FMO DATABASE

FMODB ID: YZV92

Calculation Name: 1FX0-B-Xray372

Preferred Name: Chloroplast coupling factor 1

Target Type: PROTEIN COMPLEX

Ligand Name:

ligand 3-letter code:

PDB ID: 1FX0

Chain ID: B

ChEMBL ID: CHEMBL2366567

UniProt ID: P06450

Base Structure: X-ray

Registration Date: 2023-06-22

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

DOI:

IFIE MAP

IFIE Diagram

Modeling method

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

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	467
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-8192854.075431
FMO2-HF: Nuclear repulsion	8016286.518802
FMO2-HF: Total energy	-176567.55663
FMO2-MP2: Total energy	-177083.199811

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:19:ASN)

Summations of interaction energy for fragment #1(B:19:ASN)

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.
-36.212	-29.007	22.957	-12.118	-18.043	-0.005

Interaction energy analysis for fragmet #1(B:19:ASN)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.013 / q_NPA : -0.002

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	21	GLY	0	0.041	0.019	3.808	0.242	1.846	-0.007	-0.795	-0.802	0.000
4	B	22	ARG	1	0.800	0.883	5.521	-0.103	-0.103	0.000	0.000	0.000	0.000
5	B	23	ILE	0	0.025	0.032	9.291	-0.005	-0.005	0.000	0.000	0.000	0.000
6	B	24	ALA	0	-0.003	-0.005	12.142	0.078	0.078	0.000	0.000	0.000	0.000
7	B	25	GLN	0	-0.066	-0.059	14.241	0.018	0.018	0.000	0.000	0.000	0.000
8	B	26	ILE	0	0.030	0.018	15.651	-0.049	-0.049	0.000	0.000	0.000	0.000
9	B	27	ILE	0	-0.009	0.001	18.107	0.035	0.035	0.000	0.000	0.000	0.000
10	B	28	GLY	0	0.079	0.043	20.854	-0.014	-0.014	0.000	0.000	0.000	0.000
11	B	29	PRO	0	0.044	0.028	19.307	-0.009	-0.009	0.000	0.000	0.000	0.000
12	B	30	VAL	0	0.005	0.022	16.829	-0.056	-0.056	0.000	0.000	0.000	0.000
13	B	31	LEU	0	-0.005	-0.007	12.688	0.051	0.051	0.000	0.000	0.000	0.000
14	B	32	ASN	0	0.014	0.020	12.905	-0.046	-0.046	0.000	0.000	0.000	0.000
15	B	33	VAL	0	0.021	0.013	6.860	0.090	0.090	0.000	0.000	0.000	0.000
16	B	34	ALA	0	-0.002	-0.003	9.056	-0.032	-0.032	0.000	0.000	0.000	0.000
17	B	35	PHE	0	0.048	0.026	2.605	-1.491	-0.709	1.148	-0.466	-1.464	-0.004
18	B	36	PRO	0	0.018	0.011	4.599	-0.250	-0.191	-0.001	-0.003	-0.053	0.000
19	B	37	PRO	0	0.016	-0.011	7.037	0.348	0.348	0.000	0.000	0.000	0.000
20	B	38	GLY	0	-0.006	0.012	7.611	-0.426	-0.426	0.000	0.000	0.000	0.000
21	B	39	LYN	0	-0.063	-0.017	2.111	-6.316	-2.997	4.193	-2.484	-5.029	0.017
22	B	40	MET	0	-0.018	-0.021	4.148	-1.712	-1.561	0.000	-0.028	-0.123	0.000
23	B	41	PRO	0	0.007	0.031	3.337	-1.321	-0.847	0.006	-0.096	-0.384	0.000
24	B	42	ASN	0	-0.010	-0.020	4.260	1.654	1.741	-0.001	-0.019	-0.068	0.000
25	B	43	ILE	0	-0.002	-0.009	7.589	-0.029	-0.029	0.000	0.000	0.000	0.000
26	B	44	TYR	0	-0.017	-0.019	10.727	0.035	0.035	0.000	0.000	0.000	0.000
27	B	45	ASN	0	-0.012	-0.006	4.596	1.119	1.170	-0.001	-0.001	-0.048	0.000
28	B	46	ALA	0	-0.025	-0.010	8.206	0.207	0.207	0.000	0.000	0.000	0.000
29	B	47	LEU	0	-0.041	-0.024	4.662	-0.408	-0.328	-0.001	-0.004	-0.075	0.000
30	B	48	ILE	0	0.029	0.015	7.228	0.085	0.085	0.000	0.000	0.000	0.000
31	B	49	VAL	0	-0.015	-0.015	8.159	0.058	0.058	0.000	0.000	0.000	0.000
32	B	50	LYS	1	0.848	0.902	7.583	0.599	0.599	0.000	0.000	0.000	0.000
33	B	51	GLY	0	0.023	0.021	11.801	0.031	0.031	0.000	0.000	0.000	0.000
34	B	52	ARG	1	0.774	0.849	15.631	0.211	0.211	0.000	0.000	0.000	0.000
35	B	53	ASP	-1	-0.806	-0.884	18.769	-0.201	-0.201	0.000	0.000	0.000	0.000
36	B	54	THR	0	0.001	-0.022	22.145	0.006	0.006	0.000	0.000	0.000	0.000
37	B	55	ALA	0	-0.020	0.003	24.546	0.004	0.004	0.000	0.000	0.000	0.000
38	B	56	GLY	0	0.040	0.029	22.050	0.008	0.008	0.000	0.000	0.000	0.000
39	B	57	GLN	0	-0.046	-0.026	16.736	0.002	0.002	0.000	0.000	0.000	0.000
40	B	58	PRO	0	0.010	0.025	16.893	-0.013	-0.013	0.000	0.000	0.000	0.000
41	B	59	MET	0	-0.015	-0.014	10.881	-0.021	-0.021	0.000	0.000	0.000	0.000
42	B	60	ASN	0	0.056	0.023	13.782	-0.044	-0.044	0.000	0.000	0.000	0.000
43	B	61	VAL	0	-0.010	0.021	13.645	-0.015	-0.015	0.000	0.000	0.000	0.000
44	B	62	THR	0	0.070	0.030	11.805	-0.054	-0.054	0.000	0.000	0.000	0.000
45	B	63	CYS	0	-0.080	-0.031	10.595	0.096	0.096	0.000	0.000	0.000	0.000
46	B	64	GLU	-1	-0.719	-0.799	10.980	-0.871	-0.871	0.000	0.000	0.000	0.000
47	B	65	VAL	0	-0.017	-0.005	7.128	0.202	0.202	0.000	0.000	0.000	0.000
48	B	66	GLN	0	-0.001	-0.033	10.490	0.085	0.085	0.000	0.000	0.000	0.000
49	B	67	GLN	0	0.005	0.000	12.697	0.081	0.081	0.000	0.000	0.000	0.000
50	B	68	LEU	0	0.047	0.022	9.076	-0.079	-0.079	0.000	0.000	0.000	0.000
51	B	69	LEU	0	-0.049	-0.020	12.338	0.097	0.097	0.000	0.000	0.000	0.000
52	B	70	GLY	0	0.065	0.045	13.923	0.069	0.069	0.000	0.000	0.000	0.000
53	B	71	ASN	0	-0.020	-0.033	13.884	0.026	0.026	0.000	0.000	0.000	0.000
54	B	72	ASN	0	0.033	0.018	10.110	-0.029	-0.029	0.000	0.000	0.000	0.000
55	B	73	ARG	1	0.878	0.936	9.930	0.008	0.008	0.000	0.000	0.000	0.000
56	B	74	VAL	0	0.023	0.029	7.626	-0.003	-0.003	0.000	0.000	0.000	0.000
57	B	75	ARG	1	0.800	0.887	10.732	0.410	0.410	0.000	0.000	0.000	0.000
58	B	76	ALA	0	0.025	0.007	10.787	-0.122	-0.122	0.000	0.000	0.000	0.000
59	B	77	VAL	0	0.012	0.021	12.956	0.114	0.114	0.000	0.000	0.000	0.000
60	B	78	ALA	0	0.017	-0.004	14.633	-0.072	-0.072	0.000	0.000	0.000	0.000
61	B	79	MET	0	-0.058	-0.032	14.803	0.014	0.014	0.000	0.000	0.000	0.000
62	B	80	SER	0	0.013	-0.003	17.374	0.036	0.036	0.000	0.000	0.000	0.000
63	B	81	ALA	0	0.002	-0.004	18.875	-0.008	-0.008	0.000	0.000	0.000	0.000
64	B	82	THR	0	-0.028	-0.038	17.171	-0.008	-0.008	0.000	0.000	0.000	0.000
65	B	83	ASP	-1	-0.840	-0.905	19.528	-0.198	-0.198	0.000	0.000	0.000	0.000
66	B	84	GLY	0	0.042	0.020	21.635	-0.006	-0.006	0.000	0.000	0.000	0.000
67	B	85	LEU	0	-0.053	-0.017	15.169	0.005	0.005	0.000	0.000	0.000	0.000
68	B	86	THR	0	0.005	-0.001	17.179	0.026	0.026	0.000	0.000	0.000	0.000
69	B	87	ARG	1	0.940	0.957	15.655	0.054	0.054	0.000	0.000	0.000	0.000
70	B	88	GLY	0	-0.027	-0.014	13.577	0.023	0.023	0.000	0.000	0.000	0.000
71	B	89	MET	0	-0.012	0.009	12.889	0.023	0.023	0.000	0.000	0.000	0.000
72	B	90	GLU	-1	-0.808	-0.885	8.498	-0.188	-0.188	0.000	0.000	0.000	0.000
73	B	91	VAL	0	-0.029	-0.017	6.029	-0.001	-0.001	0.000	0.000	0.000	0.000
74	B	92	ILE	0	-0.015	-0.001	2.129	-1.783	-1.002	1.752	-1.025	-1.508	0.004
75	B	93	ASP	-1	-0.794	-0.905	2.026	-25.580	-26.833	14.984	-6.688	-7.043	-0.014
76	B	94	THR	0	-0.030	-0.015	2.842	-1.183	-0.231	0.886	-0.502	-1.336	-0.008
77	B	95	GLY	0	-0.017	-0.004	4.669	0.050	0.168	-0.001	-0.007	-0.110	0.000
78	B	96	ALA	0	0.001	0.002	5.541	0.561	0.561	0.000	0.000	0.000	0.000
79	B	97	PRO	0	0.019	0.012	8.505	-0.118	-0.118	0.000	0.000	0.000	0.000
80	B	98	LEU	0	0.021	0.005	11.006	0.052	0.052	0.000	0.000	0.000	0.000
81	B	99	SER	0	-0.034	-0.018	13.092	0.051	0.051	0.000	0.000	0.000	0.000
82	B	100	VAL	0	0.058	0.046	15.090	0.032	0.032	0.000	0.000	0.000	0.000
83	B	101	PRO	0	0.015	0.018	18.585	-0.004	-0.004	0.000	0.000	0.000	0.000
84	B	102	VAL	0	-0.016	-0.017	20.595	0.016	0.016	0.000	0.000	0.000	0.000
85	B	103	GLY	0	0.053	0.018	23.681	0.009	0.009	0.000	0.000	0.000	0.000
86	B	104	GLY	0	0.054	0.028	27.135	0.001	0.001	0.000	0.000	0.000	0.000
87	B	105	PRO	0	-0.030	-0.015	26.892	0.004	0.004	0.000	0.000	0.000	0.000
88	B	106	THR	0	-0.040	-0.025	25.658	-0.004	-0.004	0.000	0.000	0.000	0.000
89	B	107	LEU	0	-0.023	-0.016	28.401	0.000	0.000	0.000	0.000	0.000	0.000
90	B	108	GLY	0	0.006	0.003	32.236	0.003	0.003	0.000	0.000	0.000	0.000
91	B	109	ARG	1	0.696	0.808	27.757	0.191	0.191	0.000	0.000	0.000	0.000
92	B	110	ILE	0	-0.002	-0.003	28.458	-0.001	-0.001	0.000	0.000	0.000	0.000
93	B	111	PHE	0	-0.040	-0.014	23.395	-0.005	-0.005	0.000	0.000	0.000	0.000
94	B	112	ASN	0	0.040	0.010	20.388	0.012	0.012	0.000	0.000	0.000	0.000
95	B	113	VAL	0	-0.006	-0.020	19.615	-0.014	-0.014	0.000	0.000	0.000	0.000
96	B	114	LEU	0	-0.065	-0.027	15.535	-0.041	-0.041	0.000	0.000	0.000	0.000
97	B	115	GLY	0	-0.001	-0.001	17.717	-0.022	-0.022	0.000	0.000	0.000	0.000
98	B	116	GLU	-1	-0.875	-0.928	18.193	-0.344	-0.344	0.000	0.000	0.000	0.000
99	B	117	PRO	0	-0.001	0.002	21.212	0.004	0.004	0.000	0.000	0.000	0.000
100	B	118	VAL	0	-0.017	-0.022	24.938	0.000	0.000	0.000	0.000	0.000	0.000
101	B	119	ASP	-1	-0.719	-0.825	27.300	-0.177	-0.177	0.000	0.000	0.000	0.000
102	B	120	ASN	0	-0.041	-0.023	29.027	0.004	0.004	0.000	0.000	0.000	0.000
103	B	121	LEU	0	-0.024	0.001	30.078	0.010	0.010	0.000	0.000	0.000	0.000
104	B	122	ARG	1	0.931	0.964	28.404	0.126	0.126	0.000	0.000	0.000	0.000
105	B	123	PRO	0	0.030	0.011	23.350	-0.009	-0.009	0.000	0.000	0.000	0.000
106	B	124	VAL	0	0.045	0.030	23.595	0.012	0.012	0.000	0.000	0.000	0.000
107	B	125	ASP	-1	-0.907	-0.930	23.503	-0.195	-0.195	0.000	0.000	0.000	0.000
108	B	126	THR	0	-0.058	-0.035	21.979	0.002	0.002	0.000	0.000	0.000	0.000
109	B	127	ARG	1	0.937	0.961	23.030	0.162	0.162	0.000	0.000	0.000	0.000
110	B	128	THR	0	-0.014	-0.012	19.499	0.007	0.007	0.000	0.000	0.000	0.000
111	B	129	THR	0	0.000	0.018	15.471	0.020	0.020	0.000	0.000	0.000	0.000
112	B	130	SER	0	0.030	0.018	18.561	0.023	0.023	0.000	0.000	0.000	0.000
113	B	131	PRO	0	-0.025	0.001	14.622	-0.019	-0.019	0.000	0.000	0.000	0.000
114	B	132	ILE	0	0.025	0.000	15.755	0.056	0.056	0.000	0.000	0.000	0.000
115	B	133	HIS	0	-0.057	-0.024	14.138	0.087	0.087	0.000	0.000	0.000	0.000
116	B	134	ARG	1	0.915	0.950	17.000	0.348	0.348	0.000	0.000	0.000	0.000
117	B	135	SER	0	0.010	0.006	19.653	-0.002	-0.002	0.000	0.000	0.000	0.000
118	B	136	ALA	0	0.013	0.005	22.130	0.004	0.004	0.000	0.000	0.000	0.000
119	B	137	PRO	0	0.007	0.005	25.716	-0.004	-0.004	0.000	0.000	0.000	0.000
120	B	138	ALA	0	0.024	0.016	28.327	0.004	0.004	0.000	0.000	0.000	0.000
121	B	139	PHE	0	0.042	0.007	29.572	0.009	0.009	0.000	0.000	0.000	0.000
122	B	140	THR	0	-0.026	-0.026	33.022	0.005	0.005	0.000	0.000	0.000	0.000
123	B	141	GLN	0	-0.036	-0.027	28.702	-0.002	-0.002	0.000	0.000	0.000	0.000
124	B	142	LEU	0	0.037	0.039	32.215	-0.001	-0.001	0.000	0.000	0.000	0.000
125	B	143	ASP	-1	-0.800	-0.895	35.372	-0.107	-0.107	0.000	0.000	0.000	0.000
126	B	144	THR	0	-0.008	-0.011	38.867	-0.002	-0.002	0.000	0.000	0.000	0.000
127	B	145	LYS	1	0.872	0.930	40.457	0.119	0.119	0.000	0.000	0.000	0.000
128	B	146	LEU	0	0.009	0.019	43.558	-0.003	-0.003	0.000	0.000	0.000	0.000
129	B	147	SER	0	0.021	0.009	44.837	0.005	0.005	0.000	0.000	0.000	0.000
130	B	148	ILE	0	0.025	0.011	45.388	-0.005	-0.005	0.000	0.000	0.000	0.000
131	B	149	PHE	0	-0.005	-0.014	41.735	-0.001	-0.001	0.000	0.000	0.000	0.000
132	B	150	GLU	-1	-0.857	-0.921	46.456	-0.078	-0.078	0.000	0.000	0.000	0.000
133	B	151	THR	0	-0.021	-0.018	45.849	-0.002	-0.002	0.000	0.000	0.000	0.000
134	B	152	GLY	0	0.026	0.034	48.376	-0.001	-0.001	0.000	0.000	0.000	0.000
135	B	153	ILE	0	-0.007	0.012	47.968	0.002	0.002	0.000	0.000	0.000	0.000
136	B	154	LYS	1	0.877	0.934	52.042	0.064	0.064	0.000	0.000	0.000	0.000
137	B	155	VAL	0	0.031	0.011	51.436	0.001	0.001	0.000	0.000	0.000	0.000
138	B	156	VAL	0	0.004	0.006	47.015	0.000	0.000	0.000	0.000	0.000	0.000
139	B	157	ASN	0	0.019	-0.005	48.885	0.001	0.001	0.000	0.000	0.000	0.000
140	B	158	LEU	0	0.054	0.030	51.402	0.000	0.000	0.000	0.000	0.000	0.000
141	B	159	LEU	0	-0.026	-0.017	52.377	0.001	0.001	0.000	0.000	0.000	0.000
142	B	160	ALA	0	-0.023	-0.013	47.063	-0.001	-0.001	0.000	0.000	0.000	0.000
143	B	161	PRO	0	-0.002	0.017	47.203	-0.004	-0.004	0.000	0.000	0.000	0.000
144	B	162	TYR	0	0.047	0.021	43.261	-0.004	-0.004	0.000	0.000	0.000	0.000
145	B	163	ARG	1	0.867	0.890	42.201	0.111	0.111	0.000	0.000	0.000	0.000
146	B	164	ARG	1	0.899	0.943	41.159	0.096	0.096	0.000	0.000	0.000	0.000
147	B	165	GLY	0	-0.016	-0.010	37.268	0.002	0.002	0.000	0.000	0.000	0.000
148	B	166	GLY	0	0.039	0.028	36.604	-0.007	-0.007	0.000	0.000	0.000	0.000
149	B	167	LYS	1	0.772	0.881	32.119	0.189	0.189	0.000	0.000	0.000	0.000
150	B	168	ILE	0	0.003	0.012	37.176	0.007	0.007	0.000	0.000	0.000	0.000
151	B	169	GLY	0	0.046	0.023	38.129	-0.007	-0.007	0.000	0.000	0.000	0.000
152	B	170	LEU	0	-0.019	-0.017	39.121	0.008	0.008	0.000	0.000	0.000	0.000
153	B	171	PHE	0	0.042	0.015	38.112	-0.005	-0.005	0.000	0.000	0.000	0.000
154	B	172	GLY	0	0.093	0.039	41.168	0.006	0.006	0.000	0.000	0.000	0.000
155	B	173	GLY	0	0.057	0.042	41.426	-0.006	-0.006	0.000	0.000	0.000	0.000
156	B	174	ALA	0	-0.045	-0.024	41.615	-0.004	-0.004	0.000	0.000	0.000	0.000
157	B	175	GLY	0	-0.011	-0.003	42.466	0.005	0.005	0.000	0.000	0.000	0.000
158	B	176	VAL	0	0.012	0.003	44.102	0.004	0.004	0.000	0.000	0.000	0.000
159	B	177	GLY	0	0.075	0.029	44.869	0.003	0.003	0.000	0.000	0.000	0.000
160	B	178	LYS	1	0.805	0.923	38.742	0.128	0.128	0.000	0.000	0.000	0.000
161	B	179	THR	0	0.028	-0.002	39.066	0.001	0.001	0.000	0.000	0.000	0.000
162	B	180	VAL	0	0.009	0.000	41.174	-0.001	-0.001	0.000	0.000	0.000	0.000
163	B	181	LEU	0	0.018	0.021	43.704	0.002	0.002	0.000	0.000	0.000	0.000
164	B	182	ILE	0	-0.015	-0.012	37.528	0.000	0.000	0.000	0.000	0.000	0.000
165	B	183	MET	0	-0.009	-0.001	39.804	-0.001	-0.001	0.000	0.000	0.000	0.000
166	B	184	GLU	-1	-0.721	-0.857	42.607	-0.089	-0.089	0.000	0.000	0.000	0.000
167	B	185	LEU	0	-0.037	-0.015	42.274	0.002	0.002	0.000	0.000	0.000	0.000
168	B	186	ILE	0	-0.016	-0.018	38.111	-0.001	-0.001	0.000	0.000	0.000	0.000
169	B	187	ASN	0	-0.057	-0.041	42.092	0.001	0.001	0.000	0.000	0.000	0.000
170	B	188	ASN	0	-0.013	-0.022	45.619	0.003	0.003	0.000	0.000	0.000	0.000
171	B	189	ILE	0	-0.025	0.003	43.335	0.002	0.002	0.000	0.000	0.000	0.000
172	B	190	ALA	0	-0.006	-0.006	39.860	0.000	0.000	0.000	0.000	0.000	0.000
173	B	191	LYS	1	0.855	0.940	41.776	0.101	0.101	0.000	0.000	0.000	0.000
174	B	192	ALA	0	-0.012	0.000	44.206	0.003	0.003	0.000	0.000	0.000	0.000
175	B	193	HIS	0	-0.065	-0.024	39.004	0.009	0.009	0.000	0.000	0.000	0.000
176	B	194	GLY	0	0.012	0.013	43.079	0.000	0.000	0.000	0.000	0.000	0.000
177	B	195	GLY	0	0.013	0.014	38.894	0.001	0.001	0.000	0.000	0.000	0.000
178	B	196	VAL	0	0.002	0.004	32.994	0.003	0.003	0.000	0.000	0.000	0.000
179	B	197	SER	0	-0.012	-0.009	35.627	0.002	0.002	0.000	0.000	0.000	0.000
180	B	198	VAL	0	-0.024	-0.015	29.260	-0.004	-0.004	0.000	0.000	0.000	0.000
181	B	199	PHE	0	0.006	0.006	32.156	0.006	0.006	0.000	0.000	0.000	0.000
182	B	200	GLY	0	0.023	0.004	29.403	-0.012	-0.012	0.000	0.000	0.000	0.000
183	B	201	GLY	0	0.008	-0.001	30.091	0.010	0.010	0.000	0.000	0.000	0.000
184	B	202	VAL	0	-0.017	-0.015	27.248	-0.017	-0.017	0.000	0.000	0.000	0.000
185	B	203	GLY	0	0.034	0.004	29.358	0.008	0.008	0.000	0.000	0.000	0.000
186	B	204	GLU	-1	-0.708	-0.840	30.500	-0.142	-0.142	0.000	0.000	0.000	0.000
187	B	205	ARG	1	0.830	0.881	33.415	0.128	0.128	0.000	0.000	0.000	0.000
188	B	206	THR	0	0.032	0.008	32.967	-0.001	-0.001	0.000	0.000	0.000	0.000
189	B	207	ARG	1	0.804	0.886	35.019	0.115	0.115	0.000	0.000	0.000	0.000
190	B	208	GLU	-1	-0.739	-0.846	37.226	-0.128	-0.128	0.000	0.000	0.000	0.000
191	B	209	GLY	0	-0.002	0.010	34.568	-0.006	-0.006	0.000	0.000	0.000	0.000
192	B	210	ASN	0	-0.073	-0.055	35.472	0.002	0.002	0.000	0.000	0.000	0.000
193	B	211	ASP	-1	-0.767	-0.864	37.898	-0.112	-0.112	0.000	0.000	0.000	0.000
194	B	212	LEU	0	0.023	0.018	36.316	0.003	0.003	0.000	0.000	0.000	0.000
195	B	213	TYR	0	0.016	-0.002	34.063	0.004	0.004	0.000	0.000	0.000	0.000
196	B	214	MET	0	-0.026	-0.010	37.883	0.003	0.003	0.000	0.000	0.000	0.000
197	B	215	GLU	-1	-0.835	-0.926	41.240	-0.101	-0.101	0.000	0.000	0.000	0.000
198	B	216	MET	0	-0.075	-0.019	39.240	0.005	0.005	0.000	0.000	0.000	0.000
199	B	217	LYS	1	0.873	0.950	36.601	0.124	0.124	0.000	0.000	0.000	0.000
200	B	218	GLU	-1	-0.916	-0.957	41.840	-0.086	-0.086	0.000	0.000	0.000	0.000
201	B	219	SER	0	-0.076	-0.061	44.391	0.003	0.003	0.000	0.000	0.000	0.000
202	B	220	GLY	0	0.050	0.028	43.490	-0.001	-0.001	0.000	0.000	0.000	0.000
203	B	221	VAL	0	-0.027	-0.008	39.446	-0.002	-0.002	0.000	0.000	0.000	0.000
204	B	222	ILE	0	-0.070	-0.034	35.504	-0.009	-0.009	0.000	0.000	0.000	0.000
205	B	223	ASN	0	0.033	0.007	35.577	0.007	0.007	0.000	0.000	0.000	0.000
206	B	224	GLU	-1	-0.891	-0.923	38.898	-0.090	-0.090	0.000	0.000	0.000	0.000
207	B	225	GLN	0	-0.011	-0.011	40.815	0.003	0.003	0.000	0.000	0.000	0.000
208	B	226	ASN	0	-0.073	-0.030	35.593	-0.007	-0.007	0.000	0.000	0.000	0.000
209	B	227	ILE	0	-0.002	-0.004	37.702	-0.001	-0.001	0.000	0.000	0.000	0.000
210	B	228	ALA	0	-0.070	-0.038	35.284	-0.001	-0.001	0.000	0.000	0.000	0.000
211	B	229	GLU	-1	-0.908	-0.954	37.062	-0.100	-0.100	0.000	0.000	0.000	0.000
212	B	230	SER	0	-0.011	-0.016	35.742	-0.001	-0.001	0.000	0.000	0.000	0.000
213	B	231	LYS	1	0.855	0.923	36.880	0.112	0.112	0.000	0.000	0.000	0.000
214	B	232	VAL	0	0.023	0.008	34.987	-0.005	-0.005	0.000	0.000	0.000	0.000
215	B	233	ALA	0	0.019	0.025	29.758	0.000	0.000	0.000	0.000	0.000	0.000
216	B	234	LEU	0	0.001	-0.001	30.698	0.000	0.000	0.000	0.000	0.000	0.000
217	B	235	VAL	0	-0.003	-0.003	25.164	-0.012	-0.012	0.000	0.000	0.000	0.000
218	B	236	TYR	0	-0.028	-0.014	27.342	0.009	0.009	0.000	0.000	0.000	0.000
219	B	237	GLY	0	0.014	0.008	26.189	-0.013	-0.013	0.000	0.000	0.000	0.000
220	B	238	GLN	0	0.016	0.004	27.013	-0.008	-0.008	0.000	0.000	0.000	0.000
221	B	239	MET	0	-0.052	-0.030	28.811	-0.007	-0.007	0.000	0.000	0.000	0.000
222	B	240	ASN	0	-0.067	-0.031	28.123	0.004	0.004	0.000	0.000	0.000	0.000
223	B	241	GLU	-1	-0.865	-0.906	24.535	-0.250	-0.250	0.000	0.000	0.000	0.000
224	B	242	PRO	0	0.032	0.010	21.310	0.007	0.007	0.000	0.000	0.000	0.000
225	B	243	PRO	0	0.029	0.016	21.940	-0.010	-0.010	0.000	0.000	0.000	0.000
226	B	244	GLY	0	0.006	-0.015	18.967	-0.011	-0.011	0.000	0.000	0.000	0.000
227	B	245	ALA	0	0.017	0.018	19.591	-0.031	-0.031	0.000	0.000	0.000	0.000
228	B	246	ARG	1	0.816	0.877	21.704	0.236	0.236	0.000	0.000	0.000	0.000
229	B	247	MET	0	-0.027	-0.001	18.943	0.006	0.006	0.000	0.000	0.000	0.000
230	B	248	ARG	1	0.780	0.855	16.903	0.529	0.529	0.000	0.000	0.000	0.000
231	B	249	VAL	0	0.076	0.043	21.127	-0.007	-0.007	0.000	0.000	0.000	0.000
232	B	250	GLY	0	0.036	0.020	23.770	0.013	0.013	0.000	0.000	0.000	0.000
233	B	251	LEU	0	-0.018	-0.003	19.379	0.009	0.009	0.000	0.000	0.000	0.000
234	B	252	THR	0	-0.025	0.002	20.864	-0.010	-0.010	0.000	0.000	0.000	0.000
235	B	253	ALA	0	0.045	0.015	22.472	0.010	0.010	0.000	0.000	0.000	0.000
236	B	254	LEU	0	-0.001	-0.001	24.530	0.014	0.014	0.000	0.000	0.000	0.000
237	B	255	THR	0	-0.034	-0.038	19.946	-0.003	-0.003	0.000	0.000	0.000	0.000
238	B	256	MET	0	-0.026	-0.011	23.269	0.001	0.001	0.000	0.000	0.000	0.000
239	B	257	ALA	0	0.017	0.009	25.796	0.017	0.017	0.000	0.000	0.000	0.000
240	B	258	GLU	-1	-0.785	-0.883	22.470	-0.361	-0.361	0.000	0.000	0.000	0.000
241	B	259	TYR	0	-0.018	-0.003	24.625	0.013	0.013	0.000	0.000	0.000	0.000
242	B	260	PHE	0	-0.012	-0.016	27.079	0.015	0.015	0.000	0.000	0.000	0.000
243	B	261	ARG	1	0.738	0.850	27.503	0.240	0.240	0.000	0.000	0.000	0.000
244	B	262	ASP	-1	-0.779	-0.865	28.338	-0.209	-0.209	0.000	0.000	0.000	0.000
245	B	263	VAL	0	-0.057	-0.024	26.282	0.004	0.004	0.000	0.000	0.000	0.000
246	B	264	ASN	0	-0.121	-0.075	29.745	0.006	0.006	0.000	0.000	0.000	0.000
247	B	265	GLU	-1	-0.901	-0.930	32.921	-0.122	-0.122	0.000	0.000	0.000	0.000
248	B	266	GLN	0	-0.018	0.004	34.084	0.013	0.013	0.000	0.000	0.000	0.000
249	B	267	ASP	-1	-0.860	-0.915	35.654	-0.136	-0.136	0.000	0.000	0.000	0.000
250	B	268	VAL	0	-0.026	0.000	32.458	0.003	0.003	0.000	0.000	0.000	0.000
251	B	269	LEU	0	-0.006	0.009	35.649	0.000	0.000	0.000	0.000	0.000	0.000
252	B	270	LEU	0	-0.002	-0.011	29.169	-0.008	-0.008	0.000	0.000	0.000	0.000
253	B	271	PHE	0	0.038	0.018	33.522	0.003	0.003	0.000	0.000	0.000	0.000
254	B	272	ILE	0	-0.002	-0.010	29.488	-0.011	-0.011	0.000	0.000	0.000	0.000
255	B	273	ASP	-1	-0.813	-0.891	33.111	-0.142	-0.142	0.000	0.000	0.000	0.000
256	B	274	ASN	0	-0.017	-0.029	33.578	-0.004	-0.004	0.000	0.000	0.000	0.000
257	B	275	ILE	0	0.043	0.023	28.308	-0.010	-0.010	0.000	0.000	0.000	0.000
258	B	276	PHE	0	0.026	0.011	30.049	-0.013	-0.013	0.000	0.000	0.000	0.000
259	B	277	ARG	1	0.783	0.880	29.928	0.161	0.161	0.000	0.000	0.000	0.000
260	B	278	PHE	0	-0.024	0.003	23.145	-0.009	-0.009	0.000	0.000	0.000	0.000
261	B	279	VAL	0	0.017	0.014	25.775	-0.018	-0.018	0.000	0.000	0.000	0.000
262	B	280	GLN	0	-0.022	-0.015	27.474	0.004	0.004	0.000	0.000	0.000	0.000
263	B	281	ALA	0	0.013	0.008	24.395	0.000	0.000	0.000	0.000	0.000	0.000
264	B	282	GLY	0	0.053	0.010	23.137	-0.020	-0.020	0.000	0.000	0.000	0.000
265	B	283	SER	0	-0.005	-0.009	24.081	-0.003	-0.003	0.000	0.000	0.000	0.000
266	B	284	GLU	-1	-0.850	-0.895	25.526	-0.227	-0.227	0.000	0.000	0.000	0.000
267	B	285	VAL	0	-0.011	-0.003	20.235	-0.001	-0.001	0.000	0.000	0.000	0.000
268	B	286	SER	0	0.021	0.014	22.022	-0.008	-0.008	0.000	0.000	0.000	0.000
269	B	287	ALA	0	0.035	0.011	23.205	-0.001	-0.001	0.000	0.000	0.000	0.000
270	B	288	LEU	0	-0.014	-0.004	21.477	0.008	0.008	0.000	0.000	0.000	0.000
271	B	289	LEU	0	-0.039	-0.022	16.974	-0.004	-0.004	0.000	0.000	0.000	0.000
272	B	290	GLY	0	-0.034	0.002	19.979	-0.005	-0.005	0.000	0.000	0.000	0.000
273	B	291	ARG	1	0.799	0.911	19.004	0.385	0.385	0.000	0.000	0.000	0.000
274	B	292	MET	0	0.004	-0.005	24.019	0.015	0.015	0.000	0.000	0.000	0.000
275	B	293	PRO	0	0.014	0.008	27.694	-0.012	-0.012	0.000	0.000	0.000	0.000
276	B	294	SER	0	0.001	0.008	29.773	0.012	0.012	0.000	0.000	0.000	0.000
277	B	295	ALA	0	0.013	0.000	32.009	0.007	0.007	0.000	0.000	0.000	0.000
278	B	296	VAL	0	0.011	-0.012	34.314	-0.007	-0.007	0.000	0.000	0.000	0.000
279	B	297	GLY	0	-0.021	0.002	32.962	-0.003	-0.003	0.000	0.000	0.000	0.000
280	B	298	TYR	0	-0.065	-0.048	30.207	-0.015	-0.015	0.000	0.000	0.000	0.000
281	B	299	GLN	0	-0.014	-0.026	25.248	0.025	0.025	0.000	0.000	0.000	0.000
282	B	300	PRO	0	-0.039	-0.016	25.181	0.007	0.007	0.000	0.000	0.000	0.000
283	B	301	THR	0	-0.048	-0.054	22.363	0.012	0.012	0.000	0.000	0.000	0.000
284	B	302	LEU	0	0.000	0.015	25.476	-0.018	-0.018	0.000	0.000	0.000	0.000
285	B	303	SER	0	0.059	0.019	27.748	-0.013	-0.013	0.000	0.000	0.000	0.000
286	B	304	THR	0	0.004	0.002	23.082	0.000	0.000	0.000	0.000	0.000	0.000
287	B	305	GLU	-1	-0.790	-0.854	21.904	-0.356	-0.356	0.000	0.000	0.000	0.000
288	B	306	MET	0	0.007	0.000	24.083	-0.009	-0.009	0.000	0.000	0.000	0.000
289	B	307	GLY	0	0.039	0.024	27.237	0.002	0.002	0.000	0.000	0.000	0.000
290	B	308	SER	0	-0.021	-0.036	22.604	0.002	0.002	0.000	0.000	0.000	0.000
291	B	309	LEU	0	-0.079	-0.036	20.931	-0.020	-0.020	0.000	0.000	0.000	0.000
292	B	310	GLN	0	0.045	0.032	24.992	0.008	0.008	0.000	0.000	0.000	0.000
293	B	311	GLU	-1	-0.896	-0.950	27.858	-0.197	-0.197	0.000	0.000	0.000	0.000
294	B	312	ARG	1	0.785	0.853	20.450	0.414	0.414	0.000	0.000	0.000	0.000
295	B	313	ILE	0	-0.074	-0.012	27.155	0.005	0.005	0.000	0.000	0.000	0.000
296	B	314	THR	0	0.031	0.008	30.045	0.015	0.015	0.000	0.000	0.000	0.000
297	B	315	SER	0	0.003	0.024	32.335	-0.006	-0.006	0.000	0.000	0.000	0.000
298	B	316	THR	0	-0.068	-0.027	30.760	-0.001	-0.001	0.000	0.000	0.000	0.000
299	B	317	LYS	1	0.772	0.866	34.178	0.133	0.133	0.000	0.000	0.000	0.000
300	B	318	GLU	-1	-0.827	-0.905	31.622	-0.163	-0.163	0.000	0.000	0.000	0.000
301	B	319	GLY	0	0.071	0.049	34.663	0.002	0.002	0.000	0.000	0.000	0.000
302	B	320	SER	0	-0.110	-0.090	35.431	-0.001	-0.001	0.000	0.000	0.000	0.000
303	B	321	ILE	0	0.024	0.005	30.931	-0.007	-0.007	0.000	0.000	0.000	0.000
304	B	322	THR	0	0.011	0.031	34.449	0.003	0.003	0.000	0.000	0.000	0.000
305	B	323	SER	0	-0.036	-0.016	33.635	-0.003	-0.003	0.000	0.000	0.000	0.000
306	B	324	ILE	0	0.006	-0.001	35.569	0.007	0.007	0.000	0.000	0.000	0.000
307	B	325	GLN	0	0.020	0.006	31.580	-0.001	-0.001	0.000	0.000	0.000	0.000
308	B	326	ALA	0	0.004	0.024	35.737	0.009	0.009	0.000	0.000	0.000	0.000
309	B	327	VAL	0	-0.021	-0.021	35.125	-0.012	-0.012	0.000	0.000	0.000	0.000
310	B	328	TYR	0	-0.041	-0.032	35.870	0.012	0.012	0.000	0.000	0.000	0.000
311	B	329	VAL	0	0.032	0.023	37.129	-0.006	-0.006	0.000	0.000	0.000	0.000
312	B	330	PRO	0	-0.022	-0.019	36.601	0.006	0.006	0.000	0.000	0.000	0.000
313	B	331	ALA	0	-0.021	-0.015	39.478	0.003	0.003	0.000	0.000	0.000	0.000
314	B	332	ASP	-1	-0.792	-0.867	42.804	-0.094	-0.094	0.000	0.000	0.000	0.000
315	B	333	ASP	-1	-0.812	-0.867	42.628	-0.101	-0.101	0.000	0.000	0.000	0.000
316	B	334	LEU	0	-0.001	-0.013	41.528	-0.007	-0.007	0.000	0.000	0.000	0.000
317	B	335	THR	0	-0.106	-0.079	41.237	-0.004	-0.004	0.000	0.000	0.000	0.000
318	B	336	ASP	-1	-0.736	-0.855	36.614	-0.146	-0.146	0.000	0.000	0.000	0.000
319	B	337	PRO	0	0.005	-0.012	34.145	-0.005	-0.005	0.000	0.000	0.000	0.000
320	B	338	ALA	0	-0.019	0.021	32.478	-0.007	-0.007	0.000	0.000	0.000	0.000
321	B	339	PRO	0	-0.009	-0.003	33.680	-0.006	-0.006	0.000	0.000	0.000	0.000
322	B	340	ALA	0	0.052	0.036	36.454	-0.001	-0.001	0.000	0.000	0.000	0.000
323	B	341	THR	0	-0.047	-0.048	31.197	0.000	0.000	0.000	0.000	0.000	0.000
324	B	342	THR	0	-0.040	-0.048	33.536	-0.007	-0.007	0.000	0.000	0.000	0.000
325	B	343	PHE	0	0.002	0.009	35.035	-0.001	-0.001	0.000	0.000	0.000	0.000
326	B	344	ALA	0	-0.022	-0.001	35.391	0.004	0.004	0.000	0.000	0.000	0.000
327	B	345	HIS	0	-0.066	-0.018	30.685	-0.003	-0.003	0.000	0.000	0.000	0.000
328	B	346	LEU	0	-0.010	0.002	34.949	-0.006	-0.006	0.000	0.000	0.000	0.000
329	B	347	ASP	-1	-0.776	-0.870	37.989	-0.115	-0.115	0.000	0.000	0.000	0.000
330	B	348	ALA	0	-0.035	-0.021	40.929	0.008	0.008	0.000	0.000	0.000	0.000
331	B	349	THR	0	-0.005	-0.006	41.346	-0.006	-0.006	0.000	0.000	0.000	0.000
332	B	350	THR	0	-0.026	-0.029	43.185	0.004	0.004	0.000	0.000	0.000	0.000
333	B	351	VAL	0	0.018	0.025	43.981	-0.006	-0.006	0.000	0.000	0.000	0.000
334	B	352	LEU	0	-0.051	-0.016	44.519	0.005	0.005	0.000	0.000	0.000	0.000
335	B	353	SER	0	0.021	0.001	46.380	-0.002	-0.002	0.000	0.000	0.000	0.000
336	B	354	ARG	1	0.817	0.856	45.281	0.096	0.096	0.000	0.000	0.000	0.000
337	B	355	GLY	0	0.012	0.010	50.157	0.002	0.002	0.000	0.000	0.000	0.000
338	B	356	LEU	0	-0.008	-0.004	52.608	0.003	0.003	0.000	0.000	0.000	0.000
339	B	357	ALA	0	0.055	0.017	50.598	0.001	0.001	0.000	0.000	0.000	0.000
340	B	358	ALA	0	-0.059	-0.022	52.764	0.002	0.002	0.000	0.000	0.000	0.000
341	B	359	LYS	1	0.843	0.928	55.315	0.065	0.065	0.000	0.000	0.000	0.000
342	B	360	GLY	0	0.020	0.022	56.325	0.002	0.002	0.000	0.000	0.000	0.000
343	B	361	ILE	0	-0.025	0.002	54.721	0.001	0.001	0.000	0.000	0.000	0.000
344	B	362	TYR	0	-0.040	-0.014	50.557	-0.005	-0.005	0.000	0.000	0.000	0.000
345	B	363	PRO	0	0.061	0.031	49.087	0.001	0.001	0.000	0.000	0.000	0.000
346	B	364	ALA	0	0.042	0.035	49.514	0.001	0.001	0.000	0.000	0.000	0.000
347	B	365	VAL	0	-0.061	-0.039	48.007	-0.002	-0.002	0.000	0.000	0.000	0.000
348	B	366	ASP	-1	-0.743	-0.868	49.653	-0.072	-0.072	0.000	0.000	0.000	0.000
349	B	367	PRO	0	0.003	0.010	51.062	-0.002	-0.002	0.000	0.000	0.000	0.000
350	B	368	LEU	0	-0.030	-0.001	53.375	0.000	0.000	0.000	0.000	0.000	0.000
351	B	369	ASP	-1	-0.905	-0.950	47.558	-0.096	-0.096	0.000	0.000	0.000	0.000
352	B	370	SER	0	0.008	-0.018	47.159	-0.005	-0.005	0.000	0.000	0.000	0.000
353	B	371	THR	0	-0.011	0.011	45.742	0.003	0.003	0.000	0.000	0.000	0.000
354	B	372	SER	0	0.046	-0.013	45.475	-0.004	-0.004	0.000	0.000	0.000	0.000
355	B	373	THR	0	-0.024	-0.019	43.239	0.006	0.006	0.000	0.000	0.000	0.000
356	B	374	MET	0	-0.045	0.008	46.356	0.002	0.002	0.000	0.000	0.000	0.000
357	B	375	LEU	0	-0.022	0.017	48.537	0.003	0.003	0.000	0.000	0.000	0.000
358	B	376	GLN	0	-0.014	-0.022	49.139	0.002	0.002	0.000	0.000	0.000	0.000
359	B	377	PRO	0	0.034	0.033	53.241	-0.001	-0.001	0.000	0.000	0.000	0.000
360	B	378	ARG	1	0.926	0.940	53.628	0.065	0.065	0.000	0.000	0.000	0.000
361	B	379	ILE	0	-0.046	-0.014	48.946	-0.001	-0.001	0.000	0.000	0.000	0.000
362	B	380	VAL	0	-0.042	-0.009	51.707	-0.001	-0.001	0.000	0.000	0.000	0.000
363	B	381	GLY	0	0.043	0.040	54.268	0.001	0.001	0.000	0.000	0.000	0.000
364	B	382	GLU	-1	-0.892	-0.977	57.991	-0.060	-0.060	0.000	0.000	0.000	0.000
365	B	383	GLU	-1	-0.863	-0.918	60.627	-0.054	-0.054	0.000	0.000	0.000	0.000
366	B	384	HIS	0	0.016	0.012	53.014	0.001	0.001	0.000	0.000	0.000	0.000
367	B	385	TYR	0	0.006	-0.010	55.233	0.000	0.000	0.000	0.000	0.000	0.000
368	B	386	GLU	-1	-0.849	-0.906	57.497	-0.052	-0.052	0.000	0.000	0.000	0.000
369	B	387	ILE	0	-0.026	0.002	60.125	0.000	0.000	0.000	0.000	0.000	0.000
370	B	388	ALA	0	0.024	0.004	55.388	0.000	0.000	0.000	0.000	0.000	0.000
371	B	389	GLN	0	-0.063	-0.041	57.285	-0.001	-0.001	0.000	0.000	0.000	0.000
372	B	390	ARG	1	0.874	0.921	58.890	0.052	0.052	0.000	0.000	0.000	0.000
373	B	391	VAL	0	0.008	0.007	57.988	0.001	0.001	0.000	0.000	0.000	0.000
374	B	392	LYS	1	0.816	0.899	51.686	0.079	0.079	0.000	0.000	0.000	0.000
375	B	393	GLU	-1	-0.844	-0.909	58.360	-0.052	-0.052	0.000	0.000	0.000	0.000
376	B	394	THR	0	-0.048	-0.017	61.535	0.001	0.001	0.000	0.000	0.000	0.000
377	B	395	LEU	0	-0.020	-0.018	57.744	0.001	0.001	0.000	0.000	0.000	0.000
378	B	396	GLN	0	-0.058	-0.031	58.037	-0.002	-0.002	0.000	0.000	0.000	0.000
379	B	397	ARG	1	0.898	0.929	60.361	0.050	0.050	0.000	0.000	0.000	0.000
380	B	398	TYR	0	0.015	0.011	62.471	0.002	0.002	0.000	0.000	0.000	0.000
381	B	399	LYS	1	0.822	0.885	54.413	0.071	0.071	0.000	0.000	0.000	0.000
382	B	400	GLU	-1	-0.896	-0.937	61.324	-0.054	-0.054	0.000	0.000	0.000	0.000
383	B	401	LEU	0	0.021	0.013	63.338	0.002	0.002	0.000	0.000	0.000	0.000
384	B	402	GLN	0	-0.063	-0.022	59.755	0.001	0.001	0.000	0.000	0.000	0.000
385	B	403	ASP	-1	-0.899	-0.961	62.319	-0.053	-0.053	0.000	0.000	0.000	0.000
386	B	404	ILE	0	-0.019	0.003	65.311	0.002	0.002	0.000	0.000	0.000	0.000
387	B	405	ILE	0	0.027	-0.002	67.701	0.001	0.001	0.000	0.000	0.000	0.000
388	B	406	ALA	0	-0.078	-0.027	66.863	0.001	0.001	0.000	0.000	0.000	0.000
389	B	407	ILE	0	-0.076	-0.040	68.431	0.001	0.001	0.000	0.000	0.000	0.000
390	B	408	LEU	0	-0.055	-0.029	71.253	0.001	0.001	0.000	0.000	0.000	0.000
391	B	409	GLY	0	0.004	0.031	73.171	0.001	0.001	0.000	0.000	0.000	0.000
392	B	410	LEU	0	0.014	-0.026	71.691	-0.001	-0.001	0.000	0.000	0.000	0.000
393	B	411	ASP	-1	-0.912	-0.951	75.319	-0.035	-0.035	0.000	0.000	0.000	0.000
394	B	412	GLU	-1	-0.919	-0.957	78.204	-0.032	-0.032	0.000	0.000	0.000	0.000
395	B	413	LEU	0	-0.061	-0.010	72.340	0.000	0.000	0.000	0.000	0.000	0.000
396	B	414	SER	0	-0.017	-0.037	75.625	0.001	0.001	0.000	0.000	0.000	0.000
397	B	415	GLU	-1	-0.796	-0.892	76.286	-0.036	-0.036	0.000	0.000	0.000	0.000
398	B	416	GLU	-1	-0.926	-0.954	74.504	-0.040	-0.040	0.000	0.000	0.000	0.000
399	B	417	ASP	-1	-0.854	-0.894	71.979	-0.042	-0.042	0.000	0.000	0.000	0.000
400	B	418	ARG	1	0.732	0.822	71.601	0.034	0.034	0.000	0.000	0.000	0.000
401	B	419	LEU	0	-0.018	0.003	72.358	-0.001	-0.001	0.000	0.000	0.000	0.000
402	B	420	THR	0	-0.062	-0.044	67.830	-0.002	-0.002	0.000	0.000	0.000	0.000
403	B	421	VAL	0	0.016	0.013	67.762	-0.002	-0.002	0.000	0.000	0.000	0.000
404	B	422	ALA	0	-0.009	-0.003	67.941	-0.001	-0.001	0.000	0.000	0.000	0.000
405	B	423	ARG	1	0.819	0.895	67.599	0.043	0.043	0.000	0.000	0.000	0.000
406	B	424	ALA	0	0.033	0.012	63.887	-0.002	-0.002	0.000	0.000	0.000	0.000
407	B	425	ARG	1	0.844	0.917	63.399	0.047	0.047	0.000	0.000	0.000	0.000
408	B	426	LYS	1	0.839	0.939	64.199	0.044	0.044	0.000	0.000	0.000	0.000
409	B	427	ILE	0	0.014	0.014	60.198	-0.002	-0.002	0.000	0.000	0.000	0.000
410	B	428	GLU	-1	-0.834	-0.926	59.488	-0.061	-0.061	0.000	0.000	0.000	0.000
411	B	429	ARG	1	0.736	0.857	59.213	0.052	0.052	0.000	0.000	0.000	0.000
412	B	430	PHE	0	0.045	0.028	60.453	-0.001	-0.001	0.000	0.000	0.000	0.000
413	B	431	LEU	0	-0.034	-0.017	55.509	-0.002	-0.002	0.000	0.000	0.000	0.000
414	B	432	SER	0	-0.039	-0.001	55.641	-0.004	-0.004	0.000	0.000	0.000	0.000
415	B	433	GLN	0	-0.023	-0.043	53.653	0.002	0.002	0.000	0.000	0.000	0.000
416	B	434	PRO	0	-0.011	0.023	54.231	-0.003	-0.003	0.000	0.000	0.000	0.000
417	B	435	PHE	0	-0.002	-0.018	47.380	-0.001	-0.001	0.000	0.000	0.000	0.000
418	B	436	PHE	0	0.023	-0.011	50.761	0.002	0.002	0.000	0.000	0.000	0.000
419	B	437	VAL	0	-0.045	-0.012	45.598	0.000	0.000	0.000	0.000	0.000	0.000
420	B	438	ALA	0	-0.033	-0.024	48.916	-0.001	-0.001	0.000	0.000	0.000	0.000
421	B	439	GLU	-1	-0.777	-0.881	51.089	-0.070	-0.070	0.000	0.000	0.000	0.000
422	B	440	VAL	0	-0.055	-0.030	50.202	0.003	0.003	0.000	0.000	0.000	0.000
423	B	441	PHE	0	-0.090	-0.051	48.117	0.000	0.000	0.000	0.000	0.000	0.000
424	B	442	THR	0	-0.005	0.006	53.969	0.001	0.001	0.000	0.000	0.000	0.000
425	B	443	GLY	0	-0.010	0.012	56.773	0.003	0.003	0.000	0.000	0.000	0.000
426	B	444	SER	0	-0.036	-0.031	58.114	0.003	0.003	0.000	0.000	0.000	0.000
427	B	445	PRO	0	-0.002	0.005	57.552	-0.002	-0.002	0.000	0.000	0.000	0.000
428	B	446	GLY	0	0.004	0.000	54.719	0.001	0.001	0.000	0.000	0.000	0.000
429	B	447	LYS	1	0.811	0.892	55.281	0.064	0.064	0.000	0.000	0.000	0.000
430	B	448	TYR	0	-0.016	0.010	50.941	-0.001	-0.001	0.000	0.000	0.000	0.000
431	B	449	VAL	0	-0.020	-0.011	54.563	0.003	0.003	0.000	0.000	0.000	0.000
432	B	450	GLY	0	0.024	0.022	54.304	-0.003	-0.003	0.000	0.000	0.000	0.000
433	B	451	LEU	0	-0.003	-0.011	52.423	0.002	0.002	0.000	0.000	0.000	0.000
434	B	452	ALA	0	0.001	0.004	55.969	0.002	0.002	0.000	0.000	0.000	0.000
435	B	453	GLU	-1	-0.786	-0.881	59.415	-0.055	-0.055	0.000	0.000	0.000	0.000
436	B	454	THR	0	-0.012	-0.001	56.098	0.001	0.001	0.000	0.000	0.000	0.000
437	B	455	ILE	0	-0.032	-0.017	57.000	0.001	0.001	0.000	0.000	0.000	0.000
438	B	456	ARG	1	0.873	0.918	60.431	0.056	0.056	0.000	0.000	0.000	0.000
439	B	457	GLY	0	0.032	0.008	62.746	0.002	0.002	0.000	0.000	0.000	0.000
440	B	458	PHE	0	0.017	-0.010	58.121	0.001	0.001	0.000	0.000	0.000	0.000
441	B	459	GLN	0	-0.035	-0.014	63.214	0.001	0.001	0.000	0.000	0.000	0.000
442	B	460	LEU	0	0.017	0.014	65.821	0.001	0.001	0.000	0.000	0.000	0.000
443	B	461	ILE	0	-0.051	-0.020	63.993	0.001	0.001	0.000	0.000	0.000	0.000
444	B	462	LEU	0	-0.046	-0.031	63.007	0.001	0.001	0.000	0.000	0.000	0.000
445	B	463	SER	0	-0.051	-0.056	67.434	0.001	0.001	0.000	0.000	0.000	0.000
446	B	464	GLY	0	0.052	0.003	70.839	0.001	0.001	0.000	0.000	0.000	0.000
447	B	465	GLU	-1	-0.914	-0.915	71.698	-0.043	-0.043	0.000	0.000	0.000	0.000
448	B	466	LEU	0	0.025	0.018	68.468	0.000	0.000	0.000	0.000	0.000	0.000
449	B	467	ASP	-1	-0.765	-0.872	72.049	-0.044	-0.044	0.000	0.000	0.000	0.000
450	B	468	SER	0	-0.070	-0.037	73.679	0.000	0.000	0.000	0.000	0.000	0.000
451	B	469	LEU	0	0.017	0.027	70.575	0.001	0.001	0.000	0.000	0.000	0.000
452	B	470	PRO	0	0.023	0.002	71.668	0.000	0.000	0.000	0.000	0.000	0.000
453	B	471	GLU	-1	-0.761	-0.877	67.118	-0.050	-0.050	0.000	0.000	0.000	0.000
454	B	472	GLN	0	-0.012	-0.023	64.278	-0.002	-0.002	0.000	0.000	0.000	0.000
455	B	473	ALA	0	-0.012	0.010	66.629	-0.001	-0.001	0.000	0.000	0.000	0.000
456	B	474	PHE	0	0.030	0.002	64.113	-0.001	-0.001	0.000	0.000	0.000	0.000
457	B	475	TYR	0	-0.041	-0.032	58.569	-0.002	-0.002	0.000	0.000	0.000	0.000
458	B	476	LEU	0	-0.051	-0.029	56.960	0.001	0.001	0.000	0.000	0.000	0.000
459	B	477	VAL	0	0.015	0.025	60.093	0.000	0.000	0.000	0.000	0.000	0.000
460	B	478	GLY	0	0.000	-0.019	59.192	-0.002	-0.002	0.000	0.000	0.000	0.000
461	B	479	ASN	0	-0.044	-0.056	60.193	-0.003	-0.003	0.000	0.000	0.000	0.000
462	B	480	ILE	0	0.003	0.005	62.504	0.001	0.001	0.000	0.000	0.000	0.000
463	B	481	ASP	-1	-0.847	-0.919	65.308	-0.050	-0.050	0.000	0.000	0.000	0.000
464	B	482	GLU	-1	-0.795	-0.885	62.233	-0.058	-0.058	0.000	0.000	0.000	0.000
465	B	483	ALA	0	-0.043	-0.006	65.193	0.001	0.001	0.000	0.000	0.000	0.000
466	B	484	THR	0	-0.053	-0.031	66.919	0.001	0.001	0.000	0.000	0.000	0.000
467	B	485	ALA	0	-0.059	-0.014	69.261	0.002	0.002	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(B:19:ASN)