FMO DATABASE

FMODB ID: 983Y2

Calculation Name: 1WZ2-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

Ligand 3-letter code:

Ligand of Interest (LOI):

Structure Source: PDB

PDB ID: 1WZ2

Chain ID: A

ChEMBL ID:

UniProt ID: O58698

Base Structure: X-ray

Registration Date: 2023-09-24

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

DOI:

Apendix: None

IFIE MAP

IFIE Diagram

Modeling method

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

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	948
LigandResidueName
LigandFragmentNumber	0
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-27664165.716994
FMO2-HF: Nuclear repulsion	27276506.566899
FMO2-HF: Total energy	-387659.150095
FMO2-MP2: Total energy	-388808.230963

3D Structure Molmil

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:4:LEU)

Summations of interaction energy for fragment #1(A:4:LEU)

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.
-7.549	1.043	5.976	-6.127	-8.438	-0.043

Interaction energy analysis for fragmet #1(A:4:LEU)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.015 / q_NPA : 0.003

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	6	PHE	0	0.045	0.015	3.284	-1.505	2.092	0.568	-1.846	-2.318	-0.002
4	A	7	LYS	1	0.870	0.969	6.372	-0.696	-0.696	0.000	0.000	0.000	0.000
5	A	8	ALA	0	0.023	0.007	8.727	-0.073	-0.073	0.000	0.000	0.000	0.000
6	A	9	ILE	0	0.015	0.007	6.488	0.084	0.084	0.000	0.000	0.000	0.000
7	A	10	GLU	-1	-0.834	-0.929	9.983	0.475	0.475	0.000	0.000	0.000	0.000
8	A	11	GLU	-1	-0.936	-0.973	12.080	0.180	0.180	0.000	0.000	0.000	0.000
9	A	12	LYN	0	0.009	0.044	12.313	-0.100	-0.100	0.000	0.000	0.000	0.000
10	A	13	TRP	0	-0.034	-0.038	12.441	-0.124	-0.124	0.000	0.000	0.000	0.000
11	A	14	GLN	0	-0.015	0.009	15.381	-0.097	-0.097	0.000	0.000	0.000	0.000
12	A	15	LYS	1	0.812	0.901	18.253	-0.260	-0.260	0.000	0.000	0.000	0.000
13	A	16	ARG	1	0.878	0.937	16.271	-0.417	-0.417	0.000	0.000	0.000	0.000
14	A	17	TRP	0	-0.045	-0.046	16.195	-0.024	-0.024	0.000	0.000	0.000	0.000
15	A	18	LEU	0	-0.020	-0.020	21.690	-0.029	-0.029	0.000	0.000	0.000	0.000
16	A	19	GLU	-1	-0.862	-0.917	22.775	0.180	0.180	0.000	0.000	0.000	0.000
17	A	20	ALA	0	-0.030	-0.005	24.383	-0.015	-0.015	0.000	0.000	0.000	0.000
18	A	21	LYS	1	0.793	0.883	26.068	-0.140	-0.140	0.000	0.000	0.000	0.000
19	A	22	ILE	0	0.011	0.012	23.181	-0.008	-0.008	0.000	0.000	0.000	0.000
20	A	23	PHE	0	-0.097	-0.048	20.980	-0.001	-0.001	0.000	0.000	0.000	0.000
21	A	24	GLU	-1	-0.808	-0.883	26.832	0.122	0.122	0.000	0.000	0.000	0.000
22	A	25	PRO	0	-0.049	0.001	30.394	-0.004	-0.004	0.000	0.000	0.000	0.000
23	A	26	ASN	0	0.035	-0.012	32.544	-0.001	-0.001	0.000	0.000	0.000	0.000
24	A	27	ILE	0	0.003	0.001	35.821	0.002	0.002	0.000	0.000	0.000	0.000
25	A	28	ARG	0	0.071	0.050	38.617	0.005	0.005	0.000	0.000	0.000	0.000
26	A	29	ASP	-1	-0.920	-0.940	33.681	0.108	0.108	0.000	0.000	0.000	0.000
27	A	30	LYS	1	0.846	0.929	32.617	-0.113	-0.113	0.000	0.000	0.000	0.000
28	A	31	PRO	0	0.036	0.026	38.169	-0.002	-0.002	0.000	0.000	0.000	0.000
29	A	32	LYS	1	0.918	0.958	39.511	-0.060	-0.060	0.000	0.000	0.000	0.000
30	A	33	GLU	-1	-0.894	-0.932	40.087	0.073	0.073	0.000	0.000	0.000	0.000
31	A	34	LYS	1	0.877	0.923	36.060	-0.077	-0.077	0.000	0.000	0.000	0.000
32	A	35	LYS	1	0.806	0.916	35.296	-0.069	-0.069	0.000	0.000	0.000	0.000
33	A	36	PHE	0	0.023	-0.011	30.207	-0.001	-0.001	0.000	0.000	0.000	0.000
34	A	37	TYR	0	-0.053	-0.041	32.961	0.008	0.008	0.000	0.000	0.000	0.000
35	A	38	ILE	0	-0.001	-0.004	29.810	-0.003	-0.003	0.000	0.000	0.000	0.000
36	A	39	THR	0	-0.004	-0.002	31.686	0.003	0.003	0.000	0.000	0.000	0.000
37	A	40	VAL	0	0.009	0.010	28.127	-0.002	-0.002	0.000	0.000	0.000	0.000
38	A	41	ALA	0	-0.021	-0.006	31.484	0.000	0.000	0.000	0.000	0.000	0.000
39	A	42	PHE	0	-0.011	0.007	31.517	0.003	0.003	0.000	0.000	0.000	0.000
40	A	43	PRO	0	0.020	0.016	28.626	-0.006	-0.006	0.000	0.000	0.000	0.000
41	A	44	TYR	0	-0.014	-0.008	31.518	-0.002	-0.002	0.000	0.000	0.000	0.000
42	A	45	LEU	0	-0.056	-0.009	30.643	-0.001	-0.001	0.000	0.000	0.000	0.000
43	A	46	SER	0	-0.007	-0.002	31.819	-0.005	-0.005	0.000	0.000	0.000	0.000
44	A	47	GLY	0	-0.010	-0.004	29.636	-0.007	-0.007	0.000	0.000	0.000	0.000
45	A	48	HIS	0	-0.030	0.011	23.914	0.013	0.013	0.000	0.000	0.000	0.000
46	A	49	LEU	0	0.008	0.012	24.131	-0.005	-0.005	0.000	0.000	0.000	0.000
47	A	50	HIS	0	0.033	0.029	22.532	0.005	0.005	0.000	0.000	0.000	0.000
48	A	51	VAL	0	0.077	0.007	18.270	0.012	0.012	0.000	0.000	0.000	0.000
49	A	52	GLY	0	-0.026	-0.013	21.045	0.008	0.008	0.000	0.000	0.000	0.000
50	A	53	HIS	0	0.012	-0.015	24.428	0.007	0.007	0.000	0.000	0.000	0.000
51	A	54	ALA	0	0.023	0.023	20.032	0.007	0.007	0.000	0.000	0.000	0.000
52	A	55	ARG	1	0.880	0.941	22.102	-0.063	-0.063	0.000	0.000	0.000	0.000
53	A	56	THR	0	-0.024	-0.011	22.944	0.005	0.005	0.000	0.000	0.000	0.000
54	A	57	TYR	0	0.000	-0.019	23.609	-0.002	-0.002	0.000	0.000	0.000	0.000
55	A	58	THR	0	-0.004	0.005	18.685	0.015	0.015	0.000	0.000	0.000	0.000
56	A	59	ILE	0	0.004	0.007	21.817	0.011	0.011	0.000	0.000	0.000	0.000
57	A	60	PRO	0	0.051	0.022	24.384	0.003	0.003	0.000	0.000	0.000	0.000
58	A	61	ASP	-1	-0.676	-0.808	20.663	0.263	0.263	0.000	0.000	0.000	0.000
59	A	62	VAL	0	-0.060	-0.045	19.853	0.005	0.005	0.000	0.000	0.000	0.000
60	A	63	ILE	0	0.045	0.012	22.419	0.004	0.004	0.000	0.000	0.000	0.000
61	A	64	ALA	0	0.022	0.020	25.706	-0.005	-0.005	0.000	0.000	0.000	0.000
62	A	65	ARG	1	0.773	0.880	19.062	-0.330	-0.330	0.000	0.000	0.000	0.000
63	A	66	PHE	0	0.038	0.025	23.720	-0.006	-0.006	0.000	0.000	0.000	0.000
64	A	67	LYS	1	0.842	0.903	24.866	-0.110	-0.110	0.000	0.000	0.000	0.000
65	A	68	ARG	1	0.917	0.948	24.775	-0.193	-0.193	0.000	0.000	0.000	0.000
66	A	69	MET	0	-0.059	-0.004	20.732	0.000	0.000	0.000	0.000	0.000	0.000
67	A	70	GLN	0	-0.054	-0.029	26.021	-0.011	-0.011	0.000	0.000	0.000	0.000
68	A	71	GLY	0	-0.005	0.003	28.919	-0.011	-0.011	0.000	0.000	0.000	0.000
69	A	72	TYR	0	-0.036	-0.012	30.847	-0.009	-0.009	0.000	0.000	0.000	0.000
70	A	73	ASN	0	-0.039	-0.031	31.127	0.014	0.014	0.000	0.000	0.000	0.000
71	A	74	VAL	0	-0.108	-0.058	28.397	-0.004	-0.004	0.000	0.000	0.000	0.000
72	A	75	LEU	0	0.001	0.029	31.395	0.004	0.004	0.000	0.000	0.000	0.000
73	A	76	PHE	0	0.027	0.003	24.723	-0.004	-0.004	0.000	0.000	0.000	0.000
74	A	77	PRO	0	-0.005	0.019	28.986	0.009	0.009	0.000	0.000	0.000	0.000
75	A	78	MET	0	-0.031	-0.014	27.161	-0.002	-0.002	0.000	0.000	0.000	0.000
76	A	79	ALA	0	0.010	0.014	30.694	-0.001	-0.001	0.000	0.000	0.000	0.000
77	A	80	TRP	0	-0.063	-0.052	27.301	0.002	0.002	0.000	0.000	0.000	0.000
78	A	81	HIS	0	-0.008	0.002	33.731	-0.005	-0.005	0.000	0.000	0.000	0.000
79	A	82	ILE	0	0.015	-0.018	35.735	0.000	0.000	0.000	0.000	0.000	0.000
80	A	83	THR	0	-0.051	-0.045	38.253	-0.002	-0.002	0.000	0.000	0.000	0.000
81	A	84	GLY	0	0.034	0.012	41.267	0.001	0.001	0.000	0.000	0.000	0.000
82	A	85	SER	0	0.039	0.027	41.968	-0.001	-0.001	0.000	0.000	0.000	0.000
83	A	86	PRO	0	0.022	0.021	38.116	-0.001	-0.001	0.000	0.000	0.000	0.000
84	A	87	ILE	0	0.026	0.012	36.407	-0.002	-0.002	0.000	0.000	0.000	0.000
85	A	88	VAL	0	0.036	0.017	38.846	-0.001	-0.001	0.000	0.000	0.000	0.000
86	A	89	GLY	0	0.076	0.052	42.418	-0.001	-0.001	0.000	0.000	0.000	0.000
87	A	90	ILE	0	-0.103	-0.072	35.817	-0.002	-0.002	0.000	0.000	0.000	0.000
88	A	91	ALA	0	0.019	0.023	39.691	-0.002	-0.002	0.000	0.000	0.000	0.000
89	A	92	GLU	-1	-0.843	-0.936	40.889	0.018	0.018	0.000	0.000	0.000	0.000
90	A	93	ARG	1	0.876	0.960	39.687	-0.020	-0.020	0.000	0.000	0.000	0.000
91	A	94	ILE	0	0.011	-0.002	36.707	-0.002	-0.002	0.000	0.000	0.000	0.000
92	A	95	LYS	1	0.924	0.981	40.003	-0.016	-0.016	0.000	0.000	0.000	0.000
93	A	96	ASN	0	-0.119	-0.062	43.249	-0.001	-0.001	0.000	0.000	0.000	0.000
94	A	97	ARG	1	0.814	0.894	40.338	-0.011	-0.011	0.000	0.000	0.000	0.000
95	A	98	ASP	-1	-0.828	-0.895	40.222	0.006	0.006	0.000	0.000	0.000	0.000
96	A	99	PRO	0	0.058	0.016	38.729	0.000	0.000	0.000	0.000	0.000	0.000
97	A	100	LYS	1	0.947	0.976	36.072	-0.008	-0.008	0.000	0.000	0.000	0.000
98	A	101	THR	0	-0.056	-0.059	35.179	0.001	0.001	0.000	0.000	0.000	0.000
99	A	102	ILE	0	0.034	0.016	34.596	0.002	0.002	0.000	0.000	0.000	0.000
100	A	103	TRP	0	0.017	0.019	29.236	0.002	0.002	0.000	0.000	0.000	0.000
101	A	104	ILE	0	-0.035	-0.031	30.734	0.000	0.000	0.000	0.000	0.000	0.000
102	A	105	TYR	0	-0.054	-0.050	29.963	0.003	0.003	0.000	0.000	0.000	0.000
103	A	106	ARG	1	0.834	0.919	29.319	0.008	0.008	0.000	0.000	0.000	0.000
104	A	107	ASP	-1	-0.873	-0.935	27.019	-0.011	-0.011	0.000	0.000	0.000	0.000
105	A	108	VAL	0	-0.061	-0.021	25.511	-0.001	-0.001	0.000	0.000	0.000	0.000
106	A	109	TYR	0	-0.058	-0.036	24.821	0.002	0.002	0.000	0.000	0.000	0.000
107	A	110	LYS	1	0.825	0.908	19.633	0.006	0.006	0.000	0.000	0.000	0.000
108	A	111	VAL	0	0.020	0.020	25.790	0.007	0.007	0.000	0.000	0.000	0.000
109	A	112	PRO	0	-0.003	-0.019	27.062	-0.005	-0.005	0.000	0.000	0.000	0.000
110	A	113	GLU	-1	-0.832	-0.914	29.215	0.002	0.002	0.000	0.000	0.000	0.000
111	A	114	GLU	-1	-0.935	-0.950	32.043	0.012	0.012	0.000	0.000	0.000	0.000
112	A	115	ILE	0	0.034	-0.002	29.806	0.001	0.001	0.000	0.000	0.000	0.000
113	A	116	LEU	0	-0.007	0.045	32.337	0.002	0.002	0.000	0.000	0.000	0.000
114	A	117	TRP	0	0.078	0.018	34.228	0.002	0.002	0.000	0.000	0.000	0.000
115	A	118	THR	0	-0.104	-0.057	35.995	0.001	0.001	0.000	0.000	0.000	0.000
116	A	119	PHE	0	0.013	-0.032	31.908	0.003	0.003	0.000	0.000	0.000	0.000
117	A	120	GLU	-1	-0.826	-0.883	38.184	0.015	0.015	0.000	0.000	0.000	0.000
118	A	121	ASP	-1	-0.883	-0.929	40.758	0.031	0.031	0.000	0.000	0.000	0.000
119	A	122	PRO	0	0.102	0.022	39.654	0.002	0.002	0.000	0.000	0.000	0.000
120	A	123	ILE	0	-0.016	0.003	38.537	0.003	0.003	0.000	0.000	0.000	0.000
121	A	124	ASN	0	0.030	0.005	36.833	0.006	0.006	0.000	0.000	0.000	0.000
122	A	125	ILE	0	-0.040	-0.010	34.340	0.003	0.003	0.000	0.000	0.000	0.000
123	A	126	VAL	0	-0.041	-0.027	33.965	0.004	0.004	0.000	0.000	0.000	0.000
124	A	127	LYS	1	0.920	0.971	34.099	-0.037	-0.037	0.000	0.000	0.000	0.000
125	A	128	TYR	0	-0.026	-0.024	26.599	0.007	0.007	0.000	0.000	0.000	0.000
126	A	129	PHE	0	0.038	0.000	27.696	0.004	0.004	0.000	0.000	0.000	0.000
127	A	130	MET	0	0.012	0.023	29.138	0.004	0.004	0.000	0.000	0.000	0.000
128	A	131	LYS	1	0.777	0.866	25.727	-0.079	-0.079	0.000	0.000	0.000	0.000
129	A	132	ALA	0	0.017	0.007	25.381	0.010	0.010	0.000	0.000	0.000	0.000
130	A	133	ALA	0	-0.010	0.027	24.458	0.008	0.008	0.000	0.000	0.000	0.000
131	A	134	LYS	1	0.899	0.928	24.349	-0.095	-0.095	0.000	0.000	0.000	0.000
132	A	135	GLU	-1	-0.784	-0.865	22.428	0.119	0.119	0.000	0.000	0.000	0.000
133	A	136	THR	0	0.002	-0.011	19.868	0.024	0.024	0.000	0.000	0.000	0.000
134	A	137	PHE	0	-0.032	-0.046	19.942	0.019	0.019	0.000	0.000	0.000	0.000
135	A	138	ILE	0	0.005	0.009	20.628	0.023	0.023	0.000	0.000	0.000	0.000
136	A	139	ARG	1	0.810	0.886	13.758	-0.210	-0.210	0.000	0.000	0.000	0.000
137	A	140	ALA	0	-0.046	-0.022	15.815	0.045	0.045	0.000	0.000	0.000	0.000
138	A	141	GLY	0	0.016	0.014	17.136	0.023	0.023	0.000	0.000	0.000	0.000
139	A	142	PHE	0	-0.032	0.000	18.405	0.005	0.005	0.000	0.000	0.000	0.000
140	A	143	SER	0	-0.076	-0.029	21.636	-0.003	-0.003	0.000	0.000	0.000	0.000
141	A	144	VAL	0	-0.028	-0.045	23.904	-0.012	-0.012	0.000	0.000	0.000	0.000
142	A	145	ASP	-1	-0.724	-0.856	26.499	0.121	0.121	0.000	0.000	0.000	0.000
143	A	146	TRP	0	-0.014	-0.040	24.311	-0.017	-0.017	0.000	0.000	0.000	0.000
144	A	147	SER	0	-0.018	0.007	30.044	-0.012	-0.012	0.000	0.000	0.000	0.000
145	A	148	ARG	1	0.702	0.862	33.083	-0.100	-0.100	0.000	0.000	0.000	0.000
146	A	149	GLU	-1	-0.750	-0.857	30.919	0.106	0.106	0.000	0.000	0.000	0.000
147	A	150	PHE	0	-0.017	-0.003	34.292	-0.004	-0.004	0.000	0.000	0.000	0.000
148	A	151	TYR	0	0.029	0.016	35.419	0.004	0.004	0.000	0.000	0.000	0.000
149	A	152	THR	0	0.020	0.023	37.177	-0.002	-0.002	0.000	0.000	0.000	0.000
150	A	153	THR	0	0.032	0.017	40.074	-0.002	-0.002	0.000	0.000	0.000	0.000
151	A	154	SER	0	0.037	0.021	43.508	0.002	0.002	0.000	0.000	0.000	0.000
152	A	155	LEU	0	-0.015	-0.005	41.941	0.000	0.000	0.000	0.000	0.000	0.000
153	A	156	PHE	0	-0.048	-0.019	38.329	0.002	0.002	0.000	0.000	0.000	0.000
154	A	157	PRO	0	0.026	-0.006	42.949	0.001	0.001	0.000	0.000	0.000	0.000
155	A	158	PRO	0	0.053	0.026	43.386	-0.001	-0.001	0.000	0.000	0.000	0.000
156	A	159	PHE	0	0.017	0.019	41.542	0.000	0.000	0.000	0.000	0.000	0.000
157	A	160	SER	0	0.020	0.017	44.134	-0.002	-0.002	0.000	0.000	0.000	0.000
158	A	161	LYS	1	0.845	0.954	46.849	-0.035	-0.035	0.000	0.000	0.000	0.000
159	A	162	PHE	0	0.010	0.018	43.884	-0.001	-0.001	0.000	0.000	0.000	0.000
160	A	163	ILE	0	-0.033	-0.034	43.700	-0.001	-0.001	0.000	0.000	0.000	0.000
161	A	164	GLU	-1	-0.858	-0.943	47.422	0.032	0.032	0.000	0.000	0.000	0.000
162	A	165	TRP	0	-0.072	-0.041	47.732	-0.001	-0.001	0.000	0.000	0.000	0.000
163	A	166	GLN	0	0.015	0.008	46.106	-0.001	-0.001	0.000	0.000	0.000	0.000
164	A	167	PHE	0	0.043	-0.006	47.887	-0.001	-0.001	0.000	0.000	0.000	0.000
165	A	168	TRP	0	-0.009	0.000	52.497	-0.002	-0.002	0.000	0.000	0.000	0.000
166	A	169	LYS	1	0.860	0.928	53.236	-0.035	-0.035	0.000	0.000	0.000	0.000
167	A	170	LEU	0	-0.056	-0.024	50.410	0.000	0.000	0.000	0.000	0.000	0.000
168	A	171	LYS	1	0.857	0.937	54.952	-0.026	-0.026	0.000	0.000	0.000	0.000
169	A	172	GLU	-1	-0.881	-0.942	58.352	0.028	0.028	0.000	0.000	0.000	0.000
170	A	173	LYS	1	0.831	0.913	56.407	-0.028	-0.028	0.000	0.000	0.000	0.000
171	A	174	GLY	0	-0.038	-0.003	59.099	-0.001	-0.001	0.000	0.000	0.000	0.000
172	A	175	TYR	0	-0.011	-0.012	54.301	0.000	0.000	0.000	0.000	0.000	0.000
173	A	176	ILE	0	-0.035	0.004	53.802	0.000	0.000	0.000	0.000	0.000	0.000
174	A	177	VAL	0	-0.007	-0.005	57.357	-0.001	-0.001	0.000	0.000	0.000	0.000
175	A	178	LYS	1	0.866	0.926	58.459	-0.018	-0.018	0.000	0.000	0.000	0.000
176	A	179	GLY	0	-0.019	-0.009	60.610	0.000	0.000	0.000	0.000	0.000	0.000
177	A	180	ALA	0	0.021	0.027	60.610	0.000	0.000	0.000	0.000	0.000	0.000
178	A	181	HIS	0	0.024	-0.014	52.754	0.001	0.001	0.000	0.000	0.000	0.000
179	A	182	ARG	1	0.867	0.956	55.288	-0.015	-0.015	0.000	0.000	0.000	0.000
180	A	183	VAL	0	-0.012	-0.034	51.838	0.001	0.001	0.000	0.000	0.000	0.000
181	A	184	ARG	1	0.860	0.944	48.936	-0.015	-0.015	0.000	0.000	0.000	0.000
182	A	185	TRP	0	0.013	-0.011	53.148	0.001	0.001	0.000	0.000	0.000	0.000
183	A	186	ASP	-1	-0.702	-0.859	52.738	0.009	0.009	0.000	0.000	0.000	0.000
184	A	187	PRO	0	-0.093	-0.044	54.797	0.000	0.000	0.000	0.000	0.000	0.000
185	A	188	VAL	0	-0.049	-0.017	54.385	0.000	0.000	0.000	0.000	0.000	0.000
186	A	189	VAL	0	-0.009	0.001	57.035	0.000	0.000	0.000	0.000	0.000	0.000
187	A	190	GLY	0	-0.026	-0.011	57.057	0.000	0.000	0.000	0.000	0.000	0.000
188	A	191	THR	0	0.020	-0.002	51.041	0.001	0.001	0.000	0.000	0.000	0.000
189	A	192	PRO	0	-0.045	-0.011	50.723	-0.001	-0.001	0.000	0.000	0.000	0.000
190	A	193	LEU	0	-0.010	0.001	48.988	0.000	0.000	0.000	0.000	0.000	0.000
191	A	194	GLY	0	-0.035	0.000	46.485	0.000	0.000	0.000	0.000	0.000	0.000
192	A	195	ASP	-1	-0.884	-0.961	45.105	0.019	0.019	0.000	0.000	0.000	0.000
193	A	196	HIS	0	-0.066	-0.029	41.944	0.001	0.001	0.000	0.000	0.000	0.000
194	A	197	ASP	-1	-0.915	-0.967	43.670	0.015	0.015	0.000	0.000	0.000	0.000
195	A	198	LEU	0	-0.046	-0.008	45.979	-0.001	-0.001	0.000	0.000	0.000	0.000
196	A	199	MET	0	-0.064	-0.011	45.682	0.000	0.000	0.000	0.000	0.000	0.000
197	A	200	GLU	-1	-0.943	-0.994	46.415	0.002	0.002	0.000	0.000	0.000	0.000
198	A	201	GLY	0	0.029	0.010	47.250	0.001	0.001	0.000	0.000	0.000	0.000
199	A	202	GLU	-1	-0.803	-0.921	43.570	0.013	0.013	0.000	0.000	0.000	0.000
200	A	203	ASP	-1	-0.958	-0.970	44.862	0.012	0.012	0.000	0.000	0.000	0.000
201	A	204	VAL	0	-0.053	-0.013	47.814	0.000	0.000	0.000	0.000	0.000	0.000
202	A	205	PRO	0	-0.013	-0.005	51.595	0.001	0.001	0.000	0.000	0.000	0.000
203	A	206	ILE	0	-0.029	-0.031	53.000	-0.001	-0.001	0.000	0.000	0.000	0.000
204	A	207	LEU	0	-0.030	0.002	55.684	0.000	0.000	0.000	0.000	0.000	0.000
205	A	208	ASP	-1	-0.783	-0.909	58.822	0.013	0.013	0.000	0.000	0.000	0.000
206	A	209	TYR	0	0.010	0.003	61.824	0.000	0.000	0.000	0.000	0.000	0.000
207	A	210	ILE	0	0.011	0.017	64.762	0.000	0.000	0.000	0.000	0.000	0.000
208	A	211	ILE	0	-0.042	-0.027	67.653	0.000	0.000	0.000	0.000	0.000	0.000
209	A	212	ILE	0	0.022	-0.006	70.818	0.000	0.000	0.000	0.000	0.000	0.000
210	A	213	LYS	1	0.768	0.857	74.171	-0.009	-0.009	0.000	0.000	0.000	0.000
211	A	214	PHE	0	0.082	0.030	76.471	0.000	0.000	0.000	0.000	0.000	0.000
212	A	215	GLU	-1	-0.831	-0.906	79.616	0.006	0.006	0.000	0.000	0.000	0.000
213	A	216	LEU	0	-0.004	0.027	82.980	0.000	0.000	0.000	0.000	0.000	0.000
214	A	217	ARG	1	0.866	0.934	85.093	-0.006	-0.006	0.000	0.000	0.000	0.000
215	A	218	GLU	-1	-0.788	-0.876	87.937	0.004	0.004	0.000	0.000	0.000	0.000
216	A	219	ASN	0	-0.090	-0.053	90.291	0.000	0.000	0.000	0.000	0.000	0.000
217	A	220	GLY	0	0.000	-0.002	91.950	0.000	0.000	0.000	0.000	0.000	0.000
218	A	221	GLU	-1	-0.867	-0.945	89.110	0.006	0.006	0.000	0.000	0.000	0.000
219	A	222	VAL	0	-0.068	-0.025	84.796	0.000	0.000	0.000	0.000	0.000	0.000
220	A	223	ILE	0	0.009	0.000	81.604	0.000	0.000	0.000	0.000	0.000	0.000
221	A	224	TYR	0	-0.033	-0.006	78.453	0.000	0.000	0.000	0.000	0.000	0.000
222	A	225	LEU	0	0.009	0.009	77.741	0.000	0.000	0.000	0.000	0.000	0.000
223	A	226	PRO	0	-0.013	-0.017	73.279	0.000	0.000	0.000	0.000	0.000	0.000
224	A	227	ALA	0	0.056	0.050	73.101	0.000	0.000	0.000	0.000	0.000	0.000
225	A	228	ALA	0	-0.006	0.005	68.030	0.000	0.000	0.000	0.000	0.000	0.000
226	A	229	THR	0	0.020	0.022	68.418	0.000	0.000	0.000	0.000	0.000	0.000
227	A	230	LEU	0	0.008	-0.003	62.443	0.000	0.000	0.000	0.000	0.000	0.000
228	A	231	ARG	1	0.813	0.886	65.806	-0.006	-0.006	0.000	0.000	0.000	0.000
229	A	232	PRO	0	0.059	0.026	67.632	0.000	0.000	0.000	0.000	0.000	0.000
230	A	233	GLU	-1	-0.738	-0.860	68.612	0.007	0.007	0.000	0.000	0.000	0.000
231	A	234	THR	0	-0.054	-0.033	71.398	0.000	0.000	0.000	0.000	0.000	0.000
232	A	235	VAL	0	0.098	0.047	73.963	0.000	0.000	0.000	0.000	0.000	0.000
233	A	236	TYR	0	-0.064	-0.041	76.370	0.000	0.000	0.000	0.000	0.000	0.000
234	A	237	GLY	0	-0.027	-0.013	77.778	0.000	0.000	0.000	0.000	0.000	0.000
235	A	238	VAL	0	-0.058	-0.024	77.843	0.000	0.000	0.000	0.000	0.000	0.000
236	A	239	THR	0	0.027	0.004	79.353	0.000	0.000	0.000	0.000	0.000	0.000
237	A	240	ASN	0	0.011	0.002	79.521	0.000	0.000	0.000	0.000	0.000	0.000
238	A	241	MET	0	-0.040	-0.018	77.187	0.000	0.000	0.000	0.000	0.000	0.000
239	A	242	TRP	0	0.068	0.046	74.834	0.000	0.000	0.000	0.000	0.000	0.000
240	A	243	VAL	0	-0.014	-0.010	75.390	0.000	0.000	0.000	0.000	0.000	0.000
241	A	244	ASN	0	-0.009	-0.017	71.936	0.000	0.000	0.000	0.000	0.000	0.000
242	A	245	PRO	0	-0.019	-0.014	75.694	0.000	0.000	0.000	0.000	0.000	0.000
243	A	246	ASN	0	-0.028	-0.007	72.932	0.000	0.000	0.000	0.000	0.000	0.000
244	A	247	ALA	0	0.014	0.030	72.007	0.000	0.000	0.000	0.000	0.000	0.000
245	A	248	THR	0	-0.010	0.000	73.709	0.000	0.000	0.000	0.000	0.000	0.000
246	A	249	TYR	0	-0.003	-0.011	73.422	0.000	0.000	0.000	0.000	0.000	0.000
247	A	250	VAL	0	-0.044	-0.036	74.287	0.000	0.000	0.000	0.000	0.000	0.000
248	A	251	LYS	1	0.901	0.957	77.146	-0.005	-0.005	0.000	0.000	0.000	0.000
249	A	252	ALA	0	-0.017	-0.008	76.121	0.000	0.000	0.000	0.000	0.000	0.000
250	A	253	LYS	1	0.872	0.941	78.122	-0.007	-0.007	0.000	0.000	0.000	0.000
251	A	254	VAL	0	-0.014	-0.014	72.584	0.000	0.000	0.000	0.000	0.000	0.000
252	A	255	ARG	1	0.792	0.874	74.438	-0.008	-0.008	0.000	0.000	0.000	0.000
253	A	256	ARG	1	0.835	0.902	65.970	-0.011	-0.011	0.000	0.000	0.000	0.000
254	A	257	LYS	1	0.902	0.948	69.866	-0.013	-0.013	0.000	0.000	0.000	0.000
255	A	258	ASP	-1	-0.917	-0.954	73.168	0.010	0.010	0.000	0.000	0.000	0.000
256	A	259	LYS	1	0.912	0.952	76.700	-0.009	-0.009	0.000	0.000	0.000	0.000
257	A	260	GLU	-1	-0.817	-0.904	76.866	0.008	0.008	0.000	0.000	0.000	0.000
258	A	261	GLU	-1	-0.792	-0.853	77.629	0.008	0.008	0.000	0.000	0.000	0.000
259	A	262	THR	0	-0.009	-0.013	78.966	0.000	0.000	0.000	0.000	0.000	0.000
260	A	263	TRP	0	-0.090	-0.058	71.306	0.000	0.000	0.000	0.000	0.000	0.000
261	A	264	ILE	0	0.020	0.002	77.783	0.000	0.000	0.000	0.000	0.000	0.000
262	A	265	VAL	0	-0.013	-0.002	72.114	0.000	0.000	0.000	0.000	0.000	0.000
263	A	266	SER	0	0.054	-0.006	70.106	0.000	0.000	0.000	0.000	0.000	0.000
264	A	267	LYS	1	0.882	0.936	70.587	-0.004	-0.004	0.000	0.000	0.000	0.000
265	A	268	GLU	-1	-0.849	-0.935	66.135	0.005	0.005	0.000	0.000	0.000	0.000
266	A	269	ALA	0	0.017	0.006	66.920	0.000	0.000	0.000	0.000	0.000	0.000
267	A	270	ALA	0	-0.028	-0.006	68.498	0.000	0.000	0.000	0.000	0.000	0.000
268	A	271	TYR	0	-0.002	-0.012	62.456	0.001	0.001	0.000	0.000	0.000	0.000
269	A	272	LYS	1	0.863	0.932	62.306	-0.006	-0.006	0.000	0.000	0.000	0.000
270	A	273	LEU	0	-0.014	-0.032	64.393	0.001	0.001	0.000	0.000	0.000	0.000
271	A	274	SER	0	-0.019	0.010	66.768	0.000	0.000	0.000	0.000	0.000	0.000
272	A	275	PHE	0	-0.017	0.002	61.652	0.001	0.001	0.000	0.000	0.000	0.000
273	A	276	GLN	0	-0.056	-0.023	61.885	0.001	0.001	0.000	0.000	0.000	0.000
274	A	277	ASP	-1	-0.890	-0.956	64.518	0.013	0.013	0.000	0.000	0.000	0.000
275	A	278	ARG	1	0.880	0.928	66.192	-0.010	-0.010	0.000	0.000	0.000	0.000
276	A	279	GLU	-1	-0.871	-0.892	69.718	0.009	0.009	0.000	0.000	0.000	0.000
277	A	280	ILE	0	0.010	-0.007	70.254	0.000	0.000	0.000	0.000	0.000	0.000
278	A	281	GLU	-1	-0.848	-0.881	73.068	0.007	0.007	0.000	0.000	0.000	0.000
279	A	282	VAL	0	-0.003	-0.026	74.333	0.000	0.000	0.000	0.000	0.000	0.000
280	A	283	ILE	0	-0.033	-0.023	76.873	0.000	0.000	0.000	0.000	0.000	0.000
281	A	284	GLU	-1	-0.831	-0.906	79.847	0.004	0.004	0.000	0.000	0.000	0.000
282	A	285	GLU	-1	-0.776	-0.845	76.440	0.005	0.005	0.000	0.000	0.000	0.000
283	A	286	PHE	0	-0.077	-0.059	78.519	0.000	0.000	0.000	0.000	0.000	0.000
284	A	287	LYS	1	0.900	0.926	79.399	-0.003	-0.003	0.000	0.000	0.000	0.000
285	A	288	GLY	0	0.098	0.068	78.271	0.000	0.000	0.000	0.000	0.000	0.000
286	A	289	GLU	-1	-0.869	-0.943	78.998	0.003	0.003	0.000	0.000	0.000	0.000
287	A	290	LYS	1	0.813	0.911	82.002	-0.004	-0.004	0.000	0.000	0.000	0.000
288	A	291	LEU	0	-0.032	-0.015	78.557	0.000	0.000	0.000	0.000	0.000	0.000
289	A	292	ILE	0	-0.009	0.026	80.419	0.000	0.000	0.000	0.000	0.000	0.000
290	A	293	GLY	0	0.008	0.020	83.905	0.000	0.000	0.000	0.000	0.000	0.000
291	A	294	LYS	1	0.767	0.862	85.440	-0.004	-0.004	0.000	0.000	0.000	0.000
292	A	295	TYR	0	0.051	0.022	85.777	0.000	0.000	0.000	0.000	0.000	0.000
293	A	296	VAL	0	-0.034	-0.052	81.237	0.000	0.000	0.000	0.000	0.000	0.000
294	A	297	ARG	1	0.822	0.898	84.143	-0.006	-0.006	0.000	0.000	0.000	0.000
295	A	298	ASN	0	-0.005	-0.003	80.150	0.000	0.000	0.000	0.000	0.000	0.000
296	A	299	PRO	0	-0.034	-0.005	78.749	0.000	0.000	0.000	0.000	0.000	0.000
297	A	300	VAL	0	-0.070	-0.032	78.011	0.000	0.000	0.000	0.000	0.000	0.000
298	A	301	SER	0	-0.077	-0.059	80.393	0.000	0.000	0.000	0.000	0.000	0.000
299	A	302	GLY	0	-0.003	-0.004	83.383	0.000	0.000	0.000	0.000	0.000	0.000
300	A	303	ASP	-1	-0.861	-0.904	84.201	0.005	0.005	0.000	0.000	0.000	0.000
301	A	304	GLU	-1	-0.881	-0.951	85.854	0.005	0.005	0.000	0.000	0.000	0.000
302	A	305	VAL	0	-0.003	0.013	81.679	0.000	0.000	0.000	0.000	0.000	0.000
303	A	306	ILE	0	0.055	0.045	84.470	0.000	0.000	0.000	0.000	0.000	0.000
304	A	307	ILE	0	-0.011	-0.002	80.148	0.000	0.000	0.000	0.000	0.000	0.000
305	A	308	LEU	0	0.048	0.020	80.546	0.000	0.000	0.000	0.000	0.000	0.000
306	A	309	PRO	0	0.004	-0.012	79.315	0.000	0.000	0.000	0.000	0.000	0.000
307	A	310	ALA	0	-0.005	-0.014	74.764	0.000	0.000	0.000	0.000	0.000	0.000
308	A	311	GLU	-1	-0.841	-0.930	73.090	0.002	0.002	0.000	0.000	0.000	0.000
309	A	312	PHE	0	0.001	0.003	69.575	0.000	0.000	0.000	0.000	0.000	0.000
310	A	313	VAL	0	-0.022	0.012	69.085	0.000	0.000	0.000	0.000	0.000	0.000
311	A	314	ASP	-1	-0.819	-0.917	64.094	0.004	0.004	0.000	0.000	0.000	0.000
312	A	315	PRO	0	0.044	0.006	67.693	0.000	0.000	0.000	0.000	0.000	0.000
313	A	316	ASP	-1	-0.831	-0.889	62.253	0.006	0.006	0.000	0.000	0.000	0.000
314	A	317	ASN	0	-0.041	-0.010	63.578	0.001	0.001	0.000	0.000	0.000	0.000
315	A	318	ALA	0	0.043	0.012	64.619	0.000	0.000	0.000	0.000	0.000	0.000
316	A	319	THR	0	0.057	-0.021	66.397	0.000	0.000	0.000	0.000	0.000	0.000
317	A	320	GLY	0	0.022	0.044	69.569	0.000	0.000	0.000	0.000	0.000	0.000
318	A	321	VAL	0	-0.056	-0.019	71.058	0.000	0.000	0.000	0.000	0.000	0.000
319	A	322	VAL	0	0.012	0.007	70.537	0.000	0.000	0.000	0.000	0.000	0.000
320	A	323	MET	0	-0.031	-0.015	73.208	0.000	0.000	0.000	0.000	0.000	0.000
321	A	324	SER	0	-0.034	-0.019	74.152	0.000	0.000	0.000	0.000	0.000	0.000
322	A	325	VAL	0	-0.048	-0.035	74.576	0.000	0.000	0.000	0.000	0.000	0.000
323	A	326	PRO	0	0.068	0.011	74.929	0.000	0.000	0.000	0.000	0.000	0.000
324	A	327	ALA	0	-0.043	0.029	76.305	0.000	0.000	0.000	0.000	0.000	0.000
325	A	328	HIS	0	-0.084	-0.065	71.890	0.000	0.000	0.000	0.000	0.000	0.000
326	A	329	ALA	0	0.019	0.007	70.011	0.000	0.000	0.000	0.000	0.000	0.000
327	A	330	PRO	0	0.049	0.031	68.893	0.000	0.000	0.000	0.000	0.000	0.000
328	A	331	PHE	0	-0.025	-0.018	66.312	0.000	0.000	0.000	0.000	0.000	0.000
329	A	332	ASP	-1	-0.827	-0.889	71.223	0.004	0.004	0.000	0.000	0.000	0.000
330	A	333	HIS	0	0.048	-0.003	74.733	0.000	0.000	0.000	0.000	0.000	0.000
331	A	334	VAL	0	-0.097	-0.034	71.806	0.000	0.000	0.000	0.000	0.000	0.000
332	A	335	ALA	0	-0.022	-0.013	75.247	0.000	0.000	0.000	0.000	0.000	0.000
333	A	336	LEU	0	0.026	0.024	77.756	0.000	0.000	0.000	0.000	0.000	0.000
334	A	337	GLU	-1	-0.927	-0.920	79.041	0.001	0.001	0.000	0.000	0.000	0.000
335	A	338	ASP	-1	-0.790	-0.873	80.808	0.001	0.001	0.000	0.000	0.000	0.000
336	A	339	LEU	0	-0.037	-0.051	80.725	0.000	0.000	0.000	0.000	0.000	0.000
337	A	340	LYN	0	-0.085	-0.022	81.130	0.000	0.000	0.000	0.000	0.000	0.000
338	A	341	ARG	1	0.947	0.946	84.744	0.000	0.000	0.000	0.000	0.000	0.000
339	A	342	GLU	-1	-0.914	-0.945	84.754	0.001	0.001	0.000	0.000	0.000	0.000
340	A	343	THR	0	-0.088	-0.086	86.780	0.000	0.000	0.000	0.000	0.000	0.000
341	A	344	GLU	-1	-0.918	-0.915	89.511	0.002	0.002	0.000	0.000	0.000	0.000
342	A	345	ILE	0	-0.003	-0.009	89.842	0.000	0.000	0.000	0.000	0.000	0.000
343	A	346	LEU	0	-0.088	-0.043	91.330	0.000	0.000	0.000	0.000	0.000	0.000
344	A	347	GLU	-1	-0.805	-0.899	86.280	0.002	0.002	0.000	0.000	0.000	0.000
345	A	348	LYS	1	0.763	0.857	86.058	-0.001	-0.001	0.000	0.000	0.000	0.000
346	A	349	TYR	0	-0.109	-0.051	87.696	0.000	0.000	0.000	0.000	0.000	0.000
347	A	350	ASP	-1	-0.909	-0.940	84.802	0.003	0.003	0.000	0.000	0.000	0.000
348	A	351	ILE	0	-0.075	-0.050	86.434	0.000	0.000	0.000	0.000	0.000	0.000
349	A	352	ASP	-1	-0.828	-0.915	81.040	0.004	0.004	0.000	0.000	0.000	0.000
350	A	353	PRO	0	-0.084	-0.029	81.897	0.000	0.000	0.000	0.000	0.000	0.000
351	A	354	ARG	1	0.927	0.929	76.362	-0.005	-0.005	0.000	0.000	0.000	0.000
352	A	355	ILE	0	-0.013	0.015	74.554	0.000	0.000	0.000	0.000	0.000	0.000
353	A	356	VAL	0	-0.039	-0.022	72.106	0.000	0.000	0.000	0.000	0.000	0.000
354	A	373	PHE	0	-0.008	-0.019	68.037	0.000	0.000	0.000	0.000	0.000	0.000
355	A	374	PRO	0	-0.015	-0.013	72.471	0.000	0.000	0.000	0.000	0.000	0.000
356	A	375	ALA	0	0.035	0.012	75.975	0.000	0.000	0.000	0.000	0.000	0.000
357	A	376	VAL	0	-0.005	0.013	76.884	0.000	0.000	0.000	0.000	0.000	0.000
358	A	377	GLU	-1	-0.771	-0.920	72.272	0.003	0.003	0.000	0.000	0.000	0.000
359	A	378	GLU	-1	-0.679	-0.814	74.918	0.002	0.002	0.000	0.000	0.000	0.000
360	A	379	VAL	0	-0.120	-0.068	73.798	0.000	0.000	0.000	0.000	0.000	0.000
361	A	380	ASN	0	-0.057	-0.031	68.717	0.000	0.000	0.000	0.000	0.000	0.000
362	A	381	LYS	1	0.851	0.932	70.521	-0.002	-0.002	0.000	0.000	0.000	0.000
363	A	382	LEU	0	-0.019	-0.012	71.950	0.000	0.000	0.000	0.000	0.000	0.000
364	A	383	GLY	0	-0.042	0.006	72.166	0.000	0.000	0.000	0.000	0.000	0.000
365	A	384	ILE	0	-0.041	-0.031	66.738	0.000	0.000	0.000	0.000	0.000	0.000
366	A	385	LYS	1	0.912	0.954	69.496	0.002	0.002	0.000	0.000	0.000	0.000
367	A	386	SER	0	0.014	0.005	70.449	0.000	0.000	0.000	0.000	0.000	0.000
368	A	387	GLN	0	-0.053	-0.026	71.866	0.000	0.000	0.000	0.000	0.000	0.000
369	A	388	LYS	1	0.912	0.950	74.463	-0.001	-0.001	0.000	0.000	0.000	0.000
370	A	389	ASP	-1	-0.825	-0.911	70.927	0.001	0.001	0.000	0.000	0.000	0.000
371	A	390	LYS	1	0.847	0.906	67.950	0.000	0.000	0.000	0.000	0.000	0.000
372	A	391	GLU	-1	-0.686	-0.822	62.646	0.000	0.000	0.000	0.000	0.000	0.000
373	A	392	LYS	1	0.836	0.914	61.361	0.001	0.001	0.000	0.000	0.000	0.000
374	A	393	LEU	0	0.052	0.023	64.135	0.000	0.000	0.000	0.000	0.000	0.000
375	A	394	GLU	-1	-0.975	-0.979	60.935	0.003	0.003	0.000	0.000	0.000	0.000
376	A	395	GLN	0	-0.064	-0.029	60.089	0.000	0.000	0.000	0.000	0.000	0.000
377	A	396	ALA	0	-0.011	-0.009	61.994	0.000	0.000	0.000	0.000	0.000	0.000
378	A	397	THR	0	0.061	0.028	64.886	0.000	0.000	0.000	0.000	0.000	0.000
379	A	398	LYS	1	0.898	0.936	60.556	-0.006	-0.006	0.000	0.000	0.000	0.000
380	A	399	THR	0	-0.042	-0.016	62.535	0.000	0.000	0.000	0.000	0.000	0.000
381	A	400	ILE	0	0.028	0.008	63.539	0.000	0.000	0.000	0.000	0.000	0.000
382	A	401	TYR	0	-0.046	-0.015	61.326	0.000	0.000	0.000	0.000	0.000	0.000
383	A	402	LYS	1	0.881	0.939	58.383	-0.007	-0.007	0.000	0.000	0.000	0.000
384	A	403	ALA	0	0.059	0.022	63.270	0.000	0.000	0.000	0.000	0.000	0.000
385	A	404	GLU	-1	-0.835	-0.930	65.482	0.006	0.006	0.000	0.000	0.000	0.000
386	A	405	TYR	0	-0.068	-0.030	61.494	0.000	0.000	0.000	0.000	0.000	0.000
387	A	406	HIS	0	-0.003	-0.023	59.592	0.000	0.000	0.000	0.000	0.000	0.000
388	A	407	LYS	1	0.887	0.954	64.447	-0.005	-0.005	0.000	0.000	0.000	0.000
389	A	408	GLY	0	0.080	0.037	67.415	0.000	0.000	0.000	0.000	0.000	0.000
390	A	409	ILE	0	-0.059	-0.012	70.250	0.000	0.000	0.000	0.000	0.000	0.000
391	A	410	PHE	0	0.013	0.015	73.373	0.000	0.000	0.000	0.000	0.000	0.000
392	A	411	LYS	1	0.963	0.971	75.345	-0.005	-0.005	0.000	0.000	0.000	0.000
393	A	412	VAL	0	0.003	0.005	78.022	0.000	0.000	0.000	0.000	0.000	0.000
394	A	413	PRO	0	0.031	0.024	80.710	0.000	0.000	0.000	0.000	0.000	0.000
395	A	414	PRO	0	-0.014	-0.009	79.911	0.000	0.000	0.000	0.000	0.000	0.000
396	A	415	TYR	0	0.037	0.014	75.782	0.000	0.000	0.000	0.000	0.000	0.000
397	A	416	GLU	-1	-0.832	-0.914	77.766	0.006	0.006	0.000	0.000	0.000	0.000
398	A	417	GLY	0	-0.078	-0.050	76.415	0.000	0.000	0.000	0.000	0.000	0.000
399	A	418	LYS	1	0.917	0.954	71.918	-0.009	-0.009	0.000	0.000	0.000	0.000
400	A	419	PRO	0	0.031	0.024	67.782	0.000	0.000	0.000	0.000	0.000	0.000
401	A	420	VAL	0	0.083	0.040	67.481	0.000	0.000	0.000	0.000	0.000	0.000
402	A	421	GLN	0	-0.105	-0.043	62.059	0.000	0.000	0.000	0.000	0.000	0.000
403	A	422	GLU	-1	-0.867	-0.951	66.141	0.011	0.011	0.000	0.000	0.000	0.000
404	A	423	VAL	0	0.056	0.027	68.899	0.000	0.000	0.000	0.000	0.000	0.000
405	A	424	LYS	1	0.795	0.902	64.543	-0.009	-0.009	0.000	0.000	0.000	0.000
406	A	425	GLU	-1	-0.862	-0.943	64.932	0.013	0.013	0.000	0.000	0.000	0.000
407	A	426	ALA	0	-0.073	-0.020	68.305	0.000	0.000	0.000	0.000	0.000	0.000
408	A	427	ILE	0	-0.011	0.006	71.871	0.000	0.000	0.000	0.000	0.000	0.000
409	A	428	ALA	0	0.029	0.018	68.511	0.000	0.000	0.000	0.000	0.000	0.000
410	A	429	LYS	1	0.905	0.954	69.264	-0.011	-0.011	0.000	0.000	0.000	0.000
411	A	430	GLU	-1	-0.895	-0.945	70.585	0.010	0.010	0.000	0.000	0.000	0.000
412	A	431	MET	0	-0.030	-0.026	73.210	0.000	0.000	0.000	0.000	0.000	0.000
413	A	432	LEU	0	-0.022	-0.007	68.609	0.000	0.000	0.000	0.000	0.000	0.000
414	A	433	GLU	-1	-0.916	-0.941	71.473	0.013	0.013	0.000	0.000	0.000	0.000
415	A	434	LYS	1	0.811	0.923	73.970	-0.008	-0.008	0.000	0.000	0.000	0.000
416	A	435	GLY	0	0.002	0.000	74.963	0.000	0.000	0.000	0.000	0.000	0.000
417	A	436	ILE	0	-0.085	-0.045	76.019	0.000	0.000	0.000	0.000	0.000	0.000
418	A	437	ALA	0	0.004	-0.015	72.198	0.000	0.000	0.000	0.000	0.000	0.000
419	A	438	GLU	-1	-0.819	-0.901	70.097	0.010	0.010	0.000	0.000	0.000	0.000
420	A	439	ILE	0	0.046	0.014	63.831	0.000	0.000	0.000	0.000	0.000	0.000
421	A	440	MET	0	-0.061	0.005	64.956	0.000	0.000	0.000	0.000	0.000	0.000
422	A	441	TYR	0	-0.062	-0.031	59.864	0.000	0.000	0.000	0.000	0.000	0.000
423	A	442	GLU	-1	-0.844	-0.943	60.224	0.008	0.008	0.000	0.000	0.000	0.000
424	A	443	PHE	0	-0.002	0.000	53.793	0.000	0.000	0.000	0.000	0.000	0.000
425	A	444	ALA	0	-0.011	-0.012	55.473	0.000	0.000	0.000	0.000	0.000	0.000
426	A	445	GLU	-1	-0.890	-0.949	54.633	0.003	0.003	0.000	0.000	0.000	0.000
427	A	446	LYS	1	0.876	0.925	56.775	-0.004	-0.004	0.000	0.000	0.000	0.000
428	A	447	ASN	0	-0.062	-0.014	51.567	0.000	0.000	0.000	0.000	0.000	0.000
429	A	448	VAL	0	0.035	0.024	51.628	0.001	0.001	0.000	0.000	0.000	0.000
430	A	449	ILE	0	-0.011	0.000	50.950	0.000	0.000	0.000	0.000	0.000	0.000
431	A	450	SER	0	-0.038	-0.042	50.317	0.001	0.001	0.000	0.000	0.000	0.000
432	A	451	ARG	1	0.997	1.003	42.934	-0.012	-0.012	0.000	0.000	0.000	0.000
433	A	452	PHE	0	-0.106	-0.052	48.462	-0.001	-0.001	0.000	0.000	0.000	0.000
434	A	453	GLY	0	0.069	0.019	50.662	-0.001	-0.001	0.000	0.000	0.000	0.000
435	A	454	ASN	0	-0.045	-0.001	52.864	-0.001	-0.001	0.000	0.000	0.000	0.000
436	A	455	ARG	1	0.893	0.939	54.329	-0.006	-0.006	0.000	0.000	0.000	0.000
437	A	456	ALA	0	0.001	-0.008	53.322	0.000	0.000	0.000	0.000	0.000	0.000
438	A	457	VAL	0	-0.019	-0.003	55.480	-0.001	-0.001	0.000	0.000	0.000	0.000
439	A	458	ILE	0	-0.007	-0.008	56.512	0.001	0.001	0.000	0.000	0.000	0.000
440	A	459	LYS	1	0.900	0.956	57.794	-0.014	-0.014	0.000	0.000	0.000	0.000
441	A	460	ILE	0	-0.024	0.002	58.612	0.001	0.001	0.000	0.000	0.000	0.000
442	A	461	ILE	0	-0.092	-0.046	56.618	0.000	0.000	0.000	0.000	0.000	0.000
443	A	462	HIS	0	0.021	0.010	60.046	0.001	0.001	0.000	0.000	0.000	0.000
444	A	463	ASP	-1	-0.863	-0.919	60.356	0.018	0.018	0.000	0.000	0.000	0.000
445	A	464	GLN	0	0.012	-0.024	53.601	0.000	0.000	0.000	0.000	0.000	0.000
446	A	465	TRP	0	-0.024	-0.018	55.287	0.000	0.000	0.000	0.000	0.000	0.000
447	A	466	PHE	0	-0.017	-0.006	54.456	0.000	0.000	0.000	0.000	0.000	0.000
448	A	467	ILE	0	0.048	0.015	49.984	0.000	0.000	0.000	0.000	0.000	0.000
449	A	468	ASP	-1	-0.794	-0.908	53.452	0.022	0.022	0.000	0.000	0.000	0.000
450	A	469	TYR	0	-0.085	-0.045	48.024	0.001	0.001	0.000	0.000	0.000	0.000
451	A	470	GLY	0	0.070	0.023	53.112	0.000	0.000	0.000	0.000	0.000	0.000
452	A	471	ASN	0	0.014	-0.026	56.281	0.000	0.000	0.000	0.000	0.000	0.000
453	A	472	PRO	0	0.038	0.008	57.268	0.001	0.001	0.000	0.000	0.000	0.000
454	A	473	GLU	-1	-0.846	-0.893	58.073	0.025	0.025	0.000	0.000	0.000	0.000
455	A	474	TRP	0	-0.072	-0.041	50.750	0.001	0.001	0.000	0.000	0.000	0.000
456	A	475	LYS	1	0.723	0.877	52.780	-0.024	-0.024	0.000	0.000	0.000	0.000
457	A	476	GLU	-1	-0.840	-0.900	53.670	0.027	0.027	0.000	0.000	0.000	0.000
458	A	477	LYS	1	0.910	0.958	53.123	-0.032	-0.032	0.000	0.000	0.000	0.000
459	A	478	ALA	0	0.026	0.006	49.196	0.002	0.002	0.000	0.000	0.000	0.000
460	A	479	ARG	1	0.867	0.922	49.508	-0.025	-0.025	0.000	0.000	0.000	0.000
461	A	480	LYS	1	0.831	0.925	50.292	-0.032	-0.032	0.000	0.000	0.000	0.000
462	A	481	ALA	0	-0.022	-0.016	47.397	0.001	0.001	0.000	0.000	0.000	0.000
463	A	482	LEU	0	-0.006	-0.011	44.623	0.002	0.002	0.000	0.000	0.000	0.000
464	A	483	GLU	-1	-0.823	-0.904	45.075	0.035	0.035	0.000	0.000	0.000	0.000
465	A	484	ARG	1	0.817	0.894	46.767	-0.035	-0.035	0.000	0.000	0.000	0.000
466	A	485	MET	0	-0.093	-0.014	41.454	0.003	0.003	0.000	0.000	0.000	0.000
467	A	486	LYS	1	0.977	0.985	36.842	-0.068	-0.068	0.000	0.000	0.000	0.000
468	A	487	ILE	0	-0.003	0.015	38.244	0.002	0.002	0.000	0.000	0.000	0.000
469	A	488	LEU	0	-0.011	0.015	32.365	0.001	0.001	0.000	0.000	0.000	0.000
470	A	489	PRO	0	0.045	-0.009	33.504	0.002	0.002	0.000	0.000	0.000	0.000
471	A	490	GLU	-1	-0.702	-0.816	35.292	0.045	0.045	0.000	0.000	0.000	0.000
472	A	491	THR	0	-0.037	-0.009	37.600	-0.001	-0.001	0.000	0.000	0.000	0.000
473	A	492	ARG	1	0.821	0.887	35.995	-0.040	-0.040	0.000	0.000	0.000	0.000
474	A	493	ARG	1	0.786	0.889	40.195	-0.043	-0.043	0.000	0.000	0.000	0.000
475	A	494	ALA	0	0.066	0.022	42.977	-0.001	-0.001	0.000	0.000	0.000	0.000
476	A	495	GLN	0	0.000	-0.009	40.349	0.001	0.001	0.000	0.000	0.000	0.000
477	A	496	PHE	0	0.044	0.012	38.951	0.000	0.000	0.000	0.000	0.000	0.000
478	A	497	GLU	-1	-0.847	-0.922	44.325	0.031	0.031	0.000	0.000	0.000	0.000
479	A	498	ALA	0	0.000	-0.008	47.180	-0.001	-0.001	0.000	0.000	0.000	0.000
480	A	499	ILE	0	-0.055	-0.030	44.837	-0.001	-0.001	0.000	0.000	0.000	0.000
481	A	500	ILE	0	-0.051	-0.019	47.100	0.000	0.000	0.000	0.000	0.000	0.000
482	A	501	ASP	-1	-0.856	-0.904	49.600	0.024	0.024	0.000	0.000	0.000	0.000
483	A	502	TRP	0	-0.024	-0.005	50.653	-0.001	-0.001	0.000	0.000	0.000	0.000
484	A	503	LEU	0	-0.060	-0.037	48.196	0.000	0.000	0.000	0.000	0.000	0.000
485	A	504	ASP	-1	-0.823	-0.913	51.692	0.021	0.021	0.000	0.000	0.000	0.000
486	A	505	LYS	1	0.814	0.909	53.496	-0.019	-0.019	0.000	0.000	0.000	0.000
487	A	506	LYS	1	0.823	0.903	45.369	-0.032	-0.032	0.000	0.000	0.000	0.000
488	A	507	ALA	0	0.029	0.003	51.447	0.000	0.000	0.000	0.000	0.000	0.000
489	A	508	CYS	0	-0.039	0.009	49.722	0.001	0.001	0.000	0.000	0.000	0.000
490	A	509	ALA	0	-0.006	-0.008	50.188	0.001	0.001	0.000	0.000	0.000	0.000
491	A	510	ARG	1	0.841	0.917	47.605	-0.024	-0.024	0.000	0.000	0.000	0.000
492	A	511	LYS	1	0.922	0.955	50.910	-0.020	-0.020	0.000	0.000	0.000	0.000
493	A	512	ILE	0	0.008	0.014	47.296	0.000	0.000	0.000	0.000	0.000	0.000
494	A	513	GLY	0	0.001	-0.018	45.172	0.001	0.001	0.000	0.000	0.000	0.000
495	A	514	LEU	0	-0.018	-0.004	42.719	0.000	0.000	0.000	0.000	0.000	0.000
496	A	515	GLY	0	0.043	-0.012	44.594	0.001	0.001	0.000	0.000	0.000	0.000
497	A	516	THR	0	-0.035	-0.026	45.519	0.000	0.000	0.000	0.000	0.000	0.000
498	A	517	PRO	0	0.013	-0.008	47.956	0.000	0.000	0.000	0.000	0.000	0.000
499	A	518	LEU	0	0.049	0.027	51.659	0.001	0.001	0.000	0.000	0.000	0.000
500	A	519	PRO	0	-0.007	0.016	53.127	-0.001	-0.001	0.000	0.000	0.000	0.000
501	A	520	TRP	0	-0.041	-0.034	54.949	0.000	0.000	0.000	0.000	0.000	0.000
502	A	521	ASP	-1	-0.784	-0.904	57.740	0.020	0.020	0.000	0.000	0.000	0.000
503	A	522	PRO	0	-0.011	0.004	55.679	0.000	0.000	0.000	0.000	0.000	0.000
504	A	523	GLU	-1	-0.897	-0.928	55.387	0.019	0.019	0.000	0.000	0.000	0.000
505	A	524	TRP	0	-0.088	-0.054	53.680	0.000	0.000	0.000	0.000	0.000	0.000
506	A	525	VAL	0	0.012	0.023	47.972	0.001	0.001	0.000	0.000	0.000	0.000
507	A	526	ILE	0	-0.008	-0.004	47.052	0.000	0.000	0.000	0.000	0.000	0.000
508	A	527	GLU	-1	-0.819	-0.871	45.870	0.034	0.034	0.000	0.000	0.000	0.000
509	A	528	SER	0	0.107	0.032	40.772	0.000	0.000	0.000	0.000	0.000	0.000
510	A	529	LEU	0	-0.053	-0.021	40.371	0.002	0.002	0.000	0.000	0.000	0.000
511	A	530	SER	0	-0.011	-0.021	42.648	0.000	0.000	0.000	0.000	0.000	0.000
512	A	531	ASP	-1	-0.795	-0.891	42.494	0.047	0.047	0.000	0.000	0.000	0.000
513	A	532	SER	0	-0.051	-0.027	39.334	0.003	0.003	0.000	0.000	0.000	0.000
514	A	533	THR	0	-0.013	-0.017	40.924	0.002	0.002	0.000	0.000	0.000	0.000
515	A	534	ILE	0	0.060	0.013	42.546	0.002	0.002	0.000	0.000	0.000	0.000
516	A	535	TYR	0	0.063	0.046	34.560	0.000	0.000	0.000	0.000	0.000	0.000
517	A	536	MET	0	-0.056	-0.004	37.911	0.004	0.004	0.000	0.000	0.000	0.000
518	A	537	ALA	0	0.069	0.052	38.974	0.005	0.005	0.000	0.000	0.000	0.000
519	A	538	TYR	0	0.043	0.025	39.642	-0.001	-0.001	0.000	0.000	0.000	0.000
520	A	539	TYR	0	0.065	0.015	32.909	0.000	0.000	0.000	0.000	0.000	0.000
521	A	540	THR	0	0.008	0.014	38.096	0.003	0.003	0.000	0.000	0.000	0.000
522	A	541	ILE	0	0.029	0.011	39.926	0.000	0.000	0.000	0.000	0.000	0.000
523	A	542	SER	0	-0.075	-0.034	37.638	0.001	0.001	0.000	0.000	0.000	0.000
524	A	543	ARG	1	0.836	0.919	33.279	-0.103	-0.103	0.000	0.000	0.000	0.000
525	A	544	HIS	0	0.017	-0.024	38.362	-0.001	-0.001	0.000	0.000	0.000	0.000
526	A	545	ILE	0	0.015	0.018	41.628	-0.003	-0.003	0.000	0.000	0.000	0.000
527	A	546	ASN	0	-0.043	-0.039	36.455	-0.007	-0.007	0.000	0.000	0.000	0.000
528	A	547	LYS	1	0.839	0.922	40.055	-0.065	-0.065	0.000	0.000	0.000	0.000
529	A	548	LEU	0	0.036	0.010	41.134	-0.002	-0.002	0.000	0.000	0.000	0.000
530	A	549	ARG	1	0.887	0.951	40.897	-0.056	-0.056	0.000	0.000	0.000	0.000
531	A	550	GLN	0	-0.076	-0.019	38.302	0.002	0.002	0.000	0.000	0.000	0.000
532	A	551	GLU	-1	-0.861	-0.939	41.924	0.056	0.056	0.000	0.000	0.000	0.000
533	A	552	GLY	0	0.010	0.011	45.082	-0.002	-0.002	0.000	0.000	0.000	0.000
534	A	553	LYS	1	0.854	0.943	47.487	-0.045	-0.045	0.000	0.000	0.000	0.000
535	A	554	LEU	0	0.005	0.001	45.903	0.000	0.000	0.000	0.000	0.000	0.000
536	A	555	ASP	-1	-0.835	-0.925	49.310	0.034	0.034	0.000	0.000	0.000	0.000
537	A	556	PRO	0	-0.013	-0.027	48.542	0.000	0.000	0.000	0.000	0.000	0.000
538	A	557	GLU	-1	-0.815	-0.911	50.564	0.033	0.033	0.000	0.000	0.000	0.000
539	A	558	LYS	1	0.845	0.972	53.132	-0.032	-0.032	0.000	0.000	0.000	0.000
540	A	559	LEU	0	-0.081	-0.016	47.859	0.001	0.001	0.000	0.000	0.000	0.000
541	A	560	THR	0	0.069	0.015	52.067	0.000	0.000	0.000	0.000	0.000	0.000
542	A	561	PRO	0	0.014	-0.009	53.933	0.001	0.001	0.000	0.000	0.000	0.000
543	A	562	GLU	-1	-0.797	-0.871	55.090	0.033	0.033	0.000	0.000	0.000	0.000
544	A	563	PHE	0	0.039	0.003	49.107	0.001	0.001	0.000	0.000	0.000	0.000
545	A	564	PHE	0	0.010	-0.021	47.046	0.001	0.001	0.000	0.000	0.000	0.000
546	A	565	ASP	-1	-0.749	-0.835	51.020	0.037	0.037	0.000	0.000	0.000	0.000
547	A	566	TYR	0	0.004	-0.019	52.735	0.000	0.000	0.000	0.000	0.000	0.000
548	A	567	ILE	0	-0.069	-0.031	47.695	0.001	0.001	0.000	0.000	0.000	0.000
549	A	568	PHE	0	0.001	-0.023	44.981	0.003	0.003	0.000	0.000	0.000	0.000
550	A	569	LEU	0	-0.092	-0.042	49.746	0.000	0.000	0.000	0.000	0.000	0.000
551	A	570	GLU	-1	-0.844	-0.921	53.103	0.034	0.034	0.000	0.000	0.000	0.000
552	A	571	GLU	-1	-0.830	-0.900	54.358	0.041	0.041	0.000	0.000	0.000	0.000
553	A	572	PHE	0	-0.011	-0.029	48.896	-0.001	-0.001	0.000	0.000	0.000	0.000
554	A	573	SER	0	-0.011	0.012	55.151	-0.001	-0.001	0.000	0.000	0.000	0.000
555	A	574	GLU	-1	-0.916	-0.968	56.946	0.037	0.037	0.000	0.000	0.000	0.000
556	A	575	ASP	-1	-0.880	-0.944	58.021	0.032	0.032	0.000	0.000	0.000	0.000
557	A	576	LYS	1	0.797	0.895	57.467	-0.033	-0.033	0.000	0.000	0.000	0.000
558	A	577	GLU	-1	-0.739	-0.836	53.144	0.044	0.044	0.000	0.000	0.000	0.000
559	A	578	LYS	1	0.928	0.934	56.076	-0.037	-0.037	0.000	0.000	0.000	0.000
560	A	579	GLU	-1	-0.874	-0.907	58.715	0.030	0.030	0.000	0.000	0.000	0.000
561	A	580	LEU	0	0.016	-0.009	54.437	-0.001	-0.001	0.000	0.000	0.000	0.000
562	A	581	GLU	-1	-0.789	-0.850	55.323	0.037	0.037	0.000	0.000	0.000	0.000
563	A	582	LYS	1	0.800	0.885	56.221	-0.032	-0.032	0.000	0.000	0.000	0.000
564	A	583	LYS	1	0.780	0.871	58.517	-0.030	-0.030	0.000	0.000	0.000	0.000
565	A	584	THR	0	-0.044	-0.054	53.266	0.000	0.000	0.000	0.000	0.000	0.000
566	A	585	GLY	0	-0.014	-0.010	54.341	0.000	0.000	0.000	0.000	0.000	0.000
567	A	586	ILE	0	-0.061	-0.039	49.273	0.002	0.002	0.000	0.000	0.000	0.000
568	A	587	PRO	0	0.012	0.005	50.016	-0.001	-0.001	0.000	0.000	0.000	0.000
569	A	588	ALA	0	0.061	0.030	51.654	0.001	0.001	0.000	0.000	0.000	0.000
570	A	589	GLU	-1	-0.878	-0.949	50.144	0.045	0.045	0.000	0.000	0.000	0.000
571	A	590	ILE	0	0.000	-0.004	45.492	0.002	0.002	0.000	0.000	0.000	0.000
572	A	591	ILE	0	-0.007	-0.003	47.244	0.002	0.002	0.000	0.000	0.000	0.000
573	A	592	HIS	1	0.817	0.897	48.642	-0.047	-0.047	0.000	0.000	0.000	0.000
574	A	593	GLU	-1	-0.822	-0.897	42.545	0.068	0.068	0.000	0.000	0.000	0.000
575	A	594	MET	0	-0.025	-0.007	44.326	0.002	0.002	0.000	0.000	0.000	0.000
576	A	595	LYS	1	0.780	0.899	44.777	-0.043	-0.043	0.000	0.000	0.000	0.000
577	A	596	GLU	-1	-0.899	-0.944	45.266	0.057	0.057	0.000	0.000	0.000	0.000
578	A	597	GLU	-1	-0.783	-0.892	39.225	0.085	0.085	0.000	0.000	0.000	0.000
579	A	598	PHE	0	-0.043	-0.012	42.446	0.002	0.002	0.000	0.000	0.000	0.000
580	A	599	GLU	-1	-0.774	-0.866	43.486	0.050	0.050	0.000	0.000	0.000	0.000
581	A	600	TYR	0	-0.076	-0.045	37.801	0.001	0.001	0.000	0.000	0.000	0.000
582	A	601	TRP	0	-0.033	-0.045	35.105	0.002	0.002	0.000	0.000	0.000	0.000
583	A	602	TYR	0	-0.024	-0.014	39.421	0.003	0.003	0.000	0.000	0.000	0.000
584	A	603	PRO	0	-0.020	-0.024	42.014	-0.001	-0.001	0.000	0.000	0.000	0.000
585	A	604	LEU	0	-0.041	-0.017	35.347	0.003	0.003	0.000	0.000	0.000	0.000
586	A	605	ASP	-1	-0.851	-0.903	35.557	0.079	0.079	0.000	0.000	0.000	0.000
587	A	606	TRP	0	0.041	0.020	33.308	-0.003	-0.003	0.000	0.000	0.000	0.000
588	A	607	ARG	1	0.885	0.928	34.376	-0.069	-0.069	0.000	0.000	0.000	0.000
589	A	608	CYS	0	0.012	0.002	29.970	-0.002	-0.002	0.000	0.000	0.000	0.000
590	A	609	SER	0	0.005	-0.020	31.671	-0.001	-0.001	0.000	0.000	0.000	0.000
591	A	610	GLY	0	0.023	0.045	31.319	0.001	0.001	0.000	0.000	0.000	0.000
592	A	611	LYS	1	0.857	0.889	32.127	-0.040	-0.040	0.000	0.000	0.000	0.000
593	A	612	ASP	-1	-0.891	-0.956	34.075	0.045	0.045	0.000	0.000	0.000	0.000
594	A	613	LEU	0	0.001	0.006	35.322	-0.002	-0.002	0.000	0.000	0.000	0.000
595	A	614	ILE	0	0.045	0.030	37.197	0.001	0.001	0.000	0.000	0.000	0.000
596	A	615	PRO	0	-0.064	-0.018	39.740	-0.001	-0.001	0.000	0.000	0.000	0.000
597	A	616	ASN	0	0.011	0.002	40.285	0.001	0.001	0.000	0.000	0.000	0.000
598	A	617	HIS	0	0.083	0.069	37.612	0.004	0.004	0.000	0.000	0.000	0.000
599	A	618	LEU	0	-0.005	-0.005	35.881	0.001	0.001	0.000	0.000	0.000	0.000
600	A	619	THR	0	0.038	0.000	40.048	0.001	0.001	0.000	0.000	0.000	0.000
601	A	620	PHE	0	-0.016	-0.020	43.754	0.000	0.000	0.000	0.000	0.000	0.000
602	A	621	PHE	0	-0.049	-0.020	39.689	0.001	0.001	0.000	0.000	0.000	0.000
603	A	622	ILE	0	0.008	0.002	43.020	0.001	0.001	0.000	0.000	0.000	0.000
604	A	623	PHE	0	0.032	0.008	45.091	-0.001	-0.001	0.000	0.000	0.000	0.000
605	A	624	ASN	0	0.067	0.030	46.298	-0.001	-0.001	0.000	0.000	0.000	0.000
606	A	625	HIS	0	-0.006	0.023	42.199	0.002	0.002	0.000	0.000	0.000	0.000
607	A	626	VAL	0	-0.061	-0.029	47.138	0.000	0.000	0.000	0.000	0.000	0.000
608	A	627	ALA	0	-0.066	-0.024	50.060	-0.002	-0.002	0.000	0.000	0.000	0.000
609	A	628	ILE	0	-0.019	-0.006	49.625	-0.001	-0.001	0.000	0.000	0.000	0.000
610	A	629	PHE	0	0.004	0.002	45.680	0.000	0.000	0.000	0.000	0.000	0.000
611	A	630	ARG	1	0.849	0.906	49.844	-0.044	-0.044	0.000	0.000	0.000	0.000
612	A	631	GLU	-1	-0.783	-0.892	50.327	0.035	0.035	0.000	0.000	0.000	0.000
613	A	632	GLU	-1	-0.965	-0.975	48.819	0.048	0.048	0.000	0.000	0.000	0.000
614	A	633	HIS	1	0.793	0.862	45.816	-0.048	-0.048	0.000	0.000	0.000	0.000
615	A	634	TRP	0	-0.008	0.033	45.101	0.001	0.001	0.000	0.000	0.000	0.000
616	A	635	PRO	0	0.014	0.004	40.881	0.002	0.002	0.000	0.000	0.000	0.000
617	A	636	LYS	1	0.865	0.928	40.046	-0.058	-0.058	0.000	0.000	0.000	0.000
618	A	637	GLY	0	-0.022	-0.014	38.281	-0.001	-0.001	0.000	0.000	0.000	0.000
619	A	638	ILE	0	-0.040	-0.014	36.321	0.003	0.003	0.000	0.000	0.000	0.000
620	A	639	ALA	0	0.008	0.008	31.737	-0.002	-0.002	0.000	0.000	0.000	0.000
621	A	640	VAL	0	-0.015	-0.016	32.350	0.001	0.001	0.000	0.000	0.000	0.000
622	A	641	ASN	0	-0.003	-0.036	27.773	0.007	0.007	0.000	0.000	0.000	0.000
623	A	642	GLY	0	-0.071	-0.022	29.092	-0.004	-0.004	0.000	0.000	0.000	0.000
624	A	643	PHE	0	-0.041	-0.038	28.317	0.006	0.006	0.000	0.000	0.000	0.000
625	A	644	GLY	0	0.039	0.009	24.499	0.003	0.003	0.000	0.000	0.000	0.000
626	A	645	THR	0	-0.133	-0.111	24.618	0.000	0.000	0.000	0.000	0.000	0.000
627	A	646	LEU	0	-0.023	-0.025	19.483	0.006	0.006	0.000	0.000	0.000	0.000
628	A	647	GLU	-1	-0.836	-0.898	18.500	-0.060	-0.060	0.000	0.000	0.000	0.000
629	A	648	GLY	0	0.002	0.003	22.645	-0.004	-0.004	0.000	0.000	0.000	0.000
630	A	649	GLN	0	-0.019	-0.022	26.124	0.007	0.007	0.000	0.000	0.000	0.000
631	A	650	LYS	1	0.932	0.971	26.467	-0.027	-0.027	0.000	0.000	0.000	0.000
632	A	651	MET	0	-0.052	0.004	23.590	-0.003	-0.003	0.000	0.000	0.000	0.000
633	A	652	SER	0	0.000	0.000	27.301	0.003	0.003	0.000	0.000	0.000	0.000
634	A	653	LYS	1	0.991	0.984	29.313	-0.034	-0.034	0.000	0.000	0.000	0.000
635	A	654	SER	0	0.023	0.008	30.337	-0.001	-0.001	0.000	0.000	0.000	0.000
636	A	655	LYS	1	0.911	0.962	29.642	-0.001	-0.001	0.000	0.000	0.000	0.000
637	A	656	GLY	0	0.047	0.039	27.849	-0.004	-0.004	0.000	0.000	0.000	0.000
638	A	657	ASN	0	-0.040	-0.018	24.441	0.002	0.002	0.000	0.000	0.000	0.000
639	A	658	VAL	0	0.010	-0.024	23.901	0.005	0.005	0.000	0.000	0.000	0.000
640	A	659	LEU	0	0.045	0.040	16.073	-0.003	-0.003	0.000	0.000	0.000	0.000
641	A	660	ASN	0	-0.026	-0.044	20.249	0.012	0.012	0.000	0.000	0.000	0.000
642	A	661	PHE	0	0.031	0.007	17.461	0.000	0.000	0.000	0.000	0.000	0.000
643	A	662	ILE	0	0.115	0.041	17.027	0.010	0.010	0.000	0.000	0.000	0.000
644	A	663	ASP	-1	-0.823	-0.900	16.322	0.017	0.017	0.000	0.000	0.000	0.000
645	A	664	ALA	0	0.008	0.011	14.683	-0.021	-0.021	0.000	0.000	0.000	0.000
646	A	665	ILE	0	-0.036	-0.017	12.937	-0.001	-0.001	0.000	0.000	0.000	0.000
647	A	666	GLU	-1	-0.792	-0.879	11.762	0.196	0.196	0.000	0.000	0.000	0.000
648	A	667	GLU	-1	-0.963	-0.969	10.177	-0.093	-0.093	0.000	0.000	0.000	0.000
649	A	668	ASN	0	-0.103	-0.057	8.002	-0.108	-0.108	0.000	0.000	0.000	0.000
650	A	669	GLY	0	0.005	0.006	7.980	0.083	0.083	0.000	0.000	0.000	0.000
651	A	670	ALA	0	0.042	0.021	9.582	-0.029	-0.029	0.000	0.000	0.000	0.000
652	A	671	ASP	-1	-0.738	-0.869	9.566	0.867	0.867	0.000	0.000	0.000	0.000
653	A	672	VAL	0	-0.017	0.002	6.997	-0.084	-0.084	0.000	0.000	0.000	0.000
654	A	673	VAL	0	-0.001	0.002	10.069	-0.095	-0.095	0.000	0.000	0.000	0.000
655	A	674	ARG	1	0.735	0.837	13.287	-0.401	-0.401	0.000	0.000	0.000	0.000
656	A	675	LEU	0	0.028	0.018	12.792	-0.064	-0.064	0.000	0.000	0.000	0.000
657	A	676	TYR	0	-0.005	-0.045	13.329	-0.057	-0.057	0.000	0.000	0.000	0.000
658	A	677	ILE	0	-0.009	-0.003	15.027	-0.038	-0.038	0.000	0.000	0.000	0.000
659	A	678	MET	0	-0.042	0.007	18.403	-0.027	-0.027	0.000	0.000	0.000	0.000
660	A	679	SER	0	0.006	0.014	16.567	-0.022	-0.022	0.000	0.000	0.000	0.000
661	A	680	LEU	0	-0.031	-0.017	18.612	-0.020	-0.020	0.000	0.000	0.000	0.000
662	A	681	ALA	0	-0.026	-0.008	21.182	-0.012	-0.012	0.000	0.000	0.000	0.000
663	A	682	GLU	-1	-0.800	-0.877	24.369	0.084	0.084	0.000	0.000	0.000	0.000
664	A	683	HIS	0	0.078	0.033	26.974	-0.009	-0.009	0.000	0.000	0.000	0.000
665	A	684	ASP	-1	-0.774	-0.858	29.679	0.044	0.044	0.000	0.000	0.000	0.000
666	A	685	SER	0	0.014	0.027	28.453	-0.006	-0.006	0.000	0.000	0.000	0.000
667	A	686	ASP	-1	-0.821	-0.885	27.994	0.043	0.043	0.000	0.000	0.000	0.000
668	A	687	PHE	0	-0.009	0.010	20.710	0.001	0.001	0.000	0.000	0.000	0.000
669	A	688	ASP	-1	-0.748	-0.850	23.023	-0.004	-0.004	0.000	0.000	0.000	0.000
670	A	689	TRP	0	0.015	0.015	14.220	0.006	0.006	0.000	0.000	0.000	0.000
671	A	690	ARG	1	0.887	0.921	17.994	0.030	0.030	0.000	0.000	0.000	0.000
672	A	691	ARG	1	0.994	0.980	13.330	0.112	0.112	0.000	0.000	0.000	0.000
673	A	692	LYS	1	0.926	0.949	13.141	0.125	0.125	0.000	0.000	0.000	0.000
674	A	693	GLU	-1	-0.817	-0.883	12.920	-0.042	-0.042	0.000	0.000	0.000	0.000
675	A	694	VAL	0	0.064	0.044	11.150	-0.002	-0.002	0.000	0.000	0.000	0.000
676	A	695	GLY	0	0.038	0.028	8.905	0.000	0.000	0.000	0.000	0.000	0.000
677	A	696	LYS	1	0.821	0.891	8.361	0.033	0.033	0.000	0.000	0.000	0.000
678	A	697	LEU	0	0.005	0.018	10.171	-0.033	-0.033	0.000	0.000	0.000	0.000
679	A	698	ARG	1	0.877	0.937	2.026	1.308	1.883	2.086	-0.910	-1.751	-0.001
680	A	699	LYS	1	0.947	0.982	5.315	0.826	0.826	0.000	0.000	0.000	0.000
681	A	700	GLN	0	-0.025	-0.007	6.407	0.032	0.032	0.000	0.000	0.000	0.000
682	A	701	ILE	0	0.049	0.034	6.202	0.029	0.029	0.000	0.000	0.000	0.000
683	A	702	GLU	-1	-0.795	-0.901	2.369	-7.767	-3.582	3.324	-3.352	-4.155	-0.040
684	A	703	ARG	1	0.854	0.922	5.166	0.485	0.552	-0.001	-0.002	-0.063	0.000
685	A	704	PHE	0	0.018	-0.001	8.032	0.051	0.051	0.000	0.000	0.000	0.000
686	A	705	TYR	0	0.039	0.007	4.190	0.384	0.552	-0.001	-0.017	-0.151	0.000
687	A	706	GLU	-1	-0.870	-0.937	5.140	-1.211	-1.211	0.000	0.000	0.000	0.000
688	A	707	LEU	0	-0.027	-0.003	6.955	0.053	0.053	0.000	0.000	0.000	0.000
689	A	708	ILE	0	0.006	0.023	10.185	-0.025	-0.025	0.000	0.000	0.000	0.000
690	A	709	SER	0	0.033	-0.007	8.094	0.067	0.067	0.000	0.000	0.000	0.000
691	A	710	GLN	0	-0.048	-0.007	10.493	-0.092	-0.092	0.000	0.000	0.000	0.000
692	A	711	PHE	0	-0.016	-0.019	12.687	-0.002	-0.002	0.000	0.000	0.000	0.000
693	A	712	ALA	0	0.014	-0.001	13.513	-0.005	-0.005	0.000	0.000	0.000	0.000
694	A	713	GLU	-1	-0.974	-0.970	14.363	0.067	0.067	0.000	0.000	0.000	0.000
695	A	714	TYR	0	-0.106	-0.063	16.453	-0.008	-0.008	0.000	0.000	0.000	0.000
696	A	715	GLU	-1	-0.832	-0.904	19.975	0.085	0.085	0.000	0.000	0.000	0.000
697	A	716	VAL	0	-0.058	-0.023	22.136	-0.001	-0.001	0.000	0.000	0.000	0.000
698	A	717	LYS	1	0.776	0.886	24.406	-0.041	-0.041	0.000	0.000	0.000	0.000
699	A	718	GLY	0	0.025	0.010	27.412	0.001	0.001	0.000	0.000	0.000	0.000
700	A	719	ASN	0	-0.024	-0.027	29.006	-0.003	-0.003	0.000	0.000	0.000	0.000
701	A	720	VAL	0	0.009	0.009	28.671	-0.004	-0.004	0.000	0.000	0.000	0.000
702	A	721	GLU	-1	-0.948	-0.968	31.858	0.025	0.025	0.000	0.000	0.000	0.000
703	A	722	LEU	0	-0.044	-0.016	29.214	-0.004	-0.004	0.000	0.000	0.000	0.000
704	A	723	LYS	1	0.934	0.956	30.657	-0.003	-0.003	0.000	0.000	0.000	0.000
705	A	724	ASP	-1	-0.777	-0.909	31.212	0.019	0.019	0.000	0.000	0.000	0.000
706	A	725	ILE	0	-0.071	-0.027	26.961	0.004	0.004	0.000	0.000	0.000	0.000
707	A	726	ASP	-1	-0.709	-0.818	26.751	0.017	0.017	0.000	0.000	0.000	0.000
708	A	727	ARG	1	0.910	0.955	27.319	-0.019	-0.019	0.000	0.000	0.000	0.000
709	A	728	TRP	0	-0.027	0.006	24.344	0.005	0.005	0.000	0.000	0.000	0.000
710	A	729	MET	0	-0.044	0.016	21.223	0.000	0.000	0.000	0.000	0.000	0.000
711	A	730	LEU	0	0.013	0.004	24.249	0.011	0.011	0.000	0.000	0.000	0.000
712	A	731	HIS	0	0.040	0.023	26.467	0.009	0.009	0.000	0.000	0.000	0.000
713	A	732	ARG	1	0.778	0.846	24.841	-0.031	-0.031	0.000	0.000	0.000	0.000
714	A	733	LEU	0	-0.012	0.024	20.943	0.008	0.008	0.000	0.000	0.000	0.000
715	A	734	ASN	0	0.079	0.044	24.177	0.013	0.013	0.000	0.000	0.000	0.000
716	A	735	LYS	1	0.794	0.893	27.278	-0.037	-0.037	0.000	0.000	0.000	0.000
717	A	736	ALA	0	-0.006	-0.016	22.686	0.002	0.002	0.000	0.000	0.000	0.000
718	A	737	ILE	0	-0.030	0.017	24.135	0.011	0.011	0.000	0.000	0.000	0.000
719	A	738	LYS	1	0.933	0.964	25.434	-0.059	-0.059	0.000	0.000	0.000	0.000
720	A	739	GLU	-1	-0.881	-0.941	27.114	0.066	0.066	0.000	0.000	0.000	0.000
721	A	740	THR	0	-0.074	-0.057	22.512	0.003	0.003	0.000	0.000	0.000	0.000
722	A	741	THR	0	0.008	-0.013	25.440	0.005	0.005	0.000	0.000	0.000	0.000
723	A	742	ASN	0	-0.042	-0.007	27.769	0.000	0.000	0.000	0.000	0.000	0.000
724	A	743	ALA	0	0.015	0.001	26.030	0.001	0.001	0.000	0.000	0.000	0.000
725	A	744	LEU	0	-0.031	0.002	22.925	0.001	0.001	0.000	0.000	0.000	0.000
726	A	745	GLU	-1	-0.809	-0.880	27.062	0.095	0.095	0.000	0.000	0.000	0.000
727	A	746	GLU	-1	-0.977	-0.965	30.129	0.062	0.062	0.000	0.000	0.000	0.000
728	A	747	PHE	0	-0.026	-0.042	27.649	-0.003	-0.003	0.000	0.000	0.000	0.000
729	A	748	ARG	1	0.767	0.874	27.453	-0.069	-0.069	0.000	0.000	0.000	0.000
730	A	749	THR	0	0.057	0.002	22.300	0.000	0.000	0.000	0.000	0.000	0.000
731	A	750	ARG	1	0.884	0.961	21.556	-0.039	-0.039	0.000	0.000	0.000	0.000
732	A	751	THR	0	-0.047	-0.046	22.507	-0.004	-0.004	0.000	0.000	0.000	0.000
733	A	752	ALA	0	0.095	0.052	22.616	0.002	0.002	0.000	0.000	0.000	0.000
734	A	753	VAL	0	-0.010	-0.006	17.120	0.002	0.002	0.000	0.000	0.000	0.000
735	A	754	GLN	0	-0.060	-0.043	19.016	-0.002	-0.002	0.000	0.000	0.000	0.000
736	A	755	TRP	0	-0.020	-0.013	21.347	-0.012	-0.012	0.000	0.000	0.000	0.000
737	A	756	ALA	0	0.017	0.010	19.297	-0.002	-0.002	0.000	0.000	0.000	0.000
738	A	757	PHE	0	0.007	-0.008	11.344	0.016	0.016	0.000	0.000	0.000	0.000
739	A	758	TYR	0	-0.054	-0.046	15.632	-0.029	-0.029	0.000	0.000	0.000	0.000
740	A	759	SER	0	0.010	0.031	17.895	-0.027	-0.027	0.000	0.000	0.000	0.000
741	A	760	ILE	0	0.035	0.027	17.678	-0.019	-0.019	0.000	0.000	0.000	0.000
742	A	761	MET	0	-0.005	0.012	11.749	-0.038	-0.038	0.000	0.000	0.000	0.000
743	A	762	ASN	0	-0.069	-0.039	16.780	-0.046	-0.046	0.000	0.000	0.000	0.000
744	A	763	ASP	-1	-0.782	-0.873	19.450	0.026	0.026	0.000	0.000	0.000	0.000
745	A	764	LEU	0	0.059	0.005	15.640	-0.010	-0.010	0.000	0.000	0.000	0.000
746	A	765	ARG	1	0.851	0.918	15.429	0.054	0.054	0.000	0.000	0.000	0.000
747	A	766	TRP	0	-0.011	-0.013	18.708	-0.014	-0.014	0.000	0.000	0.000	0.000
748	A	767	TYR	0	0.078	0.005	21.118	-0.005	-0.005	0.000	0.000	0.000	0.000
749	A	768	LEU	0	-0.010	0.002	16.403	-0.006	-0.006	0.000	0.000	0.000	0.000
750	A	769	ARG	1	0.794	0.873	20.768	0.061	0.061	0.000	0.000	0.000	0.000
751	A	770	ARG	1	0.714	0.861	22.159	0.015	0.015	0.000	0.000	0.000	0.000
752	A	771	THR	0	-0.090	-0.036	23.907	0.002	0.002	0.000	0.000	0.000	0.000
753	A	772	GLU	-1	-0.811	-0.900	21.530	-0.087	-0.087	0.000	0.000	0.000	0.000
754	A	773	GLY	0	-0.034	-0.022	22.888	0.006	0.006	0.000	0.000	0.000	0.000
755	A	774	ARG	1	0.723	0.811	24.617	0.001	0.001	0.000	0.000	0.000	0.000
756	A	775	ASP	-1	-0.853	-0.931	22.437	-0.017	-0.017	0.000	0.000	0.000	0.000
757	A	776	ASP	-1	-0.748	-0.823	24.847	0.005	0.005	0.000	0.000	0.000	0.000
758	A	777	GLU	-1	-0.796	-0.899	25.821	0.039	0.039	0.000	0.000	0.000	0.000
759	A	778	ALA	0	0.034	0.018	26.597	0.008	0.008	0.000	0.000	0.000	0.000
760	A	779	LYS	1	0.852	0.902	21.228	0.036	0.036	0.000	0.000	0.000	0.000
761	A	780	ARG	1	0.820	0.912	20.744	0.000	0.000	0.000	0.000	0.000	0.000
762	A	781	TYR	0	0.078	0.042	21.890	0.014	0.014	0.000	0.000	0.000	0.000
763	A	782	VAL	0	0.018	0.020	22.402	0.014	0.014	0.000	0.000	0.000	0.000
764	A	783	LEU	0	0.020	0.006	18.013	0.012	0.012	0.000	0.000	0.000	0.000
765	A	784	ARG	1	0.882	0.946	18.266	-0.138	-0.138	0.000	0.000	0.000	0.000
766	A	785	THR	0	-0.053	-0.042	19.486	0.025	0.025	0.000	0.000	0.000	0.000
767	A	786	LEU	0	-0.067	-0.025	17.590	0.016	0.016	0.000	0.000	0.000	0.000
768	A	787	ALA	0	0.005	-0.016	15.448	0.021	0.021	0.000	0.000	0.000	0.000
769	A	788	ASP	-1	-0.793	-0.879	16.765	0.234	0.234	0.000	0.000	0.000	0.000
770	A	789	VAL	0	0.031	0.007	18.970	0.026	0.026	0.000	0.000	0.000	0.000
771	A	790	TRP	0	-0.018	-0.028	13.729	0.026	0.026	0.000	0.000	0.000	0.000
772	A	791	VAL	0	-0.028	-0.011	13.380	0.035	0.035	0.000	0.000	0.000	0.000
773	A	792	ARG	1	0.855	0.919	15.877	-0.174	-0.174	0.000	0.000	0.000	0.000
774	A	793	LEU	0	-0.045	-0.013	18.771	-0.005	-0.005	0.000	0.000	0.000	0.000
775	A	794	MET	0	-0.028	-0.015	12.877	-0.044	-0.044	0.000	0.000	0.000	0.000
776	A	795	ALA	0	0.038	0.038	16.225	0.036	0.036	0.000	0.000	0.000	0.000
777	A	796	PRO	0	0.011	0.004	17.331	0.023	0.023	0.000	0.000	0.000	0.000
778	A	797	PHE	0	0.002	-0.003	15.697	-0.011	-0.011	0.000	0.000	0.000	0.000
779	A	798	THR	0	-0.103	-0.045	11.231	-0.016	-0.016	0.000	0.000	0.000	0.000
780	A	799	PRO	0	0.064	0.041	13.406	0.077	0.077	0.000	0.000	0.000	0.000
781	A	800	HIS	0	0.049	0.012	11.331	-0.065	-0.065	0.000	0.000	0.000	0.000
782	A	801	ILE	0	-0.070	-0.040	6.973	0.053	0.053	0.000	0.000	0.000	0.000
783	A	802	CYS	0	0.023	0.006	9.687	-0.036	-0.036	0.000	0.000	0.000	0.000
784	A	803	GLU	-1	-0.629	-0.809	12.916	0.303	0.303	0.000	0.000	0.000	0.000
785	A	804	GLU	-1	-0.907	-0.938	8.864	0.991	0.991	0.000	0.000	0.000	0.000
786	A	805	LEU	0	-0.050	-0.029	8.491	-0.092	-0.092	0.000	0.000	0.000	0.000
787	A	806	TRP	0	-0.060	-0.045	11.971	-0.107	-0.107	0.000	0.000	0.000	0.000
788	A	807	GLU	-1	-0.864	-0.948	14.415	0.363	0.363	0.000	0.000	0.000	0.000
789	A	808	LYS	1	0.847	0.923	7.287	-0.967	-0.967	0.000	0.000	0.000	0.000
790	A	809	LEU	0	-0.053	-0.010	14.138	-0.073	-0.073	0.000	0.000	0.000	0.000
791	A	810	GLY	0	-0.008	-0.016	16.777	-0.002	-0.002	0.000	0.000	0.000	0.000
792	A	811	GLY	0	0.048	0.047	19.511	-0.001	-0.001	0.000	0.000	0.000	0.000
793	A	812	GLU	-1	-0.858	-0.926	20.087	0.147	0.147	0.000	0.000	0.000	0.000
794	A	813	GLY	0	0.006	0.018	22.468	0.010	0.010	0.000	0.000	0.000	0.000
795	A	814	PHE	0	0.011	0.011	19.453	0.013	0.013	0.000	0.000	0.000	0.000
796	A	815	VAL	0	0.060	0.043	16.249	-0.022	-0.022	0.000	0.000	0.000	0.000
797	A	816	SER	0	-0.103	-0.087	19.135	-0.030	-0.030	0.000	0.000	0.000	0.000
798	A	817	LEU	0	-0.043	-0.029	21.043	-0.022	-0.022	0.000	0.000	0.000	0.000
799	A	818	ALA	0	-0.079	-0.017	21.938	-0.023	-0.023	0.000	0.000	0.000	0.000
800	A	819	LYS	1	0.837	0.897	23.882	-0.176	-0.176	0.000	0.000	0.000	0.000
801	A	820	TRP	0	0.009	-0.023	22.184	0.012	0.012	0.000	0.000	0.000	0.000
802	A	821	PRO	0	-0.065	-0.023	22.304	-0.014	-0.014	0.000	0.000	0.000	0.000
803	A	822	GLU	-1	-0.759	-0.890	25.597	0.113	0.113	0.000	0.000	0.000	0.000
804	A	823	PRO	0	-0.066	-0.047	28.755	-0.001	-0.001	0.000	0.000	0.000	0.000
805	A	824	VAL	0	-0.026	-0.013	28.390	0.001	0.001	0.000	0.000	0.000	0.000
806	A	825	GLU	-1	-0.904	-0.973	31.185	0.056	0.056	0.000	0.000	0.000	0.000
807	A	826	GLU	-1	-0.875	-0.918	34.326	0.046	0.046	0.000	0.000	0.000	0.000
808	A	827	TRP	0	-0.051	-0.028	25.581	0.004	0.004	0.000	0.000	0.000	0.000
809	A	828	TRP	0	-0.002	0.004	31.115	-0.003	-0.003	0.000	0.000	0.000	0.000
810	A	829	ASN	0	-0.028	-0.055	33.169	-0.006	-0.006	0.000	0.000	0.000	0.000
811	A	830	GLU	-1	-0.888	-0.937	34.183	0.025	0.025	0.000	0.000	0.000	0.000
812	A	831	THR	0	0.027	0.017	35.856	-0.002	-0.002	0.000	0.000	0.000	0.000
813	A	832	ILE	0	0.009	0.003	32.285	-0.004	-0.004	0.000	0.000	0.000	0.000
814	A	833	GLU	-1	-0.794	-0.861	30.273	0.031	0.031	0.000	0.000	0.000	0.000
815	A	834	ALA	0	0.016	0.006	32.868	-0.004	-0.004	0.000	0.000	0.000	0.000
816	A	835	GLU	-1	-0.825	-0.934	35.886	0.005	0.005	0.000	0.000	0.000	0.000
817	A	836	GLU	-1	-0.790	-0.885	29.623	-0.006	-0.006	0.000	0.000	0.000	0.000
818	A	837	GLU	-1	-0.909	-0.958	32.461	0.005	0.005	0.000	0.000	0.000	0.000
819	A	838	PHE	0	0.011	0.018	33.366	-0.004	-0.004	0.000	0.000	0.000	0.000
820	A	839	ILE	0	0.028	0.032	32.572	-0.003	-0.003	0.000	0.000	0.000	0.000
821	A	840	ARG	1	0.917	0.969	26.005	0.013	0.013	0.000	0.000	0.000	0.000
822	A	841	SER	0	-0.041	-0.034	32.781	-0.003	-0.003	0.000	0.000	0.000	0.000
823	A	842	VAL	0	0.019	0.005	35.586	-0.002	-0.002	0.000	0.000	0.000	0.000
824	A	843	MET	0	-0.034	-0.010	30.133	-0.003	-0.003	0.000	0.000	0.000	0.000
825	A	844	GLU	-1	-0.908	-0.947	31.443	-0.031	-0.031	0.000	0.000	0.000	0.000
826	A	845	ASP	-1	-0.786	-0.864	34.843	-0.015	-0.015	0.000	0.000	0.000	0.000
827	A	846	ILE	0	-0.065	-0.036	37.454	-0.001	-0.001	0.000	0.000	0.000	0.000
828	A	847	LYS	1	0.881	0.937	30.865	0.036	0.036	0.000	0.000	0.000	0.000
829	A	848	GLU	-1	-0.905	-0.942	36.058	-0.023	-0.023	0.000	0.000	0.000	0.000
830	A	849	ILE	0	-0.059	-0.054	38.192	0.000	0.000	0.000	0.000	0.000	0.000
831	A	850	ILE	0	-0.048	-0.031	38.121	0.001	0.001	0.000	0.000	0.000	0.000
832	A	851	GLU	-1	-0.943	-0.966	33.556	-0.041	-0.041	0.000	0.000	0.000	0.000
833	A	852	VAL	0	-0.062	-0.016	38.301	0.000	0.000	0.000	0.000	0.000	0.000
834	A	853	ALA	0	-0.072	-0.050	41.688	0.002	0.002	0.000	0.000	0.000	0.000
835	A	854	LYS	1	0.771	0.878	42.911	0.022	0.022	0.000	0.000	0.000	0.000
836	A	855	ILE	0	0.044	0.017	39.436	-0.001	-0.001	0.000	0.000	0.000	0.000
837	A	856	GLU	-1	-0.928	-0.967	38.006	-0.041	-0.041	0.000	0.000	0.000	0.000
838	A	857	ASN	0	-0.075	-0.051	40.468	0.001	0.001	0.000	0.000	0.000	0.000
839	A	858	ALA	0	0.072	0.043	40.675	-0.001	-0.001	0.000	0.000	0.000	0.000
840	A	859	LYS	1	0.939	1.001	40.795	0.020	0.020	0.000	0.000	0.000	0.000
841	A	860	ARG	1	0.850	0.987	39.472	0.020	0.020	0.000	0.000	0.000	0.000
842	A	861	ALA	0	-0.058	-0.038	43.616	0.000	0.000	0.000	0.000	0.000	0.000
843	A	862	TYR	0	0.014	-0.003	39.698	0.000	0.000	0.000	0.000	0.000	0.000
844	A	863	ILE	0	0.008	0.022	45.527	0.000	0.000	0.000	0.000	0.000	0.000
845	A	864	TYR	0	0.007	-0.004	43.369	0.000	0.000	0.000	0.000	0.000	0.000
846	A	865	THR	0	-0.066	-0.046	46.697	0.000	0.000	0.000	0.000	0.000	0.000
847	A	866	ALA	0	0.009	-0.011	49.375	0.000	0.000	0.000	0.000	0.000	0.000
848	A	867	GLU	-1	-0.814	-0.933	50.312	0.004	0.004	0.000	0.000	0.000	0.000
849	A	868	ASP	-1	-0.819	-0.900	53.231	0.004	0.004	0.000	0.000	0.000	0.000
850	A	869	TRP	0	-0.017	-0.017	55.325	-0.001	-0.001	0.000	0.000	0.000	0.000
851	A	870	LYS	1	0.735	0.865	51.961	0.002	0.002	0.000	0.000	0.000	0.000
852	A	871	TRP	0	0.076	0.039	44.708	0.001	0.001	0.000	0.000	0.000	0.000
853	A	872	LYS	1	0.854	0.931	51.499	-0.006	-0.006	0.000	0.000	0.000	0.000
854	A	873	VAL	0	0.003	-0.014	54.337	0.001	0.001	0.000	0.000	0.000	0.000
855	A	874	ALA	0	0.015	0.001	50.090	0.001	0.001	0.000	0.000	0.000	0.000
856	A	875	GLU	-1	-0.825	-0.879	50.386	0.008	0.008	0.000	0.000	0.000	0.000
857	A	876	VAL	0	0.045	0.020	51.802	0.001	0.001	0.000	0.000	0.000	0.000
858	A	877	VAL	0	0.047	0.008	53.637	0.000	0.000	0.000	0.000	0.000	0.000
859	A	878	SER	0	-0.067	-0.048	50.348	0.000	0.000	0.000	0.000	0.000	0.000
860	A	879	GLU	-1	-0.965	-0.990	52.280	0.014	0.014	0.000	0.000	0.000	0.000
861	A	880	LYS	1	0.805	0.915	55.002	-0.008	-0.008	0.000	0.000	0.000	0.000
862	A	881	ARG	1	0.756	0.839	50.355	-0.010	-0.010	0.000	0.000	0.000	0.000
863	A	882	ASP	-1	-0.722	-0.826	55.429	0.006	0.006	0.000	0.000	0.000	0.000
864	A	883	PHE	0	-0.022	-0.037	58.512	-0.001	-0.001	0.000	0.000	0.000	0.000
865	A	884	LYS	1	0.834	0.937	60.277	-0.003	-0.003	0.000	0.000	0.000	0.000
866	A	885	SER	0	0.107	0.037	61.701	0.000	0.000	0.000	0.000	0.000	0.000
867	A	886	SER	0	0.023	0.002	58.473	0.000	0.000	0.000	0.000	0.000	0.000
868	A	887	MET	0	-0.033	-0.018	60.581	0.000	0.000	0.000	0.000	0.000	0.000
869	A	888	GLU	-1	-0.953	-0.984	62.497	0.005	0.005	0.000	0.000	0.000	0.000
870	A	889	GLU	-1	-0.843	-0.912	60.769	0.007	0.007	0.000	0.000	0.000	0.000
871	A	890	LEU	0	-0.005	0.005	58.047	0.000	0.000	0.000	0.000	0.000	0.000
872	A	891	MET	0	-0.052	-0.015	62.535	0.000	0.000	0.000	0.000	0.000	0.000
873	A	892	LYS	1	0.819	0.908	65.219	-0.006	-0.006	0.000	0.000	0.000	0.000
874	A	893	ASP	-1	-0.806	-0.910	62.225	0.005	0.005	0.000	0.000	0.000	0.000
875	A	894	SER	0	0.050	0.037	64.829	-0.001	-0.001	0.000	0.000	0.000	0.000
876	A	895	GLU	-1	-0.810	-0.891	61.818	0.001	0.001	0.000	0.000	0.000	0.000
877	A	896	ILE	0	-0.004	-0.007	59.349	0.000	0.000	0.000	0.000	0.000	0.000
878	A	897	ARG	1	0.905	0.936	61.891	-0.002	-0.002	0.000	0.000	0.000	0.000
879	A	898	LYS	1	0.717	0.849	63.201	-0.001	-0.001	0.000	0.000	0.000	0.000
880	A	899	HIS	0	0.030	0.023	60.141	0.000	0.000	0.000	0.000	0.000	0.000
881	A	900	GLY	0	0.057	0.013	63.029	0.000	0.000	0.000	0.000	0.000	0.000
882	A	901	LYS	1	0.865	0.957	61.438	0.004	0.004	0.000	0.000	0.000	0.000
883	A	902	GLU	-1	-0.794	-0.893	58.175	-0.004	-0.004	0.000	0.000	0.000	0.000
884	A	903	VAL	0	0.009	0.016	58.602	0.000	0.000	0.000	0.000	0.000	0.000
885	A	904	ALA	0	-0.004	-0.014	58.696	0.000	0.000	0.000	0.000	0.000	0.000
886	A	905	LYS	1	0.833	0.883	54.058	0.003	0.003	0.000	0.000	0.000	0.000
887	A	906	ILE	0	0.042	0.016	54.146	0.000	0.000	0.000	0.000	0.000	0.000
888	A	907	VAL	0	0.033	0.018	55.580	0.000	0.000	0.000	0.000	0.000	0.000
889	A	908	GLN	0	0.075	0.045	50.166	0.000	0.000	0.000	0.000	0.000	0.000
890	A	909	LYS	1	0.768	0.894	46.891	-0.004	-0.004	0.000	0.000	0.000	0.000
891	A	910	LEU	0	0.003	0.020	51.025	0.001	0.001	0.000	0.000	0.000	0.000
892	A	911	ILE	0	-0.054	-0.021	51.480	0.001	0.001	0.000	0.000	0.000	0.000
893	A	912	LYS	1	0.851	0.899	46.716	0.002	0.002	0.000	0.000	0.000	0.000
894	A	913	GLU	-1	-0.739	-0.815	47.012	0.009	0.009	0.000	0.000	0.000	0.000
895	A	914	ARG	1	0.951	0.964	46.466	-0.014	-0.014	0.000	0.000	0.000	0.000
896	A	915	THR	0	0.036	0.026	46.423	-0.001	-0.001	0.000	0.000	0.000	0.000
897	A	916	PHE	0	-0.030	-0.010	38.610	0.001	0.001	0.000	0.000	0.000	0.000
898	A	917	ASP	-1	-0.739	-0.870	41.566	0.016	0.016	0.000	0.000	0.000	0.000
899	A	918	VAL	0	-0.022	-0.026	43.725	-0.002	-0.002	0.000	0.000	0.000	0.000
900	A	919	LYS	1	0.910	1.005	39.657	-0.010	-0.010	0.000	0.000	0.000	0.000
901	A	920	ARG	1	0.905	0.917	42.017	-0.009	-0.009	0.000	0.000	0.000	0.000
902	A	921	ILE	0	-0.034	-0.005	39.553	-0.002	-0.002	0.000	0.000	0.000	0.000
903	A	922	ASN	0	0.080	0.045	41.043	-0.001	-0.001	0.000	0.000	0.000	0.000
904	A	923	GLH	0	-0.050	-0.038	40.844	-0.001	-0.001	0.000	0.000	0.000	0.000
905	A	924	GLU	-1	-0.808	-0.914	40.340	-0.003	-0.003	0.000	0.000	0.000	0.000
906	A	925	LYS	1	0.785	0.913	32.660	-0.006	-0.006	0.000	0.000	0.000	0.000
907	A	926	ALA	0	-0.017	-0.026	36.999	-0.002	-0.002	0.000	0.000	0.000	0.000
908	A	927	LEU	0	-0.046	-0.018	38.355	-0.003	-0.003	0.000	0.000	0.000	0.000
909	A	928	ARG	1	0.814	0.869	35.552	-0.008	-0.008	0.000	0.000	0.000	0.000
910	A	929	GLU	-1	-0.767	-0.888	31.287	0.004	0.004	0.000	0.000	0.000	0.000
911	A	930	ALA	0	-0.036	0.016	32.138	-0.003	-0.003	0.000	0.000	0.000	0.000
912	A	931	LYS	1	0.805	0.889	34.016	0.017	0.017	0.000	0.000	0.000	0.000
913	A	932	GLU	-1	-0.857	-0.931	32.331	-0.020	-0.020	0.000	0.000	0.000	0.000
914	A	933	PHE	0	0.001	-0.005	26.732	-0.002	-0.002	0.000	0.000	0.000	0.000
915	A	934	MET	0	0.013	-0.014	31.059	-0.003	-0.003	0.000	0.000	0.000	0.000
916	A	935	GLU	-1	-0.757	-0.839	33.158	-0.027	-0.027	0.000	0.000	0.000	0.000
917	A	936	LYS	1	0.842	0.925	24.858	0.062	0.062	0.000	0.000	0.000	0.000
918	A	937	GLU	-1	-0.893	-0.930	26.598	-0.065	-0.065	0.000	0.000	0.000	0.000
919	A	938	LEU	0	-0.037	-0.047	29.872	-0.002	-0.002	0.000	0.000	0.000	0.000
920	A	939	GLY	0	-0.009	0.021	32.954	-0.001	-0.001	0.000	0.000	0.000	0.000
921	A	940	ILE	0	-0.070	-0.028	33.913	0.002	0.002	0.000	0.000	0.000	0.000
922	A	941	GLU	-1	-0.876	-0.953	37.176	-0.022	-0.022	0.000	0.000	0.000	0.000
923	A	942	ILE	0	-0.060	-0.055	37.015	0.002	0.002	0.000	0.000	0.000	0.000
924	A	943	ILE	0	-0.014	-0.033	40.424	0.001	0.001	0.000	0.000	0.000	0.000
925	A	944	ILE	0	0.025	0.019	40.109	0.001	0.001	0.000	0.000	0.000	0.000
926	A	945	ASN	0	0.007	-0.016	44.285	0.000	0.000	0.000	0.000	0.000	0.000
927	A	946	PRO	0	0.021	0.030	47.426	0.001	0.001	0.000	0.000	0.000	0.000
928	A	947	THR	0	0.000	0.005	49.917	0.001	0.001	0.000	0.000	0.000	0.000
929	A	948	GLU	-1	-0.858	-0.924	51.077	-0.013	-0.013	0.000	0.000	0.000	0.000
930	A	949	ASP	-1	-0.872	-0.973	53.317	-0.009	-0.009	0.000	0.000	0.000	0.000
931	A	950	LYS	1	0.856	0.913	49.742	0.014	0.014	0.000	0.000	0.000	0.000
932	A	951	GLY	0	0.006	0.025	51.483	0.000	0.000	0.000	0.000	0.000	0.000
933	A	952	GLY	0	0.001	0.000	52.916	0.000	0.000	0.000	0.000	0.000	0.000
934	A	953	LYN	0	-0.020	0.004	48.924	0.000	0.000	0.000	0.000	0.000	0.000
935	A	954	LYS	1	0.986	0.977	51.771	0.008	0.008	0.000	0.000	0.000	0.000
936	A	955	LYN	0	0.013	0.018	52.452	0.000	0.000	0.000	0.000	0.000	0.000
937	A	956	GLN	0	-0.064	0.022	51.994	0.001	0.001	0.000	0.000	0.000	0.000
938	A	957	ALA	0	-0.012	-0.009	48.148	-0.001	-0.001	0.000	0.000	0.000	0.000
939	A	958	MET	0	-0.008	-0.016	47.893	0.001	0.001	0.000	0.000	0.000	0.000
940	A	959	PRO	0	0.045	0.025	46.569	-0.001	-0.001	0.000	0.000	0.000	0.000
941	A	960	LEU	0	-0.057	-0.024	41.258	0.000	0.000	0.000	0.000	0.000	0.000
942	A	961	LYS	1	0.819	0.897	40.730	0.010	0.010	0.000	0.000	0.000	0.000
943	A	962	PRO	0	0.007	0.010	42.116	0.000	0.000	0.000	0.000	0.000	0.000
944	A	963	ALA	0	0.022	0.018	44.894	-0.001	-0.001	0.000	0.000	0.000	0.000
945	A	964	ILE	0	-0.015	-0.025	42.050	0.000	0.000	0.000	0.000	0.000	0.000
946	A	965	PHE	0	0.009	0.000	45.336	0.000	0.000	0.000	0.000	0.000	0.000
947	A	966	ILE	0	0.074	0.022	41.633	0.000	0.000	0.000	0.000	0.000	0.000
948	A	967	GLU	-1	-0.816	-0.876	44.702	-0.021	-0.021	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(A:4:LEU)