	-0.072	0.003	49.805	0.000	0.000	0.000	0.000	0.000	0.000
504	A	674	PHE	0	0.000	-0.013	52.948	-0.002	-0.002	0.000	0.000	0.000	0.000
505	A	675	TYR	0	-0.033	-0.018	48.319	0.000	0.000	0.000	0.000	0.000	0.000
506	A	676	ILE	0	0.003	-0.008	54.447	0.000	0.000	0.000	0.000	0.000	0.000
507	A	677	TYR	0	0.019	0.016	49.944	0.000	0.000	0.000	0.000	0.000	0.000
508	A	678	ASN	0	0.045	0.013	56.514	-0.001	-0.001	0.000	0.000	0.000	0.000
509	A	679	SER	0	-0.006	-0.042	58.360	-0.001	-0.001	0.000	0.000	0.000	0.000
510	A	680	ASP	-1	-0.797	-0.868	55.951	-0.019	-0.019	0.000	0.000	0.000	0.000
511	A	681	GLN	0	-0.002	-0.019	53.673	0.000	0.000	0.000	0.000	0.000	0.000
512	A	682	SER	0	-0.064	-0.042	51.806	-0.001	-0.001	0.000	0.000	0.000	0.000
513	A	683	HIS	0	0.027	0.029	51.522	0.001	0.001	0.000	0.000	0.000	0.000
514	A	684	TYR	0	0.036	0.008	48.686	0.001	0.001	0.000	0.000	0.000	0.000
515	A	685	SER	0	0.028	0.021	47.057	-0.002	-0.002	0.000	0.000	0.000	0.000
516	A	686	ASN	0	0.004	-0.020	48.028	0.002	0.002	0.000	0.000	0.000	0.000
517	A	687	HIS	0	0.086	0.059	43.858	0.001	0.001	0.000	0.000	0.000	0.000
518	A	688	PHE	0	0.053	0.051	46.884	0.002	0.002	0.000	0.000	0.000	0.000
519	A	689	TRP	0	0.024	-0.005	43.710	0.003	0.003	0.000	0.000	0.000	0.000
520	A	690	PRO	0	-0.056	-0.020	42.631	0.002	0.002	0.000	0.000	0.000	0.000
521	A	691	THR	0	-0.054	-0.037	44.494	0.002	0.002	0.000	0.000	0.000	0.000
522	A	692	VAL	0	-0.026	0.008	47.638	0.001	0.001	0.000	0.000	0.000	0.000
523	A	693	ASN	0	-0.030	-0.038	48.583	0.002	0.002	0.000	0.000	0.000	0.000
524	A	694	PRO	0	0.015	0.004	46.187	-0.001	-0.001	0.000	0.000	0.000	0.000
525	A	695	TYR	0	0.007	-0.009	47.112	0.000	0.000	0.000	0.000	0.000	0.000
526	A	696	LYS	1	0.858	0.931	51.036	0.000	0.000	0.000	0.000	0.000	0.000
527	A	697	MET	0	0.042	0.045	48.779	-0.001	-0.001	0.000	0.000	0.000	0.000
528	A	698	ALA	0	0.024	0.027	52.400	0.001	0.001	0.000	0.000	0.000	0.000
529	A	699	GLY	0	0.035	0.023	54.712	-0.001	-0.001	0.000	0.000	0.000	0.000
530	A	700	THR	0	-0.052	-0.023	51.519	0.001	0.001	0.000	0.000	0.000	0.000
531	A	701	THR	0	0.018	-0.005	54.836	0.000	0.000	0.000	0.000	0.000	0.000
532	A	702	GLH	0	-0.056	-0.058	51.000	0.001	0.001	0.000	0.000	0.000	0.000
533	A	703	LYS	1	0.825	0.902	53.409	-0.009	-0.009	0.000	0.000	0.000	0.000
534	A	704	ASP	-1	-0.823	-0.900	53.102	0.009	0.009	0.000	0.000	0.000	0.000
535	A	705	ALA	0	-0.016	0.005	51.019	0.001	0.001	0.000	0.000	0.000	0.000
536	A	706	LYS	1	0.838	0.894	43.714	-0.022	-0.022	0.000	0.000	0.000	0.000
537	A	707	ARG	1	0.898	0.960	43.550	-0.007	-0.007	0.000	0.000	0.000	0.000
538	A	708	GLU	-1	-0.810	-0.884	40.312	0.024	0.024	0.000	0.000	0.000	0.000
539	A	709	ASP	-1	-0.742	-0.845	37.776	0.009	0.009	0.000	0.000	0.000	0.000
540	A	710	THR	0	-0.027	-0.022	36.354	0.005	0.005	0.000	0.000	0.000	0.000
541	A	711	THR	0	0.001	-0.011	33.015	-0.002	-0.002	0.000	0.000	0.000	0.000
542	A	712	LYS	1	0.873	0.922	25.356	0.002	0.002	0.000	0.000	0.000	0.000
543	A	713	GLU	-1	-0.788	-0.865	30.199	0.055	0.055	0.000	0.000	0.000	0.000
544	A	714	PHE	0	0.093	0.048	31.182	0.005	0.005	0.000	0.000	0.000	0.000
545	A	715	MET	0	-0.051	-0.022	32.087	0.000	0.000	0.000	0.000	0.000	0.000
546	A	716	SER	0	-0.044	-0.025	28.558	0.004	0.004	0.000	0.000	0.000	0.000
547	A	717	LYS	1	0.812	0.885	30.392	-0.049	-0.049	0.000	0.000	0.000	0.000
548	A	718	HIS	1	0.849	0.923	33.175	-0.035	-0.035	0.000	0.000	0.000	0.000
549	A	719	SER	0	0.025	0.014	29.844	-0.007	-0.007	0.000	0.000	0.000	0.000
550	A	720	LYS	1	0.947	0.977	31.717	-0.050	-0.050	0.000	0.000	0.000	0.000
551	A	721	ASP	-1	-0.783	-0.890	34.407	0.026	0.026	0.000	0.000	0.000	0.000
552	A	722	ALA	0	0.019	0.019	33.707	-0.002	-0.002	0.000	0.000	0.000	0.000
553	A	723	LYS	1	0.881	0.967	35.156	0.010	0.010	0.000	0.000	0.000	0.000
554	A	724	GLU	-1	-0.806	-0.875	37.708	0.017	0.017	0.000	0.000	0.000	0.000
555	A	725	LYS	1	0.826	0.877	38.728	-0.024	-0.024	0.000	0.000	0.000	0.000
556	A	726	THR	0	-0.031	-0.022	36.691	-0.001	-0.001	0.000	0.000	0.000	0.000
557	A	727	GLY	0	-0.016	-0.007	39.954	-0.002	-0.002	0.000	0.000	0.000	0.000
558	A	728	GLN	0	-0.017	-0.005	35.935	-0.006	-0.006	0.000	0.000	0.000	0.000
559	A	729	VAL	0	0.028	-0.008	40.579	0.000	0.000	0.000	0.000	0.000	0.000
560	A	730	THR	0	0.032	0.028	42.953	-0.002	-0.002	0.000	0.000	0.000	0.000
561	A	731	GLY	0	-0.003	0.015	45.346	0.002	0.002	0.000	0.000	0.000	0.000
562	A	732	THR	0	0.021	-0.008	49.166	0.000	0.000	0.000	0.000	0.000	0.000
563	A	733	SER	0	-0.001	0.009	50.954	0.000	0.000	0.000	0.000	0.000	0.000
564	A	734	ASP	-1	-0.794	-0.900	53.020	-0.010	-0.010	0.000	0.000	0.000	0.000
565	A	735	PHE	0	-0.029	-0.008	55.032	-0.001	-0.001	0.000	0.000	0.000	0.000
566	A	736	VAL	0	-0.020	-0.012	52.644	0.001	0.001	0.000	0.000	0.000	0.000
567	A	737	GLY	0	0.017	0.019	55.136	-0.001	-0.001	0.000	0.000	0.000	0.000
568	A	738	SER	0	-0.039	-0.036	56.031	0.001	0.001	0.000	0.000	0.000	0.000
569	A	739	VAL	0	0.037	0.021	58.348	-0.001	-0.001	0.000	0.000	0.000	0.000
570	A	740	LYS	1	0.843	0.903	59.622	0.025	0.025	0.000	0.000	0.000	0.000
571	A	741	LEU	0	0.005	0.016	62.798	0.000	0.000	0.000	0.000	0.000	0.000
572	A	742	ASN	0	0.047	0.005	65.547	-0.001	-0.001	0.000	0.000	0.000	0.000
573	A	743	ASP	-1	-0.797	-0.917	61.348	-0.025	-0.025	0.000	0.000	0.000	0.000
574	A	744	HIS	0	0.000	0.021	63.368	-0.001	-0.001	0.000	0.000	0.000	0.000
575	A	745	PHE	0	0.004	0.008	65.390	0.001	0.001	0.000	0.000	0.000	0.000
576	A	746	ALA	0	0.016	-0.004	61.485	-0.001	-0.001	0.000	0.000	0.000	0.000
577	A	747	LEU	0	-0.022	0.013	62.518	0.001	0.001	0.000	0.000	0.000	0.000
578	A	748	ALA	0	-0.001	-0.010	58.072	-0.001	-0.001	0.000	0.000	0.000	0.000
579	A	749	ALA	0	0.039	0.018	58.824	0.001	0.001	0.000	0.000	0.000	0.000
580	A	750	MET	0	-0.065	-0.023	51.549	-0.002	-0.002	0.000	0.000	0.000	0.000
581	A	751	ASP	-1	-0.825	-0.890	56.786	-0.005	-0.005	0.000	0.000	0.000	0.000
582	A	752	PHE	0	-0.018	-0.014	51.123	0.000	0.000	0.000	0.000	0.000	0.000
583	A	753	THR	0	-0.062	-0.053	51.874	0.001	0.001	0.000	0.000	0.000	0.000
584	A	754	ASN	0	0.032	0.014	50.773	-0.001	-0.001	0.000	0.000	0.000	0.000
585	A	755	TRP	0	-0.008	-0.007	43.579	0.000	0.000	0.000	0.000	0.000	0.000
586	A	756	ASP	-1	-0.792	-0.843	47.199	0.009	0.009	0.000	0.000	0.000	0.000
587	A	757	ARG	1	0.903	0.934	48.677	-0.002	-0.002	0.000	0.000	0.000	0.000
588	A	758	THR	0	-0.073	-0.048	51.681	0.000	0.000	0.000	0.000	0.000	0.000
589	A	759	LEU	0	-0.017	-0.003	54.108	0.000	0.000	0.000	0.000	0.000	0.000
590	A	760	THR	0	-0.034	-0.018	54.853	0.000	0.000	0.000	0.000	0.000	0.000
591	A	761	ALA	0	0.014	0.006	57.341	0.001	0.001	0.000	0.000	0.000	0.000
592	A	762	GLN	0	0.005	0.033	58.614	0.000	0.000	0.000	0.000	0.000	0.000
593	A	763	LYS	1	0.824	0.897	55.924	0.006	0.006	0.000	0.000	0.000	0.000
594	A	764	GLY	0	0.022	0.008	60.106	-0.001	-0.001	0.000	0.000	0.000	0.000
595	A	765	TRP	0	-0.005	0.003	56.341	0.000	0.000	0.000	0.000	0.000	0.000
596	A	766	VAL	0	0.009	-0.003	62.144	0.000	0.000	0.000	0.000	0.000	0.000
597	A	767	ILE	0	-0.056	-0.002	59.825	0.000	0.000	0.000	0.000	0.000	0.000
598	A	768	LEU	0	0.045	0.007	64.457	0.000	0.000	0.000	0.000	0.000	0.000
599	A	769	ASN	0	-0.003	-0.012	66.858	0.000	0.000	0.000	0.000	0.000	0.000
600	A	770	ASP	-1	-0.822	-0.886	65.965	-0.014	-0.014	0.000	0.000	0.000	0.000
601	A	771	LYS	1	0.827	0.920	67.555	0.013	0.013	0.000	0.000	0.000	0.000
602	A	772	ILE	0	0.001	0.000	61.354	-0.001	-0.001	0.000	0.000	0.000	0.000
603	A	773	VAL	0	0.006	0.001	64.785	0.001	0.001	0.000	0.000	0.000	0.000
604	A	774	PHE	0	-0.019	-0.010	59.069	-0.001	-0.001	0.000	0.000	0.000	0.000
605	A	775	LEU	0	0.025	0.002	63.549	0.001	0.001	0.000	0.000	0.000	0.000
606	A	776	GLY	0	0.033	0.012	62.742	-0.001	-0.001	0.000	0.000	0.000	0.000
607	A	777	SER	0	0.027	0.025	63.636	0.000	0.000	0.000	0.000	0.000	0.000
608	A	778	ASN	0	0.015	0.000	63.328	0.000	0.000	0.000	0.000	0.000	0.000
609	A	779	ILE	0	-0.070	-0.018	60.233	0.000	0.000	0.000	0.000	0.000	0.000
610	A	780	LYS	1	0.959	0.982	60.431	-0.003	-0.003	0.000	0.000	0.000	0.000
611	A	781	ASN	0	0.042	0.003	58.632	0.000	0.000	0.000	0.000	0.000	0.000
612	A	782	THR	0	-0.061	-0.030	56.259	0.001	0.001	0.000	0.000	0.000	0.000
613	A	783	ASN	0	0.055	0.013	54.723	0.000	0.000	0.000	0.000	0.000	0.000
614	A	784	GLY	0	-0.004	0.007	58.562	0.001	0.001	0.000	0.000	0.000	0.000
615	A	785	ILE	0	0.007	0.019	55.300	0.000	0.000	0.000	0.000	0.000	0.000
616	A	786	GLY	0	0.012	0.020	56.395	-0.001	-0.001	0.000	0.000	0.000	0.000
617	A	787	ASN	0	-0.073	-0.058	57.359	-0.001	-0.001	0.000	0.000	0.000	0.000
618	A	788	VAL	0	0.010	0.003	57.816	0.000	0.000	0.000	0.000	0.000	0.000
619	A	789	SER	0	-0.031	-0.015	57.940	0.000	0.000	0.000	0.000	0.000	0.000
620	A	790	THR	0	0.004	0.004	58.064	0.000	0.000	0.000	0.000	0.000	0.000
621	A	791	THR	0	-0.023	0.000	56.114	0.001	0.001	0.000	0.000	0.000	0.000
622	A	792	ILE	0	-0.016	0.001	58.574	-0.001	-0.001	0.000	0.000	0.000	0.000
623	A	793	ASP	-1	-0.780	-0.891	57.990	-0.012	-0.012	0.000	0.000	0.000	0.000
624	A	794	GLN	0	-0.039	-0.028	52.441	0.002	0.002	0.000	0.000	0.000	0.000
625	A	795	ARG	1	0.870	0.961	55.415	0.014	0.014	0.000	0.000	0.000	0.000
626	A	796	LYS	1	0.840	0.926	51.021	0.018	0.018	0.000	0.000	0.000	0.000
627	A	797	ASP	-1	-0.794	-0.898	56.067	-0.009	-0.009	0.000	0.000	0.000	0.000
628	A	798	ASP	-1	-0.751	-0.853	57.877	-0.016	-0.016	0.000	0.000	0.000	0.000
629	A	799	SER	0	0.006	-0.014	57.556	0.000	0.000	0.000	0.000	0.000	0.000
630	A	800	LYS	1	0.857	0.921	57.916	0.017	0.017	0.000	0.000	0.000	0.000
631	A	801	THR	0	-0.066	-0.035	61.924	0.000	0.000	0.000	0.000	0.000	0.000
632	A	802	PRO	0	0.011	0.032	62.940	0.000	0.000	0.000	0.000	0.000	0.000
633	A	803	TYR	0	-0.053	-0.057	60.434	0.000	0.000	0.000	0.000	0.000	0.000
634	A	804	THR	0	-0.041	-0.010	65.233	0.001	0.001	0.000	0.000	0.000	0.000
635	A	805	THR	0	0.006	-0.004	66.566	0.000	0.000	0.000	0.000	0.000	0.000
636	A	806	TYR	0	-0.076	-0.070	68.811	0.001	0.001	0.000	0.000	0.000	0.000
637	A	807	VAL	0	0.025	0.005	70.362	0.000	0.000	0.000	0.000	0.000	0.000
638	A	808	ASN	0	0.002	-0.008	72.842	0.000	0.000	0.000	0.000	0.000	0.000
639	A	809	GLY	0	0.059	0.042	75.339	0.000	0.000	0.000	0.000	0.000	0.000
640	A	810	LYS	1	0.879	0.935	76.102	0.004	0.004	0.000	0.000	0.000	0.000
641	A	811	THR	0	0.036	0.020	73.379	0.000	0.000	0.000	0.000	0.000	0.000
642	A	812	ILE	0	-0.026	-0.005	68.396	0.001	0.001	0.000	0.000	0.000	0.000
643	A	813	ASP	-1	-0.826	-0.912	70.510	-0.003	-0.003	0.000	0.000	0.000	0.000
644	A	814	LEU	0	-0.026	-0.001	64.518	0.001	0.001	0.000	0.000	0.000	0.000
645	A	815	LYS	1	0.829	0.903	66.051	0.001	0.001	0.000	0.000	0.000	0.000
646	A	816	GLN	0	0.016	0.014	60.655	0.000	0.000	0.000	0.000	0.000	0.000
647	A	817	ALA	0	-0.023	-0.017	60.695	-0.001	-0.001	0.000	0.000	0.000	0.000
648	A	818	SER	0	-0.037	-0.036	62.552	0.001	0.001	0.000	0.000	0.000	0.000
649	A	819	SER	0	-0.003	-0.021	61.748	-0.001	-0.001	0.000	0.000	0.000	0.000
650	A	820	GLN	0	0.025	0.032	64.244	0.001	0.001	0.000	0.000	0.000	0.000
651	A	821	GLN	0	0.061	0.048	67.303	0.000	0.000	0.000	0.000	0.000	0.000
652	A	822	PHE	0	0.007	-0.007	68.646	0.000	0.000	0.000	0.000	0.000	0.000
653	A	823	THR	0	0.019	0.002	71.342	0.000	0.000	0.000	0.000	0.000	0.000
654	A	824	ASP	-1	-0.847	-0.910	73.580	-0.001	-0.001	0.000	0.000	0.000	0.000
655	A	825	THR	0	-0.040	0.000	70.103	-0.001	-0.001	0.000	0.000	0.000	0.000
656	A	826	LYS	1	0.892	0.948	73.310	0.003	0.003	0.000	0.000	0.000	0.000
657	A	827	SER	0	0.000	-0.002	71.994	0.000	0.000	0.000	0.000	0.000	0.000
658	A	828	VAL	0	0.040	0.021	67.065	0.001	0.001	0.000	0.000	0.000	0.000
659	A	829	PHE	0	-0.046	-0.019	68.686	-0.001	-0.001	0.000	0.000	0.000	0.000
660	A	830	LEU	0	0.024	0.026	62.762	0.001	0.001	0.000	0.000	0.000	0.000
661	A	831	GLU	-1	-0.775	-0.859	66.790	-0.010	-0.010	0.000	0.000	0.000	0.000
662	A	832	SER	0	-0.003	-0.020	64.985	0.000	0.000	0.000	0.000	0.000	0.000
663	A	833	LYS	1	0.940	0.960	67.362	0.010	0.010	0.000	0.000	0.000	0.000
664	A	834	GLU	-1	-0.804	-0.883	62.389	-0.018	-0.018	0.000	0.000	0.000	0.000
665	A	835	PRO	0	0.032	0.013	66.064	0.000	0.000	0.000	0.000	0.000	0.000
666	A	836	GLY	0	0.005	0.027	64.529	-0.001	-0.001	0.000	0.000	0.000	0.000
667	A	837	ARG	1	0.826	0.893	60.095	0.017	0.017	0.000	0.000	0.000	0.000
668	A	838	ASN	0	-0.019	0.001	63.598	0.000	0.000	0.000	0.000	0.000	0.000
669	A	839	ILE	0	-0.005	-0.001	60.920	-0.001	-0.001	0.000	0.000	0.000	0.000
670	A	840	GLY	0	0.007	0.018	65.533	0.001	0.001	0.000	0.000	0.000	0.000
671	A	841	TYR	0	-0.057	-0.074	61.507	0.000	0.000	0.000	0.000	0.000	0.000
672	A	842	ILE	0	0.026	0.012	67.850	0.001	0.001	0.000	0.000	0.000	0.000
673	A	843	PHE	0	0.012	-0.009	66.587	0.000	0.000	0.000	0.000	0.000	0.000
674	A	844	PHE	0	0.012	0.006	69.483	0.000	0.000	0.000	0.000	0.000	0.000
675	A	845	LYS	1	0.926	0.963	73.054	0.004	0.004	0.000	0.000	0.000	0.000
676	A	846	ASN	0	0.001	-0.011	73.380	-0.001	-0.001	0.000	0.000	0.000	0.000
677	A	847	SER	0	-0.011	-0.001	69.745	0.000	0.000	0.000	0.000	0.000	0.000
678	A	848	THR	0	-0.023	-0.018	69.081	0.000	0.000	0.000	0.000	0.000	0.000
679	A	849	ILE	0	-0.036	-0.010	65.749	0.000	0.000	0.000	0.000	0.000	0.000
680	A	850	ASP	-1	-0.833	-0.903	63.596	0.002	0.002	0.000	0.000	0.000	0.000
681	A	851	ILE	0	-0.007	-0.015	63.795	-0.001	-0.001	0.000	0.000	0.000	0.000
682	A	852	GLU	-1	-0.758	-0.856	58.749	0.002	0.002	0.000	0.000	0.000	0.000
683	A	853	ARG	1	0.828	0.919	60.181	0.005	0.005	0.000	0.000	0.000	0.000
684	A	854	LYS	1	0.862	0.914	55.991	0.000	0.000	0.000	0.000	0.000	0.000
685	A	855	GLU	-1	-0.809	-0.881	54.124	-0.007	-0.007	0.000	0.000	0.000	0.000
686	A	856	GLN	0	-0.057	-0.021	51.702	0.003	0.003	0.000	0.000	0.000	0.000
687	A	857	THR	0	0.036	-0.004	48.741	-0.001	-0.001	0.000	0.000	0.000	0.000
688	A	858	GLY	0	0.013	0.017	45.358	0.001	0.001	0.000	0.000	0.000	0.000
689	A	859	THR	0	0.014	0.009	40.386	-0.001	-0.001	0.000	0.000	0.000	0.000
690	A	860	TRP	0	0.052	-0.003	38.699	0.000	0.000	0.000	0.000	0.000	0.000
691	A	861	ASN	0	-0.018	-0.002	33.782	0.003	0.003	0.000	0.000	0.000	0.000
692	A	862	SER	0	-0.029	-0.020	36.828	0.002	0.002	0.000	0.000	0.000	0.000
693	A	863	ILE	0	-0.016	0.019	39.128	0.002	0.002	0.000	0.000	0.000	0.000
694	A	864	ASN	0	-0.029	-0.030	33.723	-0.001	-0.001	0.000	0.000	0.000	0.000
695	A	865	ARG	1	0.787	0.885	31.987	-0.013	-0.013	0.000	0.000	0.000	0.000
696	A	866	THR	0	0.003	0.012	28.799	0.003	0.003	0.000	0.000	0.000	0.000
697	A	867	SER	0	-0.020	0.004	30.891	-0.005	-0.005	0.000	0.000	0.000	0.000
698	A	868	LYS	1	0.996	0.987	30.113	0.042	0.042	0.000	0.000	0.000	0.000
699	A	869	ASN	0	-0.008	-0.008	33.541	0.005	0.005	0.000	0.000	0.000	0.000
700	A	870	THR	0	0.002	-0.011	36.191	-0.001	-0.001	0.000	0.000	0.000	0.000
701	A	871	SER	0	0.004	-0.003	38.868	0.003	0.003	0.000	0.000	0.000	0.000
702	A	872	ILE	0	-0.038	-0.019	42.168	-0.001	-0.001	0.000	0.000	0.000	0.000
703	A	873	VAL	0	-0.034	-0.005	44.691	-0.002	-0.002	0.000	0.000	0.000	0.000
704	A	874	SER	0	-0.045	-0.075	47.150	0.002	0.002	0.000	0.000	0.000	0.000
705	A	875	ASN	0	-0.031	-0.014	50.007	-0.003	-0.003	0.000	0.000	0.000	0.000
706	A	876	PRO	0	-0.002	0.028	52.975	0.002	0.002	0.000	0.000	0.000	0.000
707	A	877	PHE	0	-0.006	-0.009	51.011	-0.001	-0.001	0.000	0.000	0.000	0.000
708	A	878	ILE	0	-0.006	-0.008	57.059	0.001	0.001	0.000	0.000	0.000	0.000
709	A	879	THR	0	-0.062	-0.029	57.674	-0.001	-0.001	0.000	0.000	0.000	0.000
710	A	880	ILE	0	0.007	0.012	59.584	0.001	0.001	0.000	0.000	0.000	0.000
711	A	881	SER	0	-0.035	-0.029	59.810	0.000	0.000	0.000	0.000	0.000	0.000
712	A	882	GLN	0	0.041	0.024	61.850	0.000	0.000	0.000	0.000	0.000	0.000
713	A	883	LYS	1	0.850	0.906	62.340	-0.003	-0.003	0.000	0.000	0.000	0.000
714	A	884	HIS	0	-0.055	-0.039	61.619	-0.001	-0.001	0.000	0.000	0.000	0.000
715	A	885	ASP	-1	-0.824	-0.922	63.498	0.005	0.005	0.000	0.000	0.000	0.000
716	A	886	ASN	0	-0.008	-0.013	64.491	-0.001	-0.001	0.000	0.000	0.000	0.000
717	A	887	LYS	1	0.891	0.959	66.887	-0.004	-0.004	0.000	0.000	0.000	0.000
718	A	888	GLY	0	0.035	0.025	68.367	-0.001	-0.001	0.000	0.000	0.000	0.000
719	A	889	ASP	-1	-0.823	-0.898	65.513	0.000	0.000	0.000	0.000	0.000	0.000
720	A	890	SER	0	-0.008	-0.031	65.250	-0.001	-0.001	0.000	0.000	0.000	0.000
721	A	891	TYR	0	-0.056	-0.024	60.685	0.000	0.000	0.000	0.000	0.000	0.000
722	A	892	GLY	0	0.061	0.021	66.456	0.000	0.000	0.000	0.000	0.000	0.000
723	A	893	TYR	0	-0.055	-0.015	61.265	0.000	0.000	0.000	0.000	0.000	0.000
724	A	894	MET	0	0.013	0.008	66.959	-0.001	-0.001	0.000	0.000	0.000	0.000
725	A	895	MET	0	-0.015	0.017	60.343	0.000	0.000	0.000	0.000	0.000	0.000
726	A	896	VAL	0	-0.016	-0.022	65.800	-0.001	-0.001	0.000	0.000	0.000	0.000
727	A	897	PRO	0	0.017	0.021	63.301	0.000	0.000	0.000	0.000	0.000	0.000
728	A	898	ASN	0	-0.027	-0.024	63.115	0.000	0.000	0.000	0.000	0.000	0.000
729	A	899	ILE	0	-0.015	0.005	66.877	0.000	0.000	0.000	0.000	0.000	0.000
730	A	900	ASP	-1	-0.741	-0.815	70.515	-0.011	-0.011	0.000	0.000	0.000	0.000
731	A	901	ARG	1	0.929	0.945	73.218	0.008	0.008	0.000	0.000	0.000	0.000
732	A	902	THR	0	0.026	-0.006	74.346	0.000	0.000	0.000	0.000	0.000	0.000
733	A	903	SER	0	-0.087	-0.066	75.388	0.000	0.000	0.000	0.000	0.000	0.000
734	A	904	PHE	0	0.000	0.012	70.318	0.000	0.000	0.000	0.000	0.000	0.000
735	A	905	ASP	-1	-0.833	-0.935	74.473	-0.007	-0.007	0.000	0.000	0.000	0.000
736	A	906	LYS	1	0.851	0.920	77.127	0.009	0.009	0.000	0.000	0.000	0.000
737	A	907	LEU	0	0.005	0.004	72.711	0.000	0.000	0.000	0.000	0.000	0.000
738	A	908	ALA	0	0.004	0.007	74.768	0.000	0.000	0.000	0.000	0.000	0.000
739	A	909	ASN	0	-0.088	-0.042	76.196	0.001	0.001	0.000	0.000	0.000	0.000
740	A	910	SER	0	-0.065	-0.030	77.727	0.000	0.000	0.000	0.000	0.000	0.000
741	A	911	LYS	1	0.853	0.896	79.239	0.006	0.006	0.000	0.000	0.000	0.000
742	A	912	GLU	-1	-0.805	-0.879	76.474	-0.010	-0.010	0.000	0.000	0.000	0.000
743	A	913	VAL	0	-0.024	-0.017	71.617	0.000	0.000	0.000	0.000	0.000	0.000
744	A	914	GLU	-1	-0.822	-0.892	75.061	-0.006	-0.006	0.000	0.000	0.000	0.000
745	A	915	LEU	0	-0.035	-0.014	70.116	0.000	0.000	0.000	0.000	0.000	0.000
746	A	916	LEU	0	-0.031	-0.012	73.508	0.001	0.001	0.000	0.000	0.000	0.000
747	A	917	GLU	-1	-0.810	-0.863	72.789	-0.004	-0.004	0.000	0.000	0.000	0.000
748	A	918	ASN	0	-0.028	-0.033	67.455	-0.001	-0.001	0.000	0.000	0.000	0.000
749	A	919	SER	0	-0.013	-0.034	69.938	0.001	0.001	0.000	0.000	0.000	0.000
750	A	920	SER	0	0.056	0.022	67.073	0.000	0.000	0.000	0.000	0.000	0.000
751	A	921	LYS	1	0.764	0.910	67.140	0.004	0.004	0.000	0.000	0.000	0.000
752	A	922	GLN	0	0.011	-0.008	68.168	-0.001	-0.001	0.000	0.000	0.000	0.000
753	A	923	GLN	0	0.002	0.019	65.530	0.001	0.001	0.000	0.000	0.000	0.000
754	A	924	VAL	0	-0.029	-0.022	68.911	-0.001	-0.001	0.000	0.000	0.000	0.000
755	A	925	ILE	0	0.006	0.000	69.065	0.000	0.000	0.000	0.000	0.000	0.000
756	A	926	TYR	0	0.020	0.005	72.027	0.000	0.000	0.000	0.000	0.000	0.000
757	A	927	ASP	-1	-0.771	-0.873	72.617	-0.012	-0.012	0.000	0.000	0.000	0.000
758	A	928	LYS	1	0.891	0.921	74.688	0.009	0.009	0.000	0.000	0.000	0.000
759	A	929	ASN	0	-0.143	-0.073	75.597	-0.001	-0.001	0.000	0.000	0.000	0.000
760	A	930	SER	0	-0.053	-0.034	73.137	0.000	0.000	0.000	0.000	0.000	0.000
761	A	931	GLN	0	-0.026	-0.007	75.551	0.000	0.000	0.000	0.000	0.000	0.000
762	A	932	THR	0	0.010	-0.005	70.594	0.000	0.000	0.000	0.000	0.000	0.000
763	A	933	TRP	0	0.006	0.003	73.395	0.001	0.001	0.000	0.000	0.000	0.000
764	A	934	ALA	0	-0.015	-0.015	67.988	-0.001	-0.001	0.000	0.000	0.000	0.000
765	A	935	VAL	0	-0.001	-0.002	68.848	0.001	0.001	0.000	0.000	0.000	0.000
766	A	936	ILE	0	0.000	0.007	63.200	-0.001	-0.001	0.000	0.000	0.000	0.000
767	A	937	LYS	1	0.780	0.900	66.304	0.007	0.007	0.000	0.000	0.000	0.000
768	A	938	HIS	0	-0.005	-0.014	62.130	-0.001	-0.001	0.000	0.000	0.000	0.000
769	A	939	ASP	-1	-0.776	-0.897	64.965	-0.005	-0.005	0.000	0.000	0.000	0.000
770	A	940	ASN	0	0.012	-0.010	66.865	-0.001	-0.001	0.000	0.000	0.000	0.000
771	A	941	GLN	0	0.014	0.025	69.594	0.000	0.000	0.000	0.000	0.000	0.000
772	A	942	GLU	-1	-0.821	-0.921	73.048	-0.007	-0.007	0.000	0.000	0.000	0.000
773	A	943	SER	0	-0.031	-0.034	73.339	0.001	0.001	0.000	0.000	0.000	0.000
774	A	944	LEU	0	0.010	0.009	76.021	0.000	0.000	0.000	0.000	0.000	0.000
775	A	945	ILE	0	0.041	0.024	73.810	0.000	0.000	0.000	0.000	0.000	0.000
776	A	946	ASN	0	-0.001	-0.020	77.455	0.000	0.000	0.000	0.000	0.000	0.000
777	A	947	ASN	0	-0.055	-0.024	80.537	0.000	0.000	0.000	0.000	0.000	0.000
778	A	948	GLN	0	-0.009	0.007	80.095	0.000	0.000	0.000	0.000	0.000	0.000
779	A	949	PHE	0	-0.024	-0.007	76.003	0.000	0.000	0.000	0.000	0.000	0.000
780	A	950	LYS	1	0.949	0.979	76.878	0.007	0.007	0.000	0.000	0.000	0.000
781	A	951	MET	0	-0.004	-0.004	71.875	-0.001	-0.001	0.000	0.000	0.000	0.000
782	A	952	ASN	0	-0.035	-0.028	72.604	0.000	0.000	0.000	0.000	0.000	0.000
783	A	953	LYS	1	0.958	0.984	67.449	0.010	0.010	0.000	0.000	0.000	0.000
784	A	954	ALA	0	0.068	0.059	64.120	0.000	0.000	0.000	0.000	0.000	0.000
785	A	955	GLY	0	-0.030	-0.016	63.048	-0.001	-0.001	0.000	0.000	0.000	0.000
786	A	956	LEU	0	-0.047	-0.008	60.157	0.001	0.001	0.000	0.000	0.000	0.000
787	A	957	TYR	0	-0.011	-0.036	64.666	-0.001	-0.001	0.000	0.000	0.000	0.000
788	A	958	LEU	0	-0.029	-0.007	65.144	0.000	0.000	0.000	0.000	0.000	0.000
789	A	959	VAL	0	0.007	-0.003	69.101	0.000	0.000	0.000	0.000	0.000	0.000
790	A	960	GLN	0	-0.024	-0.016	71.534	0.000	0.000	0.000	0.000	0.000	0.000
791	A	961	LYS	1	0.854	0.934	74.435	0.011	0.011	0.000	0.000	0.000	0.000
792	A	962	VAL	0	-0.002	0.001	76.273	0.000	0.000	0.000	0.000	0.000	0.000
793	A	963	GLY	0	0.065	0.042	78.562	0.000	0.000	0.000	0.000	0.000	0.000
794	A	964	ASN	0	-0.087	-0.052	81.956	0.000	0.000	0.000	0.000	0.000	0.000
795	A	965	ASP	-1	-0.861	-0.925	79.317	-0.013	-0.013	0.000	0.000	0.000	0.000
796	A	966	TYR	0	0.039	0.002	76.448	0.000	0.000	0.000	0.000	0.000	0.000
797	A	967	GLN	0	0.035	0.054	69.573	0.000	0.000	0.000	0.000	0.000	0.000
798	A	968	ASN	0	-0.049	-0.048	70.874	0.000	0.000	0.000	0.000	0.000	0.000
799	A	969	VAL	0	-0.008	0.001	65.508	-0.001	-0.001	0.000	0.000	0.000	0.000
800	A	970	TYR	0	-0.003	-0.002	65.109	0.001	0.001	0.000	0.000	0.000	0.000
801	A	971	TYR	0	0.005	-0.010	55.936	-0.001	-0.001	0.000	0.000	0.000	0.000
802	A	972	GLN	0	0.035	0.026	60.913	0.001	0.001	0.000	0.000	0.000	0.000
803	A	973	PRO	0	-0.044	-0.025	57.292	-0.001	-0.001	0.000	0.000	0.000	0.000
804	A	974	GLN	0	0.002	0.000	55.844	-0.002	-0.002	0.000	0.000	0.000	0.000
805	A	975	THR	0	0.023	0.004	55.364	-0.001	-0.001	0.000	0.000	0.000	0.000
806	A	976	MET	0	-0.033	-0.004	51.334	-0.001	-0.001	0.000	0.000	0.000	0.000
807	A	977	THR	0	0.008	0.025	56.550	-0.001	-0.001	0.000	0.000	0.000	0.000
808	A	978	LYS	1	0.821	0.888	59.848	0.021	0.021	0.000	0.000	0.000	0.000
809	A	979	THR	0	-0.051	-0.036	62.022	0.000	0.000	0.000	0.000	0.000	0.000
810	A	980	ASP	-1	-0.792	-0.883	65.198	-0.019	-0.019	0.000	0.000	0.000	0.000
811	A	981	GLN	0	0.008	-0.008	67.860	0.000	0.000	0.000	0.000	0.000	0.000
812	A	982	LEU	0	-0.016	0.015	68.894	0.000	0.000	0.000	0.000	0.000	0.000
813	A	983	ALA	0	0.021	0.005	71.210	0.000	0.000	0.000	0.000	0.000	0.000
814	A	984	ILE	0	0.001	0.022	72.896	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)