FMO DATABASE

FMODB ID: QVZ4Y

Calculation Name: 1E5M-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 1E5M

Chain ID: A

ChEMBL ID:

UniProt ID: P73283

Base Structure: X-ray

Registration Date: 2023-09-23

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	411
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-6952061.457047
FMO2-HF: Nuclear repulsion	6796575.928766
FMO2-HF: Total energy	-155485.528281
FMO2-MP2: Total energy	-155929.515681

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:6:LYS)

Summations of interaction energy for fragment #1(A:6:LYS)

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.
-215.815	-213.98	23.391	-12.219	-13.004	-0.134

Interaction energy analysis for fragmet #1(A:6:LYS)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 1 / q_Mulliken : 0.859 / q_NPA : 0.919

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	8	ARG	1	0.855	0.900	3.674	19.957	21.817	-0.002	-0.923	-0.934	0.004
4	A	9	VAL	0	-0.010	-0.002	5.605	1.197	1.197	0.000	0.000	0.000	0.000
5	A	10	VAL	0	0.010	0.006	8.109	0.965	0.965	0.000	0.000	0.000	0.000
6	A	11	VAL	0	0.008	0.004	11.753	-0.308	-0.308	0.000	0.000	0.000	0.000
7	A	12	THR	0	-0.005	-0.026	14.927	1.047	1.047	0.000	0.000	0.000	0.000
8	A	13	GLY	0	-0.017	-0.004	17.463	1.018	1.018	0.000	0.000	0.000	0.000
9	A	14	LEU	0	-0.022	-0.010	19.149	-0.900	-0.900	0.000	0.000	0.000	0.000
10	A	15	GLY	0	0.016	0.002	21.976	0.622	0.622	0.000	0.000	0.000	0.000
11	A	16	ALA	0	-0.031	-0.019	23.814	-0.496	-0.496	0.000	0.000	0.000	0.000
12	A	17	ILE	0	-0.032	-0.003	26.439	0.443	0.443	0.000	0.000	0.000	0.000
13	A	18	THR	0	0.020	-0.001	27.995	-0.179	-0.179	0.000	0.000	0.000	0.000
14	A	19	PRO	0	-0.017	-0.004	30.633	0.265	0.265	0.000	0.000	0.000	0.000
15	A	20	ILE	0	0.015	0.032	30.942	0.334	0.334	0.000	0.000	0.000	0.000
16	A	21	GLY	0	0.021	0.016	33.328	0.173	0.173	0.000	0.000	0.000	0.000
17	A	22	ASN	0	-0.022	-0.014	31.771	-0.535	-0.535	0.000	0.000	0.000	0.000
18	A	23	THR	0	0.013	-0.022	30.151	-0.208	-0.208	0.000	0.000	0.000	0.000
19	A	24	LEU	0	0.023	0.014	24.719	0.088	0.088	0.000	0.000	0.000	0.000
20	A	25	GLN	0	-0.024	-0.010	28.044	-0.040	-0.040	0.000	0.000	0.000	0.000
21	A	26	ASP	-1	-0.852	-0.890	30.886	-9.290	-9.290	0.000	0.000	0.000	0.000
22	A	27	TYR	0	-0.028	-0.039	24.928	0.339	0.339	0.000	0.000	0.000	0.000
23	A	28	TRP	0	0.018	-0.015	25.961	-0.056	-0.056	0.000	0.000	0.000	0.000
24	A	29	GLN	0	0.028	0.001	29.515	0.038	0.038	0.000	0.000	0.000	0.000
25	A	30	GLY	0	0.026	0.006	33.058	0.248	0.248	0.000	0.000	0.000	0.000
26	A	31	LEU	0	-0.009	-0.018	27.327	0.151	0.151	0.000	0.000	0.000	0.000
27	A	32	MET	0	-0.048	-0.011	29.221	0.140	0.140	0.000	0.000	0.000	0.000
28	A	33	GLU	-1	-0.846	-0.885	33.266	-8.330	-8.330	0.000	0.000	0.000	0.000
29	A	34	GLY	0	0.024	0.019	34.935	0.215	0.215	0.000	0.000	0.000	0.000
30	A	35	ARG	1	0.706	0.822	35.034	9.090	9.090	0.000	0.000	0.000	0.000
31	A	36	ASN	0	-0.005	-0.020	35.527	-0.358	-0.358	0.000	0.000	0.000	0.000
32	A	37	GLY	0	0.012	0.013	35.885	0.143	0.143	0.000	0.000	0.000	0.000
33	A	38	ILE	0	-0.075	-0.036	34.824	0.014	0.014	0.000	0.000	0.000	0.000
34	A	39	GLY	0	0.013	0.009	38.258	0.202	0.202	0.000	0.000	0.000	0.000
35	A	40	PRO	0	-0.015	-0.015	41.103	-0.129	-0.129	0.000	0.000	0.000	0.000
36	A	41	ILE	0	-0.052	-0.020	38.788	-0.083	-0.083	0.000	0.000	0.000	0.000
37	A	42	THR	0	-0.092	-0.070	41.971	0.222	0.222	0.000	0.000	0.000	0.000
38	A	43	ARG	1	0.839	0.910	36.382	8.682	8.682	0.000	0.000	0.000	0.000
39	A	44	PHE	0	-0.058	-0.033	39.235	-0.019	-0.019	0.000	0.000	0.000	0.000
40	A	45	ASP	-1	-0.827	-0.884	43.771	-6.538	-6.538	0.000	0.000	0.000	0.000
41	A	46	ALA	0	0.038	0.012	43.519	-0.048	-0.048	0.000	0.000	0.000	0.000
42	A	47	SER	0	-0.073	-0.065	45.439	0.015	0.015	0.000	0.000	0.000	0.000
43	A	48	ASP	-1	-0.869	-0.923	46.824	-6.857	-6.857	0.000	0.000	0.000	0.000
44	A	49	GLN	0	-0.054	-0.027	42.728	-0.203	-0.203	0.000	0.000	0.000	0.000
45	A	50	ALA	0	-0.018	-0.011	43.546	0.090	0.090	0.000	0.000	0.000	0.000
46	A	51	CYS	0	-0.063	-0.012	40.139	0.022	0.022	0.000	0.000	0.000	0.000
47	A	52	ARG	1	0.916	0.963	42.240	6.757	6.757	0.000	0.000	0.000	0.000
48	A	53	PHE	0	0.026	0.008	39.257	0.107	0.107	0.000	0.000	0.000	0.000
49	A	54	GLY	0	0.046	0.031	37.003	-0.162	-0.162	0.000	0.000	0.000	0.000
50	A	55	GLY	0	0.022	0.021	34.298	0.175	0.175	0.000	0.000	0.000	0.000
51	A	56	GLU	-1	-0.731	-0.853	34.198	-8.259	-8.259	0.000	0.000	0.000	0.000
52	A	57	VAL	0	-0.062	-0.031	31.954	0.060	0.060	0.000	0.000	0.000	0.000
53	A	58	LYS	1	0.857	0.925	35.239	8.672	8.672	0.000	0.000	0.000	0.000
54	A	59	ASP	-1	-0.876	-0.940	37.409	-8.018	-8.018	0.000	0.000	0.000	0.000
55	A	60	PHE	0	0.000	-0.012	32.357	-0.133	-0.133	0.000	0.000	0.000	0.000
56	A	61	ASP	-1	-0.834	-0.888	37.242	-8.071	-8.071	0.000	0.000	0.000	0.000
57	A	62	ALA	0	0.058	0.019	34.510	-0.120	-0.120	0.000	0.000	0.000	0.000
58	A	63	THR	0	-0.118	-0.090	35.514	-0.057	-0.057	0.000	0.000	0.000	0.000
59	A	64	GLN	0	0.007	0.014	37.206	0.100	0.100	0.000	0.000	0.000	0.000
60	A	65	PHE	0	-0.009	-0.001	32.655	-0.034	-0.034	0.000	0.000	0.000	0.000
61	A	66	LEU	0	0.016	0.023	30.945	-0.281	-0.281	0.000	0.000	0.000	0.000
62	A	67	ASP	-1	-0.743	-0.854	34.750	-8.041	-8.041	0.000	0.000	0.000	0.000
63	A	68	ARG	1	0.887	0.923	37.195	7.697	7.697	0.000	0.000	0.000	0.000
64	A	69	LYS	1	0.794	0.877	38.998	8.312	8.312	0.000	0.000	0.000	0.000
65	A	70	GLU	-1	-0.870	-0.936	32.484	-9.847	-9.847	0.000	0.000	0.000	0.000
66	A	71	ALA	0	0.026	0.021	35.063	-0.108	-0.108	0.000	0.000	0.000	0.000
67	A	72	LYS	1	0.917	0.964	36.073	7.377	7.377	0.000	0.000	0.000	0.000
68	A	73	ARG	1	0.898	0.940	35.862	8.481	8.481	0.000	0.000	0.000	0.000
69	A	74	MET	0	0.019	0.027	31.173	-0.340	-0.340	0.000	0.000	0.000	0.000
70	A	75	ASP	-1	-0.783	-0.897	32.176	-9.425	-9.425	0.000	0.000	0.000	0.000
71	A	76	ARG	1	0.826	0.891	31.893	8.819	8.819	0.000	0.000	0.000	0.000
72	A	77	PHE	0	-0.006	0.002	25.894	-0.217	-0.217	0.000	0.000	0.000	0.000
73	A	78	CYS	0	-0.027	0.014	27.506	-0.588	-0.588	0.000	0.000	0.000	0.000
74	A	79	HIS	0	-0.013	-0.026	28.390	-0.200	-0.200	0.000	0.000	0.000	0.000
75	A	80	PHE	0	0.000	0.005	28.090	-0.062	-0.062	0.000	0.000	0.000	0.000
76	A	81	ALA	0	0.047	0.032	24.090	-0.229	-0.229	0.000	0.000	0.000	0.000
77	A	82	VAL	0	0.029	0.034	24.729	-0.407	-0.407	0.000	0.000	0.000	0.000
78	A	83	CYS	0	-0.022	-0.008	26.711	-0.022	-0.022	0.000	0.000	0.000	0.000
79	A	84	ALA	0	0.016	0.008	24.846	0.051	0.051	0.000	0.000	0.000	0.000
80	A	85	SER	0	0.026	-0.014	22.597	-0.671	-0.671	0.000	0.000	0.000	0.000
81	A	86	GLN	0	-0.027	-0.028	23.698	-0.130	-0.130	0.000	0.000	0.000	0.000
82	A	87	GLN	0	-0.015	0.013	26.362	-0.195	-0.195	0.000	0.000	0.000	0.000
83	A	88	ALA	0	0.029	0.028	21.020	0.022	0.022	0.000	0.000	0.000	0.000
84	A	89	ILE	0	0.038	0.010	20.893	-0.353	-0.353	0.000	0.000	0.000	0.000
85	A	90	ASN	0	-0.034	-0.029	23.492	0.300	0.300	0.000	0.000	0.000	0.000
86	A	91	ASP	-1	-0.778	-0.842	23.244	-12.943	-12.943	0.000	0.000	0.000	0.000
87	A	92	ALA	0	0.044	0.030	20.028	0.112	0.112	0.000	0.000	0.000	0.000
88	A	93	LYS	1	0.791	0.892	21.794	11.917	11.917	0.000	0.000	0.000	0.000
89	A	94	LEU	0	-0.013	0.009	18.097	0.050	0.050	0.000	0.000	0.000	0.000
90	A	95	VAL	0	0.022	-0.001	21.960	0.171	0.171	0.000	0.000	0.000	0.000
91	A	96	ILE	0	0.000	0.018	21.114	-0.320	-0.320	0.000	0.000	0.000	0.000
92	A	97	ASN	0	-0.026	-0.024	23.193	0.893	0.893	0.000	0.000	0.000	0.000
93	A	98	GLU	-1	-0.910	-0.967	23.606	-11.239	-11.239	0.000	0.000	0.000	0.000
94	A	99	LEU	0	-0.049	-0.018	23.087	-0.186	-0.186	0.000	0.000	0.000	0.000
95	A	100	ASN	0	0.011	-0.003	18.728	-0.146	-0.146	0.000	0.000	0.000	0.000
96	A	101	ALA	0	0.042	0.027	18.900	-0.838	-0.838	0.000	0.000	0.000	0.000
97	A	102	ASP	-1	-0.828	-0.900	19.343	-14.769	-14.769	0.000	0.000	0.000	0.000
98	A	103	GLU	-1	-0.926	-0.954	14.374	-19.706	-19.706	0.000	0.000	0.000	0.000
99	A	104	ILE	0	-0.004	-0.010	14.644	-1.549	-1.549	0.000	0.000	0.000	0.000
100	A	105	GLY	0	0.050	0.019	15.344	0.945	0.945	0.000	0.000	0.000	0.000
101	A	106	VAL	0	-0.069	-0.041	16.260	0.313	0.313	0.000	0.000	0.000	0.000
102	A	107	LEU	0	-0.043	-0.031	12.427	-0.263	-0.263	0.000	0.000	0.000	0.000
103	A	108	ILE	0	-0.019	0.010	16.217	-0.282	-0.282	0.000	0.000	0.000	0.000
104	A	109	GLY	0	0.036	0.030	18.924	0.216	0.216	0.000	0.000	0.000	0.000
105	A	110	THR	0	-0.059	-0.053	19.707	0.738	0.738	0.000	0.000	0.000	0.000
106	A	111	GLY	0	-0.002	-0.016	22.992	-0.400	-0.400	0.000	0.000	0.000	0.000
107	A	112	ILE	0	-0.083	-0.048	25.015	0.180	0.180	0.000	0.000	0.000	0.000
108	A	113	GLY	0	0.026	0.023	27.821	0.082	0.082	0.000	0.000	0.000	0.000
109	A	114	GLY	0	0.019	0.020	28.410	0.319	0.319	0.000	0.000	0.000	0.000
110	A	115	LEU	0	-0.047	-0.031	31.797	0.279	0.279	0.000	0.000	0.000	0.000
111	A	116	LYS	1	0.922	0.946	33.983	8.139	8.139	0.000	0.000	0.000	0.000
112	A	117	VAL	0	-0.015	-0.007	35.085	0.304	0.304	0.000	0.000	0.000	0.000
113	A	118	LEU	0	0.034	0.008	34.263	0.225	0.225	0.000	0.000	0.000	0.000
114	A	119	GLU	-1	-0.761	-0.865	37.322	-8.210	-8.210	0.000	0.000	0.000	0.000
115	A	120	ASP	-1	-0.826	-0.873	40.037	-7.524	-7.524	0.000	0.000	0.000	0.000
116	A	121	GLN	0	0.007	-0.004	39.895	0.340	0.340	0.000	0.000	0.000	0.000
117	A	122	GLN	0	0.030	0.017	40.817	0.042	0.042	0.000	0.000	0.000	0.000
118	A	123	THR	0	-0.005	-0.020	42.653	0.214	0.214	0.000	0.000	0.000	0.000
119	A	124	ILE	0	-0.013	-0.013	44.366	0.187	0.187	0.000	0.000	0.000	0.000
120	A	125	LEU	0	-0.023	-0.014	43.004	0.163	0.163	0.000	0.000	0.000	0.000
121	A	126	LEU	0	-0.050	-0.019	46.226	0.119	0.119	0.000	0.000	0.000	0.000
122	A	127	ASP	-1	-0.823	-0.888	48.931	-6.076	-6.076	0.000	0.000	0.000	0.000
123	A	128	LYS	1	0.706	0.828	50.092	6.268	6.268	0.000	0.000	0.000	0.000
124	A	129	GLY	0	0.053	0.049	49.621	0.091	0.091	0.000	0.000	0.000	0.000
125	A	130	PRO	0	0.057	0.005	45.356	-0.085	-0.085	0.000	0.000	0.000	0.000
126	A	131	SER	0	-0.054	-0.028	45.540	-0.138	-0.138	0.000	0.000	0.000	0.000
127	A	132	ARG	1	0.898	0.946	47.683	6.384	6.384	0.000	0.000	0.000	0.000
128	A	133	CYS	0	-0.012	0.028	42.385	0.003	0.003	0.000	0.000	0.000	0.000
129	A	134	SER	0	-0.001	-0.008	40.304	0.031	0.031	0.000	0.000	0.000	0.000
130	A	135	PRO	0	0.028	0.009	40.460	-0.160	-0.160	0.000	0.000	0.000	0.000
131	A	136	PHE	0	-0.034	-0.028	37.187	-0.142	-0.142	0.000	0.000	0.000	0.000
132	A	137	MET	0	0.033	0.014	36.001	-0.295	-0.295	0.000	0.000	0.000	0.000
133	A	138	ILE	0	0.046	0.018	31.756	-0.197	-0.197	0.000	0.000	0.000	0.000
134	A	139	PRO	0	0.005	-0.008	31.079	-0.295	-0.295	0.000	0.000	0.000	0.000
135	A	140	MET	0	-0.042	-0.007	31.491	-0.082	-0.082	0.000	0.000	0.000	0.000
136	A	141	MET	0	-0.018	0.000	32.070	0.036	0.036	0.000	0.000	0.000	0.000
137	A	142	ILE	0	-0.015	-0.004	27.698	-0.196	-0.196	0.000	0.000	0.000	0.000
138	A	143	ALA	0	0.073	0.025	23.984	-0.154	-0.154	0.000	0.000	0.000	0.000
139	A	144	ASN	0	0.061	0.002	22.233	0.166	0.166	0.000	0.000	0.000	0.000
140	A	145	MET	0	-0.035	0.000	23.542	-0.152	-0.152	0.000	0.000	0.000	0.000
141	A	146	ALA	0	0.056	0.035	23.424	0.105	0.105	0.000	0.000	0.000	0.000
142	A	147	SER	0	0.036	0.001	19.217	0.113	0.113	0.000	0.000	0.000	0.000
143	A	148	GLY	0	0.005	0.013	21.819	-0.118	-0.118	0.000	0.000	0.000	0.000
144	A	149	LEU	0	-0.004	-0.025	24.097	0.163	0.163	0.000	0.000	0.000	0.000
145	A	150	THR	0	-0.015	-0.013	22.280	0.380	0.380	0.000	0.000	0.000	0.000
146	A	151	ALA	0	-0.009	-0.006	21.475	-0.014	-0.014	0.000	0.000	0.000	0.000
147	A	152	ILE	0	-0.033	-0.017	23.257	0.229	0.229	0.000	0.000	0.000	0.000
148	A	153	ASN	0	-0.065	-0.036	26.879	0.036	0.036	0.000	0.000	0.000	0.000
149	A	154	LEU	0	-0.004	-0.002	23.354	0.179	0.179	0.000	0.000	0.000	0.000
150	A	155	GLY	0	0.010	0.014	24.827	-0.215	-0.215	0.000	0.000	0.000	0.000
151	A	156	ALA	0	-0.045	-0.014	19.798	-0.203	-0.203	0.000	0.000	0.000	0.000
152	A	157	LYS	1	0.790	0.862	20.385	13.857	13.857	0.000	0.000	0.000	0.000
153	A	158	GLY	0	0.031	0.046	16.231	-0.161	-0.161	0.000	0.000	0.000	0.000
154	A	159	PRO	0	-0.047	-0.038	12.021	0.749	0.749	0.000	0.000	0.000	0.000
155	A	160	ASN	0	0.001	-0.011	15.015	0.017	0.017	0.000	0.000	0.000	0.000
156	A	161	ASN	0	0.024	0.015	14.071	1.241	1.241	0.000	0.000	0.000	0.000
157	A	162	CYS	0	-0.076	-0.026	17.240	0.476	0.476	0.000	0.000	0.000	0.000
158	A	163	THR	0	0.010	0.014	14.450	0.189	0.189	0.000	0.000	0.000	0.000
159	A	164	VAL	0	-0.006	-0.014	17.758	0.638	0.638	0.000	0.000	0.000	0.000
160	A	165	THR	0	-0.014	-0.026	17.488	0.274	0.274	0.000	0.000	0.000	0.000
161	A	166	ALA	0	0.054	0.021	20.718	0.081	0.081	0.000	0.000	0.000	0.000
162	A	167	CYS	0	-0.059	-0.004	22.718	-0.124	-0.124	0.000	0.000	0.000	0.000
163	A	168	ALA	0	0.045	0.026	17.793	-0.135	-0.135	0.000	0.000	0.000	0.000
164	A	169	ALA	0	-0.039	0.017	17.703	-1.005	-1.005	0.000	0.000	0.000	0.000
165	A	170	GLY	0	0.072	0.029	17.470	-0.943	-0.943	0.000	0.000	0.000	0.000
166	A	171	SER	0	-0.003	-0.010	15.712	-0.832	-0.832	0.000	0.000	0.000	0.000
167	A	172	ASN	0	0.022	-0.002	13.164	-0.197	-0.197	0.000	0.000	0.000	0.000
168	A	173	ALA	0	-0.004	0.021	12.500	-1.841	-1.841	0.000	0.000	0.000	0.000
169	A	174	ILE	0	0.031	0.010	12.139	-1.460	-1.460	0.000	0.000	0.000	0.000
170	A	175	GLY	0	0.048	0.009	9.476	-2.250	-2.250	0.000	0.000	0.000	0.000
171	A	176	ASP	-1	-0.852	-0.920	7.905	-32.391	-32.391	0.000	0.000	0.000	0.000
172	A	177	ALA	0	-0.005	-0.005	8.445	-3.073	-3.073	0.000	0.000	0.000	0.000
173	A	178	PHE	0	0.007	-0.007	5.920	-3.786	-3.786	0.000	0.000	0.000	0.000
174	A	179	ARG	1	0.729	0.837	3.067	49.003	49.753	0.024	-0.236	-0.537	-0.001
175	A	180	LEU	0	-0.004	-0.007	4.370	-7.221	-7.103	-0.001	-0.017	-0.099	0.000
176	A	181	VAL	0	0.014	0.016	6.842	-1.274	-1.274	0.000	0.000	0.000	0.000
177	A	182	GLN	0	0.041	0.038	1.847	-38.163	-38.533	10.914	-4.684	-5.860	-0.059
178	A	183	ASN	0	-0.036	-0.011	1.749	-43.708	-44.390	12.456	-6.298	-5.477	-0.078
179	A	184	GLY	0	-0.003	0.007	4.291	5.948	6.107	0.000	-0.061	-0.097	0.000
180	A	185	TYR	0	-0.065	-0.030	6.404	1.937	1.937	0.000	0.000	0.000	0.000
181	A	186	ALA	0	0.018	0.005	9.434	2.730	2.730	0.000	0.000	0.000	0.000
182	A	187	LYS	1	0.842	0.933	9.952	19.851	19.851	0.000	0.000	0.000	0.000
183	A	188	ALA	0	0.005	-0.001	12.052	-0.477	-0.477	0.000	0.000	0.000	0.000
184	A	189	MET	0	-0.057	-0.005	11.309	0.119	0.119	0.000	0.000	0.000	0.000
185	A	190	ILE	0	0.056	0.047	14.387	0.112	0.112	0.000	0.000	0.000	0.000
186	A	191	CYS	0	-0.060	-0.030	14.071	-0.659	-0.659	0.000	0.000	0.000	0.000
187	A	192	GLY	0	0.061	0.025	16.331	0.378	0.378	0.000	0.000	0.000	0.000
188	A	193	GLY	0	0.055	0.026	18.152	-0.371	-0.371	0.000	0.000	0.000	0.000
189	A	194	THR	0	-0.108	-0.047	20.925	0.575	0.575	0.000	0.000	0.000	0.000
190	A	195	GLU	-1	-0.707	-0.847	24.613	-12.127	-12.127	0.000	0.000	0.000	0.000
191	A	196	ALA	0	0.042	0.006	27.691	0.197	0.197	0.000	0.000	0.000	0.000
192	A	197	ALA	0	0.012	0.018	30.930	0.339	0.339	0.000	0.000	0.000	0.000
193	A	198	ILE	0	0.022	0.023	32.718	0.139	0.139	0.000	0.000	0.000	0.000
194	A	199	THR	0	-0.078	-0.074	35.792	0.129	0.129	0.000	0.000	0.000	0.000
195	A	200	PRO	0	0.062	0.025	38.218	-0.078	-0.078	0.000	0.000	0.000	0.000
196	A	201	LEU	0	-0.014	0.003	37.285	0.014	0.014	0.000	0.000	0.000	0.000
197	A	202	SER	0	-0.025	-0.013	33.988	-0.124	-0.124	0.000	0.000	0.000	0.000
198	A	203	TYR	0	-0.029	-0.050	36.041	-0.190	-0.190	0.000	0.000	0.000	0.000
199	A	204	ALA	0	0.046	0.028	38.378	0.016	0.016	0.000	0.000	0.000	0.000
200	A	205	GLY	0	-0.006	0.000	36.808	0.069	0.069	0.000	0.000	0.000	0.000
201	A	206	PHE	0	0.009	-0.014	30.302	-0.061	-0.061	0.000	0.000	0.000	0.000
202	A	207	ALA	0	0.004	0.012	36.135	0.034	0.034	0.000	0.000	0.000	0.000
203	A	208	SER	0	-0.007	-0.011	39.763	0.183	0.183	0.000	0.000	0.000	0.000
204	A	209	ALA	0	-0.083	-0.040	35.549	0.074	0.074	0.000	0.000	0.000	0.000
205	A	210	ARG	1	0.852	0.928	37.127	7.419	7.419	0.000	0.000	0.000	0.000
206	A	211	ALA	0	0.031	0.025	33.570	-0.034	-0.034	0.000	0.000	0.000	0.000
207	A	212	LEU	0	-0.024	-0.009	34.957	-0.196	-0.196	0.000	0.000	0.000	0.000
208	A	213	SER	0	-0.025	-0.015	36.975	0.200	0.200	0.000	0.000	0.000	0.000
209	A	214	PHE	0	-0.013	-0.037	39.162	0.052	0.052	0.000	0.000	0.000	0.000
210	A	215	ARG	1	0.847	0.926	41.034	7.829	7.829	0.000	0.000	0.000	0.000
211	A	216	ASN	0	-0.066	-0.081	44.118	-0.094	-0.094	0.000	0.000	0.000	0.000
212	A	217	ASP	-1	-0.924	-0.953	45.725	-6.798	-6.798	0.000	0.000	0.000	0.000
213	A	218	ASP	-1	-0.809	-0.892	44.879	-7.157	-7.157	0.000	0.000	0.000	0.000
214	A	219	PRO	0	0.024	0.010	42.042	-0.188	-0.188	0.000	0.000	0.000	0.000
215	A	220	LEU	0	-0.024	-0.007	40.503	-0.221	-0.221	0.000	0.000	0.000	0.000
216	A	221	HIS	1	0.856	0.898	40.136	7.212	7.212	0.000	0.000	0.000	0.000
217	A	222	ALA	0	-0.003	0.016	39.684	-0.028	-0.028	0.000	0.000	0.000	0.000
218	A	223	SER	0	-0.039	-0.023	33.453	-0.153	-0.153	0.000	0.000	0.000	0.000
219	A	224	ARG	1	0.795	0.868	36.182	7.803	7.803	0.000	0.000	0.000	0.000
220	A	225	PRO	0	0.019	-0.003	30.955	0.052	0.052	0.000	0.000	0.000	0.000
221	A	226	PHE	0	-0.042	-0.035	27.681	0.025	0.025	0.000	0.000	0.000	0.000
222	A	227	ASP	-1	-0.703	-0.839	33.718	-7.852	-7.852	0.000	0.000	0.000	0.000
223	A	228	LYS	1	0.838	0.925	37.515	7.094	7.094	0.000	0.000	0.000	0.000
224	A	229	ASP	-1	-0.884	-0.938	40.017	-7.267	-7.267	0.000	0.000	0.000	0.000
225	A	230	ARG	1	0.678	0.835	34.085	9.120	9.120	0.000	0.000	0.000	0.000
226	A	231	ASP	-1	-0.775	-0.861	38.509	-7.910	-7.910	0.000	0.000	0.000	0.000
227	A	232	GLY	0	0.003	-0.004	35.855	0.059	0.059	0.000	0.000	0.000	0.000
228	A	233	PHE	0	-0.039	-0.013	31.713	-0.093	-0.093	0.000	0.000	0.000	0.000
229	A	234	VAL	0	0.049	0.023	33.421	0.276	0.276	0.000	0.000	0.000	0.000
230	A	235	MET	0	-0.036	0.004	31.988	-0.339	-0.339	0.000	0.000	0.000	0.000
231	A	236	GLY	0	0.060	0.031	31.408	0.305	0.305	0.000	0.000	0.000	0.000
232	A	237	GLU	-1	-0.794	-0.853	30.361	-9.363	-9.363	0.000	0.000	0.000	0.000
233	A	238	GLY	0	0.050	0.000	29.050	0.126	0.126	0.000	0.000	0.000	0.000
234	A	239	SER	0	-0.069	-0.062	23.699	-0.350	-0.350	0.000	0.000	0.000	0.000
235	A	240	GLY	0	0.023	0.010	23.003	0.482	0.482	0.000	0.000	0.000	0.000
236	A	241	ILE	0	-0.055	-0.020	19.426	-0.683	-0.683	0.000	0.000	0.000	0.000
237	A	242	LEU	0	0.053	0.009	15.054	0.421	0.421	0.000	0.000	0.000	0.000
238	A	243	ILE	0	-0.045	-0.009	16.530	-0.232	-0.232	0.000	0.000	0.000	0.000
239	A	244	LEU	0	0.001	0.006	10.190	-0.204	-0.204	0.000	0.000	0.000	0.000
240	A	245	GLU	-1	-0.726	-0.828	12.316	-17.798	-17.798	0.000	0.000	0.000	0.000
241	A	246	GLU	-1	-0.728	-0.861	8.014	-26.663	-26.663	0.000	0.000	0.000	0.000
242	A	247	LEU	0	-0.018	-0.011	9.261	2.098	2.098	0.000	0.000	0.000	0.000
243	A	248	GLU	-1	-0.910	-0.972	9.528	-22.554	-22.554	0.000	0.000	0.000	0.000
244	A	249	SER	0	-0.042	-0.018	12.309	1.800	1.800	0.000	0.000	0.000	0.000
245	A	250	ALA	0	0.022	0.012	13.856	1.270	1.270	0.000	0.000	0.000	0.000
246	A	251	LEU	0	-0.042	-0.024	14.011	1.266	1.266	0.000	0.000	0.000	0.000
247	A	252	ALA	0	-0.037	-0.011	16.296	1.026	1.026	0.000	0.000	0.000	0.000
248	A	253	ARG	1	0.729	0.828	17.774	16.687	16.687	0.000	0.000	0.000	0.000
249	A	254	GLY	0	-0.025	-0.005	20.082	0.513	0.513	0.000	0.000	0.000	0.000
250	A	255	ALA	0	-0.038	-0.013	17.987	0.488	0.488	0.000	0.000	0.000	0.000
251	A	256	LYS	1	0.830	0.900	19.824	12.953	12.953	0.000	0.000	0.000	0.000
252	A	257	ILE	0	-0.013	-0.018	14.655	-0.878	-0.878	0.000	0.000	0.000	0.000
253	A	258	TYR	0	-0.034	-0.042	17.643	0.834	0.834	0.000	0.000	0.000	0.000
254	A	259	GLY	0	0.027	0.006	15.501	0.579	0.579	0.000	0.000	0.000	0.000
255	A	260	GLU	-1	-0.835	-0.894	8.371	-27.179	-27.179	0.000	0.000	0.000	0.000
256	A	261	MET	0	-0.013	0.011	9.230	1.188	1.188	0.000	0.000	0.000	0.000
257	A	262	VAL	0	-0.061	-0.039	7.790	-2.355	-2.355	0.000	0.000	0.000	0.000
258	A	263	GLY	0	0.024	0.018	7.733	-3.152	-3.152	0.000	0.000	0.000	0.000
259	A	264	TYR	0	-0.073	-0.038	7.247	3.726	3.726	0.000	0.000	0.000	0.000
260	A	265	ALA	0	-0.039	-0.002	8.431	-3.109	-3.109	0.000	0.000	0.000	0.000
261	A	266	MET	0	0.015	0.008	9.978	2.391	2.391	0.000	0.000	0.000	0.000
262	A	267	THR	0	-0.101	-0.060	13.405	0.039	0.039	0.000	0.000	0.000	0.000
263	A	268	CYS	0	0.008	0.011	16.350	0.475	0.475	0.000	0.000	0.000	0.000
264	A	269	ASP	-1	-0.808	-0.924	19.736	-13.402	-13.402	0.000	0.000	0.000	0.000
265	A	270	ALA	0	-0.079	-0.054	22.846	0.360	0.360	0.000	0.000	0.000	0.000
266	A	271	TYR	0	-0.016	0.015	24.368	0.495	0.495	0.000	0.000	0.000	0.000
267	A	272	HIS	0	0.047	0.023	27.238	0.203	0.203	0.000	0.000	0.000	0.000
268	A	273	ILE	0	0.018	0.021	26.763	-0.453	-0.453	0.000	0.000	0.000	0.000
269	A	274	THR	0	-0.024	-0.030	27.681	-0.269	-0.269	0.000	0.000	0.000	0.000
270	A	275	ALA	0	0.005	0.013	29.386	-0.037	-0.037	0.000	0.000	0.000	0.000
271	A	276	PRO	0	0.044	0.023	26.596	-0.240	-0.240	0.000	0.000	0.000	0.000
272	A	277	VAL	0	-0.033	-0.012	25.279	0.495	0.495	0.000	0.000	0.000	0.000
273	A	278	PRO	0	0.045	0.012	28.072	-0.159	-0.159	0.000	0.000	0.000	0.000
274	A	279	ASP	-1	-0.858	-0.943	27.037	-11.609	-11.609	0.000	0.000	0.000	0.000
275	A	280	GLY	0	0.089	0.046	25.959	-0.205	-0.205	0.000	0.000	0.000	0.000
276	A	281	ARG	1	0.923	0.987	22.643	12.406	12.406	0.000	0.000	0.000	0.000
277	A	282	GLY	0	0.019	0.004	20.096	-0.660	-0.660	0.000	0.000	0.000	0.000
278	A	283	ALA	0	0.040	0.026	19.074	-1.036	-1.036	0.000	0.000	0.000	0.000
279	A	284	THR	0	-0.017	-0.026	19.636	-0.461	-0.461	0.000	0.000	0.000	0.000
280	A	285	ARG	1	0.899	0.942	16.276	16.698	16.698	0.000	0.000	0.000	0.000
281	A	286	ALA	0	0.018	0.022	15.133	-1.247	-1.247	0.000	0.000	0.000	0.000
282	A	287	ILE	0	0.078	0.038	14.713	-1.484	-1.484	0.000	0.000	0.000	0.000
283	A	288	ALA	0	-0.001	-0.008	15.759	-0.873	-0.873	0.000	0.000	0.000	0.000
284	A	289	TRP	0	-0.078	-0.055	10.729	-0.458	-0.458	0.000	0.000	0.000	0.000
285	A	290	ALA	0	0.048	0.034	10.928	-2.441	-2.441	0.000	0.000	0.000	0.000
286	A	291	LEU	0	0.032	0.034	11.315	-1.632	-1.632	0.000	0.000	0.000	0.000
287	A	292	LYS	1	0.902	0.954	11.111	18.991	18.991	0.000	0.000	0.000	0.000
288	A	293	ASP	-1	-0.813	-0.886	5.684	-49.048	-49.048	0.000	0.000	0.000	0.000
289	A	294	SER	0	0.007	-0.002	6.873	-3.075	-3.075	0.000	0.000	0.000	0.000
290	A	295	GLY	0	-0.050	-0.016	9.246	0.849	0.849	0.000	0.000	0.000	0.000
291	A	296	LEU	0	-0.046	-0.023	10.030	1.957	1.957	0.000	0.000	0.000	0.000
292	A	297	LYS	1	0.798	0.875	13.648	14.566	14.566	0.000	0.000	0.000	0.000
293	A	298	PRO	0	0.052	0.007	17.101	-0.077	-0.077	0.000	0.000	0.000	0.000
294	A	299	GLU	-1	-0.776	-0.884	19.787	-13.964	-13.964	0.000	0.000	0.000	0.000
295	A	300	MET	0	-0.057	-0.016	16.823	0.509	0.509	0.000	0.000	0.000	0.000
296	A	301	VAL	0	-0.033	-0.004	18.524	-0.218	-0.218	0.000	0.000	0.000	0.000
297	A	302	SER	0	0.051	0.025	20.350	0.498	0.498	0.000	0.000	0.000	0.000
298	A	303	TYR	0	-0.008	-0.031	21.763	0.415	0.415	0.000	0.000	0.000	0.000
299	A	304	ILE	0	-0.025	-0.012	20.693	-0.904	-0.904	0.000	0.000	0.000	0.000
300	A	305	ASN	0	0.007	0.009	21.206	0.404	0.404	0.000	0.000	0.000	0.000
301	A	306	ALA	0	0.031	-0.004	21.640	-0.643	-0.643	0.000	0.000	0.000	0.000
302	A	307	HIS	0	-0.038	-0.045	22.662	0.016	0.016	0.000	0.000	0.000	0.000
303	A	308	GLY	0	0.004	-0.026	24.192	0.328	0.328	0.000	0.000	0.000	0.000
304	A	309	THR	0	-0.028	0.021	27.342	0.373	0.373	0.000	0.000	0.000	0.000
305	A	310	SER	0	0.069	0.035	29.494	0.255	0.255	0.000	0.000	0.000	0.000
306	A	311	THR	0	-0.037	-0.022	30.927	0.289	0.289	0.000	0.000	0.000	0.000
307	A	312	PRO	0	0.048	0.018	33.176	-0.181	-0.181	0.000	0.000	0.000	0.000
308	A	313	ALA	0	0.024	0.015	32.067	-0.099	-0.099	0.000	0.000	0.000	0.000
309	A	314	ASN	0	-0.034	0.002	26.319	-0.580	-0.580	0.000	0.000	0.000	0.000
310	A	315	ASP	-1	-0.689	-0.843	28.646	-10.679	-10.679	0.000	0.000	0.000	0.000
311	A	316	VAL	0	0.069	0.037	29.869	-0.201	-0.201	0.000	0.000	0.000	0.000
312	A	317	THR	0	-0.034	-0.018	26.909	-0.092	-0.092	0.000	0.000	0.000	0.000
313	A	318	GLU	-1	-0.723	-0.855	23.650	-13.473	-13.473	0.000	0.000	0.000	0.000
314	A	319	THR	0	0.015	0.021	25.774	-0.361	-0.361	0.000	0.000	0.000	0.000
315	A	320	ARG	1	0.871	0.938	27.912	10.457	10.457	0.000	0.000	0.000	0.000
316	A	321	ALA	0	-0.025	-0.016	22.811	-0.177	-0.177	0.000	0.000	0.000	0.000
317	A	322	ILE	0	0.018	0.003	23.083	-0.524	-0.524	0.000	0.000	0.000	0.000
318	A	323	LYS	1	0.844	0.904	24.427	9.610	9.610	0.000	0.000	0.000	0.000
319	A	324	GLN	0	-0.089	-0.039	24.996	0.541	0.541	0.000	0.000	0.000	0.000
320	A	325	ALA	0	-0.059	-0.031	20.043	-0.209	-0.209	0.000	0.000	0.000	0.000
321	A	326	LEU	0	-0.034	-0.012	20.640	-0.619	-0.619	0.000	0.000	0.000	0.000
322	A	327	GLY	0	0.014	0.015	23.376	0.286	0.286	0.000	0.000	0.000	0.000
323	A	328	ASN	0	-0.001	-0.021	26.697	0.234	0.234	0.000	0.000	0.000	0.000
324	A	329	HIS	0	0.004	0.009	23.446	0.621	0.621	0.000	0.000	0.000	0.000
325	A	330	ALA	0	0.003	0.003	26.444	-0.141	-0.141	0.000	0.000	0.000	0.000
326	A	331	TYR	0	-0.073	-0.058	27.278	-0.002	-0.002	0.000	0.000	0.000	0.000
327	A	332	ASN	0	-0.096	-0.035	27.533	0.626	0.626	0.000	0.000	0.000	0.000
328	A	333	ILE	0	-0.044	-0.009	23.810	-0.217	-0.217	0.000	0.000	0.000	0.000
329	A	334	ALA	0	0.016	0.022	26.684	0.370	0.370	0.000	0.000	0.000	0.000
330	A	335	VAL	0	-0.006	-0.010	25.617	-0.640	-0.640	0.000	0.000	0.000	0.000
331	A	336	SER	0	0.001	-0.012	26.187	0.219	0.219	0.000	0.000	0.000	0.000
332	A	337	SER	0	-0.030	-0.022	26.332	-0.566	-0.566	0.000	0.000	0.000	0.000
333	A	338	THR	0	0.082	0.034	26.004	0.378	0.378	0.000	0.000	0.000	0.000
334	A	339	LYS	1	0.799	0.905	24.104	12.988	12.988	0.000	0.000	0.000	0.000
335	A	340	SER	0	-0.039	-0.012	29.847	0.393	0.393	0.000	0.000	0.000	0.000
336	A	341	MET	0	-0.048	0.015	31.046	0.334	0.334	0.000	0.000	0.000	0.000
337	A	342	THR	0	-0.002	-0.021	29.149	0.165	0.165	0.000	0.000	0.000	0.000
338	A	343	GLY	0	0.063	0.035	31.850	0.128	0.128	0.000	0.000	0.000	0.000
339	A	344	HIS	0	-0.031	-0.043	24.881	-0.353	-0.353	0.000	0.000	0.000	0.000
340	A	345	LEU	0	-0.009	0.006	26.584	0.188	0.188	0.000	0.000	0.000	0.000
341	A	346	LEU	0	0.003	-0.007	26.201	-0.320	-0.320	0.000	0.000	0.000	0.000
342	A	347	GLY	0	0.029	0.030	22.588	-0.509	-0.509	0.000	0.000	0.000	0.000
343	A	348	GLY	0	0.007	-0.010	21.775	-0.744	-0.744	0.000	0.000	0.000	0.000
344	A	349	SER	0	-0.080	-0.043	23.320	-0.304	-0.304	0.000	0.000	0.000	0.000
345	A	350	GLY	0	0.102	0.035	19.295	-0.011	-0.011	0.000	0.000	0.000	0.000
346	A	351	GLY	0	-0.026	-0.008	18.953	-0.742	-0.742	0.000	0.000	0.000	0.000
347	A	352	ILE	0	0.026	0.004	20.398	-0.171	-0.171	0.000	0.000	0.000	0.000
348	A	353	GLU	-1	-0.781	-0.837	21.582	-12.742	-12.742	0.000	0.000	0.000	0.000
349	A	354	ALA	0	0.014	0.030	16.772	-0.176	-0.176	0.000	0.000	0.000	0.000
350	A	355	VAL	0	-0.021	-0.008	18.625	-0.076	-0.076	0.000	0.000	0.000	0.000
351	A	356	ALA	0	0.007	0.003	21.152	0.184	0.184	0.000	0.000	0.000	0.000
352	A	357	THR	0	-0.015	-0.028	18.201	0.315	0.315	0.000	0.000	0.000	0.000
353	A	358	VAL	0	-0.026	-0.017	16.591	-0.145	-0.145	0.000	0.000	0.000	0.000
354	A	359	MET	0	-0.008	0.005	19.273	0.052	0.052	0.000	0.000	0.000	0.000
355	A	360	ALA	0	0.003	0.000	22.602	0.303	0.303	0.000	0.000	0.000	0.000
356	A	361	ILE	0	-0.069	-0.026	16.692	0.229	0.229	0.000	0.000	0.000	0.000
357	A	362	ALA	0	-0.031	-0.011	20.724	0.100	0.100	0.000	0.000	0.000	0.000
358	A	363	GLU	-1	-0.900	-0.933	22.147	-10.738	-10.738	0.000	0.000	0.000	0.000
359	A	364	ASP	-1	-0.819	-0.876	24.400	-12.039	-12.039	0.000	0.000	0.000	0.000
360	A	365	LYS	1	0.898	0.935	26.118	10.384	10.384	0.000	0.000	0.000	0.000
361	A	366	VAL	0	0.010	0.013	25.557	-0.510	-0.510	0.000	0.000	0.000	0.000
362	A	367	PRO	0	0.009	0.004	26.566	0.502	0.502	0.000	0.000	0.000	0.000
363	A	368	PRO	0	0.031	0.024	29.482	-0.205	-0.205	0.000	0.000	0.000	0.000
364	A	369	THR	0	-0.052	-0.032	31.092	-0.411	-0.411	0.000	0.000	0.000	0.000
365	A	370	ILE	0	-0.011	-0.008	32.694	0.309	0.309	0.000	0.000	0.000	0.000
366	A	371	ASN	0	-0.063	-0.062	35.863	0.070	0.070	0.000	0.000	0.000	0.000
367	A	372	LEU	0	-0.048	0.007	34.293	0.116	0.116	0.000	0.000	0.000	0.000
368	A	373	GLU	-1	-0.866	-0.917	37.769	-7.348	-7.348	0.000	0.000	0.000	0.000
369	A	374	ASN	0	-0.070	-0.042	40.605	0.309	0.309	0.000	0.000	0.000	0.000
370	A	375	PRO	0	0.054	0.039	36.445	-0.004	-0.004	0.000	0.000	0.000	0.000
371	A	376	ASP	-1	-0.785	-0.884	36.390	-8.293	-8.293	0.000	0.000	0.000	0.000
372	A	377	PRO	0	-0.046	-0.027	37.503	-0.112	-0.112	0.000	0.000	0.000	0.000
373	A	378	GLU	-1	-0.919	-0.950	34.011	-9.251	-9.251	0.000	0.000	0.000	0.000
374	A	379	CYS	0	-0.112	-0.052	32.995	-0.418	-0.418	0.000	0.000	0.000	0.000
375	A	380	ASP	-1	-0.750	-0.835	33.355	-9.464	-9.464	0.000	0.000	0.000	0.000
376	A	381	LEU	0	0.001	0.000	28.096	-0.061	-0.061	0.000	0.000	0.000	0.000
377	A	382	ASP	-1	-0.762	-0.848	31.251	-9.550	-9.550	0.000	0.000	0.000	0.000
378	A	383	TYR	0	-0.041	-0.044	29.293	-0.267	-0.267	0.000	0.000	0.000	0.000
379	A	384	VAL	0	0.004	0.014	29.890	0.002	0.002	0.000	0.000	0.000	0.000
380	A	385	PRO	0	0.016	0.019	32.665	-0.003	-0.003	0.000	0.000	0.000	0.000
381	A	386	GLY	0	-0.009	0.008	35.817	0.133	0.133	0.000	0.000	0.000	0.000
382	A	387	GLN	0	0.004	-0.022	36.618	0.043	0.043	0.000	0.000	0.000	0.000
383	A	388	SER	0	-0.038	-0.015	31.957	-0.152	-0.152	0.000	0.000	0.000	0.000
384	A	389	ARG	1	0.823	0.877	31.726	10.009	10.009	0.000	0.000	0.000	0.000
385	A	390	ALA	0	-0.005	0.002	30.493	-0.326	-0.326	0.000	0.000	0.000	0.000
386	A	391	LEU	0	-0.058	-0.044	26.527	0.263	0.263	0.000	0.000	0.000	0.000
387	A	392	ILE	0	0.006	0.017	23.760	-0.128	-0.128	0.000	0.000	0.000	0.000
388	A	393	VAL	0	-0.012	-0.016	20.703	-0.192	-0.192	0.000	0.000	0.000	0.000
389	A	394	ASP	-1	-0.882	-0.948	19.168	-14.095	-14.095	0.000	0.000	0.000	0.000
390	A	395	VAL	0	-0.036	-0.032	15.272	-1.268	-1.268	0.000	0.000	0.000	0.000
391	A	396	ALA	0	0.003	0.009	17.147	0.981	0.981	0.000	0.000	0.000	0.000
392	A	397	LEU	0	-0.027	-0.014	15.463	-1.428	-1.428	0.000	0.000	0.000	0.000
393	A	398	SER	0	-0.023	0.002	16.806	0.916	0.916	0.000	0.000	0.000	0.000
394	A	399	ASN	0	0.000	-0.004	17.056	-2.008	-2.008	0.000	0.000	0.000	0.000
395	A	400	SER	0	0.010	0.015	18.405	0.369	0.369	0.000	0.000	0.000	0.000
396	A	401	PHE	0	-0.002	0.001	19.062	-0.690	-0.690	0.000	0.000	0.000	0.000
397	A	402	GLY	0	0.008	0.005	21.540	0.719	0.719	0.000	0.000	0.000	0.000
398	A	403	PHE	0	-0.020	-0.027	23.318	-0.092	-0.092	0.000	0.000	0.000	0.000
399	A	404	GLY	0	0.033	0.013	23.760	-0.316	-0.316	0.000	0.000	0.000	0.000
400	A	405	GLY	0	-0.001	0.008	23.191	-0.192	-0.192	0.000	0.000	0.000	0.000
401	A	406	HIS	0	-0.023	-0.007	18.709	-0.179	-0.179	0.000	0.000	0.000	0.000
402	A	407	ASN	0	0.003	0.007	18.828	0.520	0.520	0.000	0.000	0.000	0.000
403	A	408	VAL	0	-0.017	-0.025	13.648	-1.243	-1.243	0.000	0.000	0.000	0.000
404	A	409	THR	0	-0.009	-0.002	14.279	1.283	1.283	0.000	0.000	0.000	0.000
405	A	410	LEU	0	-0.054	-0.017	11.402	-2.334	-2.334	0.000	0.000	0.000	0.000
406	A	411	ALA	0	0.017	0.005	11.763	1.948	1.948	0.000	0.000	0.000	0.000
407	A	412	PHE	0	0.023	-0.001	11.925	-2.434	-2.434	0.000	0.000	0.000	0.000
408	A	413	LYS	1	0.935	0.977	10.243	24.575	24.575	0.000	0.000	0.000	0.000
409	A	414	LYS	1	0.884	0.930	14.919	13.152	13.152	0.000	0.000	0.000	0.000
410	A	415	TYR	0	-0.005	0.000	12.023	-1.412	-1.412	0.000	0.000	0.000	0.000
411	A	416	GLN	0	-0.024	-0.003	13.675	0.552	0.552	0.000	0.000	0.000	0.000

Top

Graph

Manual

About

Interactive mode: IFIE and PIEDA for fragment #1(A:6:LYS)