FMO DATABASE

FMODB ID: LN1L9

Calculation Name: 1WZ2-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

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:

IFIE MAP

IFIE Diagram

Modeling method

Optimization	MOE:Amber10:EHT
Restraint	OptH
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	948
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-27670004.569627
FMO2-HF: Nuclear repulsion	27282361.801484
FMO2-HF: Total energy	-387642.768143
FMO2-MP2: Total energy	-388793.694321

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: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.
-11.365	-3.712	4.47	-5.058	-7.065	-0.028

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 : 0.045 / q_NPA : 0.023

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	0.033	0.016	3.469	-2.013	1.334	0.188	-1.678	-1.857	0.000
4	A	7	LYS	1	0.980	1.023	6.372	-1.097	-1.097	0.000	0.000	0.000	0.000
5	A	8	ALA	0	0.024	0.004	8.883	-0.144	-0.144	0.000	0.000	0.000	0.000
6	A	9	ILE	0	0.002	0.013	6.532	0.033	0.033	0.000	0.000	0.000	0.000
7	A	10	GLU	-1	-0.906	-0.981	9.989	0.673	0.673	0.000	0.000	0.000	0.000
8	A	11	GLU	-1	-0.934	-0.966	12.080	0.304	0.304	0.000	0.000	0.000	0.000
9	A	12	LYN	0	0.018	0.048	12.710	-0.131	-0.131	0.000	0.000	0.000	0.000
10	A	13	TRP	0	0.004	-0.018	12.103	-0.158	-0.158	0.000	0.000	0.000	0.000
11	A	14	GLN	0	0.008	0.011	15.368	-0.110	-0.110	0.000	0.000	0.000	0.000
12	A	15	LYS	1	0.909	0.959	18.251	-0.365	-0.365	0.000	0.000	0.000	0.000
13	A	16	ARG	1	0.946	0.964	17.150	-0.443	-0.443	0.000	0.000	0.000	0.000
14	A	17	TRP	0	-0.059	-0.041	16.038	-0.013	-0.013	0.000	0.000	0.000	0.000
15	A	18	LEU	0	-0.009	-0.023	21.690	-0.035	-0.035	0.000	0.000	0.000	0.000
16	A	19	GLU	-1	-1.006	-0.994	23.592	0.212	0.212	0.000	0.000	0.000	0.000
17	A	20	ALA	0	-0.037	-0.007	24.391	-0.019	-0.019	0.000	0.000	0.000	0.000
18	A	21	LYS	1	0.895	0.941	26.068	-0.176	-0.176	0.000	0.000	0.000	0.000
19	A	22	ILE	0	0.024	0.024	23.134	-0.010	-0.010	0.000	0.000	0.000	0.000
20	A	23	PHE	0	-0.112	-0.057	21.100	0.001	0.001	0.000	0.000	0.000	0.000
21	A	24	GLU	-1	-0.901	-0.954	26.832	0.149	0.149	0.000	0.000	0.000	0.000
22	A	25	PRO	0	-0.053	-0.005	30.394	-0.005	-0.005	0.000	0.000	0.000	0.000
23	A	26	ASN	0	0.021	-0.020	32.544	0.003	0.003	0.000	0.000	0.000	0.000
24	A	27	ILE	0	0.018	0.001	35.821	0.001	0.001	0.000	0.000	0.000	0.000
25	A	28	ARG	0	0.063	0.039	38.502	0.005	0.005	0.000	0.000	0.000	0.000
26	A	29	ASP	-1	-0.934	-0.942	33.492	0.115	0.115	0.000	0.000	0.000	0.000
27	A	30	LYS	1	0.860	0.932	32.967	-0.105	-0.105	0.000	0.000	0.000	0.000
28	A	31	PRO	0	0.025	0.021	38.169	-0.002	-0.002	0.000	0.000	0.000	0.000
29	A	32	LYS	1	0.988	0.999	39.507	-0.061	-0.061	0.000	0.000	0.000	0.000
30	A	33	GLU	-1	-0.955	-0.969	40.070	0.068	0.068	0.000	0.000	0.000	0.000
31	A	34	LYS	1	0.917	0.954	36.033	-0.079	-0.079	0.000	0.000	0.000	0.000
32	A	35	LYS	1	0.815	0.929	35.245	-0.069	-0.069	0.000	0.000	0.000	0.000
33	A	36	PHE	0	0.023	-0.019	29.951	-0.003	-0.003	0.000	0.000	0.000	0.000
34	A	37	TYR	0	-0.073	-0.068	32.942	0.010	0.010	0.000	0.000	0.000	0.000
35	A	38	ILE	0	-0.020	-0.008	29.639	-0.004	-0.004	0.000	0.000	0.000	0.000
36	A	39	THR	0	-0.025	-0.016	31.679	0.005	0.005	0.000	0.000	0.000	0.000
37	A	40	VAL	0	0.034	0.019	28.185	-0.003	-0.003	0.000	0.000	0.000	0.000
38	A	41	ALA	0	-0.027	-0.042	31.459	0.000	0.000	0.000	0.000	0.000	0.000
39	A	42	PHE	0	-0.015	-0.007	31.490	0.004	0.004	0.000	0.000	0.000	0.000
40	A	43	PRO	0	0.017	0.017	28.858	-0.007	-0.007	0.000	0.000	0.000	0.000
41	A	44	TYR	0	0.023	0.006	31.489	-0.002	-0.002	0.000	0.000	0.000	0.000
42	A	45	LEU	0	-0.055	-0.024	30.760	0.001	0.001	0.000	0.000	0.000	0.000
43	A	46	SER	0	-0.026	-0.024	31.654	-0.006	-0.006	0.000	0.000	0.000	0.000
44	A	47	GLY	0	-0.018	0.000	29.392	-0.007	-0.007	0.000	0.000	0.000	0.000
45	A	48	HIS	0	-0.025	0.013	23.708	0.012	0.012	0.000	0.000	0.000	0.000
46	A	49	LEU	0	0.015	0.013	23.933	-0.008	-0.008	0.000	0.000	0.000	0.000
47	A	50	HIS	0	0.025	0.039	22.385	0.012	0.012	0.000	0.000	0.000	0.000
48	A	51	VAL	0	0.085	0.000	18.311	0.009	0.009	0.000	0.000	0.000	0.000
49	A	52	GLY	0	-0.035	-0.021	20.994	0.003	0.003	0.000	0.000	0.000	0.000
50	A	53	HIS	0	0.027	-0.014	24.418	0.007	0.007	0.000	0.000	0.000	0.000
51	A	54	ALA	0	0.020	0.028	20.062	0.006	0.006	0.000	0.000	0.000	0.000
52	A	55	ARG	1	0.926	0.958	22.078	-0.059	-0.059	0.000	0.000	0.000	0.000
53	A	56	THR	0	-0.028	-0.006	22.922	0.001	0.001	0.000	0.000	0.000	0.000
54	A	57	TYR	0	0.016	-0.008	23.473	-0.004	-0.004	0.000	0.000	0.000	0.000
55	A	58	THR	0	0.002	0.007	18.916	0.015	0.015	0.000	0.000	0.000	0.000
56	A	59	ILE	0	0.026	0.016	21.794	0.008	0.008	0.000	0.000	0.000	0.000
57	A	60	PRO	0	0.030	0.018	24.365	0.001	0.001	0.000	0.000	0.000	0.000
58	A	61	ASP	-1	-0.614	-0.779	20.625	0.279	0.279	0.000	0.000	0.000	0.000
59	A	62	VAL	0	-0.042	-0.039	20.468	0.003	0.003	0.000	0.000	0.000	0.000
60	A	63	ILE	0	0.049	0.018	22.401	0.000	0.000	0.000	0.000	0.000	0.000
61	A	64	ALA	0	0.026	0.020	25.558	-0.006	-0.006	0.000	0.000	0.000	0.000
62	A	65	ARG	1	0.775	0.871	19.149	-0.340	-0.340	0.000	0.000	0.000	0.000
63	A	66	PHE	0	0.046	0.032	23.719	-0.006	-0.006	0.000	0.000	0.000	0.000
64	A	67	LYS	1	0.841	0.925	24.764	-0.100	-0.100	0.000	0.000	0.000	0.000
65	A	68	ARG	1	0.888	0.931	24.295	-0.203	-0.203	0.000	0.000	0.000	0.000
66	A	69	MET	0	-0.056	-0.003	20.921	0.001	0.001	0.000	0.000	0.000	0.000
67	A	70	GLN	0	-0.049	-0.020	25.908	-0.007	-0.007	0.000	0.000	0.000	0.000
68	A	71	GLY	0	-0.016	-0.004	28.804	-0.011	-0.011	0.000	0.000	0.000	0.000
69	A	72	TYR	0	-0.014	-0.010	30.724	-0.009	-0.009	0.000	0.000	0.000	0.000
70	A	73	ASN	0	-0.037	-0.029	31.117	0.007	0.007	0.000	0.000	0.000	0.000
71	A	74	VAL	0	-0.076	-0.027	28.708	-0.003	-0.003	0.000	0.000	0.000	0.000
72	A	75	LEU	0	0.026	0.026	31.395	0.005	0.005	0.000	0.000	0.000	0.000
73	A	76	PHE	0	0.024	0.002	24.680	-0.006	-0.006	0.000	0.000	0.000	0.000
74	A	77	PRO	0	-0.003	0.021	28.961	0.012	0.012	0.000	0.000	0.000	0.000
75	A	78	MET	0	-0.005	0.004	27.529	-0.003	-0.003	0.000	0.000	0.000	0.000
76	A	79	ALA	0	-0.020	0.015	30.667	-0.001	-0.001	0.000	0.000	0.000	0.000
77	A	80	TRP	0	-0.050	-0.056	27.444	0.003	0.003	0.000	0.000	0.000	0.000
78	A	81	HIS	0	-0.013	0.000	33.701	-0.007	-0.007	0.000	0.000	0.000	0.000
79	A	82	ILE	0	-0.043	-0.039	35.690	0.002	0.002	0.000	0.000	0.000	0.000
80	A	83	THR	0	-0.055	-0.065	38.148	-0.002	-0.002	0.000	0.000	0.000	0.000
81	A	84	GLY	0	0.048	0.023	41.086	0.000	0.000	0.000	0.000	0.000	0.000
82	A	85	SER	0	0.045	0.027	41.832	0.000	0.000	0.000	0.000	0.000	0.000
83	A	86	PRO	0	0.019	0.019	37.991	-0.001	-0.001	0.000	0.000	0.000	0.000
84	A	87	ILE	0	0.047	0.020	36.359	-0.002	-0.002	0.000	0.000	0.000	0.000
85	A	88	VAL	0	0.039	0.022	38.597	-0.001	-0.001	0.000	0.000	0.000	0.000
86	A	89	GLY	0	0.080	0.048	42.153	-0.001	-0.001	0.000	0.000	0.000	0.000
87	A	90	ILE	0	-0.112	-0.081	35.611	-0.002	-0.002	0.000	0.000	0.000	0.000
88	A	91	ALA	0	0.003	0.021	39.402	-0.001	-0.001	0.000	0.000	0.000	0.000
89	A	92	GLU	-1	-0.840	-0.940	40.569	0.038	0.038	0.000	0.000	0.000	0.000
90	A	93	ARG	1	0.840	0.953	39.185	-0.040	-0.040	0.000	0.000	0.000	0.000
91	A	94	ILE	0	0.025	0.021	36.448	-0.002	-0.002	0.000	0.000	0.000	0.000
92	A	95	LYS	1	0.946	1.000	39.642	-0.035	-0.035	0.000	0.000	0.000	0.000
93	A	96	ASN	0	-0.121	-0.061	42.875	-0.001	-0.001	0.000	0.000	0.000	0.000
94	A	97	ARG	1	0.902	0.950	39.808	-0.035	-0.035	0.000	0.000	0.000	0.000
95	A	98	ASP	-1	-0.860	-0.935	39.760	0.025	0.025	0.000	0.000	0.000	0.000
96	A	99	PRO	0	0.048	0.025	38.368	0.002	0.002	0.000	0.000	0.000	0.000
97	A	100	LYS	1	0.989	0.991	35.827	-0.028	-0.028	0.000	0.000	0.000	0.000
98	A	101	THR	0	-0.021	-0.030	34.854	0.002	0.002	0.000	0.000	0.000	0.000
99	A	102	ILE	0	0.029	0.023	34.212	0.004	0.004	0.000	0.000	0.000	0.000
100	A	103	TRP	0	0.039	0.017	29.309	0.004	0.004	0.000	0.000	0.000	0.000
101	A	104	ILE	0	-0.041	-0.030	30.386	0.002	0.002	0.000	0.000	0.000	0.000
102	A	105	TYR	0	-0.047	-0.036	29.648	0.004	0.004	0.000	0.000	0.000	0.000
103	A	106	ARG	1	0.868	0.953	28.946	-0.027	-0.027	0.000	0.000	0.000	0.000
104	A	107	ASP	-1	-0.913	-0.952	26.634	0.034	0.034	0.000	0.000	0.000	0.000
105	A	108	VAL	0	-0.061	-0.023	25.153	0.003	0.003	0.000	0.000	0.000	0.000
106	A	109	TYR	0	-0.079	-0.039	24.505	0.003	0.003	0.000	0.000	0.000	0.000
107	A	110	LYS	1	0.915	0.965	19.513	-0.069	-0.069	0.000	0.000	0.000	0.000
108	A	111	VAL	0	0.024	0.020	25.407	0.010	0.010	0.000	0.000	0.000	0.000
109	A	112	PRO	0	-0.024	-0.025	26.753	-0.006	-0.006	0.000	0.000	0.000	0.000
110	A	113	GLU	-1	-0.830	-0.931	28.768	0.038	0.038	0.000	0.000	0.000	0.000
111	A	114	GLU	-1	-0.903	-0.932	31.589	0.046	0.046	0.000	0.000	0.000	0.000
112	A	115	ILE	0	0.040	-0.001	29.332	0.000	0.000	0.000	0.000	0.000	0.000
113	A	116	LEU	0	-0.011	0.060	32.301	0.000	0.000	0.000	0.000	0.000	0.000
114	A	117	TRP	0	0.056	0.008	33.824	-0.002	-0.002	0.000	0.000	0.000	0.000
115	A	118	THR	0	-0.114	-0.079	35.515	-0.001	-0.001	0.000	0.000	0.000	0.000
116	A	119	PHE	0	0.021	-0.015	31.802	0.003	0.003	0.000	0.000	0.000	0.000
117	A	120	GLU	-1	-0.928	-0.967	37.822	0.036	0.036	0.000	0.000	0.000	0.000
118	A	121	ASP	-1	-0.887	-0.929	40.173	0.052	0.052	0.000	0.000	0.000	0.000
119	A	122	PRO	0	0.099	0.021	39.322	0.003	0.003	0.000	0.000	0.000	0.000
120	A	123	ILE	0	0.009	0.017	38.241	0.005	0.005	0.000	0.000	0.000	0.000
121	A	124	ASN	0	-0.008	-0.022	36.497	0.007	0.007	0.000	0.000	0.000	0.000
122	A	125	ILE	0	-0.048	-0.031	34.136	0.006	0.006	0.000	0.000	0.000	0.000
123	A	126	VAL	0	-0.062	-0.028	33.684	0.005	0.005	0.000	0.000	0.000	0.000
124	A	127	LYS	1	0.967	0.991	34.192	-0.074	-0.074	0.000	0.000	0.000	0.000
125	A	128	TYR	0	-0.059	-0.040	26.167	0.011	0.011	0.000	0.000	0.000	0.000
126	A	129	PHE	0	0.047	0.006	27.600	0.007	0.007	0.000	0.000	0.000	0.000
127	A	130	MET	0	0.012	0.037	28.903	0.004	0.004	0.000	0.000	0.000	0.000
128	A	131	LYS	1	0.877	0.948	26.756	-0.122	-0.122	0.000	0.000	0.000	0.000
129	A	132	ALA	0	0.030	0.011	25.163	0.013	0.013	0.000	0.000	0.000	0.000
130	A	133	ALA	0	0.013	0.053	24.222	0.012	0.012	0.000	0.000	0.000	0.000
131	A	134	LYS	1	0.942	0.979	24.318	-0.137	-0.137	0.000	0.000	0.000	0.000
132	A	135	GLU	-1	-0.880	-0.947	22.396	0.188	0.188	0.000	0.000	0.000	0.000
133	A	136	THR	0	-0.016	-0.032	19.415	0.032	0.032	0.000	0.000	0.000	0.000
134	A	137	PHE	0	-0.030	-0.039	19.912	0.019	0.019	0.000	0.000	0.000	0.000
135	A	138	ILE	0	0.014	0.011	20.585	0.022	0.022	0.000	0.000	0.000	0.000
136	A	139	ARG	1	0.829	0.914	14.131	-0.344	-0.344	0.000	0.000	0.000	0.000
137	A	140	ALA	0	-0.030	-0.016	15.784	0.056	0.056	0.000	0.000	0.000	0.000
138	A	141	GLY	0	0.003	0.003	17.107	0.012	0.012	0.000	0.000	0.000	0.000
139	A	142	PHE	0	-0.043	-0.001	18.379	0.001	0.001	0.000	0.000	0.000	0.000
140	A	143	SER	0	-0.083	-0.034	21.611	-0.005	-0.005	0.000	0.000	0.000	0.000
141	A	144	VAL	0	-0.020	-0.047	23.904	-0.014	-0.014	0.000	0.000	0.000	0.000
142	A	145	ASP	-1	-0.712	-0.830	26.474	0.141	0.141	0.000	0.000	0.000	0.000
143	A	146	TRP	0	-0.010	-0.036	24.375	-0.017	-0.017	0.000	0.000	0.000	0.000
144	A	147	SER	0	-0.045	0.038	30.044	-0.011	-0.011	0.000	0.000	0.000	0.000
145	A	148	ARG	1	0.737	0.847	33.083	-0.116	-0.116	0.000	0.000	0.000	0.000
146	A	149	GLU	-1	-0.774	-0.883	31.636	0.135	0.135	0.000	0.000	0.000	0.000
147	A	150	PHE	0	-0.034	-0.024	34.263	-0.005	-0.005	0.000	0.000	0.000	0.000
148	A	151	TYR	0	0.009	0.007	35.389	0.006	0.006	0.000	0.000	0.000	0.000
149	A	152	THR	0	0.028	0.028	37.146	-0.005	-0.005	0.000	0.000	0.000	0.000
150	A	153	THR	0	0.038	0.010	40.044	-0.001	-0.001	0.000	0.000	0.000	0.000
151	A	154	SER	0	0.050	0.028	43.477	0.002	0.002	0.000	0.000	0.000	0.000
152	A	155	LEU	0	0.001	0.001	41.990	0.000	0.000	0.000	0.000	0.000	0.000
153	A	156	PHE	0	-0.052	-0.017	38.109	0.002	0.002	0.000	0.000	0.000	0.000
154	A	157	PRO	0	0.012	-0.010	42.919	0.000	0.000	0.000	0.000	0.000	0.000
155	A	158	PRO	0	0.044	0.021	43.394	-0.002	-0.002	0.000	0.000	0.000	0.000
156	A	159	PHE	0	0.038	0.026	41.221	0.000	0.000	0.000	0.000	0.000	0.000
157	A	160	SER	0	0.007	-0.001	44.105	-0.003	-0.003	0.000	0.000	0.000	0.000
158	A	161	LYS	1	0.919	0.992	46.820	-0.047	-0.047	0.000	0.000	0.000	0.000
159	A	162	PHE	0	0.002	-0.002	43.801	-0.001	-0.001	0.000	0.000	0.000	0.000
160	A	163	ILE	0	-0.050	-0.040	44.217	-0.002	-0.002	0.000	0.000	0.000	0.000
161	A	164	GLU	-1	-0.919	-0.974	47.394	0.041	0.041	0.000	0.000	0.000	0.000
162	A	165	TRP	0	-0.088	-0.039	48.165	-0.001	-0.001	0.000	0.000	0.000	0.000
163	A	166	GLN	0	0.015	-0.003	46.359	-0.002	-0.002	0.000	0.000	0.000	0.000
164	A	167	PHE	0	0.036	-0.011	47.774	-0.002	-0.002	0.000	0.000	0.000	0.000
165	A	168	TRP	0	0.005	0.006	52.470	-0.003	-0.003	0.000	0.000	0.000	0.000
166	A	169	LYS	1	0.888	0.967	53.158	-0.041	-0.041	0.000	0.000	0.000	0.000
167	A	170	LEU	0	-0.053	-0.026	50.528	-0.001	-0.001	0.000	0.000	0.000	0.000
168	A	171	LYS	1	0.856	0.935	54.926	-0.032	-0.032	0.000	0.000	0.000	0.000
169	A	172	GLU	-1	-0.858	-0.921	58.065	0.033	0.033	0.000	0.000	0.000	0.000
170	A	173	LYS	1	0.865	0.933	56.191	-0.033	-0.033	0.000	0.000	0.000	0.000
171	A	174	GLY	0	-0.015	0.008	59.074	-0.001	-0.001	0.000	0.000	0.000	0.000
172	A	175	TYR	0	0.016	0.009	54.763	0.000	0.000	0.000	0.000	0.000	0.000
173	A	176	ILE	0	-0.041	0.003	54.326	0.000	0.000	0.000	0.000	0.000	0.000
174	A	177	VAL	0	-0.018	-0.005	57.331	-0.001	-0.001	0.000	0.000	0.000	0.000
175	A	178	LYS	1	0.944	0.983	58.432	-0.024	-0.024	0.000	0.000	0.000	0.000
176	A	179	GLY	0	-0.047	-0.023	60.529	-0.001	-0.001	0.000	0.000	0.000	0.000
177	A	180	ALA	0	0.034	0.036	60.521	0.000	0.000	0.000	0.000	0.000	0.000
178	A	181	HIS	0	-0.016	-0.043	52.993	0.002	0.002	0.000	0.000	0.000	0.000
179	A	182	ARG	1	0.974	1.026	54.906	-0.020	-0.020	0.000	0.000	0.000	0.000
180	A	183	VAL	0	-0.018	-0.037	51.819	0.001	0.001	0.000	0.000	0.000	0.000
181	A	184	ARG	1	0.883	0.942	48.471	-0.023	-0.023	0.000	0.000	0.000	0.000
182	A	185	TRP	0	0.024	-0.011	52.990	0.002	0.002	0.000	0.000	0.000	0.000
183	A	186	ASP	-1	-0.723	-0.886	52.631	0.019	0.019	0.000	0.000	0.000	0.000
184	A	187	PRO	0	-0.074	-0.043	54.583	0.001	0.001	0.000	0.000	0.000	0.000
185	A	188	VAL	0	-0.032	-0.014	53.984	-0.001	-0.001	0.000	0.000	0.000	0.000
186	A	189	VAL	0	-0.010	0.006	56.781	-0.001	-0.001	0.000	0.000	0.000	0.000
187	A	190	GLY	0	-0.037	-0.016	56.815	0.000	0.000	0.000	0.000	0.000	0.000
188	A	191	THR	0	-0.008	-0.013	51.145	0.002	0.002	0.000	0.000	0.000	0.000
189	A	192	PRO	0	-0.047	-0.018	50.633	-0.001	-0.001	0.000	0.000	0.000	0.000
190	A	193	LEU	0	0.002	0.007	48.806	0.001	0.001	0.000	0.000	0.000	0.000
191	A	194	GLY	0	-0.040	0.000	46.331	-0.001	-0.001	0.000	0.000	0.000	0.000
192	A	195	ASP	-1	-0.903	-0.955	44.778	0.028	0.028	0.000	0.000	0.000	0.000
193	A	196	HIS	0	-0.038	-0.015	41.944	0.002	0.002	0.000	0.000	0.000	0.000
194	A	197	ASP	-1	-0.918	-0.978	43.475	0.029	0.029	0.000	0.000	0.000	0.000
195	A	198	LEU	0	-0.107	0.000	45.771	-0.001	-0.001	0.000	0.000	0.000	0.000
196	A	199	MET	0	-0.032	0.001	45.487	0.000	0.000	0.000	0.000	0.000	0.000
197	A	200	GLU	-1	-0.945	-0.999	46.205	0.009	0.009	0.000	0.000	0.000	0.000
198	A	201	GLY	0	0.034	0.013	47.116	0.001	0.001	0.000	0.000	0.000	0.000
199	A	202	GLU	-1	-0.770	-0.936	44.120	0.024	0.024	0.000	0.000	0.000	0.000
200	A	203	ASP	-1	-0.950	-0.964	44.868	0.019	0.019	0.000	0.000	0.000	0.000
201	A	204	VAL	0	-0.082	-0.024	47.728	-0.001	-0.001	0.000	0.000	0.000	0.000
202	A	205	PRO	0	-0.002	-0.003	51.506	0.001	0.001	0.000	0.000	0.000	0.000
203	A	206	ILE	0	-0.029	-0.024	52.939	0.000	0.000	0.000	0.000	0.000	0.000
204	A	207	LEU	0	-0.046	-0.009	55.616	0.000	0.000	0.000	0.000	0.000	0.000
205	A	208	ASP	-1	-0.817	-0.933	58.769	0.017	0.017	0.000	0.000	0.000	0.000
206	A	209	TYR	0	-0.022	-0.018	61.778	0.000	0.000	0.000	0.000	0.000	0.000
207	A	210	ILE	0	0.026	0.022	64.708	0.000	0.000	0.000	0.000	0.000	0.000
208	A	211	ILE	0	-0.037	-0.030	67.605	-0.001	-0.001	0.000	0.000	0.000	0.000
209	A	212	ILE	0	0.027	0.000	70.753	0.000	0.000	0.000	0.000	0.000	0.000
210	A	213	LYS	1	0.825	0.928	74.119	-0.011	-0.011	0.000	0.000	0.000	0.000
211	A	214	PHE	0	0.076	0.028	76.379	0.000	0.000	0.000	0.000	0.000	0.000
212	A	215	GLU	-1	-0.949	-0.980	79.549	0.009	0.009	0.000	0.000	0.000	0.000
213	A	216	LEU	0	0.013	0.031	82.903	0.000	0.000	0.000	0.000	0.000	0.000
214	A	217	ARG	1	0.906	0.958	84.998	-0.008	-0.008	0.000	0.000	0.000	0.000
215	A	218	GLU	-1	-0.780	-0.886	88.041	0.006	0.006	0.000	0.000	0.000	0.000
216	A	219	ASN	0	-0.089	-0.036	90.182	0.000	0.000	0.000	0.000	0.000	0.000
217	A	220	GLY	0	-0.003	-0.015	91.770	0.000	0.000	0.000	0.000	0.000	0.000
218	A	221	GLU	-1	-0.846	-0.927	89.283	0.008	0.008	0.000	0.000	0.000	0.000
219	A	222	VAL	0	-0.112	-0.056	84.672	0.000	0.000	0.000	0.000	0.000	0.000
220	A	223	ILE	0	0.016	0.003	81.486	0.000	0.000	0.000	0.000	0.000	0.000
221	A	224	TYR	0	-0.019	-0.003	78.357	0.000	0.000	0.000	0.000	0.000	0.000
222	A	225	LEU	0	0.020	0.013	77.355	0.000	0.000	0.000	0.000	0.000	0.000
223	A	226	PRO	0	-0.039	-0.018	73.198	0.000	0.000	0.000	0.000	0.000	0.000
224	A	227	ALA	0	0.068	0.037	72.926	0.000	0.000	0.000	0.000	0.000	0.000
225	A	228	ALA	0	-0.022	-0.006	67.994	0.000	0.000	0.000	0.000	0.000	0.000
226	A	229	THR	0	0.026	0.041	68.441	0.000	0.000	0.000	0.000	0.000	0.000
227	A	230	LEU	0	-0.007	-0.011	62.498	0.000	0.000	0.000	0.000	0.000	0.000
228	A	231	ARG	1	0.804	0.897	65.808	-0.007	-0.007	0.000	0.000	0.000	0.000
229	A	232	PRO	0	0.085	0.029	67.556	0.000	0.000	0.000	0.000	0.000	0.000
230	A	233	GLU	-1	-0.784	-0.925	68.967	0.008	0.008	0.000	0.000	0.000	0.000
231	A	234	THR	0	-0.012	-0.019	71.543	0.000	0.000	0.000	0.000	0.000	0.000
232	A	235	VAL	0	0.044	0.018	73.977	0.000	0.000	0.000	0.000	0.000	0.000
233	A	236	TYR	0	-0.054	-0.041	76.371	0.000	0.000	0.000	0.000	0.000	0.000
234	A	237	GLY	0	0.000	-0.008	77.783	0.000	0.000	0.000	0.000	0.000	0.000
235	A	238	VAL	0	-0.026	-0.008	78.208	0.000	0.000	0.000	0.000	0.000	0.000
236	A	239	THR	0	0.012	0.007	79.342	0.000	0.000	0.000	0.000	0.000	0.000
237	A	240	ASN	0	0.002	-0.011	79.662	0.000	0.000	0.000	0.000	0.000	0.000
238	A	241	MET	0	-0.029	-0.006	77.444	0.000	0.000	0.000	0.000	0.000	0.000
239	A	242	TRP	0	0.050	0.070	74.412	0.000	0.000	0.000	0.000	0.000	0.000
240	A	243	VAL	0	-0.013	-0.012	75.306	0.000	0.000	0.000	0.000	0.000	0.000
241	A	244	ASN	0	-0.028	-0.039	71.765	-0.001	-0.001	0.000	0.000	0.000	0.000
242	A	245	PRO	0	-0.044	-0.018	75.567	0.000	0.000	0.000	0.000	0.000	0.000
243	A	246	ASN	0	-0.001	-0.001	72.774	0.000	0.000	0.000	0.000	0.000	0.000
244	A	247	ALA	0	0.030	0.041	71.864	0.000	0.000	0.000	0.000	0.000	0.000
245	A	248	THR	0	-0.030	-0.008	73.534	0.000	0.000	0.000	0.000	0.000	0.000
246	A	249	TYR	0	0.009	-0.002	73.452	0.000	0.000	0.000	0.000	0.000	0.000
247	A	250	VAL	0	-0.037	-0.019	74.137	0.000	0.000	0.000	0.000	0.000	0.000
248	A	251	LYS	1	0.963	0.999	76.975	-0.008	-0.008	0.000	0.000	0.000	0.000
249	A	252	ALA	0	-0.021	-0.013	75.956	0.000	0.000	0.000	0.000	0.000	0.000
250	A	253	LYS	1	0.893	0.977	77.904	-0.010	-0.010	0.000	0.000	0.000	0.000
251	A	254	VAL	0	0.001	-0.001	72.499	0.000	0.000	0.000	0.000	0.000	0.000
252	A	255	ARG	1	0.901	0.959	74.274	-0.013	-0.013	0.000	0.000	0.000	0.000
253	A	256	ARG	1	0.891	0.952	66.321	-0.016	-0.016	0.000	0.000	0.000	0.000
254	A	257	LYS	1	0.891	0.938	70.090	-0.017	-0.017	0.000	0.000	0.000	0.000
255	A	258	ASP	-1	-0.920	-0.952	73.050	0.014	0.014	0.000	0.000	0.000	0.000
256	A	259	LYS	1	0.945	0.978	76.515	-0.012	-0.012	0.000	0.000	0.000	0.000
257	A	260	GLU	-1	-0.838	-0.929	76.744	0.012	0.012	0.000	0.000	0.000	0.000
258	A	261	GLU	-1	-0.862	-0.907	77.149	0.011	0.011	0.000	0.000	0.000	0.000
259	A	262	THR	0	-0.025	-0.022	78.827	0.000	0.000	0.000	0.000	0.000	0.000
260	A	263	TRP	0	-0.076	-0.067	71.470	0.000	0.000	0.000	0.000	0.000	0.000
261	A	264	ILE	0	0.028	0.006	77.651	0.000	0.000	0.000	0.000	0.000	0.000
262	A	265	VAL	0	-0.017	-0.004	71.991	0.000	0.000	0.000	0.000	0.000	0.000
263	A	266	SER	0	0.038	-0.040	69.859	0.000	0.000	0.000	0.000	0.000	0.000
264	A	267	LYS	1	1.025	1.024	70.714	-0.009	-0.009	0.000	0.000	0.000	0.000
265	A	268	GLU	-1	-0.839	-0.939	65.973	0.010	0.010	0.000	0.000	0.000	0.000
266	A	269	ALA	0	0.029	0.010	66.751	0.001	0.001	0.000	0.000	0.000	0.000
267	A	270	ALA	0	-0.029	-0.002	68.347	0.001	0.001	0.000	0.000	0.000	0.000
268	A	271	TYR	0	-0.026	-0.021	61.973	0.001	0.001	0.000	0.000	0.000	0.000
269	A	272	LYS	1	0.886	0.953	62.097	-0.011	-0.011	0.000	0.000	0.000	0.000
270	A	273	LEU	0	-0.019	-0.026	64.237	0.001	0.001	0.000	0.000	0.000	0.000
271	A	274	SER	0	-0.022	0.007	66.530	0.001	0.001	0.000	0.000	0.000	0.000
272	A	275	PHE	0	0.009	0.012	61.318	0.001	0.001	0.000	0.000	0.000	0.000
273	A	276	GLN	0	-0.031	-0.010	62.374	0.001	0.001	0.000	0.000	0.000	0.000
274	A	277	ASP	-1	-0.902	-0.972	64.380	0.018	0.018	0.000	0.000	0.000	0.000
275	A	278	ARG	1	0.897	0.942	66.051	-0.014	-0.014	0.000	0.000	0.000	0.000
276	A	279	GLU	-1	-0.882	-0.908	69.555	0.014	0.014	0.000	0.000	0.000	0.000
277	A	280	ILE	0	-0.015	-0.020	69.815	0.000	0.000	0.000	0.000	0.000	0.000
278	A	281	GLU	-1	-0.941	-0.953	72.893	0.013	0.013	0.000	0.000	0.000	0.000
279	A	282	VAL	0	-0.002	-0.030	74.155	0.000	0.000	0.000	0.000	0.000	0.000
280	A	283	ILE	0	-0.073	-0.042	76.676	0.000	0.000	0.000	0.000	0.000	0.000
281	A	284	GLU	-1	-0.969	-0.982	79.649	0.007	0.007	0.000	0.000	0.000	0.000
282	A	285	GLU	-1	-0.874	-0.925	76.557	0.009	0.009	0.000	0.000	0.000	0.000
283	A	286	PHE	0	-0.067	-0.047	78.337	0.000	0.000	0.000	0.000	0.000	0.000
284	A	287	LYS	1	0.884	0.911	79.220	-0.006	-0.006	0.000	0.000	0.000	0.000
285	A	288	GLY	0	0.113	0.073	78.116	0.000	0.000	0.000	0.000	0.000	0.000
286	A	289	GLU	-1	-0.850	-0.935	78.844	0.005	0.005	0.000	0.000	0.000	0.000
287	A	290	LYS	1	0.851	0.934	81.860	-0.006	-0.006	0.000	0.000	0.000	0.000
288	A	291	LEU	0	-0.008	-0.005	78.415	0.000	0.000	0.000	0.000	0.000	0.000
289	A	292	ILE	0	-0.018	0.023	80.429	0.000	0.000	0.000	0.000	0.000	0.000
290	A	293	GLY	0	0.011	0.020	83.789	0.000	0.000	0.000	0.000	0.000	0.000
291	A	294	LYS	1	0.798	0.877	85.329	-0.006	-0.006	0.000	0.000	0.000	0.000
292	A	295	TYR	0	0.029	0.021	85.686	0.000	0.000	0.000	0.000	0.000	0.000
293	A	296	VAL	0	-0.032	-0.051	81.444	0.000	0.000	0.000	0.000	0.000	0.000
294	A	297	ARG	1	0.906	0.967	84.088	-0.007	-0.007	0.000	0.000	0.000	0.000
295	A	298	ASN	0	0.009	-0.006	79.738	0.001	0.001	0.000	0.000	0.000	0.000
296	A	299	PRO	0	-0.034	-0.007	79.019	0.000	0.000	0.000	0.000	0.000	0.000
297	A	300	VAL	0	-0.051	-0.019	78.204	0.000	0.000	0.000	0.000	0.000	0.000
298	A	301	SER	0	-0.044	-0.039	80.386	0.000	0.000	0.000	0.000	0.000	0.000
299	A	302	GLY	0	-0.033	-0.028	83.386	0.000	0.000	0.000	0.000	0.000	0.000
300	A	303	ASP	-1	-0.930	-0.937	84.340	0.006	0.006	0.000	0.000	0.000	0.000
301	A	304	GLU	-1	-0.895	-0.973	85.840	0.007	0.007	0.000	0.000	0.000	0.000
302	A	305	VAL	0	-0.002	0.017	81.781	0.000	0.000	0.000	0.000	0.000	0.000
303	A	306	ILE	0	0.072	0.047	84.254	0.000	0.000	0.000	0.000	0.000	0.000
304	A	307	ILE	0	-0.019	-0.005	80.219	0.000	0.000	0.000	0.000	0.000	0.000
305	A	308	LEU	0	0.023	0.005	80.335	0.000	0.000	0.000	0.000	0.000	0.000
306	A	309	PRO	0	-0.020	-0.028	79.177	0.000	0.000	0.000	0.000	0.000	0.000
307	A	310	ALA	0	0.007	-0.003	74.773	0.000	0.000	0.000	0.000	0.000	0.000
308	A	311	GLU	-1	-0.917	-0.979	73.306	0.004	0.004	0.000	0.000	0.000	0.000
309	A	312	PHE	0	0.007	-0.005	69.666	0.000	0.000	0.000	0.000	0.000	0.000
310	A	313	VAL	0	-0.033	0.011	68.992	0.000	0.000	0.000	0.000	0.000	0.000
311	A	314	ASP	-1	-0.861	-0.941	64.640	0.008	0.008	0.000	0.000	0.000	0.000
312	A	315	PRO	0	0.037	0.005	67.679	0.000	0.000	0.000	0.000	0.000	0.000
313	A	316	ASP	-1	-0.994	-0.997	63.262	0.010	0.010	0.000	0.000	0.000	0.000
314	A	317	ASN	0	-0.021	-0.007	63.482	0.002	0.002	0.000	0.000	0.000	0.000
315	A	318	ALA	0	0.042	-0.005	64.494	0.000	0.000	0.000	0.000	0.000	0.000
316	A	319	THR	0	0.039	-0.024	66.290	0.000	0.000	0.000	0.000	0.000	0.000
317	A	320	GLY	0	0.049	0.077	69.450	0.000	0.000	0.000	0.000	0.000	0.000
318	A	321	VAL	0	-0.074	-0.006	70.943	0.000	0.000	0.000	0.000	0.000	0.000
319	A	322	VAL	0	0.039	0.007	70.809	0.000	0.000	0.000	0.000	0.000	0.000
320	A	323	MET	0	-0.045	-0.009	73.138	0.000	0.000	0.000	0.000	0.000	0.000
321	A	324	SER	0	-0.026	-0.007	74.115	0.000	0.000	0.000	0.000	0.000	0.000
322	A	325	VAL	0	-0.068	-0.036	74.638	0.000	0.000	0.000	0.000	0.000	0.000
323	A	326	PRO	0	0.086	0.008	74.931	0.000	0.000	0.000	0.000	0.000	0.000
324	A	327	ALA	0	-0.029	0.038	76.321	0.000	0.000	0.000	0.000	0.000	0.000
325	A	328	HIS	0	-0.090	-0.065	72.016	0.000	0.000	0.000	0.000	0.000	0.000
326	A	329	ALA	0	0.027	0.008	70.021	0.000	0.000	0.000	0.000	0.000	0.000
327	A	330	PRO	0	0.049	0.034	68.943	0.000	0.000	0.000	0.000	0.000	0.000
328	A	331	PHE	0	-0.016	-0.017	66.017	0.000	0.000	0.000	0.000	0.000	0.000
329	A	332	ASP	-1	-0.796	-0.878	71.197	0.006	0.006	0.000	0.000	0.000	0.000
330	A	333	HIS	0	0.075	0.002	74.709	0.000	0.000	0.000	0.000	0.000	0.000
331	A	334	VAL	0	-0.082	-0.029	72.087	0.000	0.000	0.000	0.000	0.000	0.000
332	A	335	ALA	0	0.007	-0.005	75.200	0.000	0.000	0.000	0.000	0.000	0.000
333	A	336	LEU	0	-0.017	0.025	77.690	0.000	0.000	0.000	0.000	0.000	0.000
334	A	337	GLU	-1	-0.975	-0.954	78.407	0.001	0.001	0.000	0.000	0.000	0.000
335	A	338	ASP	-1	-0.900	-0.954	80.765	0.002	0.002	0.000	0.000	0.000	0.000
336	A	339	LEU	0	-0.013	-0.038	80.541	0.000	0.000	0.000	0.000	0.000	0.000
337	A	340	LYN	0	-0.109	-0.051	80.730	0.000	0.000	0.000	0.000	0.000	0.000
338	A	341	ARG	1	0.924	0.947	84.646	-0.002	-0.002	0.000	0.000	0.000	0.000
339	A	342	GLU	-1	-0.908	-0.939	84.860	0.003	0.003	0.000	0.000	0.000	0.000
340	A	343	THR	0	-0.120	-0.069	86.661	0.000	0.000	0.000	0.000	0.000	0.000
341	A	344	GLU	-1	-0.876	-0.925	89.222	0.004	0.004	0.000	0.000	0.000	0.000
342	A	345	ILE	0	0.023	0.013	89.751	0.000	0.000	0.000	0.000	0.000	0.000
343	A	346	LEU	0	-0.107	-0.063	91.181	0.000	0.000	0.000	0.000	0.000	0.000
344	A	347	GLU	-1	-0.766	-0.891	85.869	0.003	0.003	0.000	0.000	0.000	0.000
345	A	348	LYS	1	0.880	0.958	86.562	-0.002	-0.002	0.000	0.000	0.000	0.000
346	A	349	TYR	0	-0.170	-0.082	87.681	0.000	0.000	0.000	0.000	0.000	0.000
347	A	350	ASP	-1	-0.896	-0.934	84.733	0.004	0.004	0.000	0.000	0.000	0.000
348	A	351	ILE	0	-0.056	-0.041	86.213	0.000	0.000	0.000	0.000	0.000	0.000
349	A	352	ASP	-1	-0.871	-0.931	80.975	0.004	0.004	0.000	0.000	0.000	0.000
350	A	353	PRO	0	-0.060	-0.022	81.632	0.000	0.000	0.000	0.000	0.000	0.000
351	A	354	ARG	1	0.914	0.924	76.751	-0.004	-0.004	0.000	0.000	0.000	0.000
352	A	355	ILE	0	-0.023	0.014	74.713	0.000	0.000	0.000	0.000	0.000	0.000
353	A	356	VAL	0	-0.060	-0.031	72.079	0.000	0.000	0.000	0.000	0.000	0.000
354	A	373	PHE	0	-0.017	-0.015	68.501	0.000	0.000	0.000	0.000	0.000	0.000
355	A	374	PRO	0	-0.014	-0.021	72.577	0.000	0.000	0.000	0.000	0.000	0.000
356	A	375	ALA	0	0.066	0.018	76.072	0.000	0.000	0.000	0.000	0.000	0.000
357	A	376	VAL	0	-0.015	0.002	76.952	0.000	0.000	0.000	0.000	0.000	0.000
358	A	377	GLU	-1	-0.841	-0.943	72.360	0.003	0.003	0.000	0.000	0.000	0.000
359	A	378	GLU	-1	-0.647	-0.816	74.876	0.003	0.003	0.000	0.000	0.000	0.000
360	A	379	VAL	0	-0.167	-0.096	73.764	0.000	0.000	0.000	0.000	0.000	0.000
361	A	380	ASN	0	-0.068	-0.036	68.416	0.000	0.000	0.000	0.000	0.000	0.000
362	A	381	LYS	1	0.941	0.982	70.556	-0.002	-0.002	0.000	0.000	0.000	0.000
363	A	382	LEU	0	-0.014	-0.013	71.963	0.000	0.000	0.000	0.000	0.000	0.000
364	A	383	GLY	0	-0.033	0.015	72.219	0.000	0.000	0.000	0.000	0.000	0.000
365	A	384	ILE	0	-0.046	-0.027	66.777	0.000	0.000	0.000	0.000	0.000	0.000
366	A	385	LYS	1	0.926	0.956	69.506	0.002	0.002	0.000	0.000	0.000	0.000
367	A	386	SER	0	-0.052	-0.020	70.366	0.000	0.000	0.000	0.000	0.000	0.000
368	A	387	GLN	0	-0.016	-0.014	71.849	0.000	0.000	0.000	0.000	0.000	0.000
369	A	388	LYS	1	1.029	1.031	74.433	-0.002	-0.002	0.000	0.000	0.000	0.000
370	A	389	ASP	-1	-0.818	-0.921	70.653	0.004	0.004	0.000	0.000	0.000	0.000
371	A	390	LYS	1	0.855	0.911	67.966	-0.001	-0.001	0.000	0.000	0.000	0.000
372	A	391	GLU	-1	-0.766	-0.876	61.128	0.004	0.004	0.000	0.000	0.000	0.000
373	A	392	LYS	1	0.877	0.946	61.679	0.000	0.000	0.000	0.000	0.000	0.000
374	A	393	LEU	0	0.049	0.019	64.115	0.000	0.000	0.000	0.000	0.000	0.000
375	A	394	GLU	-1	-0.942	-0.947	60.585	0.005	0.005	0.000	0.000	0.000	0.000
376	A	395	GLN	0	-0.042	-0.010	60.353	0.000	0.000	0.000	0.000	0.000	0.000
377	A	396	ALA	0	-0.011	-0.016	61.990	0.000	0.000	0.000	0.000	0.000	0.000
378	A	397	THR	0	0.027	-0.001	64.901	0.000	0.000	0.000	0.000	0.000	0.000
379	A	398	LYS	1	0.911	0.945	60.501	-0.008	-0.008	0.000	0.000	0.000	0.000
380	A	399	THR	0	-0.050	-0.018	62.583	0.000	0.000	0.000	0.000	0.000	0.000
381	A	400	ILE	0	0.021	0.008	63.586	0.000	0.000	0.000	0.000	0.000	0.000
382	A	401	TYR	0	-0.031	-0.016	61.608	0.000	0.000	0.000	0.000	0.000	0.000
383	A	402	LYS	1	0.939	0.971	58.720	-0.007	-0.007	0.000	0.000	0.000	0.000
384	A	403	ALA	0	0.055	0.022	63.344	0.000	0.000	0.000	0.000	0.000	0.000
385	A	404	GLU	-1	-0.873	-0.943	65.578	0.005	0.005	0.000	0.000	0.000	0.000
386	A	405	TYR	0	-0.077	-0.030	61.034	0.001	0.001	0.000	0.000	0.000	0.000
387	A	406	HIS	0	-0.028	-0.036	59.758	0.000	0.000	0.000	0.000	0.000	0.000
388	A	407	LYS	1	0.916	0.959	64.564	-0.004	-0.004	0.000	0.000	0.000	0.000
389	A	408	GLY	0	0.078	0.030	67.545	0.000	0.000	0.000	0.000	0.000	0.000
390	A	409	ILE	0	-0.054	-0.009	70.361	0.000	0.000	0.000	0.000	0.000	0.000
391	A	410	PHE	0	0.012	0.018	73.493	0.000	0.000	0.000	0.000	0.000	0.000
392	A	411	LYS	1	0.985	0.980	75.443	-0.005	-0.005	0.000	0.000	0.000	0.000
393	A	412	VAL	0	-0.014	-0.004	77.931	0.000	0.000	0.000	0.000	0.000	0.000
394	A	413	PRO	0	0.044	0.033	80.780	0.000	0.000	0.000	0.000	0.000	0.000
395	A	414	PRO	0	-0.023	-0.017	79.985	0.000	0.000	0.000	0.000	0.000	0.000
396	A	415	TYR	0	0.020	0.006	75.376	0.000	0.000	0.000	0.000	0.000	0.000
397	A	416	GLU	-1	-0.835	-0.925	77.789	0.006	0.006	0.000	0.000	0.000	0.000
398	A	417	GLY	0	-0.095	-0.049	76.510	0.000	0.000	0.000	0.000	0.000	0.000
399	A	418	LYS	1	0.915	0.957	71.918	-0.009	-0.009	0.000	0.000	0.000	0.000
400	A	419	PRO	0	0.032	0.026	67.917	0.000	0.000	0.000	0.000	0.000	0.000
401	A	420	VAL	0	0.098	0.057	67.766	0.000	0.000	0.000	0.000	0.000	0.000
402	A	421	GLN	0	-0.113	-0.062	62.442	0.000	0.000	0.000	0.000	0.000	0.000
403	A	422	GLU	-1	-0.857	-0.945	66.225	0.011	0.011	0.000	0.000	0.000	0.000
404	A	423	VAL	0	0.082	0.028	68.982	0.000	0.000	0.000	0.000	0.000	0.000
405	A	424	LYS	1	0.789	0.923	65.035	-0.009	-0.009	0.000	0.000	0.000	0.000
406	A	425	GLU	-1	-0.885	-0.951	65.342	0.014	0.014	0.000	0.000	0.000	0.000
407	A	426	ALA	0	-0.081	-0.075	68.351	0.000	0.000	0.000	0.000	0.000	0.000
408	A	427	ILE	0	-0.005	0.014	71.903	0.000	0.000	0.000	0.000	0.000	0.000
409	A	428	ALA	0	0.028	0.012	68.447	0.000	0.000	0.000	0.000	0.000	0.000
410	A	429	LYS	1	0.943	1.038	69.396	-0.012	-0.012	0.000	0.000	0.000	0.000
411	A	430	GLU	-1	-0.891	-0.942	70.603	0.012	0.012	0.000	0.000	0.000	0.000
412	A	431	MET	0	-0.052	-0.030	73.106	0.000	0.000	0.000	0.000	0.000	0.000
413	A	432	LEU	0	-0.021	-0.010	68.432	0.000	0.000	0.000	0.000	0.000	0.000
414	A	433	GLU	-1	-0.891	-0.925	71.575	0.015	0.015	0.000	0.000	0.000	0.000
415	A	434	LYS	1	0.839	0.926	73.958	-0.010	-0.010	0.000	0.000	0.000	0.000
416	A	435	GLY	0	-0.017	-0.006	74.914	0.000	0.000	0.000	0.000	0.000	0.000
417	A	436	ILE	0	-0.080	-0.047	75.973	0.000	0.000	0.000	0.000	0.000	0.000
418	A	437	ALA	0	0.005	-0.026	72.222	0.000	0.000	0.000	0.000	0.000	0.000
419	A	438	GLU	-1	-0.929	-0.959	70.065	0.014	0.014	0.000	0.000	0.000	0.000
420	A	439	ILE	0	0.039	0.014	63.960	0.000	0.000	0.000	0.000	0.000	0.000
421	A	440	MET	0	-0.072	0.009	64.799	0.000	0.000	0.000	0.000	0.000	0.000
422	A	441	TYR	0	-0.096	-0.039	59.772	0.000	0.000	0.000	0.000	0.000	0.000
423	A	442	GLU	-1	-0.806	-0.939	60.132	0.014	0.014	0.000	0.000	0.000	0.000
424	A	443	PHE	0	-0.021	-0.014	54.393	0.000	0.000	0.000	0.000	0.000	0.000
425	A	444	ALA	0	-0.008	-0.010	55.426	-0.001	-0.001	0.000	0.000	0.000	0.000
426	A	445	GLU	-1	-0.877	-0.924	54.377	0.007	0.007	0.000	0.000	0.000	0.000
427	A	446	LYS	1	0.929	0.945	56.667	-0.007	-0.007	0.000	0.000	0.000	0.000
428	A	447	ASN	0	-0.057	-0.023	51.642	-0.001	-0.001	0.000	0.000	0.000	0.000
429	A	448	VAL	0	0.047	0.035	51.363	0.001	0.001	0.000	0.000	0.000	0.000
430	A	449	ILE	0	-0.005	0.005	50.626	0.000	0.000	0.000	0.000	0.000	0.000
431	A	450	SER	0	-0.018	-0.006	50.119	0.001	0.001	0.000	0.000	0.000	0.000
432	A	451	ARG	1	0.989	0.997	42.947	-0.027	-0.027	0.000	0.000	0.000	0.000
433	A	452	PHE	0	-0.087	-0.043	48.217	0.000	0.000	0.000	0.000	0.000	0.000
434	A	453	GLY	0	0.057	0.014	50.383	-0.001	-0.001	0.000	0.000	0.000	0.000
435	A	454	ASN	0	-0.059	0.004	52.600	-0.001	-0.001	0.000	0.000	0.000	0.000
436	A	455	ARG	1	0.993	1.003	54.099	-0.012	-0.012	0.000	0.000	0.000	0.000
437	A	456	ALA	0	-0.018	-0.011	53.146	0.000	0.000	0.000	0.000	0.000	0.000
438	A	457	VAL	0	0.002	0.008	55.294	-0.001	-0.001	0.000	0.000	0.000	0.000
439	A	458	ILE	0	0.001	-0.008	56.355	0.001	0.001	0.000	0.000	0.000	0.000
440	A	459	LYS	1	0.873	0.922	57.649	-0.021	-0.021	0.000	0.000	0.000	0.000
441	A	460	ILE	0	-0.017	0.019	58.479	0.001	0.001	0.000	0.000	0.000	0.000
442	A	461	ILE	0	-0.100	-0.025	56.499	0.000	0.000	0.000	0.000	0.000	0.000
443	A	462	HIS	0	0.002	-0.009	59.916	0.001	0.001	0.000	0.000	0.000	0.000
444	A	463	ASP	-1	-0.914	-0.969	59.908	0.025	0.025	0.000	0.000	0.000	0.000
445	A	464	GLN	0	-0.021	-0.053	53.716	0.000	0.000	0.000	0.000	0.000	0.000
446	A	465	TRP	0	-0.035	-0.021	55.204	0.000	0.000	0.000	0.000	0.000	0.000
447	A	466	PHE	0	-0.031	-0.008	54.424	0.000	0.000	0.000	0.000	0.000	0.000
448	A	467	ILE	0	0.045	0.016	49.705	0.000	0.000	0.000	0.000	0.000	0.000
449	A	468	ASP	-1	-0.827	-0.946	53.426	0.026	0.026	0.000	0.000	0.000	0.000
450	A	469	TYR	0	-0.129	-0.069	47.886	0.001	0.001	0.000	0.000	0.000	0.000
451	A	470	GLY	0	0.099	0.035	53.088	0.000	0.000	0.000	0.000	0.000	0.000
452	A	471	ASN	0	0.004	-0.035	56.258	-0.001	-0.001	0.000	0.000	0.000	0.000
453	A	472	PRO	0	0.038	0.010	57.246	0.001	0.001	0.000	0.000	0.000	0.000
454	A	473	GLU	-1	-0.919	-0.928	58.052	0.027	0.027	0.000	0.000	0.000	0.000
455	A	474	TRP	0	-0.100	-0.054	50.858	0.001	0.001	0.000	0.000	0.000	0.000
456	A	475	LYS	1	0.720	0.878	52.606	-0.026	-0.026	0.000	0.000	0.000	0.000
457	A	476	GLU	-1	-0.855	-0.910	53.650	0.026	0.026	0.000	0.000	0.000	0.000
458	A	477	LYS	1	0.932	0.953	53.312	-0.032	-0.032	0.000	0.000	0.000	0.000
459	A	478	ALA	0	0.028	0.010	49.237	0.001	0.001	0.000	0.000	0.000	0.000
460	A	479	ARG	1	0.880	0.925	49.488	-0.025	-0.025	0.000	0.000	0.000	0.000
461	A	480	LYS	1	0.952	0.983	50.274	-0.031	-0.031	0.000	0.000	0.000	0.000
462	A	481	ALA	0	-0.036	-0.035	47.373	0.001	0.001	0.000	0.000	0.000	0.000
463	A	482	LEU	0	0.012	0.004	44.223	0.001	0.001	0.000	0.000	0.000	0.000
464	A	483	GLU	-1	-0.880	-0.942	45.058	0.032	0.032	0.000	0.000	0.000	0.000
465	A	484	ARG	1	0.836	0.932	46.750	-0.035	-0.035	0.000	0.000	0.000	0.000
466	A	485	MET	0	-0.122	-0.034	40.741	0.003	0.003	0.000	0.000	0.000	0.000
467	A	486	LYS	1	0.970	0.983	37.466	-0.059	-0.059	0.000	0.000	0.000	0.000
468	A	487	ILE	0	-0.005	0.015	38.002	0.003	0.003	0.000	0.000	0.000	0.000
469	A	488	LEU	0	-0.007	0.013	32.532	-0.001	-0.001	0.000	0.000	0.000	0.000
470	A	489	PRO	0	0.050	-0.009	33.166	0.004	0.004	0.000	0.000	0.000	0.000
471	A	490	GLU	-1	-0.705	-0.834	35.278	0.039	0.039	0.000	0.000	0.000	0.000
472	A	491	THR	0	-0.041	-0.018	37.874	-0.001	-0.001	0.000	0.000	0.000	0.000
473	A	492	ARG	1	0.848	0.925	36.256	-0.036	-0.036	0.000	0.000	0.000	0.000
474	A	493	ARG	1	0.811	0.924	40.180	-0.037	-0.037	0.000	0.000	0.000	0.000
475	A	494	ALA	0	0.057	0.018	42.962	0.000	0.000	0.000	0.000	0.000	0.000
476	A	495	GLN	0	0.022	0.002	40.180	0.002	0.002	0.000	0.000	0.000	0.000
477	A	496	PHE	0	0.045	0.009	39.278	0.001	0.001	0.000	0.000	0.000	0.000
478	A	497	GLU	-1	-0.854	-0.925	44.306	0.028	0.028	0.000	0.000	0.000	0.000
479	A	498	ALA	0	-0.010	-0.009	47.128	0.000	0.000	0.000	0.000	0.000	0.000
480	A	499	ILE	0	-0.034	-0.017	44.811	-0.001	-0.001	0.000	0.000	0.000	0.000
481	A	500	ILE	0	-0.077	-0.026	47.424	0.000	0.000	0.000	0.000	0.000	0.000
482	A	501	ASP	-1	-0.856	-0.904	49.580	0.024	0.024	0.000	0.000	0.000	0.000
483	A	502	TRP	0	-0.007	0.004	50.347	0.000	0.000	0.000	0.000	0.000	0.000
484	A	503	LEU	0	-0.065	-0.038	47.932	0.001	0.001	0.000	0.000	0.000	0.000
485	A	504	ASP	-1	-0.874	-0.943	51.669	0.024	0.024	0.000	0.000	0.000	0.000
486	A	505	LYS	1	0.957	0.997	53.472	-0.022	-0.022	0.000	0.000	0.000	0.000
487	A	506	LYS	1	0.900	0.946	45.258	-0.040	-0.040	0.000	0.000	0.000	0.000
488	A	507	ALA	0	0.021	-0.002	51.328	0.001	0.001	0.000	0.000	0.000	0.000
489	A	508	CYS	0	-0.054	0.005	49.695	0.001	0.001	0.000	0.000	0.000	0.000
490	A	509	ALA	0	-0.020	-0.015	50.127	0.001	0.001	0.000	0.000	0.000	0.000
491	A	510	ARG	1	0.884	0.954	47.436	-0.034	-0.034	0.000	0.000	0.000	0.000
492	A	511	LYS	1	0.975	0.986	50.758	-0.029	-0.029	0.000	0.000	0.000	0.000
493	A	512	ILE	0	0.005	0.007	47.083	0.000	0.000	0.000	0.000	0.000	0.000
494	A	513	GLY	0	-0.003	-0.024	44.933	0.001	0.001	0.000	0.000	0.000	0.000
495	A	514	LEU	0	-0.015	-0.004	42.409	-0.001	-0.001	0.000	0.000	0.000	0.000
496	A	515	GLY	0	0.060	-0.003	44.574	0.000	0.000	0.000	0.000	0.000	0.000
497	A	516	THR	0	-0.026	-0.008	45.473	0.001	0.001	0.000	0.000	0.000	0.000
498	A	517	PRO	0	0.010	-0.007	47.926	-0.001	-0.001	0.000	0.000	0.000	0.000
499	A	518	LEU	0	0.061	0.033	51.629	0.001	0.001	0.000	0.000	0.000	0.000
500	A	519	PRO	0	0.009	0.022	53.145	-0.001	-0.001	0.000	0.000	0.000	0.000
501	A	520	TRP	0	-0.054	-0.045	55.062	-0.001	-0.001	0.000	0.000	0.000	0.000
502	A	521	ASP	-1	-0.783	-0.896	57.711	0.028	0.028	0.000	0.000	0.000	0.000
503	A	522	PRO	0	-0.030	-0.001	55.651	0.001	0.001	0.000	0.000	0.000	0.000
504	A	523	GLU	-1	-0.935	-0.951	55.239	0.028	0.028	0.000	0.000	0.000	0.000
505	A	524	TRP	0	-0.082	-0.052	53.601	0.000	0.000	0.000	0.000	0.000	0.000
506	A	525	VAL	0	0.001	0.013	47.844	0.001	0.001	0.000	0.000	0.000	0.000
507	A	526	ILE	0	-0.002	-0.008	46.781	-0.001	-0.001	0.000	0.000	0.000	0.000
508	A	527	GLU	-1	-0.871	-0.916	45.741	0.044	0.044	0.000	0.000	0.000	0.000
509	A	528	SER	0	0.123	0.034	40.826	0.000	0.000	0.000	0.000	0.000	0.000
510	A	529	LEU	0	-0.084	-0.031	40.891	0.002	0.002	0.000	0.000	0.000	0.000
511	A	530	SER	0	-0.021	-0.020	42.620	-0.001	-0.001	0.000	0.000	0.000	0.000
512	A	531	ASP	-1	-0.808	-0.888	42.337	0.059	0.059	0.000	0.000	0.000	0.000
513	A	532	SER	0	-0.037	-0.030	39.330	0.002	0.002	0.000	0.000	0.000	0.000
514	A	533	THR	0	-0.027	-0.027	40.897	0.001	0.001	0.000	0.000	0.000	0.000
515	A	534	ILE	0	0.069	0.016	42.520	0.001	0.001	0.000	0.000	0.000	0.000
516	A	535	TYR	0	0.037	0.030	34.394	-0.001	-0.001	0.000	0.000	0.000	0.000
517	A	536	MET	0	-0.055	0.012	37.951	0.005	0.005	0.000	0.000	0.000	0.000
518	A	537	ALA	0	0.049	0.067	38.949	0.005	0.005	0.000	0.000	0.000	0.000
519	A	538	TYR	0	0.051	0.030	40.237	-0.001	-0.001	0.000	0.000	0.000	0.000
520	A	539	TYR	0	0.054	-0.020	33.471	0.001	0.001	0.000	0.000	0.000	0.000
521	A	540	THR	0	-0.011	0.007	38.070	0.003	0.003	0.000	0.000	0.000	0.000
522	A	541	ILE	0	0.016	0.016	39.901	0.000	0.000	0.000	0.000	0.000	0.000
523	A	542	SER	0	-0.093	-0.025	37.292	0.003	0.003	0.000	0.000	0.000	0.000
524	A	543	ARG	1	0.907	0.941	33.658	-0.114	-0.114	0.000	0.000	0.000	0.000
525	A	544	HIS	0	0.016	-0.020	38.362	0.002	0.002	0.000	0.000	0.000	0.000
526	A	545	ILE	0	0.026	0.020	41.635	-0.003	-0.003	0.000	0.000	0.000	0.000
527	A	546	ASN	0	-0.041	-0.025	37.103	-0.006	-0.006	0.000	0.000	0.000	0.000
528	A	547	LYS	1	0.912	0.970	39.757	-0.087	-0.087	0.000	0.000	0.000	0.000
529	A	548	LEU	0	0.058	0.019	41.134	-0.001	-0.001	0.000	0.000	0.000	0.000
530	A	549	ARG	1	0.893	0.948	40.751	-0.076	-0.076	0.000	0.000	0.000	0.000
531	A	550	GLN	0	-0.071	-0.006	38.975	0.002	0.002	0.000	0.000	0.000	0.000
532	A	551	GLU	-1	-0.920	-0.988	41.924	0.072	0.072	0.000	0.000	0.000	0.000
533	A	552	GLY	0	0.009	0.006	45.082	-0.003	-0.003	0.000	0.000	0.000	0.000
534	A	553	LYS	1	0.869	0.957	47.492	-0.059	-0.059	0.000	0.000	0.000	0.000
535	A	554	LEU	0	0.010	0.000	45.822	0.000	0.000	0.000	0.000	0.000	0.000
536	A	555	ASP	-1	-0.824	-0.912	49.310	0.045	0.045	0.000	0.000	0.000	0.000
537	A	556	PRO	0	-0.026	-0.032	48.547	0.000	0.000	0.000	0.000	0.000	0.000
538	A	557	GLU	-1	-0.837	-0.921	50.534	0.043	0.043	0.000	0.000	0.000	0.000
539	A	558	LYS	1	0.840	0.961	53.439	-0.042	-0.042	0.000	0.000	0.000	0.000
540	A	559	LEU	0	-0.080	-0.013	47.758	0.000	0.000	0.000	0.000	0.000	0.000
541	A	560	THR	0	0.030	-0.002	52.038	-0.001	-0.001	0.000	0.000	0.000	0.000
542	A	561	PRO	0	0.009	-0.022	53.906	0.001	0.001	0.000	0.000	0.000	0.000
543	A	562	GLU	-1	-0.885	-0.954	55.063	0.040	0.040	0.000	0.000	0.000	0.000
544	A	563	PHE	0	0.054	0.022	49.157	0.001	0.001	0.000	0.000	0.000	0.000
545	A	564	PHE	0	0.001	-0.006	47.178	0.001	0.001	0.000	0.000	0.000	0.000
546	A	565	ASP	-1	-0.731	-0.848	50.995	0.043	0.043	0.000	0.000	0.000	0.000
547	A	566	TYR	0	0.073	0.033	52.483	0.000	0.000	0.000	0.000	0.000	0.000
548	A	567	ILE	0	-0.054	-0.049	48.382	0.001	0.001	0.000	0.000	0.000	0.000
549	A	568	PHE	0	-0.037	-0.038	44.926	0.003	0.003	0.000	0.000	0.000	0.000
550	A	569	LEU	0	-0.140	-0.065	49.722	0.000	0.000	0.000	0.000	0.000	0.000
551	A	570	GLU	-1	-0.885	-0.929	53.080	0.039	0.039	0.000	0.000	0.000	0.000
552	A	571	GLU	-1	-0.855	-0.918	54.343	0.043	0.043	0.000	0.000	0.000	0.000
553	A	572	PHE	0	-0.006	-0.027	48.961	0.000	0.000	0.000	0.000	0.000	0.000
554	A	573	SER	0	-0.015	0.006	55.151	-0.002	-0.002	0.000	0.000	0.000	0.000
555	A	574	GLU	-1	-0.908	-0.962	56.969	0.041	0.041	0.000	0.000	0.000	0.000
556	A	575	ASP	-1	-0.887	-0.951	58.021	0.036	0.036	0.000	0.000	0.000	0.000
557	A	576	LYS	1	0.837	0.936	57.526	-0.038	-0.038	0.000	0.000	0.000	0.000
558	A	577	GLU	-1	-0.827	-0.916	52.926	0.050	0.050	0.000	0.000	0.000	0.000
559	A	578	LYS	1	0.998	0.986	56.076	-0.042	-0.042	0.000	0.000	0.000	0.000
560	A	579	GLU	-1	-1.007	-1.000	58.715	0.036	0.036	0.000	0.000	0.000	0.000
561	A	580	LEU	0	0.009	-0.013	54.150	0.000	0.000	0.000	0.000	0.000	0.000
562	A	581	GLU	-1	-0.905	-0.902	55.195	0.045	0.045	0.000	0.000	0.000	0.000
563	A	582	LYS	1	0.918	0.960	56.221	-0.037	-0.037	0.000	0.000	0.000	0.000
564	A	583	LYS	1	0.926	0.969	58.116	-0.036	-0.036	0.000	0.000	0.000	0.000
565	A	584	THR	0	-0.035	-0.082	53.214	0.000	0.000	0.000	0.000	0.000	0.000
566	A	585	GLY	0	-0.031	-0.021	54.341	0.001	0.001	0.000	0.000	0.000	0.000
567	A	586	ILE	0	-0.058	-0.028	49.135	0.002	0.002	0.000	0.000	0.000	0.000
568	A	587	PRO	0	0.015	0.007	49.974	-0.002	-0.002	0.000	0.000	0.000	0.000
569	A	588	ALA	0	0.080	0.039	51.654	0.001	0.001	0.000	0.000	0.000	0.000
570	A	589	GLU	-1	-0.907	-0.960	49.896	0.054	0.054	0.000	0.000	0.000	0.000
571	A	590	ILE	0	0.021	0.007	45.021	0.003	0.003	0.000	0.000	0.000	0.000
572	A	591	ILE	0	-0.009	-0.009	47.244	0.003	0.003	0.000	0.000	0.000	0.000
573	A	592	HIS	1	0.928	0.978	48.642	-0.053	-0.053	0.000	0.000	0.000	0.000
574	A	593	GLU	-1	-0.833	-0.901	42.608	0.077	0.077	0.000	0.000	0.000	0.000
575	A	594	MET	0	-0.049	-0.014	44.074	0.002	0.002	0.000	0.000	0.000	0.000
576	A	595	LYS	1	0.870	0.969	44.777	-0.049	-0.049	0.000	0.000	0.000	0.000
577	A	596	GLU	-1	-0.948	-0.985	45.339	0.063	0.063	0.000	0.000	0.000	0.000
578	A	597	GLU	-1	-0.862	-0.939	39.365	0.092	0.092	0.000	0.000	0.000	0.000
579	A	598	PHE	0	-0.043	-0.018	42.446	0.001	0.001	0.000	0.000	0.000	0.000
580	A	599	GLU	-1	-0.922	-0.974	43.464	0.053	0.053	0.000	0.000	0.000	0.000
581	A	600	TYR	0	-0.089	-0.048	37.736	0.000	0.000	0.000	0.000	0.000	0.000
582	A	601	TRP	0	0.002	-0.025	34.221	0.001	0.001	0.000	0.000	0.000	0.000
583	A	602	TYR	0	0.009	0.019	39.400	0.003	0.003	0.000	0.000	0.000	0.000
584	A	603	PRO	0	-0.029	-0.022	41.687	-0.002	-0.002	0.000	0.000	0.000	0.000
585	A	604	LEU	0	-0.019	-0.008	35.324	0.003	0.003	0.000	0.000	0.000	0.000
586	A	605	ASP	-1	-0.873	-0.919	35.552	0.077	0.077	0.000	0.000	0.000	0.000
587	A	606	TRP	0	0.055	0.019	33.201	-0.004	-0.004	0.000	0.000	0.000	0.000
588	A	607	ARG	1	0.930	0.995	34.326	-0.074	-0.074	0.000	0.000	0.000	0.000
589	A	608	CYS	0	-0.011	-0.010	28.913	-0.006	-0.006	0.000	0.000	0.000	0.000
590	A	609	SER	0	0.015	-0.021	31.587	0.002	0.002	0.000	0.000	0.000	0.000
591	A	610	GLY	0	0.021	0.052	31.299	-0.001	-0.001	0.000	0.000	0.000	0.000
592	A	611	LYS	1	0.896	0.925	32.104	-0.038	-0.038	0.000	0.000	0.000	0.000
593	A	612	ASP	-1	-0.911	-0.974	34.234	0.052	0.052	0.000	0.000	0.000	0.000
594	A	613	LEU	0	0.011	0.022	35.269	-0.002	-0.002	0.000	0.000	0.000	0.000
595	A	614	ILE	0	0.020	0.022	37.270	0.000	0.000	0.000	0.000	0.000	0.000
596	A	615	PRO	0	-0.067	-0.012	39.642	-0.001	-0.001	0.000	0.000	0.000	0.000
597	A	616	ASN	0	0.048	0.010	40.150	0.002	0.002	0.000	0.000	0.000	0.000
598	A	617	HIS	0	0.031	0.040	37.561	0.003	0.003	0.000	0.000	0.000	0.000
599	A	618	LEU	0	-0.017	-0.005	35.875	0.001	0.001	0.000	0.000	0.000	0.000
600	A	619	THR	0	0.034	-0.013	40.025	0.000	0.000	0.000	0.000	0.000	0.000
601	A	620	PHE	0	-0.006	-0.013	43.632	0.000	0.000	0.000	0.000	0.000	0.000
602	A	621	PHE	0	-0.059	-0.018	39.516	0.001	0.001	0.000	0.000	0.000	0.000
603	A	622	ILE	0	0.006	-0.006	43.020	0.001	0.001	0.000	0.000	0.000	0.000
604	A	623	PHE	0	0.027	0.012	45.069	-0.001	-0.001	0.000	0.000	0.000	0.000
605	A	624	ASN	0	0.099	0.056	46.250	-0.002	-0.002	0.000	0.000	0.000	0.000
606	A	625	HIS	0	-0.006	-0.007	42.076	0.002	0.002	0.000	0.000	0.000	0.000
607	A	626	VAL	0	-0.041	-0.015	47.115	0.000	0.000	0.000	0.000	0.000	0.000
608	A	627	ALA	0	-0.082	-0.037	50.038	-0.002	-0.002	0.000	0.000	0.000	0.000
609	A	628	ILE	0	-0.030	-0.001	49.221	-0.001	-0.001	0.000	0.000	0.000	0.000
610	A	629	PHE	0	0.001	-0.005	46.031	0.000	0.000	0.000	0.000	0.000	0.000
611	A	630	ARG	1	0.909	0.944	49.821	-0.047	-0.047	0.000	0.000	0.000	0.000
612	A	631	GLU	-1	-0.869	-0.957	50.370	0.036	0.036	0.000	0.000	0.000	0.000
613	A	632	GLU	-1	-0.974	-0.978	48.799	0.048	0.048	0.000	0.000	0.000	0.000
614	A	633	HIS	1	0.808	0.881	45.794	-0.050	-0.050	0.000	0.000	0.000	0.000
615	A	634	TRP	0	-0.033	0.041	45.080	0.002	0.002	0.000	0.000	0.000	0.000
616	A	635	PRO	0	0.032	0.016	41.002	0.002	0.002	0.000	0.000	0.000	0.000
617	A	636	LYS	1	0.916	0.960	40.019	-0.057	-0.057	0.000	0.000	0.000	0.000
618	A	637	GLY	0	-0.027	-0.020	38.253	-0.002	-0.002	0.000	0.000	0.000	0.000
619	A	638	ILE	0	-0.021	-0.001	36.275	0.004	0.004	0.000	0.000	0.000	0.000
620	A	639	ALA	0	0.003	0.007	31.691	-0.003	-0.003	0.000	0.000	0.000	0.000
621	A	640	VAL	0	-0.014	-0.013	32.351	0.003	0.003	0.000	0.000	0.000	0.000
622	A	641	ASN	0	-0.009	-0.040	27.774	0.004	0.004	0.000	0.000	0.000	0.000
623	A	642	GLY	0	-0.057	-0.017	29.092	-0.002	-0.002	0.000	0.000	0.000	0.000
624	A	643	PHE	0	-0.035	-0.027	28.297	0.007	0.007	0.000	0.000	0.000	0.000
625	A	644	GLY	0	0.049	0.019	24.547	0.001	0.001	0.000	0.000	0.000	0.000
626	A	645	THR	0	-0.104	-0.063	24.562	0.000	0.000	0.000	0.000	0.000	0.000
627	A	646	LEU	0	-0.010	-0.021	19.659	0.008	0.008	0.000	0.000	0.000	0.000
628	A	647	GLU	-1	-0.852	-0.885	18.743	-0.048	-0.048	0.000	0.000	0.000	0.000
629	A	648	GLY	0	0.017	0.019	22.642	-0.005	-0.005	0.000	0.000	0.000	0.000
630	A	649	GLN	0	-0.009	-0.020	26.150	0.007	0.007	0.000	0.000	0.000	0.000
631	A	650	LYS	1	0.870	0.944	26.423	-0.039	-0.039	0.000	0.000	0.000	0.000
632	A	651	MET	0	-0.075	-0.005	23.452	0.000	0.000	0.000	0.000	0.000	0.000
633	A	652	SER	0	0.023	0.024	27.198	0.001	0.001	0.000	0.000	0.000	0.000
634	A	653	LYS	1	1.001	0.985	29.110	-0.058	-0.058	0.000	0.000	0.000	0.000
635	A	654	SER	0	-0.002	-0.010	30.131	0.000	0.000	0.000	0.000	0.000	0.000
636	A	655	LYS	1	0.951	0.973	29.847	-0.013	-0.013	0.000	0.000	0.000	0.000
637	A	656	GLY	0	0.035	0.033	27.603	-0.004	-0.004	0.000	0.000	0.000	0.000
638	A	657	ASN	0	-0.027	-0.015	24.232	0.007	0.007	0.000	0.000	0.000	0.000
639	A	658	VAL	0	0.014	-0.023	23.761	0.000	0.000	0.000	0.000	0.000	0.000
640	A	659	LEU	0	0.040	0.031	16.047	0.000	0.000	0.000	0.000	0.000	0.000
641	A	660	ASN	0	-0.047	-0.042	19.994	0.003	0.003	0.000	0.000	0.000	0.000
642	A	661	PHE	0	0.021	-0.001	17.507	0.006	0.006	0.000	0.000	0.000	0.000
643	A	662	ILE	0	0.117	0.027	16.677	0.017	0.017	0.000	0.000	0.000	0.000
644	A	663	ASP	-1	-0.871	-0.946	16.070	0.126	0.126	0.000	0.000	0.000	0.000
645	A	664	ALA	0	0.023	0.027	14.489	-0.008	-0.008	0.000	0.000	0.000	0.000
646	A	665	ILE	0	-0.044	-0.021	12.770	0.010	0.010	0.000	0.000	0.000	0.000
647	A	666	GLU	-1	-0.876	-0.926	11.565	0.400	0.400	0.000	0.000	0.000	0.000
648	A	667	GLU	-1	-1.005	-1.001	9.834	0.093	0.093	0.000	0.000	0.000	0.000
649	A	668	ASN	0	-0.104	-0.048	7.878	-0.127	-0.127	0.000	0.000	0.000	0.000
650	A	669	GLY	0	0.026	0.018	7.959	0.091	0.091	0.000	0.000	0.000	0.000
651	A	670	ALA	0	0.060	0.026	9.551	-0.082	-0.082	0.000	0.000	0.000	0.000
652	A	671	ASP	-1	-0.755	-0.872	9.464	0.915	0.915	0.000	0.000	0.000	0.000
653	A	672	VAL	0	-0.025	0.005	7.222	-0.120	-0.120	0.000	0.000	0.000	0.000
654	A	673	VAL	0	-0.009	-0.003	10.049	-0.116	-0.116	0.000	0.000	0.000	0.000
655	A	674	ARG	1	0.740	0.836	13.263	-0.417	-0.417	0.000	0.000	0.000	0.000
656	A	675	LEU	0	0.023	0.018	12.533	-0.066	-0.066	0.000	0.000	0.000	0.000
657	A	676	TYR	0	0.030	-0.034	13.360	-0.061	-0.061	0.000	0.000	0.000	0.000
658	A	677	ILE	0	-0.036	-0.008	15.012	-0.038	-0.038	0.000	0.000	0.000	0.000
659	A	678	MET	0	-0.044	-0.005	18.385	-0.028	-0.028	0.000	0.000	0.000	0.000
660	A	679	SER	0	-0.040	-0.012	16.572	-0.029	-0.029	0.000	0.000	0.000	0.000
661	A	680	LEU	0	-0.022	-0.023	18.603	-0.020	-0.020	0.000	0.000	0.000	0.000
662	A	681	ALA	0	-0.046	-0.017	21.171	-0.011	-0.011	0.000	0.000	0.000	0.000
663	A	682	GLU	-1	-0.842	-0.917	24.355	0.057	0.057	0.000	0.000	0.000	0.000
664	A	683	HIS	0	0.036	0.021	26.961	-0.007	-0.007	0.000	0.000	0.000	0.000
665	A	684	ASP	-1	-0.826	-0.911	29.662	0.039	0.039	0.000	0.000	0.000	0.000
666	A	685	SER	0	0.001	-0.003	28.349	-0.005	-0.005	0.000	0.000	0.000	0.000
667	A	686	ASP	-1	-0.852	-0.911	28.034	0.040	0.040	0.000	0.000	0.000	0.000
668	A	687	PHE	0	-0.015	0.002	20.981	-0.002	-0.002	0.000	0.000	0.000	0.000
669	A	688	ASP	-1	-0.808	-0.912	23.125	-0.002	-0.002	0.000	0.000	0.000	0.000
670	A	689	TRP	0	0.007	0.007	14.115	-0.001	-0.001	0.000	0.000	0.000	0.000
671	A	690	ARG	1	0.919	0.914	18.063	0.060	0.060	0.000	0.000	0.000	0.000
672	A	691	ARG	1	0.971	0.967	13.416	0.054	0.054	0.000	0.000	0.000	0.000
673	A	692	LYS	1	0.924	0.943	13.200	0.137	0.137	0.000	0.000	0.000	0.000
674	A	693	GLU	-1	-0.836	-0.905	13.203	-0.087	-0.087	0.000	0.000	0.000	0.000
675	A	694	VAL	0	0.088	0.059	11.232	-0.027	-0.027	0.000	0.000	0.000	0.000
676	A	695	GLY	0	0.038	0.029	9.023	-0.010	-0.010	0.000	0.000	0.000	0.000
677	A	696	LYS	1	0.830	0.904	8.495	0.123	0.123	0.000	0.000	0.000	0.000
678	A	697	LEU	0	0.021	0.039	10.077	-0.086	-0.086	0.000	0.000	0.000	0.000
679	A	698	ARG	1	0.979	0.995	2.053	-0.758	0.041	1.261	-0.699	-1.361	0.002
680	A	699	LYS	1	0.965	0.987	5.336	1.079	1.079	0.000	0.000	0.000	0.000
681	A	700	GLN	0	-0.042	-0.020	6.411	-0.010	-0.010	0.000	0.000	0.000	0.000
682	A	701	ILE	0	0.043	0.029	6.378	0.020	0.020	0.000	0.000	0.000	0.000
683	A	702	GLU	-1	-0.878	-0.945	2.302	-8.515	-5.384	3.024	-2.652	-3.502	-0.030
684	A	703	ARG	1	0.914	0.969	5.078	0.826	0.879	-0.001	-0.003	-0.049	0.000
685	A	704	PHE	0	0.033	0.005	7.984	0.084	0.084	0.000	0.000	0.000	0.000
686	A	705	TYR	0	0.006	-0.009	4.094	0.469	0.628	-0.001	-0.019	-0.140	0.000
687	A	706	GLU	-1	-0.939	-0.991	4.663	-2.751	-2.587	-0.001	-0.007	-0.156	0.000
688	A	707	LEU	0	-0.010	-0.004	6.941	0.140	0.140	0.000	0.000	0.000	0.000
689	A	708	ILE	0	-0.006	0.027	10.125	0.015	0.015	0.000	0.000	0.000	0.000
690	A	709	SER	0	0.017	-0.023	8.064	0.085	0.085	0.000	0.000	0.000	0.000
691	A	710	GLN	0	-0.073	-0.014	10.481	-0.144	-0.144	0.000	0.000	0.000	0.000
692	A	711	PHE	0	-0.021	-0.041	12.698	0.012	0.012	0.000	0.000	0.000	0.000
693	A	712	ALA	0	0.003	-0.007	13.270	0.010	0.010	0.000	0.000	0.000	0.000
694	A	713	GLU	-1	-0.954	-0.960	14.380	0.001	0.001	0.000	0.000	0.000	0.000
695	A	714	TYR	0	-0.108	-0.053	16.448	-0.005	-0.005	0.000	0.000	0.000	0.000
696	A	715	GLU	-1	-0.862	-0.918	19.981	0.051	0.051	0.000	0.000	0.000	0.000
697	A	716	VAL	0	-0.042	-0.015	22.153	-0.004	-0.004	0.000	0.000	0.000	0.000
698	A	717	LYS	1	0.873	0.963	24.389	-0.011	-0.011	0.000	0.000	0.000	0.000
699	A	718	GLY	0	0.024	0.006	27.409	0.003	0.003	0.000	0.000	0.000	0.000
700	A	719	ASN	0	-0.085	-0.053	28.979	-0.003	-0.003	0.000	0.000	0.000	0.000
701	A	720	VAL	0	0.059	0.029	28.561	-0.003	-0.003	0.000	0.000	0.000	0.000
702	A	721	GLU	-1	-0.957	-0.971	31.837	-0.003	-0.003	0.000	0.000	0.000	0.000
703	A	722	LEU	0	-0.042	-0.013	29.314	-0.005	-0.005	0.000	0.000	0.000	0.000
704	A	723	LYS	1	0.966	0.993	30.650	0.037	0.037	0.000	0.000	0.000	0.000
705	A	724	ASP	-1	-0.842	-0.993	31.178	-0.019	-0.019	0.000	0.000	0.000	0.000
706	A	725	ILE	0	-0.029	-0.014	26.859	0.002	0.002	0.000	0.000	0.000	0.000
707	A	726	ASP	-1	-0.716	-0.851	26.712	-0.042	-0.042	0.000	0.000	0.000	0.000
708	A	727	ARG	1	0.937	1.006	27.270	0.011	0.011	0.000	0.000	0.000	0.000
709	A	728	TRP	0	-0.011	0.024	24.145	0.006	0.006	0.000	0.000	0.000	0.000
710	A	729	MET	0	-0.049	0.014	21.162	-0.003	-0.003	0.000	0.000	0.000	0.000
711	A	730	LEU	0	-0.003	-0.019	24.182	0.008	0.008	0.000	0.000	0.000	0.000
712	A	731	HIS	0	0.026	0.017	26.402	0.011	0.011	0.000	0.000	0.000	0.000
713	A	732	ARG	1	0.898	0.945	24.783	0.028	0.028	0.000	0.000	0.000	0.000
714	A	733	LEU	0	0.013	0.032	20.541	0.007	0.007	0.000	0.000	0.000	0.000
715	A	734	ASN	0	0.079	0.074	24.093	0.016	0.016	0.000	0.000	0.000	0.000
716	A	735	LYS	1	0.855	0.943	27.004	0.007	0.007	0.000	0.000	0.000	0.000
717	A	736	ALA	0	-0.005	-0.023	22.591	0.005	0.005	0.000	0.000	0.000	0.000
718	A	737	ILE	0	-0.062	-0.005	23.995	0.011	0.011	0.000	0.000	0.000	0.000
719	A	738	LYS	1	0.988	0.997	25.329	-0.028	-0.028	0.000	0.000	0.000	0.000
720	A	739	GLU	-1	-0.962	-0.986	26.846	0.034	0.034	0.000	0.000	0.000	0.000
721	A	740	THR	0	-0.056	-0.036	22.472	0.004	0.004	0.000	0.000	0.000	0.000
722	A	741	THR	0	0.008	-0.016	25.359	0.007	0.007	0.000	0.000	0.000	0.000
723	A	742	ASN	0	-0.007	0.014	27.649	0.007	0.007	0.000	0.000	0.000	0.000
724	A	743	ALA	0	-0.012	-0.010	25.959	0.003	0.003	0.000	0.000	0.000	0.000
725	A	744	LEU	0	-0.027	-0.001	23.018	0.004	0.004	0.000	0.000	0.000	0.000
726	A	745	GLU	-1	-0.786	-0.874	27.053	0.087	0.087	0.000	0.000	0.000	0.000
727	A	746	GLU	-1	-1.044	-1.006	30.136	0.046	0.046	0.000	0.000	0.000	0.000
728	A	747	PHE	0	-0.036	-0.049	27.654	-0.002	-0.002	0.000	0.000	0.000	0.000
729	A	748	ARG	1	0.875	0.951	27.442	-0.044	-0.044	0.000	0.000	0.000	0.000
730	A	749	THR	0	0.062	0.006	22.159	-0.004	-0.004	0.000	0.000	0.000	0.000
731	A	750	ARG	1	0.912	0.978	21.637	-0.002	-0.002	0.000	0.000	0.000	0.000
732	A	751	THR	0	-0.041	-0.022	22.501	-0.010	-0.010	0.000	0.000	0.000	0.000
733	A	752	ALA	0	0.082	0.045	22.477	-0.004	-0.004	0.000	0.000	0.000	0.000
734	A	753	VAL	0	0.001	0.002	17.327	-0.004	-0.004	0.000	0.000	0.000	0.000
735	A	754	GLN	0	-0.051	-0.044	19.015	-0.011	-0.011	0.000	0.000	0.000	0.000
736	A	755	TRP	0	-0.008	-0.004	21.347	-0.018	-0.018	0.000	0.000	0.000	0.000
737	A	756	ALA	0	0.026	0.004	19.136	-0.010	-0.010	0.000	0.000	0.000	0.000
738	A	757	PHE	0	-0.004	-0.014	11.692	0.007	0.007	0.000	0.000	0.000	0.000
739	A	758	TYR	0	-0.062	-0.037	16.074	-0.048	-0.048	0.000	0.000	0.000	0.000
740	A	759	SER	0	0.000	0.030	17.901	-0.025	-0.025	0.000	0.000	0.000	0.000
741	A	760	ILE	0	0.078	0.041	17.677	-0.023	-0.023	0.000	0.000	0.000	0.000
742	A	761	MET	0	-0.029	0.002	11.723	-0.024	-0.024	0.000	0.000	0.000	0.000
743	A	762	ASN	0	-0.115	-0.062	16.701	-0.042	-0.042	0.000	0.000	0.000	0.000
744	A	763	ASP	-1	-0.841	-0.929	19.603	-0.048	-0.048	0.000	0.000	0.000	0.000
745	A	764	LEU	0	0.057	-0.006	15.503	-0.007	-0.007	0.000	0.000	0.000	0.000
746	A	765	ARG	1	0.901	0.948	15.755	0.212	0.212	0.000	0.000	0.000	0.000
747	A	766	TRP	0	-0.050	-0.022	18.718	-0.015	-0.015	0.000	0.000	0.000	0.000
748	A	767	TYR	0	0.123	0.045	20.884	-0.002	-0.002	0.000	0.000	0.000	0.000
749	A	768	LEU	0	-0.020	0.008	16.167	-0.002	-0.002	0.000	0.000	0.000	0.000
750	A	769	ARG	1	0.889	0.947	20.738	0.144	0.144	0.000	0.000	0.000	0.000
751	A	770	ARG	1	0.817	0.941	22.123	0.076	0.076	0.000	0.000	0.000	0.000
752	A	771	THR	0	-0.102	-0.048	24.232	0.011	0.011	0.000	0.000	0.000	0.000
753	A	772	GLU	-1	-0.871	-0.938	21.807	-0.176	-0.176	0.000	0.000	0.000	0.000
754	A	773	GLY	0	-0.041	-0.024	23.061	0.011	0.011	0.000	0.000	0.000	0.000
755	A	774	ARG	1	0.690	0.790	24.808	0.060	0.060	0.000	0.000	0.000	0.000
756	A	775	ASP	-1	-0.896	-0.969	22.606	-0.095	-0.095	0.000	0.000	0.000	0.000
757	A	776	ASP	-1	-0.731	-0.821	24.863	-0.044	-0.044	0.000	0.000	0.000	0.000
758	A	777	GLU	-1	-0.860	-0.962	25.823	-0.001	-0.001	0.000	0.000	0.000	0.000
759	A	778	ALA	0	0.045	0.021	26.588	0.007	0.007	0.000	0.000	0.000	0.000
760	A	779	LYS	1	0.865	0.927	21.239	0.121	0.121	0.000	0.000	0.000	0.000
761	A	780	ARG	1	0.861	0.934	20.905	0.062	0.062	0.000	0.000	0.000	0.000
762	A	781	TYR	0	0.086	0.050	21.867	0.010	0.010	0.000	0.000	0.000	0.000
763	A	782	VAL	0	0.027	0.033	21.990	0.013	0.013	0.000	0.000	0.000	0.000
764	A	783	LEU	0	0.012	0.007	18.125	0.011	0.011	0.000	0.000	0.000	0.000
765	A	784	ARG	1	0.860	0.953	18.049	-0.097	-0.097	0.000	0.000	0.000	0.000
766	A	785	THR	0	-0.072	-0.063	19.438	0.027	0.027	0.000	0.000	0.000	0.000
767	A	786	LEU	0	-0.057	-0.015	17.323	0.016	0.016	0.000	0.000	0.000	0.000
768	A	787	ALA	0	-0.003	-0.020	15.454	0.019	0.019	0.000	0.000	0.000	0.000
769	A	788	ASP	-1	-0.830	-0.915	16.689	0.197	0.197	0.000	0.000	0.000	0.000
770	A	789	VAL	0	-0.002	-0.007	18.886	0.028	0.028	0.000	0.000	0.000	0.000
771	A	790	TRP	0	-0.022	-0.029	13.500	0.008	0.008	0.000	0.000	0.000	0.000
772	A	791	VAL	0	-0.016	-0.009	13.263	0.028	0.028	0.000	0.000	0.000	0.000
773	A	792	ARG	1	0.926	0.977	15.779	-0.123	-0.123	0.000	0.000	0.000	0.000
774	A	793	LEU	0	-0.056	-0.023	18.673	0.001	0.001	0.000	0.000	0.000	0.000
775	A	794	MET	0	-0.009	-0.006	12.671	-0.036	-0.036	0.000	0.000	0.000	0.000
776	A	795	ALA	0	0.037	0.028	16.125	0.043	0.043	0.000	0.000	0.000	0.000
777	A	796	PRO	0	-0.010	-0.007	17.252	0.032	0.032	0.000	0.000	0.000	0.000
778	A	797	PHE	0	-0.007	0.005	15.697	-0.003	-0.003	0.000	0.000	0.000	0.000
779	A	798	THR	0	-0.084	-0.064	11.250	-0.016	-0.016	0.000	0.000	0.000	0.000
780	A	799	PRO	0	0.016	0.030	13.330	0.056	0.056	0.000	0.000	0.000	0.000
781	A	800	HIS	0	0.058	0.005	11.097	-0.074	-0.074	0.000	0.000	0.000	0.000
782	A	801	ILE	0	-0.055	-0.031	6.952	0.025	0.025	0.000	0.000	0.000	0.000
783	A	802	CYS	0	0.033	0.027	9.687	-0.049	-0.049	0.000	0.000	0.000	0.000
784	A	803	GLU	-1	-0.651	-0.881	12.814	0.322	0.322	0.000	0.000	0.000	0.000
785	A	804	GLU	-1	-0.927	-0.950	9.020	1.055	1.055	0.000	0.000	0.000	0.000
786	A	805	LEU	0	-0.050	-0.026	8.424	-0.104	-0.104	0.000	0.000	0.000	0.000
787	A	806	TRP	0	-0.093	-0.058	11.906	-0.115	-0.115	0.000	0.000	0.000	0.000
788	A	807	GLU	-1	-0.950	-0.979	14.309	0.418	0.418	0.000	0.000	0.000	0.000
789	A	808	LYS	1	0.879	0.943	8.472	-0.566	-0.566	0.000	0.000	0.000	0.000
790	A	809	LEU	0	-0.041	-0.026	14.112	-0.080	-0.080	0.000	0.000	0.000	0.000
791	A	810	GLY	0	0.002	-0.009	16.740	0.001	0.001	0.000	0.000	0.000	0.000
792	A	811	GLY	0	0.040	0.052	19.461	0.003	0.003	0.000	0.000	0.000	0.000
793	A	812	GLU	-1	-0.900	-0.970	20.034	0.132	0.132	0.000	0.000	0.000	0.000
794	A	813	GLY	0	-0.007	0.020	22.396	0.010	0.010	0.000	0.000	0.000	0.000
795	A	814	PHE	0	0.026	0.015	19.367	0.012	0.012	0.000	0.000	0.000	0.000
796	A	815	VAL	0	0.069	0.074	16.188	-0.029	-0.029	0.000	0.000	0.000	0.000
797	A	816	SER	0	-0.082	-0.051	18.985	-0.033	-0.033	0.000	0.000	0.000	0.000
798	A	817	LEU	0	-0.027	-0.016	21.043	-0.020	-0.020	0.000	0.000	0.000	0.000
799	A	818	ALA	0	-0.084	-0.020	21.869	-0.025	-0.025	0.000	0.000	0.000	0.000
800	A	819	LYS	1	0.893	0.941	23.786	-0.166	-0.166	0.000	0.000	0.000	0.000
801	A	820	TRP	0	0.029	-0.005	22.248	0.007	0.007	0.000	0.000	0.000	0.000
802	A	821	PRO	0	-0.087	-0.029	22.347	-0.012	-0.012	0.000	0.000	0.000	0.000
803	A	822	GLU	-1	-0.757	-0.907	25.495	0.085	0.085	0.000	0.000	0.000	0.000
804	A	823	PRO	0	-0.072	-0.081	28.652	-0.002	-0.002	0.000	0.000	0.000	0.000
805	A	824	VAL	0	-0.010	-0.010	28.552	0.003	0.003	0.000	0.000	0.000	0.000
806	A	825	GLU	-1	-0.916	-0.973	31.099	0.026	0.026	0.000	0.000	0.000	0.000
807	A	826	GLU	-1	-0.826	-0.891	34.249	0.022	0.022	0.000	0.000	0.000	0.000
808	A	827	TRP	0	-0.079	-0.032	25.417	0.002	0.002	0.000	0.000	0.000	0.000
809	A	828	TRP	0	-0.037	-0.021	31.043	-0.005	-0.005	0.000	0.000	0.000	0.000
810	A	829	ASN	0	-0.045	-0.068	33.095	-0.004	-0.004	0.000	0.000	0.000	0.000
811	A	830	GLU	-1	-0.879	-0.935	34.112	-0.004	-0.004	0.000	0.000	0.000	0.000
812	A	831	THR	0	0.031	0.016	35.779	-0.003	-0.003	0.000	0.000	0.000	0.000
813	A	832	ILE	0	0.014	-0.002	32.820	-0.004	-0.004	0.000	0.000	0.000	0.000
814	A	833	GLU	-1	-0.870	-0.920	30.334	-0.017	-0.017	0.000	0.000	0.000	0.000
815	A	834	ALA	0	0.022	0.008	32.801	-0.005	-0.005	0.000	0.000	0.000	0.000
816	A	835	GLU	-1	-0.937	-0.986	35.776	-0.026	-0.026	0.000	0.000	0.000	0.000
817	A	836	GLU	-1	-0.864	-0.967	29.549	-0.058	-0.058	0.000	0.000	0.000	0.000
818	A	837	GLU	-1	-0.886	-0.957	32.714	-0.035	-0.035	0.000	0.000	0.000	0.000
819	A	838	PHE	0	-0.009	0.007	33.535	-0.002	-0.002	0.000	0.000	0.000	0.000
820	A	839	ILE	0	0.030	0.069	32.641	-0.002	-0.002	0.000	0.000	0.000	0.000
821	A	840	ARG	1	0.913	0.972	26.968	0.069	0.069	0.000	0.000	0.000	0.000
822	A	841	SER	0	-0.049	-0.072	32.872	-0.003	-0.003	0.000	0.000	0.000	0.000
823	A	842	VAL	0	0.040	0.009	35.744	-0.001	-0.001	0.000	0.000	0.000	0.000
824	A	843	MET	0	-0.070	-0.031	29.941	-0.003	-0.003	0.000	0.000	0.000	0.000
825	A	844	GLU	-1	-0.990	-0.995	32.474	-0.067	-0.067	0.000	0.000	0.000	0.000
826	A	845	ASP	-1	-0.886	-0.935	34.831	-0.045	-0.045	0.000	0.000	0.000	0.000
827	A	846	ILE	0	-0.084	-0.046	37.249	0.000	0.000	0.000	0.000	0.000	0.000
828	A	847	LYS	1	0.960	0.975	29.474	0.092	0.092	0.000	0.000	0.000	0.000
829	A	848	GLU	-1	-0.888	-0.937	36.046	-0.052	-0.052	0.000	0.000	0.000	0.000
830	A	849	ILE	0	-0.057	-0.052	38.249	0.002	0.002	0.000	0.000	0.000	0.000
831	A	850	ILE	0	-0.068	-0.041	37.924	0.002	0.002	0.000	0.000	0.000	0.000
832	A	851	GLU	-1	-0.962	-0.970	33.567	-0.078	-0.078	0.000	0.000	0.000	0.000
833	A	852	VAL	0	-0.058	-0.010	38.394	0.001	0.001	0.000	0.000	0.000	0.000
834	A	853	ALA	0	-0.068	-0.049	41.756	0.003	0.003	0.000	0.000	0.000	0.000
835	A	854	LYS	1	0.832	0.938	42.812	0.043	0.043	0.000	0.000	0.000	0.000
836	A	855	ILE	0	0.049	0.028	39.608	-0.002	-0.002	0.000	0.000	0.000	0.000
837	A	856	GLU	-1	-0.931	-0.973	38.329	-0.070	-0.070	0.000	0.000	0.000	0.000
838	A	857	ASN	0	-0.033	-0.022	40.550	0.002	0.002	0.000	0.000	0.000	0.000
839	A	858	ALA	0	0.082	0.040	40.583	-0.002	-0.002	0.000	0.000	0.000	0.000
840	A	859	LYS	1	0.937	0.993	40.718	0.043	0.043	0.000	0.000	0.000	0.000
841	A	860	ARG	1	0.813	1.067	40.062	0.048	0.048	0.000	0.000	0.000	0.000
842	A	861	ALA	0	-0.041	-0.101	43.483	0.000	0.000	0.000	0.000	0.000	0.000
843	A	862	TYR	0	-0.017	-0.023	39.742	-0.001	-0.001	0.000	0.000	0.000	0.000
844	A	863	ILE	0	0.014	0.025	45.394	0.000	0.000	0.000	0.000	0.000	0.000
845	A	864	TYR	0	0.040	0.027	43.587	0.001	0.001	0.000	0.000	0.000	0.000
846	A	865	THR	0	-0.089	-0.062	46.662	0.001	0.001	0.000	0.000	0.000	0.000
847	A	866	ALA	0	0.030	-0.039	49.334	0.000	0.000	0.000	0.000	0.000	0.000
848	A	867	GLU	-1	-0.838	-0.961	50.586	-0.015	-0.015	0.000	0.000	0.000	0.000
849	A	868	ASP	-1	-0.809	-0.891	53.179	-0.011	-0.011	0.000	0.000	0.000	0.000
850	A	869	TRP	0	-0.017	-0.012	55.305	-0.001	-0.001	0.000	0.000	0.000	0.000
851	A	870	LYS	1	0.654	0.810	52.104	0.020	0.020	0.000	0.000	0.000	0.000
852	A	871	TRP	0	0.067	0.041	44.680	0.002	0.002	0.000	0.000	0.000	0.000
853	A	872	LYS	1	0.909	0.966	51.454	0.010	0.010	0.000	0.000	0.000	0.000
854	A	873	VAL	0	-0.001	-0.012	54.274	0.001	0.001	0.000	0.000	0.000	0.000
855	A	874	ALA	0	0.007	0.002	50.184	0.001	0.001	0.000	0.000	0.000	0.000
856	A	875	GLU	-1	-0.879	-0.925	50.409	-0.010	-0.010	0.000	0.000	0.000	0.000
857	A	876	VAL	0	0.038	0.025	51.730	0.001	0.001	0.000	0.000	0.000	0.000
858	A	877	VAL	0	0.048	0.005	53.647	0.001	0.001	0.000	0.000	0.000	0.000
859	A	878	SER	0	-0.109	-0.079	50.261	0.001	0.001	0.000	0.000	0.000	0.000
860	A	879	GLU	-1	-0.920	-0.965	52.195	-0.001	-0.001	0.000	0.000	0.000	0.000
861	A	880	LYS	1	0.881	0.972	54.917	0.004	0.004	0.000	0.000	0.000	0.000
862	A	881	ARG	1	0.823	0.904	50.418	0.006	0.006	0.000	0.000	0.000	0.000
863	A	882	ASP	-1	-0.688	-0.799	55.570	-0.006	-0.006	0.000	0.000	0.000	0.000
864	A	883	PHE	0	-0.083	-0.070	58.748	-0.001	-0.001	0.000	0.000	0.000	0.000
865	A	884	LYS	1	0.889	0.959	60.535	0.007	0.007	0.000	0.000	0.000	0.000
866	A	885	SER	0	0.076	0.011	61.637	0.000	0.000	0.000	0.000	0.000	0.000
867	A	886	SER	0	0.008	0.002	58.613	0.000	0.000	0.000	0.000	0.000	0.000
868	A	887	MET	0	0.006	-0.013	60.610	0.000	0.000	0.000	0.000	0.000	0.000
869	A	888	GLU	-1	-1.009	-1.009	62.646	-0.005	-0.005	0.000	0.000	0.000	0.000
870	A	889	GLU	-1	-0.986	-1.007	60.668	-0.004	-0.004	0.000	0.000	0.000	0.000
871	A	890	LEU	0	0.034	0.031	58.336	0.000	0.000	0.000	0.000	0.000	0.000
872	A	891	MET	0	-0.057	0.012	62.467	0.000	0.000	0.000	0.000	0.000	0.000
873	A	892	LYS	1	0.890	0.957	65.501	0.005	0.005	0.000	0.000	0.000	0.000
874	A	893	ASP	-1	-0.777	-0.894	62.072	-0.007	-0.007	0.000	0.000	0.000	0.000
875	A	894	SER	0	0.004	0.008	64.771	-0.001	-0.001	0.000	0.000	0.000	0.000
876	A	895	GLU	-1	-0.819	-0.908	61.761	-0.012	-0.012	0.000	0.000	0.000	0.000
877	A	896	ILE	0	-0.030	-0.026	59.006	-0.001	-0.001	0.000	0.000	0.000	0.000
878	A	897	ARG	1	0.898	0.914	61.839	0.008	0.008	0.000	0.000	0.000	0.000
879	A	898	LYS	1	0.788	0.909	62.687	0.013	0.013	0.000	0.000	0.000	0.000
880	A	899	HIS	0	0.014	0.018	59.895	0.000	0.000	0.000	0.000	0.000	0.000
881	A	900	GLY	0	0.057	-0.006	63.196	0.000	0.000	0.000	0.000	0.000	0.000
882	A	901	LYS	1	0.918	0.992	62.497	0.016	0.016	0.000	0.000	0.000	0.000
883	A	902	GLU	-1	-0.900	-0.962	58.364	-0.018	-0.018	0.000	0.000	0.000	0.000
884	A	903	VAL	0	0.002	0.018	58.857	-0.001	-0.001	0.000	0.000	0.000	0.000
885	A	904	ALA	0	0.013	-0.016	58.858	0.001	0.001	0.000	0.000	0.000	0.000
886	A	905	LYS	1	0.879	0.911	53.321	0.020	0.020	0.000	0.000	0.000	0.000
887	A	906	ILE	0	0.039	0.008	54.465	0.000	0.000	0.000	0.000	0.000	0.000
888	A	907	VAL	0	0.035	0.038	55.866	0.000	0.000	0.000	0.000	0.000	0.000
889	A	908	GLN	0	0.035	0.012	50.571	-0.001	-0.001	0.000	0.000	0.000	0.000
890	A	909	LYS	1	0.692	0.853	47.466	0.015	0.015	0.000	0.000	0.000	0.000
891	A	910	LEU	0	-0.002	0.009	51.300	0.000	0.000	0.000	0.000	0.000	0.000
892	A	911	ILE	0	-0.063	-0.023	51.164	0.000	0.000	0.000	0.000	0.000	0.000
893	A	912	LYS	1	0.889	0.931	47.104	0.020	0.020	0.000	0.000	0.000	0.000
894	A	913	GLU	-1	-0.817	-0.884	47.198	-0.009	-0.009	0.000	0.000	0.000	0.000
895	A	914	ARG	1	0.981	0.973	46.332	0.004	0.004	0.000	0.000	0.000	0.000
896	A	915	THR	0	0.064	0.059	46.535	-0.002	-0.002	0.000	0.000	0.000	0.000
897	A	916	PHE	0	-0.077	-0.015	38.803	0.001	0.001	0.000	0.000	0.000	0.000
898	A	917	ASP	-1	-0.715	-0.875	41.644	-0.004	-0.004	0.000	0.000	0.000	0.000
899	A	918	VAL	0	-0.026	-0.042	43.650	-0.003	-0.003	0.000	0.000	0.000	0.000
900	A	919	LYS	1	0.914	1.000	40.150	0.019	0.019	0.000	0.000	0.000	0.000
901	A	920	ARG	1	0.998	0.968	41.959	0.012	0.012	0.000	0.000	0.000	0.000
902	A	921	ILE	0	-0.053	-0.002	39.196	-0.002	-0.002	0.000	0.000	0.000	0.000
903	A	922	ASN	0	0.133	0.070	40.980	-0.002	-0.002	0.000	0.000	0.000	0.000
904	A	923	GLH	0	-0.074	-0.041	40.807	-0.003	-0.003	0.000	0.000	0.000	0.000
905	A	924	GLU	-1	-0.762	-0.931	40.386	-0.030	-0.030	0.000	0.000	0.000	0.000
906	A	925	LYS	1	0.831	0.954	33.037	0.034	0.034	0.000	0.000	0.000	0.000
907	A	926	ALA	0	-0.008	-0.024	36.972	-0.003	-0.003	0.000	0.000	0.000	0.000
908	A	927	LEU	0	-0.037	-0.004	38.319	-0.004	-0.004	0.000	0.000	0.000	0.000
909	A	928	ARG	1	0.854	0.920	35.366	0.024	0.024	0.000	0.000	0.000	0.000
910	A	929	GLU	-1	-0.817	-0.931	31.585	-0.043	-0.043	0.000	0.000	0.000	0.000
911	A	930	ALA	0	-0.069	-0.005	32.160	-0.006	-0.006	0.000	0.000	0.000	0.000
912	A	931	LYS	1	0.840	0.919	33.991	0.048	0.048	0.000	0.000	0.000	0.000
913	A	932	GLU	-1	-0.840	-0.921	32.683	-0.061	-0.061	0.000	0.000	0.000	0.000
914	A	933	PHE	0	-0.005	-0.007	26.941	-0.003	-0.003	0.000	0.000	0.000	0.000
915	A	934	MET	0	-0.030	-0.024	31.047	-0.005	-0.005	0.000	0.000	0.000	0.000
916	A	935	GLU	-1	-0.779	-0.874	33.064	-0.062	-0.062	0.000	0.000	0.000	0.000
917	A	936	LYS	1	0.896	0.966	25.198	0.131	0.131	0.000	0.000	0.000	0.000
918	A	937	GLU	-1	-0.987	-1.004	26.309	-0.137	-0.137	0.000	0.000	0.000	0.000
919	A	938	LEU	0	-0.059	-0.054	29.766	-0.002	-0.002	0.000	0.000	0.000	0.000
920	A	939	GLY	0	-0.013	0.020	32.872	0.001	0.001	0.000	0.000	0.000	0.000
921	A	940	ILE	0	-0.073	-0.022	33.818	0.004	0.004	0.000	0.000	0.000	0.000
922	A	941	GLU	-1	-0.864	-0.948	37.112	-0.050	-0.050	0.000	0.000	0.000	0.000
923	A	942	ILE	0	-0.024	-0.033	37.662	0.003	0.003	0.000	0.000	0.000	0.000
924	A	943	ILE	0	-0.003	-0.051	40.361	0.002	0.002	0.000	0.000	0.000	0.000
925	A	944	ILE	0	0.066	0.044	40.264	0.001	0.001	0.000	0.000	0.000	0.000
926	A	945	ASN	0	-0.007	-0.022	44.230	0.001	0.001	0.000	0.000	0.000	0.000
927	A	946	PRO	0	0.016	0.029	47.401	0.001	0.001	0.000	0.000	0.000	0.000
928	A	947	THR	0	0.008	0.014	49.867	0.002	0.002	0.000	0.000	0.000	0.000
929	A	948	GLU	-1	-0.952	-0.981	51.601	-0.031	-0.031	0.000	0.000	0.000	0.000
930	A	949	ASP	-1	-0.863	-0.962	53.226	-0.026	-0.026	0.000	0.000	0.000	0.000
931	A	950	LYS	1	0.898	0.952	49.614	0.035	0.035	0.000	0.000	0.000	0.000
932	A	951	GLY	0	-0.013	0.015	51.329	0.001	0.001	0.000	0.000	0.000	0.000
933	A	952	GLY	0	0.014	0.011	52.788	0.000	0.000	0.000	0.000	0.000	0.000
934	A	953	LYN	0	0.024	0.018	48.821	0.000	0.000	0.000	0.000	0.000	0.000
935	A	954	LYS	1	0.999	0.970	51.602	0.024	0.024	0.000	0.000	0.000	0.000
936	A	955	LYN	0	0.024	0.067	52.285	0.001	0.001	0.000	0.000	0.000	0.000
937	A	956	GLN	0	-0.017	0.053	52.065	0.002	0.002	0.000	0.000	0.000	0.000
938	A	957	ALA	0	-0.025	-0.019	48.075	-0.001	-0.001	0.000	0.000	0.000	0.000
939	A	958	MET	0	-0.001	0.005	48.101	0.003	0.003	0.000	0.000	0.000	0.000
940	A	959	PRO	0	0.030	0.019	46.753	-0.002	-0.002	0.000	0.000	0.000	0.000
941	A	960	LEU	0	-0.082	-0.035	41.244	0.000	0.000	0.000	0.000	0.000	0.000
942	A	961	LYS	1	0.988	1.006	41.616	0.035	0.035	0.000	0.000	0.000	0.000
943	A	962	PRO	0	-0.002	0.011	42.181	0.002	0.002	0.000	0.000	0.000	0.000
944	A	963	ALA	0	0.030	0.014	44.906	-0.001	-0.001	0.000	0.000	0.000	0.000
945	A	964	ILE	0	0.003	-0.019	41.852	0.000	0.000	0.000	0.000	0.000	0.000
946	A	965	PHE	0	0.003	-0.005	45.146	0.001	0.001	0.000	0.000	0.000	0.000
947	A	966	ILE	0	0.062	0.016	41.401	-0.001	-0.001	0.000	0.000	0.000	0.000
948	A	967	GLU	-1	-0.941	-0.980	44.610	-0.041	-0.041	0.000	0.000	0.000	0.000

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