FMO DATABASE

FMODB ID: 3944L

Calculation Name: 4ZWJ-B-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 4ZWJ

Chain ID: B

ChEMBL ID:

UniProt ID: P20443

Base Structure: X-ray

Registration Date: 2023-06-26

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	674
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-14625181.525607
FMO2-HF: Nuclear repulsion	14357335.84274
FMO2-HF: Total energy	-267845.682868
FMO2-MP2: Total energy	-268617.01241

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(B:1:MET)

Summations of interaction energy for fragment #1(B:1:MET)

IFIE [kcal/mol]	PIEDA [kcal/mol]				Charge transfer value [e]
IFIE SUMIFIE SUM at MP2 level.	ESElectro static interaction energy.	EXExchange-repulsion energy.	CT+mixCharge transfer and mixing terms energy.	DI(MP2)Dispersion energy.	q(I=>J)Charge transfer value from I to J fragments.
-3.914	-1.543	2.69	-1.739	-3.321	-0.007

Interaction energy analysis for fragmet #1(B:1:MET)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : -0.010 / q_NPA : -0.024

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	B	3	GLY	0	0.041	0.025	3.788	-0.940	0.386	-0.017	-0.481	-0.828	0.002
4	B	4	THR	0	-0.049	-0.037	3.652	-1.729	-1.466	0.013	-0.168	-0.108	-0.001
5	B	5	GLU	-1	-0.863	-0.953	2.164	-5.074	-4.458	2.696	-1.078	-2.234	-0.008
6	B	6	GLY	0	0.032	0.011	5.197	0.324	0.341	-0.001	-0.001	-0.014	0.000
7	B	7	PRO	0	-0.081	-0.028	8.364	0.032	0.032	0.000	0.000	0.000	0.000
8	B	8	ASN	0	-0.025	-0.030	11.039	0.078	0.078	0.000	0.000	0.000	0.000
9	B	9	PHE	0	0.030	0.001	10.738	0.112	0.112	0.000	0.000	0.000	0.000
10	B	10	TYR	0	0.019	0.020	4.009	-0.303	-0.154	-0.001	-0.011	-0.137	0.000
11	B	11	VAL	0	0.037	0.030	8.615	0.277	0.277	0.000	0.000	0.000	0.000
12	B	12	PRO	0	-0.015	0.009	7.957	-0.476	-0.476	0.000	0.000	0.000	0.000
13	B	13	PHE	0	0.011	-0.021	8.337	0.294	0.294	0.000	0.000	0.000	0.000
14	B	14	SER	0	0.060	0.048	6.143	-0.325	-0.325	0.000	0.000	0.000	0.000
15	B	15	ASN	0	0.028	-0.006	6.591	0.677	0.677	0.000	0.000	0.000	0.000
16	B	16	ALA	0	-0.004	0.003	7.149	0.132	0.132	0.000	0.000	0.000	0.000
17	B	17	THR	0	-0.017	-0.014	8.806	0.168	0.168	0.000	0.000	0.000	0.000
18	B	18	GLY	0	0.010	0.024	11.337	0.119	0.119	0.000	0.000	0.000	0.000
19	B	19	VAL	0	-0.017	-0.020	12.366	0.125	0.125	0.000	0.000	0.000	0.000
20	B	20	VAL	0	-0.028	0.018	9.413	0.092	0.092	0.000	0.000	0.000	0.000
21	B	21	ARG	1	0.896	0.938	12.300	0.868	0.868	0.000	0.000	0.000	0.000
22	B	22	SER	0	0.030	0.006	14.134	-0.071	-0.071	0.000	0.000	0.000	0.000
23	B	23	PRO	0	0.039	0.015	13.591	0.086	0.086	0.000	0.000	0.000	0.000
24	B	24	PHE	0	-0.046	-0.029	15.184	0.060	0.060	0.000	0.000	0.000	0.000
25	B	25	GLU	-1	-0.957	-0.957	18.636	-0.431	-0.431	0.000	0.000	0.000	0.000
26	B	26	TYR	0	0.003	-0.004	18.561	0.048	0.048	0.000	0.000	0.000	0.000
27	B	27	PRO	0	0.010	-0.003	19.375	-0.031	-0.031	0.000	0.000	0.000	0.000
28	B	28	GLN	0	0.020	0.031	15.030	-0.141	-0.141	0.000	0.000	0.000	0.000
29	B	29	TYR	0	0.002	-0.012	18.220	0.000	0.000	0.000	0.000	0.000	0.000
30	B	30	TYR	0	-0.002	-0.020	12.774	-0.022	-0.022	0.000	0.000	0.000	0.000
31	B	31	LEU	0	-0.065	-0.009	12.615	-0.014	-0.014	0.000	0.000	0.000	0.000
32	B	32	ALA	0	-0.003	-0.005	16.085	0.031	0.031	0.000	0.000	0.000	0.000
33	B	33	GLU	-1	-0.888	-0.943	19.470	-0.282	-0.282	0.000	0.000	0.000	0.000
34	B	34	PRO	0	0.071	0.016	23.085	0.001	0.001	0.000	0.000	0.000	0.000
35	B	35	TRP	0	0.045	0.013	25.032	0.008	0.008	0.000	0.000	0.000	0.000
36	B	36	GLN	0	0.000	-0.011	22.394	-0.008	-0.008	0.000	0.000	0.000	0.000
37	B	37	PHE	0	0.024	0.022	19.382	0.008	0.008	0.000	0.000	0.000	0.000
38	B	38	SER	0	0.003	0.000	25.159	0.015	0.015	0.000	0.000	0.000	0.000
39	B	39	MET	0	-0.045	-0.013	27.223	0.019	0.019	0.000	0.000	0.000	0.000
40	B	40	LEU	0	0.000	0.010	22.846	0.014	0.014	0.000	0.000	0.000	0.000
41	B	41	ALA	0	0.026	0.017	26.924	0.010	0.010	0.000	0.000	0.000	0.000
42	B	42	ALA	0	0.008	-0.011	29.545	0.013	0.013	0.000	0.000	0.000	0.000
43	B	43	TYR	0	-0.028	-0.015	27.731	0.009	0.009	0.000	0.000	0.000	0.000
44	B	44	MET	0	0.007	-0.002	25.456	0.013	0.013	0.000	0.000	0.000	0.000
45	B	45	PHE	0	-0.003	0.010	30.387	0.010	0.010	0.000	0.000	0.000	0.000
46	B	46	LEU	0	0.000	0.001	33.698	0.010	0.010	0.000	0.000	0.000	0.000
47	B	47	LEU	0	-0.004	-0.010	29.484	0.010	0.010	0.000	0.000	0.000	0.000
48	B	48	ILE	0	-0.008	0.006	32.361	0.007	0.007	0.000	0.000	0.000	0.000
49	B	49	VAL	0	-0.028	-0.014	35.498	0.008	0.008	0.000	0.000	0.000	0.000
50	B	50	LEU	0	-0.025	-0.012	36.812	0.008	0.008	0.000	0.000	0.000	0.000
51	B	51	GLY	0	0.059	0.016	36.169	0.006	0.006	0.000	0.000	0.000	0.000
52	B	52	PHE	0	-0.023	-0.004	37.217	0.005	0.005	0.000	0.000	0.000	0.000
53	B	53	PRO	0	0.007	0.002	39.013	0.005	0.005	0.000	0.000	0.000	0.000
54	B	54	ILE	0	0.043	0.033	40.059	0.006	0.006	0.000	0.000	0.000	0.000
55	B	55	ASN	0	0.036	0.027	37.152	0.010	0.010	0.000	0.000	0.000	0.000
56	B	56	PHE	0	0.025	0.014	41.130	0.004	0.004	0.000	0.000	0.000	0.000
57	B	57	LEU	0	-0.010	-0.003	43.184	0.004	0.004	0.000	0.000	0.000	0.000
58	B	58	THR	0	-0.001	-0.023	43.709	0.005	0.005	0.000	0.000	0.000	0.000
59	B	59	LEU	0	0.010	0.025	41.808	0.005	0.005	0.000	0.000	0.000	0.000
60	B	60	TYR	0	-0.003	0.005	46.089	0.003	0.003	0.000	0.000	0.000	0.000
61	B	61	VAL	0	-0.017	-0.030	48.757	0.003	0.003	0.000	0.000	0.000	0.000
62	B	62	THR	0	-0.027	-0.042	48.140	0.004	0.004	0.000	0.000	0.000	0.000
63	B	63	VAL	0	-0.016	0.003	49.355	0.003	0.003	0.000	0.000	0.000	0.000
64	B	64	GLN	0	-0.036	0.000	51.942	0.004	0.004	0.000	0.000	0.000	0.000
65	B	65	HIS	0	-0.024	-0.008	54.355	0.004	0.004	0.000	0.000	0.000	0.000
66	B	66	LYS	1	0.952	0.958	54.771	0.028	0.028	0.000	0.000	0.000	0.000
67	B	67	LYS	1	0.916	0.951	56.255	0.031	0.031	0.000	0.000	0.000	0.000
68	B	68	LEU	0	0.067	0.038	50.699	0.001	0.001	0.000	0.000	0.000	0.000
69	B	69	ARG	1	0.894	0.958	51.178	0.042	0.042	0.000	0.000	0.000	0.000
70	B	70	THR	0	0.038	0.023	51.220	0.002	0.002	0.000	0.000	0.000	0.000
71	B	71	PRO	0	0.030	0.007	49.374	-0.002	-0.002	0.000	0.000	0.000	0.000
72	B	72	LEU	0	0.036	0.018	47.533	-0.002	-0.002	0.000	0.000	0.000	0.000
73	B	73	ASN	0	-0.023	-0.017	46.402	-0.001	-0.001	0.000	0.000	0.000	0.000
74	B	74	TYR	0	-0.032	-0.008	45.409	-0.003	-0.003	0.000	0.000	0.000	0.000
75	B	75	ILE	0	0.036	0.031	39.614	-0.005	-0.005	0.000	0.000	0.000	0.000
76	B	76	LEU	0	-0.030	-0.019	41.155	-0.003	-0.003	0.000	0.000	0.000	0.000
77	B	77	LEU	0	-0.047	-0.026	42.154	-0.004	-0.004	0.000	0.000	0.000	0.000
78	B	78	ASN	0	0.039	0.020	37.391	-0.009	-0.009	0.000	0.000	0.000	0.000
79	B	79	LEU	0	0.006	0.017	36.242	-0.005	-0.005	0.000	0.000	0.000	0.000
80	B	80	ALA	0	0.029	0.019	37.419	-0.005	-0.005	0.000	0.000	0.000	0.000
81	B	81	VAL	0	-0.024	-0.022	37.257	-0.006	-0.006	0.000	0.000	0.000	0.000
82	B	82	ALA	0	-0.027	-0.004	33.719	-0.008	-0.008	0.000	0.000	0.000	0.000
83	B	83	ASP	-1	-0.795	-0.918	33.414	-0.100	-0.100	0.000	0.000	0.000	0.000
84	B	84	LEU	0	-0.074	-0.044	34.307	-0.008	-0.008	0.000	0.000	0.000	0.000
85	B	85	PHE	0	-0.012	-0.002	31.943	-0.007	-0.007	0.000	0.000	0.000	0.000
86	B	86	MET	0	-0.004	0.016	28.197	-0.011	-0.011	0.000	0.000	0.000	0.000
87	B	87	VAL	0	-0.041	-0.011	30.277	-0.013	-0.013	0.000	0.000	0.000	0.000
88	B	88	LEU	0	-0.048	-0.031	32.091	-0.010	-0.010	0.000	0.000	0.000	0.000
89	B	89	GLY	0	0.025	0.020	30.231	-0.007	-0.007	0.000	0.000	0.000	0.000
90	B	90	GLY	0	0.034	0.019	27.050	-0.018	-0.018	0.000	0.000	0.000	0.000
91	B	91	PHE	0	0.047	0.012	27.322	-0.020	-0.020	0.000	0.000	0.000	0.000
92	B	92	THR	0	0.022	0.010	29.240	-0.012	-0.012	0.000	0.000	0.000	0.000
93	B	93	SER	0	0.018	0.018	26.669	-0.005	-0.005	0.000	0.000	0.000	0.000
94	B	94	THR	0	-0.041	-0.052	23.748	-0.024	-0.024	0.000	0.000	0.000	0.000
95	B	95	LEU	0	-0.022	0.006	25.950	-0.012	-0.012	0.000	0.000	0.000	0.000
96	B	96	TYR	0	0.023	0.019	28.231	0.000	0.000	0.000	0.000	0.000	0.000
97	B	97	THR	0	-0.020	-0.006	23.293	0.001	0.001	0.000	0.000	0.000	0.000
98	B	98	SER	0	-0.029	-0.022	24.504	-0.013	-0.013	0.000	0.000	0.000	0.000
99	B	99	LEU	0	-0.037	-0.019	25.510	-0.001	-0.001	0.000	0.000	0.000	0.000
100	B	100	HIS	0	-0.047	-0.011	25.974	0.008	0.008	0.000	0.000	0.000	0.000
101	B	101	GLY	0	0.001	0.004	23.301	-0.008	-0.008	0.000	0.000	0.000	0.000
102	B	102	TYR	0	-0.032	-0.024	20.000	-0.039	-0.039	0.000	0.000	0.000	0.000
103	B	103	PHE	0	-0.023	-0.005	19.747	0.046	0.046	0.000	0.000	0.000	0.000
104	B	104	VAL	0	0.048	0.013	21.380	-0.018	-0.018	0.000	0.000	0.000	0.000
105	B	105	PHE	0	-0.046	-0.012	24.112	0.007	0.007	0.000	0.000	0.000	0.000
106	B	106	GLY	0	0.044	0.036	20.772	0.013	0.013	0.000	0.000	0.000	0.000
107	B	107	PRO	0	0.032	-0.009	17.785	0.011	0.011	0.000	0.000	0.000	0.000
108	B	108	THR	0	0.026	0.016	19.689	0.008	0.008	0.000	0.000	0.000	0.000
109	B	109	GLY	0	0.056	0.023	23.178	0.020	0.020	0.000	0.000	0.000	0.000
110	B	110	CYS	0	-0.045	0.003	18.394	-0.049	-0.049	0.000	0.000	0.000	0.000
111	B	111	ASN	0	0.031	0.003	19.548	-0.011	-0.011	0.000	0.000	0.000	0.000
112	B	112	LEU	0	-0.003	-0.006	21.786	0.023	0.023	0.000	0.000	0.000	0.000
113	B	113	GLN	0	0.006	0.007	22.929	-0.005	-0.005	0.000	0.000	0.000	0.000
114	B	114	GLY	0	0.042	0.020	21.496	0.015	0.015	0.000	0.000	0.000	0.000
115	B	115	PHE	0	-0.008	0.008	22.519	0.023	0.023	0.000	0.000	0.000	0.000
116	B	116	PHE	0	-0.009	-0.017	24.769	0.020	0.020	0.000	0.000	0.000	0.000
117	B	117	ALA	0	-0.005	0.004	24.215	0.016	0.016	0.000	0.000	0.000	0.000
118	B	118	THR	0	-0.002	-0.002	22.882	0.013	0.013	0.000	0.000	0.000	0.000
119	B	119	LEU	0	0.003	0.001	25.235	0.019	0.019	0.000	0.000	0.000	0.000
120	B	120	GLY	0	-0.012	-0.010	28.541	0.014	0.014	0.000	0.000	0.000	0.000
121	B	121	GLY	0	0.034	0.009	27.993	0.011	0.011	0.000	0.000	0.000	0.000
122	B	122	GLU	-1	-0.821	-0.943	25.610	-0.074	-0.074	0.000	0.000	0.000	0.000
123	B	123	ILE	0	-0.030	-0.016	29.278	0.014	0.014	0.000	0.000	0.000	0.000
124	B	124	ALA	0	0.041	0.028	32.161	0.010	0.010	0.000	0.000	0.000	0.000
125	B	125	LEU	0	-0.032	-0.002	28.669	0.010	0.010	0.000	0.000	0.000	0.000
126	B	126	TRP	0	0.049	-0.011	29.517	0.015	0.015	0.000	0.000	0.000	0.000
127	B	127	SER	0	-0.027	-0.024	34.141	0.007	0.007	0.000	0.000	0.000	0.000
128	B	128	LEU	0	-0.033	-0.015	34.804	0.006	0.006	0.000	0.000	0.000	0.000
129	B	129	VAL	0	-0.025	0.002	33.966	0.006	0.006	0.000	0.000	0.000	0.000
130	B	130	VAL	0	-0.005	0.004	37.190	0.006	0.006	0.000	0.000	0.000	0.000
131	B	131	LEU	0	-0.013	0.003	39.955	0.003	0.003	0.000	0.000	0.000	0.000
132	B	132	ALA	0	-0.018	-0.008	40.080	0.003	0.003	0.000	0.000	0.000	0.000
133	B	133	ILE	0	0.027	-0.003	39.058	0.004	0.004	0.000	0.000	0.000	0.000
134	B	134	GLU	-1	-0.886	-0.962	42.968	-0.027	-0.027	0.000	0.000	0.000	0.000
135	B	135	ARG	1	0.919	0.954	44.453	0.029	0.029	0.000	0.000	0.000	0.000
136	B	136	TYR	0	0.016	0.018	45.505	0.001	0.001	0.000	0.000	0.000	0.000
137	B	137	VAL	0	0.014	-0.003	46.457	0.002	0.002	0.000	0.000	0.000	0.000
138	B	138	VAL	0	-0.068	-0.045	48.973	0.001	0.001	0.000	0.000	0.000	0.000
139	B	139	VAL	0	-0.041	-0.008	50.642	0.000	0.000	0.000	0.000	0.000	0.000
140	B	140	CYS	0	-0.021	0.000	50.028	0.001	0.001	0.000	0.000	0.000	0.000
141	B	141	LYS	1	0.969	1.001	52.658	0.004	0.004	0.000	0.000	0.000	0.000
142	B	142	PRO	0	0.078	0.044	54.446	-0.002	-0.002	0.000	0.000	0.000	0.000
143	B	143	MET	0	0.000	-0.017	57.093	-0.002	-0.002	0.000	0.000	0.000	0.000
144	B	144	SER	0	-0.062	-0.039	51.651	-0.001	-0.001	0.000	0.000	0.000	0.000
145	B	145	ASN	0	0.029	0.018	53.359	-0.003	-0.003	0.000	0.000	0.000	0.000
146	B	146	PHE	0	0.030	0.023	54.987	-0.002	-0.002	0.000	0.000	0.000	0.000
147	B	147	ARG	1	0.844	0.936	52.049	0.008	0.008	0.000	0.000	0.000	0.000
148	B	148	PHE	0	0.030	0.015	46.175	-0.001	-0.001	0.000	0.000	0.000	0.000
149	B	149	GLY	0	0.010	-0.009	51.796	-0.001	-0.001	0.000	0.000	0.000	0.000
150	B	150	GLU	-1	-0.899	-0.964	50.286	-0.032	-0.032	0.000	0.000	0.000	0.000
151	B	151	ASN	0	0.021	0.000	48.650	-0.003	-0.003	0.000	0.000	0.000	0.000
152	B	152	HIS	0	-0.014	-0.003	47.347	0.000	0.000	0.000	0.000	0.000	0.000
153	B	153	ALA	0	0.038	0.032	45.680	0.000	0.000	0.000	0.000	0.000	0.000
154	B	154	ILE	0	-0.011	-0.004	44.234	-0.003	-0.003	0.000	0.000	0.000	0.000
155	B	155	MET	0	-0.010	-0.011	42.871	-0.002	-0.002	0.000	0.000	0.000	0.000
156	B	156	GLY	0	0.045	0.038	41.236	0.000	0.000	0.000	0.000	0.000	0.000
157	B	157	VAL	0	0.025	0.013	39.555	-0.002	-0.002	0.000	0.000	0.000	0.000
158	B	158	ALA	0	-0.015	-0.001	38.420	-0.005	-0.005	0.000	0.000	0.000	0.000
159	B	159	PHE	0	0.000	-0.006	35.334	-0.004	-0.004	0.000	0.000	0.000	0.000
160	B	160	THR	0	-0.023	-0.026	34.814	-0.001	-0.001	0.000	0.000	0.000	0.000
161	B	161	TRP	0	-0.023	-0.025	33.586	-0.007	-0.007	0.000	0.000	0.000	0.000
162	B	162	VAL	0	-0.008	0.006	32.787	-0.007	-0.007	0.000	0.000	0.000	0.000
163	B	163	MET	0	-0.008	0.001	31.101	-0.001	-0.001	0.000	0.000	0.000	0.000
164	B	164	ALA	0	0.019	0.013	29.167	-0.005	-0.005	0.000	0.000	0.000	0.000
165	B	165	LEU	0	0.016	-0.009	27.917	-0.012	-0.012	0.000	0.000	0.000	0.000
166	B	166	ALA	0	-0.030	-0.006	27.682	-0.007	-0.007	0.000	0.000	0.000	0.000
167	B	167	CYS	0	-0.093	-0.029	24.118	0.003	0.003	0.000	0.000	0.000	0.000
168	B	168	ALA	0	0.053	0.033	23.204	-0.015	-0.015	0.000	0.000	0.000	0.000
169	B	169	ALA	0	-0.002	-0.003	23.813	-0.021	-0.021	0.000	0.000	0.000	0.000
170	B	170	PRO	0	-0.037	-0.016	21.524	-0.013	-0.013	0.000	0.000	0.000	0.000
171	B	171	PRO	0	0.014	0.012	18.636	-0.007	-0.007	0.000	0.000	0.000	0.000
172	B	172	LEU	0	-0.050	-0.018	18.785	-0.033	-0.033	0.000	0.000	0.000	0.000
173	B	173	ALA	0	-0.063	-0.026	21.007	-0.011	-0.011	0.000	0.000	0.000	0.000
174	B	174	GLY	0	0.013	0.015	18.147	0.025	0.025	0.000	0.000	0.000	0.000
175	B	175	TRP	0	-0.077	-0.032	16.928	-0.014	-0.014	0.000	0.000	0.000	0.000
176	B	176	SER	0	0.047	0.016	14.735	-0.008	-0.008	0.000	0.000	0.000	0.000
177	B	177	ARG	1	0.849	0.908	8.069	1.028	1.028	0.000	0.000	0.000	0.000
178	B	178	TYR	0	-0.052	-0.028	15.599	-0.004	-0.004	0.000	0.000	0.000	0.000
179	B	179	ILE	0	-0.020	-0.007	11.179	-0.049	-0.049	0.000	0.000	0.000	0.000
180	B	180	PRO	0	-0.010	-0.017	14.257	0.057	0.057	0.000	0.000	0.000	0.000
181	B	181	GLU	-1	-0.892	-0.935	13.952	-0.440	-0.440	0.000	0.000	0.000	0.000
182	B	182	GLY	0	-0.002	-0.016	14.582	0.047	0.047	0.000	0.000	0.000	0.000
183	B	183	LEU	0	-0.020	-0.025	14.934	-0.093	-0.093	0.000	0.000	0.000	0.000
184	B	184	GLN	0	-0.009	-0.013	12.505	-0.049	-0.049	0.000	0.000	0.000	0.000
185	B	185	CYS	0	-0.014	0.005	16.580	0.033	0.033	0.000	0.000	0.000	0.000
186	B	186	SER	0	-0.016	-0.016	19.467	0.035	0.035	0.000	0.000	0.000	0.000
187	B	188	GLY	0	0.041	0.027	17.726	0.052	0.052	0.000	0.000	0.000	0.000
188	B	189	ILE	0	0.004	-0.007	16.540	-0.042	-0.042	0.000	0.000	0.000	0.000
189	B	190	ASP	-1	-0.761	-0.880	10.435	-0.835	-0.835	0.000	0.000	0.000	0.000
190	B	191	TYR	0	-0.041	-0.033	13.564	0.056	0.056	0.000	0.000	0.000	0.000
191	B	192	TYR	0	0.017	0.000	9.142	0.121	0.121	0.000	0.000	0.000	0.000
192	B	193	THR	0	-0.007	0.009	5.274	0.020	0.020	0.000	0.000	0.000	0.000
193	B	194	LEU	0	-0.010	0.006	6.656	0.123	0.123	0.000	0.000	0.000	0.000
194	B	195	LYS	1	0.956	0.992	6.384	0.809	0.809	0.000	0.000	0.000	0.000
195	B	196	PRO	0	-0.009	-0.032	7.797	0.050	0.050	0.000	0.000	0.000	0.000
196	B	197	GLU	-1	-0.894	-0.939	9.272	-0.286	-0.286	0.000	0.000	0.000	0.000
197	B	198	VAL	0	-0.025	-0.003	11.421	0.006	0.006	0.000	0.000	0.000	0.000
198	B	199	ASN	0	-0.033	0.000	12.919	0.041	0.041	0.000	0.000	0.000	0.000
199	B	200	ASN	0	0.058	-0.002	10.402	0.067	0.067	0.000	0.000	0.000	0.000
200	B	201	GLU	-1	-0.907	-0.943	13.033	0.329	0.329	0.000	0.000	0.000	0.000
201	B	202	SER	0	0.040	0.011	14.355	-0.008	-0.008	0.000	0.000	0.000	0.000
202	B	203	PHE	0	0.026	0.021	16.577	0.001	0.001	0.000	0.000	0.000	0.000
203	B	204	VAL	0	0.075	0.036	14.539	-0.006	-0.006	0.000	0.000	0.000	0.000
204	B	205	ILE	0	-0.004	0.011	17.618	0.009	0.009	0.000	0.000	0.000	0.000
205	B	206	TYR	0	-0.005	-0.006	20.000	0.003	0.003	0.000	0.000	0.000	0.000
206	B	207	MET	0	-0.029	-0.021	20.259	0.002	0.002	0.000	0.000	0.000	0.000
207	B	208	PHE	0	-0.001	-0.002	20.962	0.003	0.003	0.000	0.000	0.000	0.000
208	B	209	VAL	0	0.009	-0.005	22.792	0.003	0.003	0.000	0.000	0.000	0.000
209	B	210	VAL	0	-0.020	-0.004	25.208	-0.001	-0.001	0.000	0.000	0.000	0.000
210	B	211	HIS	1	0.842	0.901	25.442	0.050	0.050	0.000	0.000	0.000	0.000
211	B	212	PHE	0	0.056	0.045	25.422	-0.007	-0.007	0.000	0.000	0.000	0.000
212	B	213	THR	0	-0.007	-0.030	27.512	0.003	0.003	0.000	0.000	0.000	0.000
213	B	214	ILE	0	-0.007	0.013	29.777	0.001	0.001	0.000	0.000	0.000	0.000
214	B	215	PRO	0	0.016	0.006	30.348	0.001	0.001	0.000	0.000	0.000	0.000
215	B	216	MET	0	-0.005	0.018	29.155	0.000	0.000	0.000	0.000	0.000	0.000
216	B	217	ILE	0	0.004	0.003	33.328	0.001	0.001	0.000	0.000	0.000	0.000
217	B	218	ILE	0	0.006	0.000	35.633	0.000	0.000	0.000	0.000	0.000	0.000
218	B	219	ILE	0	0.015	0.007	34.735	-0.001	-0.001	0.000	0.000	0.000	0.000
219	B	220	PHE	0	-0.017	-0.016	35.123	-0.001	-0.001	0.000	0.000	0.000	0.000
220	B	221	PHE	0	-0.010	0.009	39.042	0.002	0.002	0.000	0.000	0.000	0.000
221	B	222	CYS	0	-0.056	-0.021	40.832	-0.001	-0.001	0.000	0.000	0.000	0.000
222	B	223	TYR	0	0.031	-0.008	40.008	-0.001	-0.001	0.000	0.000	0.000	0.000
223	B	224	GLY	0	0.021	0.021	42.846	0.000	0.000	0.000	0.000	0.000	0.000
224	B	225	GLN	0	0.027	0.005	44.282	0.000	0.000	0.000	0.000	0.000	0.000
225	B	226	LEU	0	-0.031	0.013	46.354	-0.001	-0.001	0.000	0.000	0.000	0.000
226	B	227	VAL	0	-0.003	-0.017	46.650	0.000	0.000	0.000	0.000	0.000	0.000
227	B	228	PHE	0	-0.023	0.005	48.422	0.000	0.000	0.000	0.000	0.000	0.000
228	B	229	THR	0	0.039	0.003	50.179	0.001	0.001	0.000	0.000	0.000	0.000
229	B	230	VAL	0	-0.025	-0.018	52.017	0.000	0.000	0.000	0.000	0.000	0.000
230	B	231	LYS	1	0.869	0.919	50.227	-0.004	-0.004	0.000	0.000	0.000	0.000
231	B	232	GLU	-1	-0.921	-0.941	54.362	0.013	0.013	0.000	0.000	0.000	0.000
232	B	233	ALA	0	-0.002	-0.010	56.231	0.000	0.000	0.000	0.000	0.000	0.000
233	B	234	ALA	0	-0.056	-0.032	57.324	-0.001	-0.001	0.000	0.000	0.000	0.000
234	B	235	ALA	0	0.013	0.003	58.543	0.000	0.000	0.000	0.000	0.000	0.000
235	B	236	GLN	0	-0.023	-0.002	60.352	0.000	0.000	0.000	0.000	0.000	0.000
236	B	237	GLN	0	-0.050	-0.026	62.443	-0.001	-0.001	0.000	0.000	0.000	0.000
237	B	238	GLN	0	0.015	-0.001	62.274	-0.002	-0.002	0.000	0.000	0.000	0.000
238	B	239	GLU	-1	-0.928	-0.955	64.295	0.000	0.000	0.000	0.000	0.000	0.000
239	B	240	SER	0	-0.017	0.002	64.347	-0.001	-0.001	0.000	0.000	0.000	0.000
240	B	241	ALA	0	0.067	0.012	63.542	0.000	0.000	0.000	0.000	0.000	0.000
241	B	242	THR	0	-0.027	-0.031	61.550	0.000	0.000	0.000	0.000	0.000	0.000
242	B	243	THR	0	0.016	-0.003	58.933	-0.002	-0.002	0.000	0.000	0.000	0.000
243	B	244	GLN	0	0.014	0.021	58.135	0.000	0.000	0.000	0.000	0.000	0.000
244	B	245	LYS	1	0.938	0.976	57.283	0.011	0.011	0.000	0.000	0.000	0.000
245	B	246	ALA	0	0.000	0.010	55.658	-0.001	-0.001	0.000	0.000	0.000	0.000
246	B	247	GLU	-1	-0.800	-0.897	53.320	-0.001	-0.001	0.000	0.000	0.000	0.000
247	B	248	LYS	1	0.957	1.004	50.690	0.008	0.008	0.000	0.000	0.000	0.000
248	B	249	GLU	-1	-0.925	-0.985	51.361	-0.018	-0.018	0.000	0.000	0.000	0.000
249	B	250	VAL	0	0.015	0.012	48.889	-0.002	-0.002	0.000	0.000	0.000	0.000
250	B	251	THR	0	-0.008	-0.021	47.798	0.000	0.000	0.000	0.000	0.000	0.000
251	B	252	ARG	1	0.845	0.931	46.606	0.021	0.021	0.000	0.000	0.000	0.000
252	B	253	MET	0	-0.018	-0.012	45.355	-0.003	-0.003	0.000	0.000	0.000	0.000
253	B	254	VAL	0	0.030	0.014	43.062	-0.002	-0.002	0.000	0.000	0.000	0.000
254	B	255	ILE	0	-0.010	0.000	41.853	0.000	0.000	0.000	0.000	0.000	0.000
255	B	256	ILE	0	-0.002	-0.006	40.512	-0.001	-0.001	0.000	0.000	0.000	0.000
256	B	257	TYR	0	-0.005	-0.006	39.278	-0.003	-0.003	0.000	0.000	0.000	0.000
257	B	258	VAL	0	0.000	0.014	36.645	-0.003	-0.003	0.000	0.000	0.000	0.000
258	B	259	ILE	0	-0.004	-0.004	35.680	-0.001	-0.001	0.000	0.000	0.000	0.000
259	B	260	ALA	0	0.013	0.005	34.724	-0.004	-0.004	0.000	0.000	0.000	0.000
260	B	261	PHE	0	0.015	0.003	31.246	-0.007	-0.007	0.000	0.000	0.000	0.000
261	B	262	LEU	0	-0.010	-0.017	31.199	-0.004	-0.004	0.000	0.000	0.000	0.000
262	B	263	ILE	0	0.002	-0.005	29.808	-0.002	-0.002	0.000	0.000	0.000	0.000
263	B	264	CYS	0	-0.056	-0.007	28.937	-0.012	-0.012	0.000	0.000	0.000	0.000
264	B	265	TRP	0	0.031	0.011	24.873	-0.012	-0.012	0.000	0.000	0.000	0.000
265	B	266	VAL	0	0.005	0.010	25.475	0.001	0.001	0.000	0.000	0.000	0.000
266	B	267	PRO	0	-0.006	0.016	24.178	0.009	0.009	0.000	0.000	0.000	0.000
267	B	268	TYR	0	0.041	0.009	19.136	0.010	0.010	0.000	0.000	0.000	0.000
268	B	269	ALA	0	0.013	0.018	20.231	0.000	0.000	0.000	0.000	0.000	0.000
269	B	270	SER	0	-0.044	-0.035	21.085	0.020	0.020	0.000	0.000	0.000	0.000
270	B	271	VAL	0	0.007	0.004	16.897	0.030	0.030	0.000	0.000	0.000	0.000
271	B	272	ALA	0	0.030	0.010	16.278	0.015	0.015	0.000	0.000	0.000	0.000
272	B	273	PHE	0	-0.010	0.004	16.336	0.039	0.039	0.000	0.000	0.000	0.000
273	B	274	TYR	0	-0.015	-0.016	16.174	0.054	0.054	0.000	0.000	0.000	0.000
274	B	275	ILE	0	-0.026	-0.010	11.476	0.052	0.052	0.000	0.000	0.000	0.000
275	B	276	PHE	0	-0.014	0.005	12.660	0.098	0.098	0.000	0.000	0.000	0.000
276	B	277	THR	0	-0.058	-0.030	14.023	0.107	0.107	0.000	0.000	0.000	0.000
277	B	278	HIS	0	-0.074	-0.024	13.362	0.128	0.128	0.000	0.000	0.000	0.000
278	B	279	GLN	0	0.054	0.011	8.390	-0.190	-0.190	0.000	0.000	0.000	0.000
279	B	280	GLY	0	-0.031	-0.010	7.326	0.132	0.132	0.000	0.000	0.000	0.000
280	B	281	SER	0	-0.030	-0.010	7.433	0.259	0.259	0.000	0.000	0.000	0.000
281	B	283	PHE	0	0.017	0.010	9.176	0.016	0.016	0.000	0.000	0.000	0.000
282	B	284	GLY	0	0.024	0.014	11.479	-0.183	-0.183	0.000	0.000	0.000	0.000
283	B	285	PRO	0	0.059	0.022	13.738	0.042	0.042	0.000	0.000	0.000	0.000
284	B	286	ILE	0	0.025	0.006	15.380	0.047	0.047	0.000	0.000	0.000	0.000
285	B	287	PHE	0	-0.016	-0.009	15.897	0.039	0.039	0.000	0.000	0.000	0.000
286	B	288	MET	0	0.031	0.012	10.861	0.027	0.027	0.000	0.000	0.000	0.000
287	B	289	THR	0	-0.027	-0.018	17.038	0.007	0.007	0.000	0.000	0.000	0.000
288	B	290	ILE	0	0.004	0.010	20.261	0.023	0.023	0.000	0.000	0.000	0.000
289	B	291	PRO	0	0.007	-0.009	19.583	0.018	0.018	0.000	0.000	0.000	0.000
290	B	292	ALA	0	0.028	0.024	21.118	0.011	0.011	0.000	0.000	0.000	0.000
291	B	293	PHE	0	-0.026	-0.005	23.014	0.008	0.008	0.000	0.000	0.000	0.000
292	B	294	PHE	0	0.040	0.022	26.009	0.010	0.010	0.000	0.000	0.000	0.000
293	B	295	ALA	0	0.053	0.031	25.226	0.008	0.008	0.000	0.000	0.000	0.000
294	B	296	LYS	1	0.926	0.963	22.458	0.256	0.256	0.000	0.000	0.000	0.000
295	B	297	SER	0	-0.029	-0.029	28.341	0.007	0.007	0.000	0.000	0.000	0.000
296	B	298	ALA	0	0.014	0.008	30.500	0.008	0.008	0.000	0.000	0.000	0.000
297	B	299	ALA	0	0.022	0.014	31.238	0.007	0.007	0.000	0.000	0.000	0.000
298	B	300	ILE	0	-0.061	-0.013	33.042	0.005	0.005	0.000	0.000	0.000	0.000
299	B	301	TYR	0	-0.029	-0.020	32.006	0.004	0.004	0.000	0.000	0.000	0.000
300	B	302	ASN	0	0.060	0.021	33.829	0.010	0.010	0.000	0.000	0.000	0.000
301	B	303	PRO	0	0.053	0.032	36.952	0.008	0.008	0.000	0.000	0.000	0.000
302	B	304	VAL	0	-0.018	0.002	39.705	0.005	0.005	0.000	0.000	0.000	0.000
303	B	305	ILE	0	0.027	0.001	38.481	0.005	0.005	0.000	0.000	0.000	0.000
304	B	306	TYR	0	-0.005	-0.012	37.800	0.004	0.004	0.000	0.000	0.000	0.000
305	B	307	ILE	0	-0.037	-0.005	41.958	0.003	0.003	0.000	0.000	0.000	0.000
306	B	308	MET	0	-0.019	-0.016	43.799	0.003	0.003	0.000	0.000	0.000	0.000
307	B	309	MET	0	-0.035	-0.016	43.810	0.004	0.004	0.000	0.000	0.000	0.000
308	B	310	ASN	0	0.020	0.029	46.912	0.006	0.006	0.000	0.000	0.000	0.000
309	B	311	LYS	1	0.942	0.977	48.509	0.020	0.020	0.000	0.000	0.000	0.000
310	B	312	GLN	0	0.051	0.008	51.812	0.000	0.000	0.000	0.000	0.000	0.000
311	B	313	PHE	0	0.041	0.012	47.816	0.000	0.000	0.000	0.000	0.000	0.000
312	B	314	ARG	1	0.946	1.003	50.079	0.032	0.032	0.000	0.000	0.000	0.000
313	B	315	ASN	0	-0.018	-0.018	51.184	-0.001	-0.001	0.000	0.000	0.000	0.000
314	B	316	CYS	0	-0.047	-0.018	52.476	0.000	0.000	0.000	0.000	0.000	0.000
315	B	317	MET	0	0.015	0.004	45.769	-0.001	-0.001	0.000	0.000	0.000	0.000
316	B	318	LEU	0	-0.008	0.013	51.791	-0.001	-0.001	0.000	0.000	0.000	0.000
317	B	319	THR	0	-0.004	-0.010	54.406	0.001	0.001	0.000	0.000	0.000	0.000
318	B	320	THR	0	-0.047	-0.025	52.223	0.000	0.000	0.000	0.000	0.000	0.000
319	B	321	ILE	0	0.005	0.006	49.399	-0.001	-0.001	0.000	0.000	0.000	0.000
320	B	322	CYS	0	-0.074	-0.023	53.165	-0.001	-0.001	0.000	0.000	0.000	0.000
321	B	323	CYS	0	-0.022	-0.008	56.212	0.001	0.001	0.000	0.000	0.000	0.000
322	B	324	GLY	0	0.013	0.012	57.928	0.001	0.001	0.000	0.000	0.000	0.000
323	B	325	LYS	1	0.932	0.966	59.841	0.035	0.035	0.000	0.000	0.000	0.000
324	B	326	ASN	0	0.004	0.012	58.376	0.001	0.001	0.000	0.000	0.000	0.000
325	B	2012	VAL	0	0.034	0.023	90.732	0.000	0.000	0.000	0.000	0.000	0.000
326	B	2013	ILE	0	-0.034	-0.020	89.383	0.000	0.000	0.000	0.000	0.000	0.000
327	B	2014	PHE	0	-0.023	-0.002	83.508	-0.001	-0.001	0.000	0.000	0.000	0.000
328	B	2015	LYS	1	0.981	0.989	85.253	0.011	0.011	0.000	0.000	0.000	0.000
329	B	2016	LYS	1	0.839	0.930	75.751	0.013	0.013	0.000	0.000	0.000	0.000
330	B	2017	VAL	0	-0.012	0.001	82.431	0.000	0.000	0.000	0.000	0.000	0.000
331	B	2018	SER	0	0.009	0.018	78.085	0.000	0.000	0.000	0.000	0.000	0.000
332	B	2019	ARG	1	0.920	0.949	71.296	0.019	0.019	0.000	0.000	0.000	0.000
333	B	2020	ASP	-1	-0.886	-0.966	77.771	-0.015	-0.015	0.000	0.000	0.000	0.000
334	B	2021	LYS	1	0.906	0.960	79.354	0.015	0.015	0.000	0.000	0.000	0.000
335	B	2022	SER	0	0.049	0.053	81.188	0.000	0.000	0.000	0.000	0.000	0.000
336	B	2023	VAL	0	0.049	0.022	80.208	0.001	0.001	0.000	0.000	0.000	0.000
337	B	2024	THR	0	-0.066	-0.048	82.128	-0.001	-0.001	0.000	0.000	0.000	0.000
338	B	2025	ILE	0	0.011	0.018	80.146	0.000	0.000	0.000	0.000	0.000	0.000
339	B	2026	TYR	0	-0.004	-0.023	83.397	0.000	0.000	0.000	0.000	0.000	0.000
340	B	2027	LEU	0	0.030	0.003	81.145	0.000	0.000	0.000	0.000	0.000	0.000
341	B	2028	GLY	0	0.036	0.021	85.724	0.000	0.000	0.000	0.000	0.000	0.000
342	B	2029	LYS	1	0.923	0.965	85.323	0.004	0.004	0.000	0.000	0.000	0.000
343	B	2030	ARG	1	0.919	0.973	78.226	0.009	0.009	0.000	0.000	0.000	0.000
344	B	2031	ASP	-1	-0.832	-0.918	81.062	-0.006	-0.006	0.000	0.000	0.000	0.000
345	B	2032	TYR	0	-0.009	0.002	80.935	0.000	0.000	0.000	0.000	0.000	0.000
346	B	2033	VAL	0	0.005	0.009	81.067	0.000	0.000	0.000	0.000	0.000	0.000
347	B	2034	ASP	-1	-0.820	-0.927	78.347	0.000	0.000	0.000	0.000	0.000	0.000
348	B	2035	HIS	0	-0.008	0.000	81.536	0.000	0.000	0.000	0.000	0.000	0.000
349	B	2036	VAL	0	0.047	0.023	80.452	0.000	0.000	0.000	0.000	0.000	0.000
350	B	2037	SER	0	-0.017	0.001	81.312	0.000	0.000	0.000	0.000	0.000	0.000
351	B	2038	GLN	0	0.015	0.001	82.816	0.000	0.000	0.000	0.000	0.000	0.000
352	B	2039	VAL	0	0.026	0.008	79.073	0.000	0.000	0.000	0.000	0.000	0.000
353	B	2040	GLU	-1	-0.923	-0.970	82.491	-0.002	-0.002	0.000	0.000	0.000	0.000
354	B	2041	PRO	0	-0.041	-0.017	82.854	0.000	0.000	0.000	0.000	0.000	0.000
355	B	2042	VAL	0	0.006	-0.005	80.034	0.000	0.000	0.000	0.000	0.000	0.000
356	B	2043	ASP	-1	-0.864	-0.944	83.364	-0.004	-0.004	0.000	0.000	0.000	0.000
357	B	2044	GLY	0	-0.006	-0.014	86.212	0.000	0.000	0.000	0.000	0.000	0.000
358	B	2045	VAL	0	-0.001	0.002	87.019	0.000	0.000	0.000	0.000	0.000	0.000
359	B	2046	VAL	0	-0.042	-0.025	82.583	0.000	0.000	0.000	0.000	0.000	0.000
360	B	2047	LEU	0	0.002	0.010	85.854	0.000	0.000	0.000	0.000	0.000	0.000
361	B	2048	VAL	0	-0.029	-0.029	84.339	-0.001	-0.001	0.000	0.000	0.000	0.000
362	B	2049	ASP	-1	-0.838	-0.929	85.700	-0.012	-0.012	0.000	0.000	0.000	0.000
363	B	2050	PRO	0	0.018	0.000	86.223	0.000	0.000	0.000	0.000	0.000	0.000
364	B	2051	GLU	-1	-0.933	-0.957	87.365	-0.012	-0.012	0.000	0.000	0.000	0.000
365	B	2052	LEU	0	-0.087	-0.035	82.034	0.000	0.000	0.000	0.000	0.000	0.000
366	B	2053	VAL	0	-0.081	-0.034	81.759	0.000	0.000	0.000	0.000	0.000	0.000
367	B	2054	LYS	1	1.026	1.014	83.068	0.011	0.011	0.000	0.000	0.000	0.000
368	B	2055	GLY	0	-0.017	-0.008	82.528	0.000	0.000	0.000	0.000	0.000	0.000
369	B	2056	LYS	1	0.846	0.928	77.071	0.014	0.014	0.000	0.000	0.000	0.000
370	B	2057	LYS	1	0.972	0.985	75.907	0.009	0.009	0.000	0.000	0.000	0.000
371	B	2058	VAL	0	-0.016	-0.008	78.358	-0.001	-0.001	0.000	0.000	0.000	0.000
372	B	2059	TYR	0	0.029	0.004	76.355	0.000	0.000	0.000	0.000	0.000	0.000
373	B	2060	VAL	0	-0.026	-0.002	78.320	-0.001	-0.001	0.000	0.000	0.000	0.000
374	B	2061	THR	0	-0.051	-0.040	73.958	0.000	0.000	0.000	0.000	0.000	0.000
375	B	2062	LEU	0	0.009	0.006	75.199	-0.001	-0.001	0.000	0.000	0.000	0.000
376	B	2063	THR	0	-0.006	-0.008	69.164	0.000	0.000	0.000	0.000	0.000	0.000
377	B	2064	CYS	0	-0.064	-0.032	70.806	0.000	0.000	0.000	0.000	0.000	0.000
378	B	2065	ALA	0	0.018	-0.006	66.072	0.000	0.000	0.000	0.000	0.000	0.000
379	B	2066	PHE	0	0.039	0.029	61.655	0.000	0.000	0.000	0.000	0.000	0.000
380	B	2067	ARG	1	0.780	0.881	62.798	0.011	0.011	0.000	0.000	0.000	0.000
381	B	2068	TYR	0	0.029	-0.020	55.577	0.001	0.001	0.000	0.000	0.000	0.000
382	B	2069	GLY	0	0.026	0.029	57.381	-0.001	-0.001	0.000	0.000	0.000	0.000
383	B	2070	GLN	0	-0.104	-0.065	57.096	0.000	0.000	0.000	0.000	0.000	0.000
384	B	2071	GLU	-1	-0.892	-0.951	58.187	-0.021	-0.021	0.000	0.000	0.000	0.000
385	B	2072	ASP	-1	-0.848	-0.947	57.282	-0.027	-0.027	0.000	0.000	0.000	0.000
386	B	2073	ILE	0	-0.011	-0.010	53.129	-0.001	-0.001	0.000	0.000	0.000	0.000
387	B	2074	ASP	-1	-0.843	-0.930	52.884	-0.018	-0.018	0.000	0.000	0.000	0.000
388	B	2075	VAL	0	-0.033	-0.022	53.788	0.000	0.000	0.000	0.000	0.000	0.000
389	B	2076	MET	0	-0.186	-0.076	53.509	-0.001	-0.001	0.000	0.000	0.000	0.000
390	B	2077	GLY	0	0.031	0.021	50.123	-0.001	-0.001	0.000	0.000	0.000	0.000
391	B	2078	LEU	0	-0.050	-0.022	47.195	-0.001	-0.001	0.000	0.000	0.000	0.000
392	B	2079	THR	0	0.035	0.011	50.590	0.001	0.001	0.000	0.000	0.000	0.000
393	B	2080	PHE	0	-0.062	-0.001	53.881	-0.001	-0.001	0.000	0.000	0.000	0.000
394	B	2081	ARG	1	0.956	0.981	57.234	0.013	0.013	0.000	0.000	0.000	0.000
395	B	2082	ARG	1	0.937	0.971	58.949	0.001	0.001	0.000	0.000	0.000	0.000
396	B	2083	ASP	-1	-0.892	-0.951	61.450	-0.008	-0.008	0.000	0.000	0.000	0.000
397	B	2084	LEU	0	-0.038	-0.027	64.863	0.001	0.001	0.000	0.000	0.000	0.000
398	B	2085	TYR	0	0.034	0.014	66.900	0.001	0.001	0.000	0.000	0.000	0.000
399	B	2086	PHE	0	0.032	0.017	69.149	-0.001	-0.001	0.000	0.000	0.000	0.000
400	B	2087	SER	0	0.034	0.031	70.929	0.001	0.001	0.000	0.000	0.000	0.000
401	B	2088	ARG	1	0.873	0.939	70.428	0.005	0.005	0.000	0.000	0.000	0.000
402	B	2089	VAL	0	0.052	0.021	75.273	0.001	0.001	0.000	0.000	0.000	0.000
403	B	2090	GLN	0	0.014	0.016	78.910	0.000	0.000	0.000	0.000	0.000	0.000
404	B	2091	VAL	0	-0.001	-0.016	80.763	0.000	0.000	0.000	0.000	0.000	0.000
405	B	2092	TYR	0	-0.019	0.025	83.217	0.000	0.000	0.000	0.000	0.000	0.000
406	B	2093	PRO	0	-0.012	-0.029	83.083	0.000	0.000	0.000	0.000	0.000	0.000
407	B	2094	PRO	0	0.039	0.008	85.186	0.000	0.000	0.000	0.000	0.000	0.000
408	B	2095	VAL	0	0.019	0.014	83.506	0.000	0.000	0.000	0.000	0.000	0.000
409	B	2096	GLY	0	-0.013	0.005	86.707	0.000	0.000	0.000	0.000	0.000	0.000
410	B	2097	ALA	0	-0.044	-0.027	87.963	0.000	0.000	0.000	0.000	0.000	0.000
411	B	2098	MET	0	0.002	-0.005	87.388	0.000	0.000	0.000	0.000	0.000	0.000
412	B	2099	SER	0	0.031	0.016	90.189	0.000	0.000	0.000	0.000	0.000	0.000
413	B	2100	VAL	0	0.006	0.010	93.286	0.000	0.000	0.000	0.000	0.000	0.000
414	B	2101	LEU	0	0.003	-0.003	91.902	0.000	0.000	0.000	0.000	0.000	0.000
415	B	2102	THR	0	0.041	0.036	90.787	0.000	0.000	0.000	0.000	0.000	0.000
416	B	2103	GLN	0	0.095	0.034	93.795	-0.001	-0.001	0.000	0.000	0.000	0.000
417	B	2104	LEU	0	-0.027	-0.005	88.939	0.000	0.000	0.000	0.000	0.000	0.000
418	B	2105	GLN	0	0.000	-0.017	88.393	0.000	0.000	0.000	0.000	0.000	0.000
419	B	2106	GLU	-1	-0.900	-0.943	92.923	-0.004	-0.004	0.000	0.000	0.000	0.000
420	B	2107	SER	0	-0.065	-0.040	95.954	0.000	0.000	0.000	0.000	0.000	0.000
421	B	2108	LEU	0	-0.028	-0.030	90.186	0.000	0.000	0.000	0.000	0.000	0.000
422	B	2109	LEU	0	-0.005	0.004	92.889	0.000	0.000	0.000	0.000	0.000	0.000
423	B	2110	LYS	1	0.938	0.982	95.440	0.004	0.004	0.000	0.000	0.000	0.000
424	B	2111	LYS	1	0.881	0.954	96.060	0.006	0.006	0.000	0.000	0.000	0.000
425	B	2112	LEU	0	-0.063	-0.028	91.038	0.000	0.000	0.000	0.000	0.000	0.000
426	B	2113	GLY	0	0.027	0.014	94.481	0.000	0.000	0.000	0.000	0.000	0.000
427	B	2114	ASP	-1	-0.844	-0.928	94.981	-0.008	-0.008	0.000	0.000	0.000	0.000
428	B	2115	ASN	0	-0.040	-0.004	90.113	0.000	0.000	0.000	0.000	0.000	0.000
429	B	2116	THR	0	-0.003	-0.016	89.716	-0.001	-0.001	0.000	0.000	0.000	0.000
430	B	2117	TYR	0	0.019	0.003	87.257	0.001	0.001	0.000	0.000	0.000	0.000
431	B	2118	PRO	0	0.024	0.007	87.588	0.000	0.000	0.000	0.000	0.000	0.000
432	B	2119	PHE	0	-0.028	-0.014	82.594	0.000	0.000	0.000	0.000	0.000	0.000
433	B	2120	LEU	0	-0.001	-0.010	84.825	0.000	0.000	0.000	0.000	0.000	0.000
434	B	2121	LEU	0	-0.028	0.001	78.457	0.000	0.000	0.000	0.000	0.000	0.000
435	B	2122	THR	0	0.017	0.004	80.911	0.000	0.000	0.000	0.000	0.000	0.000
436	B	2123	PHE	0	0.002	-0.005	76.444	0.000	0.000	0.000	0.000	0.000	0.000
437	B	2124	PRO	0	-0.001	0.009	74.680	0.000	0.000	0.000	0.000	0.000	0.000
438	B	2125	ASP	-1	-0.857	-0.951	76.985	0.003	0.003	0.000	0.000	0.000	0.000
439	B	2126	TYR	0	0.019	0.016	70.531	0.000	0.000	0.000	0.000	0.000	0.000
440	B	2127	LEU	0	-0.038	-0.020	71.419	0.000	0.000	0.000	0.000	0.000	0.000
441	B	2128	PRO	0	0.031	0.026	69.099	0.000	0.000	0.000	0.000	0.000	0.000
442	B	2129	CYS	0	0.032	0.014	72.142	0.000	0.000	0.000	0.000	0.000	0.000
443	B	2130	SER	0	-0.075	-0.032	71.944	-0.001	-0.001	0.000	0.000	0.000	0.000
444	B	2131	VAL	0	0.063	0.040	69.095	0.000	0.000	0.000	0.000	0.000	0.000
445	B	2132	MET	0	-0.010	-0.001	67.759	-0.001	-0.001	0.000	0.000	0.000	0.000
446	B	2133	LEU	0	0.008	0.005	62.634	0.001	0.001	0.000	0.000	0.000	0.000
447	B	2134	GLN	0	-0.026	-0.022	65.894	-0.002	-0.002	0.000	0.000	0.000	0.000
448	B	2135	PRO	0	-0.011	0.000	63.242	0.000	0.000	0.000	0.000	0.000	0.000
449	B	2136	ALA	0	-0.024	-0.018	61.651	0.000	0.000	0.000	0.000	0.000	0.000
450	B	2137	PRO	0	0.062	0.038	63.741	-0.001	-0.001	0.000	0.000	0.000	0.000
451	B	2138	GLN	0	0.038	0.007	59.234	-0.001	-0.001	0.000	0.000	0.000	0.000
452	B	2139	ASP	-1	-0.885	-0.943	59.187	-0.019	-0.019	0.000	0.000	0.000	0.000
453	B	2140	VAL	0	0.033	0.018	59.440	0.001	0.001	0.000	0.000	0.000	0.000
454	B	2141	GLY	0	-0.029	-0.013	59.207	0.000	0.000	0.000	0.000	0.000	0.000
455	B	2142	LYS	1	0.845	0.936	55.758	0.020	0.020	0.000	0.000	0.000	0.000
456	B	2143	SER	0	0.020	0.005	59.982	0.000	0.000	0.000	0.000	0.000	0.000
457	B	2144	CYS	0	-0.048	-0.015	60.431	0.000	0.000	0.000	0.000	0.000	0.000
458	B	2145	GLY	0	-0.008	-0.004	62.804	0.000	0.000	0.000	0.000	0.000	0.000
459	B	2146	VAL	0	0.011	0.014	66.001	0.000	0.000	0.000	0.000	0.000	0.000
460	B	2147	ASP	-1	-0.860	-0.918	68.066	-0.010	-0.010	0.000	0.000	0.000	0.000
461	B	2148	PHE	0	0.019	0.016	70.565	0.000	0.000	0.000	0.000	0.000	0.000
462	B	2149	GLU	-1	-0.894	-0.973	70.703	-0.012	-0.012	0.000	0.000	0.000	0.000
463	B	2150	VAL	0	0.045	0.040	73.887	0.000	0.000	0.000	0.000	0.000	0.000
464	B	2151	LYS	1	0.889	0.942	69.909	0.011	0.011	0.000	0.000	0.000	0.000
465	B	2152	ALA	0	0.063	0.041	75.951	0.001	0.001	0.000	0.000	0.000	0.000
466	B	2153	PHE	0	-0.009	-0.014	73.159	-0.001	-0.001	0.000	0.000	0.000	0.000
467	B	2154	ALA	0	0.058	0.039	76.802	0.001	0.001	0.000	0.000	0.000	0.000
468	B	2155	SER	0	-0.087	-0.050	73.555	-0.001	-0.001	0.000	0.000	0.000	0.000
469	B	2156	ASP	-1	-0.772	-0.891	74.368	-0.013	-0.013	0.000	0.000	0.000	0.000
470	B	2157	ILE	0	-0.035	-0.007	69.251	0.000	0.000	0.000	0.000	0.000	0.000
471	B	2158	THR	0	-0.051	-0.039	71.141	0.000	0.000	0.000	0.000	0.000	0.000
472	B	2159	ASP	-1	-0.811	-0.913	71.904	-0.007	-0.007	0.000	0.000	0.000	0.000
473	B	2160	PRO	0	-0.015	-0.003	68.060	0.000	0.000	0.000	0.000	0.000	0.000
474	B	2161	GLU	-1	-1.013	-0.979	64.627	-0.013	-0.013	0.000	0.000	0.000	0.000
475	B	2162	GLU	-1	-0.889	-0.957	66.308	-0.010	-0.010	0.000	0.000	0.000	0.000
476	B	2163	ASP	-1	-0.898	-0.934	61.441	-0.015	-0.015	0.000	0.000	0.000	0.000
477	B	2164	LYS	1	0.908	0.954	59.025	0.020	0.020	0.000	0.000	0.000	0.000
478	B	2165	ILE	0	0.026	0.012	65.064	0.001	0.001	0.000	0.000	0.000	0.000
479	B	2166	PRO	0	0.003	-0.007	68.087	-0.001	-0.001	0.000	0.000	0.000	0.000
480	B	2167	LYS	1	0.958	0.964	64.117	0.023	0.023	0.000	0.000	0.000	0.000
481	B	2168	LYS	1	0.906	0.956	70.734	0.018	0.018	0.000	0.000	0.000	0.000
482	B	2169	SER	0	0.052	0.026	74.092	0.000	0.000	0.000	0.000	0.000	0.000
483	B	2170	SER	0	-0.043	-0.003	72.667	0.001	0.001	0.000	0.000	0.000	0.000
484	B	2171	VAL	0	0.004	0.002	75.086	-0.001	-0.001	0.000	0.000	0.000	0.000
485	B	2172	ARG	1	0.935	0.972	68.411	0.015	0.015	0.000	0.000	0.000	0.000
486	B	2173	LEU	0	-0.035	-0.044	75.755	-0.001	-0.001	0.000	0.000	0.000	0.000
487	B	2174	LEU	0	-0.014	0.014	73.502	0.000	0.000	0.000	0.000	0.000	0.000
488	B	2175	ILE	0	-0.018	0.001	75.952	0.000	0.000	0.000	0.000	0.000	0.000
489	B	2176	ARG	1	0.821	0.888	75.939	0.006	0.006	0.000	0.000	0.000	0.000
490	B	2177	LYS	1	0.903	0.982	75.529	0.001	0.001	0.000	0.000	0.000	0.000
491	B	2178	VAL	0	-0.007	-0.020	77.184	0.000	0.000	0.000	0.000	0.000	0.000
492	B	2179	GLN	0	0.027	0.000	77.331	0.000	0.000	0.000	0.000	0.000	0.000
493	B	2180	HIS	0	-0.019	-0.003	80.517	0.000	0.000	0.000	0.000	0.000	0.000
494	B	2181	ALA	0	0.007	-0.001	83.421	0.000	0.000	0.000	0.000	0.000	0.000
495	B	2182	PRO	0	-0.025	-0.009	83.477	0.000	0.000	0.000	0.000	0.000	0.000
496	B	2183	PRO	0	-0.020	-0.015	86.517	0.000	0.000	0.000	0.000	0.000	0.000
497	B	2184	GLU	-1	-0.931	-0.961	88.413	0.005	0.005	0.000	0.000	0.000	0.000
498	B	2185	MET	0	-0.068	-0.028	86.586	0.000	0.000	0.000	0.000	0.000	0.000
499	B	2186	GLY	0	0.045	0.021	84.476	0.000	0.000	0.000	0.000	0.000	0.000
500	B	2187	PRO	0	0.005	-0.004	83.735	0.000	0.000	0.000	0.000	0.000	0.000
501	B	2188	GLN	0	-0.030	-0.031	84.593	0.000	0.000	0.000	0.000	0.000	0.000
502	B	2189	PRO	0	0.016	0.013	80.711	0.001	0.001	0.000	0.000	0.000	0.000
503	B	2190	SER	0	-0.034	-0.028	82.278	0.000	0.000	0.000	0.000	0.000	0.000
504	B	2191	ALA	0	-0.012	0.016	77.273	0.000	0.000	0.000	0.000	0.000	0.000
505	B	2192	GLU	-1	-0.881	-0.954	78.507	0.010	0.010	0.000	0.000	0.000	0.000
506	B	2193	ALA	0	-0.019	-0.005	74.374	0.001	0.001	0.000	0.000	0.000	0.000
507	B	2194	SER	0	0.002	0.007	75.816	0.000	0.000	0.000	0.000	0.000	0.000
508	B	2195	TRP	0	-0.027	-0.019	69.982	0.000	0.000	0.000	0.000	0.000	0.000
509	B	2196	GLN	0	0.022	0.008	71.617	0.000	0.000	0.000	0.000	0.000	0.000
510	B	2197	PHE	0	-0.041	-0.035	68.880	0.000	0.000	0.000	0.000	0.000	0.000
511	B	2198	PHE	0	-0.004	-0.001	65.691	0.000	0.000	0.000	0.000	0.000	0.000
512	B	2199	MET	0	-0.005	0.012	67.647	0.001	0.001	0.000	0.000	0.000	0.000
513	B	2200	SER	0	-0.025	-0.013	70.054	0.000	0.000	0.000	0.000	0.000	0.000
514	B	2201	ASP	-1	-0.852	-0.933	72.927	0.018	0.018	0.000	0.000	0.000	0.000
515	B	2202	LYS	1	0.925	0.972	74.599	-0.014	-0.014	0.000	0.000	0.000	0.000
516	B	2203	PRO	0	0.009	0.013	76.097	0.000	0.000	0.000	0.000	0.000	0.000
517	B	2204	LEU	0	-0.022	-0.021	74.554	-0.001	-0.001	0.000	0.000	0.000	0.000
518	B	2205	ASN	0	-0.011	0.000	77.098	0.001	0.001	0.000	0.000	0.000	0.000
519	B	2206	LEU	0	-0.039	-0.024	75.856	-0.001	-0.001	0.000	0.000	0.000	0.000
520	B	2207	SER	0	0.061	0.041	79.248	0.000	0.000	0.000	0.000	0.000	0.000
521	B	2208	VAL	0	-0.044	-0.019	77.553	-0.001	-0.001	0.000	0.000	0.000	0.000
522	B	2209	SER	0	0.056	0.025	80.932	0.000	0.000	0.000	0.000	0.000	0.000
523	B	2210	LEU	0	-0.031	-0.006	79.643	-0.001	-0.001	0.000	0.000	0.000	0.000
524	B	2211	SER	0	-0.020	-0.009	84.112	0.000	0.000	0.000	0.000	0.000	0.000
525	B	2212	LYS	1	0.948	0.966	85.462	-0.001	-0.001	0.000	0.000	0.000	0.000
526	B	2213	GLU	-1	-0.891	-0.937	80.691	0.004	0.004	0.000	0.000	0.000	0.000
527	B	2214	ILE	0	-0.019	-0.015	81.800	0.000	0.000	0.000	0.000	0.000	0.000
528	B	2215	TYR	0	0.024	0.008	81.482	0.000	0.000	0.000	0.000	0.000	0.000
529	B	2216	PHE	0	0.014	0.004	82.207	0.000	0.000	0.000	0.000	0.000	0.000
530	B	2217	HIS	0	-0.007	-0.012	77.425	0.000	0.000	0.000	0.000	0.000	0.000
531	B	2218	GLY	0	-0.024	-0.011	81.642	0.000	0.000	0.000	0.000	0.000	0.000
532	B	2219	GLU	-1	-0.848	-0.921	83.374	0.000	0.000	0.000	0.000	0.000	0.000
533	B	2220	PRO	0	-0.038	-0.028	83.222	0.000	0.000	0.000	0.000	0.000	0.000
534	B	2221	ILE	0	0.026	0.013	79.347	0.000	0.000	0.000	0.000	0.000	0.000
535	B	2222	PRO	0	-0.056	-0.017	82.312	0.000	0.000	0.000	0.000	0.000	0.000
536	B	2223	VAL	0	0.022	0.002	79.031	0.000	0.000	0.000	0.000	0.000	0.000
537	B	2224	THR	0	-0.023	-0.016	82.334	0.000	0.000	0.000	0.000	0.000	0.000
538	B	2225	VAL	0	-0.021	0.009	79.135	0.001	0.001	0.000	0.000	0.000	0.000
539	B	2226	THR	0	0.003	-0.027	82.197	0.000	0.000	0.000	0.000	0.000	0.000
540	B	2227	VAL	0	0.014	0.008	79.013	0.000	0.000	0.000	0.000	0.000	0.000
541	B	2228	THR	0	-0.007	-0.019	81.806	0.000	0.000	0.000	0.000	0.000	0.000
542	B	2229	ASN	0	0.003	0.024	78.330	0.001	0.001	0.000	0.000	0.000	0.000
543	B	2230	ASN	0	0.012	0.005	80.558	-0.001	-0.001	0.000	0.000	0.000	0.000
544	B	2231	THR	0	-0.076	-0.053	75.911	0.001	0.001	0.000	0.000	0.000	0.000
545	B	2232	ASP	-1	-0.845	-0.940	76.208	0.013	0.013	0.000	0.000	0.000	0.000
546	B	2233	LYS	1	0.843	0.946	69.448	-0.015	-0.015	0.000	0.000	0.000	0.000
547	B	2234	VAL	0	0.012	0.021	75.071	0.000	0.000	0.000	0.000	0.000	0.000
548	B	2235	VAL	0	0.007	0.008	74.428	0.000	0.000	0.000	0.000	0.000	0.000
549	B	2236	LYS	1	0.923	0.944	71.635	-0.006	-0.006	0.000	0.000	0.000	0.000
550	B	2237	LYS	1	0.926	0.967	71.578	-0.003	-0.003	0.000	0.000	0.000	0.000
551	B	2238	ILE	0	0.022	0.019	74.546	0.001	0.001	0.000	0.000	0.000	0.000
552	B	2239	LYS	1	0.954	0.979	68.855	-0.002	-0.002	0.000	0.000	0.000	0.000
553	B	2240	VAL	0	0.030	0.018	73.934	0.001	0.001	0.000	0.000	0.000	0.000
554	B	2241	SER	0	-0.022	-0.027	71.229	-0.001	-0.001	0.000	0.000	0.000	0.000
555	B	2242	VAL	0	0.017	0.023	73.263	0.001	0.001	0.000	0.000	0.000	0.000
556	B	2243	GLU	-1	-0.895	-0.973	67.848	0.003	0.003	0.000	0.000	0.000	0.000
557	B	2244	GLN	0	-0.003	-0.002	69.365	0.000	0.000	0.000	0.000	0.000	0.000
558	B	2245	ILE	0	-0.011	-0.013	65.655	0.000	0.000	0.000	0.000	0.000	0.000
559	B	2246	ALA	0	-0.005	-0.010	64.275	0.000	0.000	0.000	0.000	0.000	0.000
560	B	2247	ASN	0	0.001	0.003	63.809	0.001	0.001	0.000	0.000	0.000	0.000
561	B	2248	VAL	0	-0.061	-0.036	60.950	-0.001	-0.001	0.000	0.000	0.000	0.000
562	B	2249	VAL	0	0.060	0.041	61.608	0.001	0.001	0.000	0.000	0.000	0.000
563	B	2250	LEU	0	-0.084	-0.047	58.641	-0.001	-0.001	0.000	0.000	0.000	0.000
564	B	2251	TYR	0	-0.014	-0.004	55.891	0.000	0.000	0.000	0.000	0.000	0.000
565	B	2252	SER	0	0.045	0.025	56.109	0.001	0.001	0.000	0.000	0.000	0.000
566	B	2253	SER	0	-0.032	-0.018	58.090	-0.001	-0.001	0.000	0.000	0.000	0.000
567	B	2254	ASP	-1	-0.925	-0.945	56.979	0.005	0.005	0.000	0.000	0.000	0.000
568	B	2255	TYR	0	0.057	0.020	59.665	-0.001	-0.001	0.000	0.000	0.000	0.000
569	B	2256	TYR	0	-0.032	-0.034	56.713	-0.001	-0.001	0.000	0.000	0.000	0.000
570	B	2257	VAL	0	0.033	0.040	61.896	-0.001	-0.001	0.000	0.000	0.000	0.000
571	B	2258	LYS	1	0.929	0.955	61.812	0.004	0.004	0.000	0.000	0.000	0.000
572	B	2259	PRO	0	0.021	0.030	65.402	0.000	0.000	0.000	0.000	0.000	0.000
573	B	2260	VAL	0	-0.011	-0.003	68.406	-0.001	-0.001	0.000	0.000	0.000	0.000
574	B	2261	ALA	0	0.011	0.009	71.316	-0.001	-0.001	0.000	0.000	0.000	0.000
575	B	2262	SER	0	-0.080	-0.051	71.843	0.001	0.001	0.000	0.000	0.000	0.000
576	B	2263	GLU	-1	-0.866	-0.911	73.940	-0.002	-0.002	0.000	0.000	0.000	0.000
577	B	2264	GLU	-1	-0.911	-0.970	72.559	0.002	0.002	0.000	0.000	0.000	0.000
578	B	2265	THR	0	0.006	0.014	76.386	-0.001	-0.001	0.000	0.000	0.000	0.000
579	B	2266	GLN	0	-0.034	-0.039	75.935	0.001	0.001	0.000	0.000	0.000	0.000
580	B	2267	GLU	-1	-0.888	-0.935	78.888	0.003	0.003	0.000	0.000	0.000	0.000
581	B	2268	LYS	1	0.973	0.988	78.856	-0.005	-0.005	0.000	0.000	0.000	0.000
582	B	2269	VAL	0	-0.002	-0.001	79.492	0.000	0.000	0.000	0.000	0.000	0.000
583	B	2270	GLN	0	-0.007	-0.017	79.920	0.001	0.001	0.000	0.000	0.000	0.000
584	B	2271	PRO	0	0.070	0.027	79.631	0.000	0.000	0.000	0.000	0.000	0.000
585	B	2272	ASN	0	-0.019	-0.002	81.905	0.000	0.000	0.000	0.000	0.000	0.000
586	B	2273	SER	0	-0.022	0.002	84.017	-0.001	-0.001	0.000	0.000	0.000	0.000
587	B	2274	THR	0	-0.015	-0.009	84.073	0.000	0.000	0.000	0.000	0.000	0.000
588	B	2275	LEU	0	-0.010	-0.002	82.708	0.000	0.000	0.000	0.000	0.000	0.000
589	B	2276	THR	0	0.010	0.006	84.968	0.000	0.000	0.000	0.000	0.000	0.000
590	B	2277	LYS	1	0.850	0.934	83.415	-0.003	-0.003	0.000	0.000	0.000	0.000
591	B	2278	THR	0	0.007	0.003	84.570	0.000	0.000	0.000	0.000	0.000	0.000
592	B	2279	LEU	0	-0.016	0.001	79.201	0.000	0.000	0.000	0.000	0.000	0.000
593	B	2280	VAL	0	0.027	0.015	82.298	0.000	0.000	0.000	0.000	0.000	0.000
594	B	2281	LEU	0	-0.023	-0.001	76.363	0.000	0.000	0.000	0.000	0.000	0.000
595	B	2282	VAL	0	0.029	0.003	79.500	0.000	0.000	0.000	0.000	0.000	0.000
596	B	2283	PRO	0	-0.016	0.009	76.200	-0.001	-0.001	0.000	0.000	0.000	0.000
597	B	2284	LEU	0	0.040	0.008	76.473	0.000	0.000	0.000	0.000	0.000	0.000
598	B	2285	LEU	0	0.012	0.004	73.399	0.000	0.000	0.000	0.000	0.000	0.000
599	B	2286	ALA	0	-0.016	-0.021	73.842	-0.001	-0.001	0.000	0.000	0.000	0.000
600	B	2287	ASN	0	0.045	0.015	74.545	-0.001	-0.001	0.000	0.000	0.000	0.000
601	B	2288	ASN	0	-0.081	-0.040	70.591	0.000	0.000	0.000	0.000	0.000	0.000
602	B	2289	ARG	1	0.936	0.977	69.851	0.009	0.009	0.000	0.000	0.000	0.000
603	B	2290	GLU	-1	-0.865	-0.934	66.700	-0.013	-0.013	0.000	0.000	0.000	0.000
604	B	2291	ARG	1	0.873	0.944	64.620	0.005	0.005	0.000	0.000	0.000	0.000
605	B	2292	ARG	1	0.855	0.925	55.939	0.016	0.016	0.000	0.000	0.000	0.000
606	B	2293	GLY	0	-0.016	-0.017	62.563	0.001	0.001	0.000	0.000	0.000	0.000
607	B	2294	ILE	0	-0.038	0.001	63.167	0.001	0.001	0.000	0.000	0.000	0.000
608	B	2295	ALA	0	0.051	0.032	66.942	-0.001	-0.001	0.000	0.000	0.000	0.000
609	B	2296	LEU	0	-0.040	-0.038	68.563	0.000	0.000	0.000	0.000	0.000	0.000
610	B	2297	ASP	-1	-0.717	-0.846	71.581	-0.003	-0.003	0.000	0.000	0.000	0.000
611	B	2298	GLY	0	-0.023	-0.012	72.457	-0.001	-0.001	0.000	0.000	0.000	0.000
612	B	2299	LYS	1	0.926	0.973	71.251	0.011	0.011	0.000	0.000	0.000	0.000
613	B	2300	ILE	0	0.013	0.023	74.258	0.000	0.000	0.000	0.000	0.000	0.000
614	B	2301	LYS	1	0.915	0.927	74.604	0.012	0.012	0.000	0.000	0.000	0.000
615	B	2302	HIS	0	-0.022	-0.015	69.936	0.000	0.000	0.000	0.000	0.000	0.000
616	B	2303	GLU	-1	-0.896	-0.927	74.031	-0.009	-0.009	0.000	0.000	0.000	0.000
617	B	2304	ASP	-1	-0.900	-0.967	75.829	-0.009	-0.009	0.000	0.000	0.000	0.000
618	B	2305	THR	0	-0.031	-0.011	73.968	0.000	0.000	0.000	0.000	0.000	0.000
619	B	2306	ASN	0	0.004	-0.003	77.006	-0.001	-0.001	0.000	0.000	0.000	0.000
620	B	2307	LEU	0	-0.031	-0.034	72.721	0.000	0.000	0.000	0.000	0.000	0.000
621	B	2308	ALA	0	0.020	0.020	71.734	0.000	0.000	0.000	0.000	0.000	0.000
622	B	2309	SER	0	0.023	0.011	73.769	0.001	0.001	0.000	0.000	0.000	0.000
623	B	2310	SER	0	-0.048	-0.026	74.517	0.000	0.000	0.000	0.000	0.000	0.000
624	B	2311	THR	0	-0.010	0.004	72.419	0.000	0.000	0.000	0.000	0.000	0.000
625	B	2312	ILE	0	0.000	0.007	74.699	0.001	0.001	0.000	0.000	0.000	0.000
626	B	2313	ILE	0	-0.015	-0.012	71.363	-0.001	-0.001	0.000	0.000	0.000	0.000
627	B	2314	LYS	1	0.897	0.961	75.671	-0.004	-0.004	0.000	0.000	0.000	0.000
628	B	2315	GLU	-1	-0.936	-0.977	76.598	0.007	0.007	0.000	0.000	0.000	0.000
629	B	2316	GLY	0	-0.025	-0.008	75.973	0.000	0.000	0.000	0.000	0.000	0.000
630	B	2317	ILE	0	-0.026	-0.005	72.552	0.000	0.000	0.000	0.000	0.000	0.000
631	B	2318	ASP	-1	-0.894	-0.942	72.903	0.008	0.008	0.000	0.000	0.000	0.000
632	B	2319	ARG	1	0.848	0.926	69.542	-0.003	-0.003	0.000	0.000	0.000	0.000
633	B	2320	THR	0	0.021	0.014	64.762	0.000	0.000	0.000	0.000	0.000	0.000
634	B	2321	VAL	0	0.016	0.008	68.162	-0.001	-0.001	0.000	0.000	0.000	0.000
635	B	2322	MET	0	-0.029	-0.007	63.908	0.000	0.000	0.000	0.000	0.000	0.000
636	B	2323	GLY	0	0.024	-0.015	64.934	-0.001	-0.001	0.000	0.000	0.000	0.000
637	B	2324	ILE	0	-0.070	-0.039	64.664	0.001	0.001	0.000	0.000	0.000	0.000
638	B	2325	LEU	0	-0.001	0.020	66.785	0.000	0.000	0.000	0.000	0.000	0.000
639	B	2326	VAL	0	-0.013	-0.011	68.005	0.000	0.000	0.000	0.000	0.000	0.000
640	B	2327	SER	0	0.014	-0.001	70.413	0.000	0.000	0.000	0.000	0.000	0.000
641	B	2328	TYR	0	-0.033	-0.029	71.080	0.000	0.000	0.000	0.000	0.000	0.000
642	B	2329	HIS	0	0.028	0.015	68.641	0.001	0.001	0.000	0.000	0.000	0.000
643	B	2330	ILE	0	-0.018	0.001	73.281	-0.001	-0.001	0.000	0.000	0.000	0.000
644	B	2331	LYS	1	0.917	0.970	67.080	-0.006	-0.006	0.000	0.000	0.000	0.000
645	B	2332	VAL	0	-0.003	0.006	72.784	-0.001	-0.001	0.000	0.000	0.000	0.000
646	B	2333	LYS	1	0.932	0.942	66.849	-0.003	-0.003	0.000	0.000	0.000	0.000
647	B	2334	LEU	0	0.015	0.002	71.929	-0.001	-0.001	0.000	0.000	0.000	0.000
648	B	2335	THR	0	0.018	0.020	68.887	0.000	0.000	0.000	0.000	0.000	0.000
649	B	2336	VAL	0	0.019	0.013	70.357	0.000	0.000	0.000	0.000	0.000	0.000
650	B	2337	SER	0	-0.092	-0.061	70.121	0.000	0.000	0.000	0.000	0.000	0.000
651	B	2338	GLY	0	0.055	0.030	69.848	0.000	0.000	0.000	0.000	0.000	0.000
652	B	2339	PHE	0	0.141	0.074	68.959	-0.001	-0.001	0.000	0.000	0.000	0.000
653	B	2340	LEU	0	-0.041	-0.036	68.290	0.000	0.000	0.000	0.000	0.000	0.000
654	B	2341	GLY	0	0.014	-0.001	67.849	-0.001	-0.001	0.000	0.000	0.000	0.000
655	B	2342	GLU	-1	-0.887	-0.965	64.266	0.016	0.016	0.000	0.000	0.000	0.000
656	B	2343	LEU	0	-0.090	-0.028	63.555	0.000	0.000	0.000	0.000	0.000	0.000
657	B	2344	THR	0	-0.050	-0.010	61.740	-0.002	-0.002	0.000	0.000	0.000	0.000
658	B	2345	SER	0	-0.028	-0.020	64.159	0.000	0.000	0.000	0.000	0.000	0.000
659	B	2346	SER	0	0.000	0.005	65.397	0.000	0.000	0.000	0.000	0.000	0.000
660	B	2347	GLU	-1	-0.959	-0.982	65.489	0.006	0.006	0.000	0.000	0.000	0.000
661	B	2348	VAL	0	0.009	0.028	67.070	0.000	0.000	0.000	0.000	0.000	0.000
662	B	2349	ALA	0	-0.026	-0.038	68.759	-0.001	-0.001	0.000	0.000	0.000	0.000
663	B	2350	THR	0	0.034	0.027	70.306	0.001	0.001	0.000	0.000	0.000	0.000
664	B	2351	GLU	-1	-0.944	-0.978	68.229	0.007	0.007	0.000	0.000	0.000	0.000
665	B	2352	VAL	0	0.006	0.009	73.004	0.001	0.001	0.000	0.000	0.000	0.000
666	B	2353	PRO	0	0.013	0.000	74.302	-0.001	-0.001	0.000	0.000	0.000	0.000
667	B	2354	PHE	0	0.022	0.015	75.840	0.000	0.000	0.000	0.000	0.000	0.000
668	B	2355	ARG	1	0.909	0.961	76.838	-0.004	-0.004	0.000	0.000	0.000	0.000
669	B	2356	LEU	0	0.018	0.012	76.932	0.000	0.000	0.000	0.000	0.000	0.000
670	B	2357	MET	0	-0.038	-0.018	78.395	0.000	0.000	0.000	0.000	0.000	0.000
671	B	2358	HIS	0	0.008	0.005	79.806	0.000	0.000	0.000	0.000	0.000	0.000
672	B	2359	PRO	0	0.029	0.010	83.559	0.000	0.000	0.000	0.000	0.000	0.000
673	B	2360	GLN	0	0.037	0.019	87.283	0.000	0.000	0.000	0.000	0.000	0.000
674	B	2361	PRO	0	-0.042	-0.009	88.304	0.000	0.000	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(B:1:MET)