FMO DATABASE

FMODB ID: VQ291

Calculation Name: 4DIM-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 4DIM

Chain ID: A

ChEMBL ID:

UniProt ID: C7RDM8

Base Structure: X-ray

Registration Date: 2023-09-20

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	398
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-6740502.073122
FMO2-HF: Nuclear repulsion	6581654.215682
FMO2-HF: Total energy	-158847.85744
FMO2-MP2: Total energy	-159302.909827

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:3:ASP)

Summations of interaction energy for fragment #1(A:3:ASP)

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.
123.746	135.802	19.282	-14.653	-16.683	0.067

Interaction energy analysis for fragmet #1(A:3:ASP)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : -1 / q_Mulliken : -0.898 / q_NPA : -0.957

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	5	LYS	1	0.797	0.908	1.846	-95.109	-91.267	12.641	-8.406	-8.076	0.090
4	A	6	ARG	1	0.703	0.806	3.559	-32.179	-32.104	0.009	0.217	-0.302	0.003
5	A	7	LEU	0	-0.009	-0.002	6.733	-1.586	-1.586	0.000	0.000	0.000	0.000
6	A	8	LEU	0	0.000	0.010	8.384	-1.960	-1.960	0.000	0.000	0.000	0.000
7	A	9	ILE	0	-0.018	-0.008	11.129	-0.091	-0.091	0.000	0.000	0.000	0.000
8	A	10	LEU	0	0.014	0.005	14.033	-1.231	-1.231	0.000	0.000	0.000	0.000
9	A	11	GLY	0	0.017	0.017	17.666	-0.725	-0.725	0.000	0.000	0.000	0.000
10	A	12	ALA	0	0.036	0.034	17.928	0.991	0.991	0.000	0.000	0.000	0.000
11	A	13	GLY	0	0.023	0.005	19.993	-0.604	-0.604	0.000	0.000	0.000	0.000
12	A	14	ARG	1	0.873	0.909	21.422	-10.155	-10.155	0.000	0.000	0.000	0.000
13	A	15	GLY	0	0.019	0.022	22.168	0.211	0.211	0.000	0.000	0.000	0.000
14	A	16	GLN	0	0.027	-0.006	18.310	-0.044	-0.044	0.000	0.000	0.000	0.000
15	A	17	LEU	0	0.056	0.015	16.777	1.136	1.136	0.000	0.000	0.000	0.000
16	A	18	GLY	0	0.017	0.020	15.341	0.852	0.852	0.000	0.000	0.000	0.000
17	A	19	LEU	0	0.036	0.011	11.911	1.029	1.029	0.000	0.000	0.000	0.000
18	A	20	TYR	0	0.006	-0.026	11.259	2.194	2.194	0.000	0.000	0.000	0.000
19	A	21	LYS	1	0.839	0.911	10.647	-18.309	-18.309	0.000	0.000	0.000	0.000
20	A	22	ALA	0	0.025	0.014	10.202	1.333	1.333	0.000	0.000	0.000	0.000
21	A	23	ALA	0	0.024	0.004	6.939	2.646	2.646	0.000	0.000	0.000	0.000
22	A	24	LYS	1	0.838	0.912	5.636	-21.177	-21.177	0.000	0.000	0.000	0.000
23	A	25	GLU	-1	-0.845	-0.910	6.624	23.427	23.427	0.000	0.000	0.000	0.000
24	A	26	LEU	0	-0.072	-0.028	4.093	-0.973	-0.652	0.000	-0.036	-0.284	0.000
25	A	27	GLY	0	-0.006	0.004	2.330	4.799	6.504	2.871	-1.963	-2.612	-0.015
26	A	28	ILE	0	-0.027	-0.010	2.350	-1.921	2.378	3.599	-3.670	-4.227	-0.017
27	A	29	HIS	0	-0.021	-0.014	3.788	-8.955	-8.679	0.011	-0.073	-0.214	0.000
28	A	30	THR	0	-0.036	-0.052	6.985	-0.736	-0.736	0.000	0.000	0.000	0.000
29	A	31	ILE	0	-0.005	-0.006	9.683	-2.257	-2.257	0.000	0.000	0.000	0.000
30	A	32	ALA	0	0.022	0.007	12.762	-0.118	-0.118	0.000	0.000	0.000	0.000
31	A	33	GLY	0	0.036	0.015	15.841	-0.682	-0.682	0.000	0.000	0.000	0.000
32	A	34	THR	0	-0.054	-0.041	18.020	-0.423	-0.423	0.000	0.000	0.000	0.000
33	A	35	MET	0	0.082	0.050	21.393	-0.129	-0.129	0.000	0.000	0.000	0.000
34	A	36	PRO	0	-0.017	-0.030	24.240	0.327	0.327	0.000	0.000	0.000	0.000
35	A	37	ASN	0	-0.065	-0.018	25.935	0.153	0.153	0.000	0.000	0.000	0.000
36	A	38	ALA	0	0.030	0.016	22.287	0.004	0.004	0.000	0.000	0.000	0.000
37	A	39	HIS	0	0.017	0.008	20.916	-0.696	-0.696	0.000	0.000	0.000	0.000
38	A	40	LYS	1	1.019	0.998	21.182	-10.913	-10.913	0.000	0.000	0.000	0.000
39	A	41	PRO	0	0.022	0.003	19.922	0.527	0.527	0.000	0.000	0.000	0.000
40	A	42	CYS	0	-0.038	0.011	17.061	0.696	0.696	0.000	0.000	0.000	0.000
41	A	43	LEU	0	0.017	0.005	16.200	0.982	0.982	0.000	0.000	0.000	0.000
42	A	44	ASN	0	-0.051	-0.031	16.922	0.401	0.401	0.000	0.000	0.000	0.000
43	A	45	LEU	0	-0.021	-0.001	13.196	0.329	0.329	0.000	0.000	0.000	0.000
44	A	46	ALA	0	-0.001	0.019	12.130	1.829	1.829	0.000	0.000	0.000	0.000
45	A	47	ASP	-1	-0.817	-0.878	9.471	28.398	28.398	0.000	0.000	0.000	0.000
46	A	48	GLU	-1	-0.818	-0.856	12.446	22.066	22.066	0.000	0.000	0.000	0.000
47	A	49	ILE	0	-0.018	-0.014	14.810	0.160	0.160	0.000	0.000	0.000	0.000
48	A	50	SER	0	0.008	0.009	17.558	-0.722	-0.722	0.000	0.000	0.000	0.000
49	A	51	TYR	0	-0.018	-0.009	19.111	-0.009	-0.009	0.000	0.000	0.000	0.000
50	A	52	MET	0	-0.028	-0.010	18.121	-0.133	-0.133	0.000	0.000	0.000	0.000
51	A	53	ASP	-1	-0.805	-0.877	23.450	11.580	11.580	0.000	0.000	0.000	0.000
52	A	54	ILE	0	-0.022	-0.019	20.471	0.105	0.105	0.000	0.000	0.000	0.000
53	A	55	SER	0	-0.049	-0.028	23.042	0.134	0.134	0.000	0.000	0.000	0.000
54	A	56	ASN	0	-0.041	-0.012	25.892	-0.433	-0.433	0.000	0.000	0.000	0.000
55	A	57	PRO	0	0.040	0.019	24.098	0.367	0.367	0.000	0.000	0.000	0.000
56	A	58	ASP	-1	-0.803	-0.896	24.386	11.513	11.513	0.000	0.000	0.000	0.000
57	A	59	GLU	-1	-0.849	-0.923	24.934	11.988	11.988	0.000	0.000	0.000	0.000
58	A	60	VAL	0	-0.013	-0.019	19.803	0.420	0.420	0.000	0.000	0.000	0.000
59	A	61	GLU	-1	-0.769	-0.886	20.873	13.412	13.412	0.000	0.000	0.000	0.000
60	A	62	GLN	0	-0.089	-0.061	21.689	0.471	0.471	0.000	0.000	0.000	0.000
61	A	63	LYS	1	0.802	0.910	20.553	-13.325	-13.325	0.000	0.000	0.000	0.000
62	A	64	VAL	0	-0.003	-0.003	16.498	0.666	0.666	0.000	0.000	0.000	0.000
63	A	65	LYS	1	0.794	0.896	16.600	-14.884	-14.884	0.000	0.000	0.000	0.000
64	A	66	ASP	-1	-0.911	-0.957	17.581	15.594	15.594	0.000	0.000	0.000	0.000
65	A	67	LEU	0	-0.058	-0.016	14.249	0.464	0.464	0.000	0.000	0.000	0.000
66	A	68	ASN	0	-0.039	-0.020	10.752	0.422	0.422	0.000	0.000	0.000	0.000
67	A	69	LEU	0	-0.005	0.000	10.092	2.315	2.315	0.000	0.000	0.000	0.000
68	A	70	ASP	-1	-0.781	-0.885	6.282	44.814	44.814	0.000	0.000	0.000	0.000
69	A	71	GLY	0	0.020	-0.004	8.300	0.008	0.008	0.000	0.000	0.000	0.000
70	A	72	ALA	0	-0.023	-0.011	9.577	-0.715	-0.715	0.000	0.000	0.000	0.000
71	A	73	ALA	0	0.030	0.004	12.048	0.047	0.047	0.000	0.000	0.000	0.000
72	A	74	THR	0	-0.031	-0.022	13.829	-0.914	-0.914	0.000	0.000	0.000	0.000
73	A	75	CYS	0	-0.004	-0.007	16.953	0.573	0.573	0.000	0.000	0.000	0.000
74	A	76	CYS	0	-0.039	-0.003	18.791	-0.259	-0.259	0.000	0.000	0.000	0.000
75	A	77	LEU	0	-0.018	-0.007	22.167	-0.760	-0.760	0.000	0.000	0.000	0.000
76	A	78	ASP	-1	-0.712	-0.808	22.775	12.828	12.828	0.000	0.000	0.000	0.000
77	A	79	THR	0	-0.043	-0.026	24.562	0.000	0.000	0.000	0.000	0.000	0.000
78	A	80	GLY	0	0.093	0.051	21.700	-0.216	-0.216	0.000	0.000	0.000	0.000
79	A	81	ILE	0	-0.040	-0.014	20.839	0.670	0.670	0.000	0.000	0.000	0.000
80	A	82	VAL	0	0.029	0.009	21.988	0.372	0.372	0.000	0.000	0.000	0.000
81	A	83	SER	0	-0.015	-0.030	21.629	0.025	0.025	0.000	0.000	0.000	0.000
82	A	84	LEU	0	0.001	0.009	15.339	0.436	0.436	0.000	0.000	0.000	0.000
83	A	85	ALA	0	0.017	0.017	18.338	0.700	0.700	0.000	0.000	0.000	0.000
84	A	86	ARG	1	0.740	0.856	20.599	-11.925	-11.925	0.000	0.000	0.000	0.000
85	A	87	ILE	0	-0.004	-0.006	15.453	0.120	0.120	0.000	0.000	0.000	0.000
86	A	88	CYS	0	-0.071	-0.020	16.531	0.930	0.930	0.000	0.000	0.000	0.000
87	A	89	ASP	-1	-0.798	-0.902	17.540	14.435	14.435	0.000	0.000	0.000	0.000
88	A	90	LYS	1	0.743	0.859	20.477	-13.014	-13.014	0.000	0.000	0.000	0.000
89	A	91	GLU	-1	-0.822	-0.901	15.693	16.752	16.752	0.000	0.000	0.000	0.000
90	A	92	ASN	0	-0.101	-0.038	15.924	0.028	0.028	0.000	0.000	0.000	0.000
91	A	93	LEU	0	-0.005	0.017	11.405	1.395	1.395	0.000	0.000	0.000	0.000
92	A	94	VAL	0	-0.047	-0.026	12.204	-1.773	-1.773	0.000	0.000	0.000	0.000
93	A	95	GLY	0	0.043	0.007	13.877	0.865	0.865	0.000	0.000	0.000	0.000
94	A	96	LEU	0	-0.061	-0.020	16.646	-0.601	-0.601	0.000	0.000	0.000	0.000
95	A	97	ASN	0	0.036	0.002	20.049	0.409	0.409	0.000	0.000	0.000	0.000
96	A	98	GLU	-1	-0.834	-0.921	22.703	11.886	11.886	0.000	0.000	0.000	0.000
97	A	99	GLU	-1	-0.925	-0.955	25.089	10.972	10.972	0.000	0.000	0.000	0.000
98	A	100	ALA	0	0.042	0.029	24.925	-0.402	-0.402	0.000	0.000	0.000	0.000
99	A	101	ALA	0	-0.006	-0.004	23.940	-0.228	-0.228	0.000	0.000	0.000	0.000
100	A	102	ILE	0	-0.019	-0.014	25.981	-0.379	-0.379	0.000	0.000	0.000	0.000
101	A	103	MET	0	-0.069	-0.033	29.489	-0.380	-0.380	0.000	0.000	0.000	0.000
102	A	104	CYS	0	-0.065	-0.022	27.551	-0.142	-0.142	0.000	0.000	0.000	0.000
103	A	105	GLY	0	0.021	0.024	29.858	-0.211	-0.211	0.000	0.000	0.000	0.000
104	A	106	ASP	-1	-0.841	-0.908	31.324	8.443	8.443	0.000	0.000	0.000	0.000
105	A	107	LYS	1	0.874	0.901	34.479	-9.047	-9.047	0.000	0.000	0.000	0.000
106	A	108	TYR	0	-0.026	-0.001	36.682	-0.245	-0.245	0.000	0.000	0.000	0.000
107	A	109	LYS	1	0.909	0.931	34.623	-8.965	-8.965	0.000	0.000	0.000	0.000
108	A	110	MET	0	0.030	0.032	32.968	0.045	0.045	0.000	0.000	0.000	0.000
109	A	111	LYS	1	0.807	0.892	35.098	-8.169	-8.169	0.000	0.000	0.000	0.000
110	A	112	GLU	-1	-1.001	-0.992	38.310	8.061	8.061	0.000	0.000	0.000	0.000
111	A	113	ALA	0	0.020	0.003	34.544	-0.135	-0.135	0.000	0.000	0.000	0.000
112	A	114	PHE	0	0.028	-0.011	33.003	-0.035	-0.035	0.000	0.000	0.000	0.000
113	A	115	LYS	1	0.948	0.980	37.767	-7.463	-7.463	0.000	0.000	0.000	0.000
114	A	116	LYS	1	0.873	0.950	36.011	-9.041	-9.041	0.000	0.000	0.000	0.000
115	A	117	TYR	0	-0.024	-0.014	34.765	-0.053	-0.053	0.000	0.000	0.000	0.000
116	A	118	ASN	0	-0.048	-0.012	38.235	-0.003	-0.003	0.000	0.000	0.000	0.000
117	A	119	VAL	0	0.004	0.005	35.003	0.024	0.024	0.000	0.000	0.000	0.000
118	A	120	ASN	0	-0.022	-0.001	38.266	-0.212	-0.212	0.000	0.000	0.000	0.000
119	A	121	THR	0	-0.017	-0.021	38.392	0.167	0.167	0.000	0.000	0.000	0.000
120	A	122	ALA	0	0.004	0.024	40.250	-0.188	-0.188	0.000	0.000	0.000	0.000
121	A	123	ARG	1	0.870	0.937	42.624	-6.643	-6.643	0.000	0.000	0.000	0.000
122	A	124	HIS	0	0.012	-0.007	41.839	-0.106	-0.106	0.000	0.000	0.000	0.000
123	A	125	PHE	0	-0.017	-0.006	45.744	0.041	0.041	0.000	0.000	0.000	0.000
124	A	126	VAL	0	-0.026	-0.004	45.042	-0.033	-0.033	0.000	0.000	0.000	0.000
125	A	127	VAL	0	-0.005	0.013	48.021	-0.070	-0.070	0.000	0.000	0.000	0.000
126	A	128	ARG	1	0.906	0.907	48.916	-6.385	-6.385	0.000	0.000	0.000	0.000
127	A	129	ASN	0	-0.059	-0.034	54.135	-0.151	-0.151	0.000	0.000	0.000	0.000
128	A	130	GLU	-1	-0.707	-0.874	57.222	5.443	5.443	0.000	0.000	0.000	0.000
129	A	131	ASN	0	-0.059	-0.014	59.838	-0.021	-0.021	0.000	0.000	0.000	0.000
130	A	132	GLU	-1	-0.797	-0.901	53.935	6.031	6.031	0.000	0.000	0.000	0.000
131	A	133	LEU	0	0.015	0.012	54.359	0.100	0.100	0.000	0.000	0.000	0.000
132	A	134	LYS	1	0.833	0.913	55.412	-5.296	-5.296	0.000	0.000	0.000	0.000
133	A	135	ASN	0	-0.004	0.002	53.839	0.009	0.009	0.000	0.000	0.000	0.000
134	A	136	ALA	0	-0.019	-0.006	51.497	0.093	0.093	0.000	0.000	0.000	0.000
135	A	137	LEU	0	-0.020	-0.018	52.392	0.106	0.106	0.000	0.000	0.000	0.000
136	A	138	GLU	-1	-0.963	-0.972	54.531	5.706	5.706	0.000	0.000	0.000	0.000
137	A	139	ASN	0	-0.094	-0.043	50.540	0.105	0.105	0.000	0.000	0.000	0.000
138	A	140	LEU	0	-0.048	-0.030	48.346	0.210	0.210	0.000	0.000	0.000	0.000
139	A	141	LYS	1	0.856	0.918	45.867	-7.084	-7.084	0.000	0.000	0.000	0.000
140	A	142	LEU	0	0.016	0.020	51.090	0.069	0.069	0.000	0.000	0.000	0.000
141	A	143	PRO	0	0.007	0.001	50.996	-0.013	-0.013	0.000	0.000	0.000	0.000
142	A	144	VAL	0	-0.007	0.001	50.164	0.115	0.115	0.000	0.000	0.000	0.000
143	A	145	ILE	0	-0.024	-0.005	46.522	-0.068	-0.068	0.000	0.000	0.000	0.000
144	A	146	VAL	0	0.004	0.005	49.508	0.037	0.037	0.000	0.000	0.000	0.000
145	A	147	LYS	1	0.888	0.932	42.614	-7.458	-7.458	0.000	0.000	0.000	0.000
146	A	148	ALA	0	0.094	0.056	48.095	-0.019	-0.019	0.000	0.000	0.000	0.000
147	A	149	THR	0	0.009	-0.008	43.678	0.123	0.123	0.000	0.000	0.000	0.000
148	A	150	ASP	-1	-0.807	-0.859	43.590	6.860	6.860	0.000	0.000	0.000	0.000
149	A	151	LEU	0	-0.015	0.007	45.262	-0.001	-0.001	0.000	0.000	0.000	0.000
150	A	152	GLN	0	0.032	0.006	41.474	0.115	0.115	0.000	0.000	0.000	0.000
151	A	153	GLY	0	0.065	0.044	44.110	-0.061	-0.061	0.000	0.000	0.000	0.000
152	A	154	SER	0	0.013	-0.014	45.004	-0.111	-0.111	0.000	0.000	0.000	0.000
153	A	155	LYS	1	0.889	0.962	47.051	-6.770	-6.770	0.000	0.000	0.000	0.000
154	A	156	GLY	0	0.019	-0.011	47.596	-0.027	-0.027	0.000	0.000	0.000	0.000
155	A	157	ILE	0	-0.059	-0.029	45.772	0.113	0.113	0.000	0.000	0.000	0.000
156	A	158	TYR	0	-0.022	-0.027	49.019	-0.030	-0.030	0.000	0.000	0.000	0.000
157	A	159	ILE	0	-0.013	-0.003	49.466	0.035	0.035	0.000	0.000	0.000	0.000
158	A	160	ALA	0	-0.015	-0.001	52.281	-0.130	-0.130	0.000	0.000	0.000	0.000
159	A	161	LYS	1	0.861	0.898	54.604	-5.614	-5.614	0.000	0.000	0.000	0.000
160	A	162	LYS	1	0.847	0.918	56.605	-5.296	-5.296	0.000	0.000	0.000	0.000
161	A	163	GLU	-1	-0.788	-0.910	58.939	5.537	5.537	0.000	0.000	0.000	0.000
162	A	164	GLU	-1	-0.901	-0.967	60.361	5.172	5.172	0.000	0.000	0.000	0.000
163	A	165	GLU	-1	-0.773	-0.864	57.727	5.579	5.579	0.000	0.000	0.000	0.000
164	A	166	ALA	0	0.013	0.019	56.121	0.088	0.088	0.000	0.000	0.000	0.000
165	A	167	ILE	0	0.006	-0.004	56.894	0.058	0.058	0.000	0.000	0.000	0.000
166	A	168	ASP	-1	-0.943	-0.947	59.530	5.376	5.376	0.000	0.000	0.000	0.000
167	A	169	GLY	0	0.076	0.034	55.665	0.026	0.026	0.000	0.000	0.000	0.000
168	A	170	PHE	0	-0.052	-0.009	54.182	0.096	0.096	0.000	0.000	0.000	0.000
169	A	171	ASN	0	-0.059	-0.052	56.013	0.003	0.003	0.000	0.000	0.000	0.000
170	A	172	GLU	-1	-0.849	-0.886	56.538	5.628	5.628	0.000	0.000	0.000	0.000
171	A	173	THR	0	-0.045	-0.043	51.122	0.096	0.096	0.000	0.000	0.000	0.000
172	A	174	MET	0	-0.053	-0.039	53.792	0.129	0.129	0.000	0.000	0.000	0.000
173	A	175	ASN	0	-0.100	-0.047	55.612	-0.103	-0.103	0.000	0.000	0.000	0.000
174	A	176	LEU	0	-0.039	0.000	52.236	-0.014	-0.014	0.000	0.000	0.000	0.000
175	A	177	THR	0	-0.072	-0.053	49.424	0.115	0.115	0.000	0.000	0.000	0.000
176	A	178	LYS	1	0.856	0.902	47.921	-6.756	-6.756	0.000	0.000	0.000	0.000
177	A	179	ARG	1	0.780	0.894	43.481	-7.120	-7.120	0.000	0.000	0.000	0.000
178	A	180	ASP	-1	-0.793	-0.876	50.625	6.234	6.234	0.000	0.000	0.000	0.000
179	A	181	TYR	0	-0.057	-0.028	44.394	-0.038	-0.038	0.000	0.000	0.000	0.000
180	A	182	CYS	0	0.007	0.008	49.572	0.016	0.016	0.000	0.000	0.000	0.000
181	A	183	ILE	0	-0.045	-0.025	43.571	0.071	0.071	0.000	0.000	0.000	0.000
182	A	184	VAL	0	0.011	0.015	47.925	-0.091	-0.091	0.000	0.000	0.000	0.000
183	A	185	GLU	-1	-0.815	-0.930	42.234	7.804	7.804	0.000	0.000	0.000	0.000
184	A	186	GLU	-1	-0.773	-0.850	46.108	6.861	6.861	0.000	0.000	0.000	0.000
185	A	187	PHE	0	-0.023	-0.014	46.014	0.174	0.174	0.000	0.000	0.000	0.000
186	A	188	ILE	0	-0.043	-0.031	43.212	-0.093	-0.093	0.000	0.000	0.000	0.000
187	A	189	GLU	-1	-0.802	-0.886	44.612	6.712	6.712	0.000	0.000	0.000	0.000
188	A	190	GLY	0	0.003	-0.024	44.673	-0.072	-0.072	0.000	0.000	0.000	0.000
189	A	191	TYR	0	-0.042	-0.012	38.999	0.042	0.042	0.000	0.000	0.000	0.000
190	A	192	GLU	-1	-0.904	-0.959	38.496	8.091	8.091	0.000	0.000	0.000	0.000
191	A	193	PHE	0	-0.072	-0.037	34.316	-0.028	-0.028	0.000	0.000	0.000	0.000
192	A	194	GLY	0	0.094	0.052	31.751	0.008	0.008	0.000	0.000	0.000	0.000
193	A	195	ALA	0	-0.037	-0.023	29.643	-0.087	-0.087	0.000	0.000	0.000	0.000
194	A	196	GLN	0	0.027	0.016	23.937	0.809	0.809	0.000	0.000	0.000	0.000
195	A	197	ALA	0	-0.008	-0.017	24.127	-0.348	-0.348	0.000	0.000	0.000	0.000
196	A	198	PHE	0	0.007	-0.004	14.719	0.558	0.558	0.000	0.000	0.000	0.000
197	A	199	VAL	0	-0.030	-0.001	20.126	-0.578	-0.578	0.000	0.000	0.000	0.000
198	A	200	TYR	0	0.037	-0.007	12.013	0.285	0.285	0.000	0.000	0.000	0.000
199	A	201	LYS	1	0.957	0.989	14.039	-21.659	-21.659	0.000	0.000	0.000	0.000
200	A	202	ASN	0	-0.027	-0.034	19.285	-1.254	-1.254	0.000	0.000	0.000	0.000
201	A	203	ASP	-1	-0.917	-0.926	21.399	13.031	13.031	0.000	0.000	0.000	0.000
202	A	204	VAL	0	-0.007	-0.013	21.636	0.634	0.634	0.000	0.000	0.000	0.000
203	A	205	LEU	0	-0.026	-0.006	17.751	-0.606	-0.606	0.000	0.000	0.000	0.000
204	A	206	PHE	0	-0.027	-0.017	20.226	-0.453	-0.453	0.000	0.000	0.000	0.000
205	A	207	VAL	0	-0.002	-0.012	24.907	0.165	0.165	0.000	0.000	0.000	0.000
206	A	208	MET	0	-0.053	-0.006	25.886	-0.101	-0.101	0.000	0.000	0.000	0.000
207	A	209	PRO	0	0.006	-0.002	28.030	0.141	0.141	0.000	0.000	0.000	0.000
208	A	210	HIS	0	-0.003	0.003	28.293	0.460	0.460	0.000	0.000	0.000	0.000
209	A	211	GLY	0	0.036	0.017	31.498	-0.225	-0.225	0.000	0.000	0.000	0.000
210	A	212	ASP	-1	-0.807	-0.891	32.322	10.150	10.150	0.000	0.000	0.000	0.000
211	A	213	GLU	-1	-0.812	-0.871	34.708	8.406	8.406	0.000	0.000	0.000	0.000
212	A	214	THR	0	0.017	-0.011	35.654	0.202	0.202	0.000	0.000	0.000	0.000
213	A	215	TYR	0	0.018	0.009	38.101	-0.246	-0.246	0.000	0.000	0.000	0.000
214	A	216	MET	0	-0.030	-0.003	40.466	0.094	0.094	0.000	0.000	0.000	0.000
215	A	217	SER	0	-0.041	-0.023	40.989	-0.093	-0.093	0.000	0.000	0.000	0.000
216	A	218	HIS	0	-0.015	-0.016	42.894	-0.113	-0.113	0.000	0.000	0.000	0.000
217	A	219	THR	0	-0.035	-0.027	39.282	-0.089	-0.089	0.000	0.000	0.000	0.000
218	A	220	ALA	0	0.045	0.021	40.060	-0.042	-0.042	0.000	0.000	0.000	0.000
219	A	221	VAL	0	-0.021	-0.002	35.548	0.256	0.256	0.000	0.000	0.000	0.000
220	A	222	PRO	0	0.008	-0.001	32.596	-0.092	-0.092	0.000	0.000	0.000	0.000
221	A	223	VAL	0	-0.041	-0.024	33.634	0.119	0.119	0.000	0.000	0.000	0.000
222	A	224	GLY	0	0.026	0.014	32.073	0.083	0.083	0.000	0.000	0.000	0.000
223	A	225	HIS	0	-0.019	-0.011	29.338	0.002	0.002	0.000	0.000	0.000	0.000
224	A	226	TYR	0	-0.007	-0.004	30.921	0.051	0.051	0.000	0.000	0.000	0.000
225	A	227	VAL	0	0.018	0.025	27.711	0.006	0.006	0.000	0.000	0.000	0.000
226	A	228	PRO	0	0.040	0.003	31.035	-0.006	-0.006	0.000	0.000	0.000	0.000
227	A	229	LEU	0	-0.012	-0.007	32.705	-0.153	-0.153	0.000	0.000	0.000	0.000
228	A	230	ASP	-1	-0.936	-0.961	35.073	7.760	7.760	0.000	0.000	0.000	0.000
229	A	231	VAL	0	-0.009	-0.009	37.438	-0.212	-0.212	0.000	0.000	0.000	0.000
230	A	232	LYS	1	0.936	0.961	39.421	-7.044	-7.044	0.000	0.000	0.000	0.000
231	A	233	ASP	-1	-0.825	-0.922	37.950	8.265	8.265	0.000	0.000	0.000	0.000
232	A	234	ASP	-1	-0.859	-0.921	38.050	7.810	7.810	0.000	0.000	0.000	0.000
233	A	235	ILE	0	0.034	0.020	38.135	0.098	0.098	0.000	0.000	0.000	0.000
234	A	236	ILE	0	0.017	0.034	33.152	0.267	0.267	0.000	0.000	0.000	0.000
235	A	237	GLU	-1	-0.790	-0.896	34.364	9.833	9.833	0.000	0.000	0.000	0.000
236	A	238	LYS	1	0.827	0.922	35.519	-7.396	-7.396	0.000	0.000	0.000	0.000
237	A	239	THR	0	0.010	-0.007	32.356	0.113	0.113	0.000	0.000	0.000	0.000
238	A	240	LYS	1	0.780	0.863	30.377	-9.689	-9.689	0.000	0.000	0.000	0.000
239	A	241	THR	0	-0.054	-0.027	31.436	0.290	0.290	0.000	0.000	0.000	0.000
240	A	242	GLU	-1	-0.776	-0.873	33.533	8.839	8.839	0.000	0.000	0.000	0.000
241	A	243	VAL	0	0.040	0.024	28.273	0.147	0.147	0.000	0.000	0.000	0.000
242	A	244	LYS	1	0.874	0.937	26.734	-11.368	-11.368	0.000	0.000	0.000	0.000
243	A	245	LYS	1	0.765	0.863	30.018	-8.425	-8.425	0.000	0.000	0.000	0.000
244	A	246	ALA	0	0.020	0.010	31.218	0.030	0.030	0.000	0.000	0.000	0.000
245	A	247	ILE	0	0.018	0.002	25.121	0.117	0.117	0.000	0.000	0.000	0.000
246	A	248	LYS	1	0.895	0.938	27.302	-11.413	-11.413	0.000	0.000	0.000	0.000
247	A	249	ALA	0	-0.077	-0.031	29.503	-0.050	-0.050	0.000	0.000	0.000	0.000
248	A	250	LEU	0	-0.014	-0.011	29.266	-0.239	-0.239	0.000	0.000	0.000	0.000
249	A	251	GLY	0	0.001	0.009	27.765	0.204	0.204	0.000	0.000	0.000	0.000
250	A	252	LEU	0	-0.021	0.000	23.701	0.532	0.532	0.000	0.000	0.000	0.000
251	A	253	ASN	0	-0.008	-0.027	20.488	0.228	0.228	0.000	0.000	0.000	0.000
252	A	254	ASN	0	-0.024	-0.014	15.904	0.468	0.468	0.000	0.000	0.000	0.000
253	A	255	CYS	0	0.004	-0.002	16.731	0.503	0.503	0.000	0.000	0.000	0.000
254	A	256	ALA	0	0.017	0.010	17.906	-0.413	-0.413	0.000	0.000	0.000	0.000
255	A	257	VAL	0	-0.060	-0.031	19.460	-0.189	-0.189	0.000	0.000	0.000	0.000
256	A	258	ASN	0	0.044	0.037	23.190	0.044	0.044	0.000	0.000	0.000	0.000
257	A	259	VAL	0	-0.046	-0.041	25.961	-0.128	-0.128	0.000	0.000	0.000	0.000
258	A	260	ASP	-1	-0.824	-0.893	29.646	10.272	10.272	0.000	0.000	0.000	0.000
259	A	261	MET	0	-0.065	-0.033	32.823	-0.050	-0.050	0.000	0.000	0.000	0.000
260	A	262	ILE	0	0.012	0.012	35.723	-0.135	-0.135	0.000	0.000	0.000	0.000
261	A	263	LEU	0	-0.025	-0.001	39.456	-0.024	-0.024	0.000	0.000	0.000	0.000
262	A	264	LYS	1	0.863	0.920	41.735	-6.803	-6.803	0.000	0.000	0.000	0.000
263	A	265	ASP	-1	-0.895	-0.957	45.323	6.655	6.655	0.000	0.000	0.000	0.000
264	A	266	ASN	0	-0.090	-0.042	44.846	0.024	0.024	0.000	0.000	0.000	0.000
265	A	267	GLU	-1	-0.840	-0.930	42.094	7.789	7.789	0.000	0.000	0.000	0.000
266	A	268	VAL	0	-0.018	0.000	37.435	-0.026	-0.026	0.000	0.000	0.000	0.000
267	A	269	TYR	0	-0.015	-0.017	39.125	-0.049	-0.049	0.000	0.000	0.000	0.000
268	A	270	ILE	0	0.025	0.006	32.894	0.107	0.107	0.000	0.000	0.000	0.000
269	A	271	ILE	0	-0.056	-0.013	35.435	-0.246	-0.246	0.000	0.000	0.000	0.000
270	A	272	GLU	-1	-0.777	-0.878	31.672	9.197	9.197	0.000	0.000	0.000	0.000
271	A	273	LEU	0	-0.017	-0.016	27.095	0.085	0.085	0.000	0.000	0.000	0.000
272	A	274	THR	0	-0.004	-0.025	25.033	0.092	0.092	0.000	0.000	0.000	0.000
273	A	275	GLY	0	0.060	0.018	22.510	0.148	0.148	0.000	0.000	0.000	0.000
274	A	276	ARG	1	0.748	0.840	19.978	-11.944	-11.944	0.000	0.000	0.000	0.000
275	A	277	VAL	0	0.013	0.015	18.889	-0.499	-0.499	0.000	0.000	0.000	0.000
276	A	278	GLY	0	0.091	0.035	21.338	-0.176	-0.176	0.000	0.000	0.000	0.000
277	A	279	ALA	0	-0.011	-0.009	23.190	0.561	0.561	0.000	0.000	0.000	0.000
278	A	280	ASN	0	-0.044	-0.034	25.314	0.175	0.175	0.000	0.000	0.000	0.000
279	A	281	CYS	0	0.027	0.022	23.776	-0.477	-0.477	0.000	0.000	0.000	0.000
280	A	282	LEU	0	0.016	0.020	24.473	0.129	0.129	0.000	0.000	0.000	0.000
281	A	283	PRO	0	-0.014	-0.013	19.056	0.151	0.151	0.000	0.000	0.000	0.000
282	A	284	GLU	-1	-0.745	-0.863	20.033	15.147	15.147	0.000	0.000	0.000	0.000
283	A	285	LEU	0	-0.014	0.001	21.517	-0.167	-0.167	0.000	0.000	0.000	0.000
284	A	286	VAL	0	-0.024	-0.011	20.558	-0.283	-0.283	0.000	0.000	0.000	0.000
285	A	287	GLU	-1	-0.901	-0.952	16.114	18.373	18.373	0.000	0.000	0.000	0.000
286	A	288	ILE	0	-0.026	-0.014	20.343	-0.103	-0.103	0.000	0.000	0.000	0.000
287	A	289	ASN	0	-0.015	-0.008	23.778	-0.478	-0.478	0.000	0.000	0.000	0.000
288	A	290	TYR	0	0.014	-0.011	21.665	-0.437	-0.437	0.000	0.000	0.000	0.000
289	A	291	GLY	0	0.037	0.034	21.324	0.081	0.081	0.000	0.000	0.000	0.000
290	A	292	ILE	0	-0.064	-0.031	17.021	0.371	0.371	0.000	0.000	0.000	0.000
291	A	293	GLU	-1	-0.802	-0.883	12.142	22.003	22.003	0.000	0.000	0.000	0.000
292	A	294	TYR	0	-0.002	-0.015	13.483	1.574	1.574	0.000	0.000	0.000	0.000
293	A	295	TYR	0	-0.036	-0.061	13.252	1.040	1.040	0.000	0.000	0.000	0.000
294	A	296	LYS	1	0.797	0.888	9.118	-22.781	-22.781	0.000	0.000	0.000	0.000
295	A	297	MET	0	-0.090	-0.001	9.927	2.232	2.232	0.000	0.000	0.000	0.000
296	A	298	ILE	0	0.007	-0.002	12.068	1.002	1.002	0.000	0.000	0.000	0.000
297	A	299	ALA	0	0.012	0.008	8.155	0.688	0.688	0.000	0.000	0.000	0.000
298	A	300	SER	0	-0.001	-0.028	6.904	2.687	2.687	0.000	0.000	0.000	0.000
299	A	301	MET	0	-0.064	-0.001	7.926	1.075	1.075	0.000	0.000	0.000	0.000
300	A	302	ALA	0	0.029	0.016	9.592	-0.344	-0.344	0.000	0.000	0.000	0.000
301	A	303	ILE	0	-0.023	0.005	3.268	-3.266	-1.866	0.152	-0.715	-0.838	0.006
302	A	304	SER	0	0.002	-0.013	6.897	3.059	3.059	0.000	0.000	0.000	0.000
303	A	305	GLU	-1	-0.844	-0.883	4.656	44.064	44.202	-0.001	-0.007	-0.130	0.000
304	A	306	ASN	0	-0.006	-0.012	8.109	-5.692	-5.692	0.000	0.000	0.000	0.000
305	A	307	PRO	0	0.056	0.036	10.681	0.122	0.122	0.000	0.000	0.000	0.000
306	A	308	LEU	0	0.001	-0.011	12.475	-1.284	-1.284	0.000	0.000	0.000	0.000
307	A	309	VAL	0	-0.027	0.004	9.540	-1.566	-1.566	0.000	0.000	0.000	0.000
308	A	310	PHE	0	0.043	0.015	7.546	-0.863	-0.863	0.000	0.000	0.000	0.000
309	A	311	TRP	0	0.044	0.017	13.600	-1.469	-1.469	0.000	0.000	0.000	0.000
310	A	312	SER	0	-0.086	-0.060	15.692	-1.075	-1.075	0.000	0.000	0.000	0.000
311	A	313	GLN	0	-0.066	-0.032	14.756	-1.165	-1.165	0.000	0.000	0.000	0.000
312	A	314	LYS	1	0.804	0.945	17.955	-13.804	-13.804	0.000	0.000	0.000	0.000
313	A	315	SER	0	-0.002	0.006	20.580	-0.498	-0.498	0.000	0.000	0.000	0.000
314	A	316	LYS	1	0.890	0.930	23.935	-11.832	-11.832	0.000	0.000	0.000	0.000
315	A	317	GLU	-1	-0.939	-0.965	27.191	10.007	10.007	0.000	0.000	0.000	0.000
316	A	318	ASN	0	-0.031	-0.031	27.004	0.694	0.694	0.000	0.000	0.000	0.000
317	A	319	LYS	1	0.782	0.932	27.662	-10.446	-10.446	0.000	0.000	0.000	0.000
318	A	320	ALA	0	0.028	0.024	28.578	0.246	0.246	0.000	0.000	0.000	0.000
319	A	321	GLY	0	0.048	-0.001	28.777	0.223	0.223	0.000	0.000	0.000	0.000
320	A	322	LEU	0	-0.073	-0.021	29.857	-0.179	-0.179	0.000	0.000	0.000	0.000
321	A	323	ALA	0	0.008	0.011	27.823	0.200	0.200	0.000	0.000	0.000	0.000
322	A	324	ARG	1	0.779	0.851	29.892	-8.755	-8.755	0.000	0.000	0.000	0.000
323	A	325	MET	0	-0.009	-0.006	27.966	0.247	0.247	0.000	0.000	0.000	0.000
324	A	326	ILE	0	-0.027	-0.006	32.297	-0.320	-0.320	0.000	0.000	0.000	0.000
325	A	327	ILE	0	0.000	-0.010	34.555	0.107	0.107	0.000	0.000	0.000	0.000
326	A	328	GLU	-1	-0.831	-0.927	37.424	7.172	7.172	0.000	0.000	0.000	0.000
327	A	329	THR	0	0.043	0.016	40.900	0.057	0.057	0.000	0.000	0.000	0.000
328	A	330	GLU	-1	-0.903	-0.943	43.936	6.447	6.447	0.000	0.000	0.000	0.000
329	A	331	LYS	1	0.906	0.977	44.125	-7.203	-7.203	0.000	0.000	0.000	0.000
330	A	332	SER	0	-0.014	-0.027	43.628	0.151	0.151	0.000	0.000	0.000	0.000
331	A	333	GLY	0	-0.012	-0.006	43.199	-0.201	-0.201	0.000	0.000	0.000	0.000
332	A	334	ILE	0	0.009	0.021	41.079	0.147	0.147	0.000	0.000	0.000	0.000
333	A	335	LEU	0	-0.023	-0.004	35.749	-0.197	-0.197	0.000	0.000	0.000	0.000
334	A	336	LYS	1	0.790	0.890	39.927	-7.495	-7.495	0.000	0.000	0.000	0.000
335	A	337	GLU	-1	-0.816	-0.925	37.487	7.661	7.661	0.000	0.000	0.000	0.000
336	A	338	ILE	0	0.017	0.014	33.593	-0.187	-0.187	0.000	0.000	0.000	0.000
337	A	339	LEU	0	-0.037	-0.003	35.897	0.151	0.151	0.000	0.000	0.000	0.000
338	A	340	ASN	0	0.082	0.024	32.191	-0.166	-0.166	0.000	0.000	0.000	0.000
339	A	341	SER	0	-0.047	-0.030	35.946	0.112	0.112	0.000	0.000	0.000	0.000
340	A	342	ASN	0	-0.011	0.000	34.245	-0.179	-0.179	0.000	0.000	0.000	0.000
341	A	343	ALA	0	0.004	-0.001	34.674	0.104	0.104	0.000	0.000	0.000	0.000
342	A	344	LYS	1	0.844	0.909	29.676	-9.181	-9.181	0.000	0.000	0.000	0.000
343	A	345	ASP	-1	-0.755	-0.882	29.913	9.363	9.363	0.000	0.000	0.000	0.000
344	A	346	ASP	-1	-0.860	-0.917	25.985	11.259	11.259	0.000	0.000	0.000	0.000
345	A	347	ASP	-1	-0.826	-0.893	26.721	10.778	10.778	0.000	0.000	0.000	0.000
346	A	348	ILE	0	-0.058	-0.026	28.815	-0.078	-0.078	0.000	0.000	0.000	0.000
347	A	349	VAL	0	-0.022	-0.008	23.050	0.227	0.227	0.000	0.000	0.000	0.000
348	A	350	GLU	-1	-0.824	-0.885	23.380	12.970	12.970	0.000	0.000	0.000	0.000
349	A	351	ILE	0	0.004	0.000	25.876	-0.490	-0.490	0.000	0.000	0.000	0.000
350	A	352	THR	0	-0.076	-0.046	24.060	0.140	0.140	0.000	0.000	0.000	0.000
351	A	353	PHE	0	0.016	-0.016	27.561	-0.341	-0.341	0.000	0.000	0.000	0.000
352	A	354	PHE	0	-0.090	-0.051	26.119	0.362	0.362	0.000	0.000	0.000	0.000
353	A	355	LYS	1	0.871	0.959	29.535	-9.065	-9.065	0.000	0.000	0.000	0.000
354	A	356	GLU	-1	-0.944	-0.971	30.255	10.042	10.042	0.000	0.000	0.000	0.000
355	A	357	GLU	-1	-0.923	-0.967	33.833	7.651	7.651	0.000	0.000	0.000	0.000
356	A	358	ASN	0	-0.112	-0.079	36.694	-0.110	-0.110	0.000	0.000	0.000	0.000
357	A	359	ASP	-1	-0.827	-0.896	33.658	9.070	9.070	0.000	0.000	0.000	0.000
358	A	360	GLU	-1	-0.958	-0.988	37.068	7.427	7.427	0.000	0.000	0.000	0.000
359	A	361	ILE	0	-0.057	-0.023	37.544	0.252	0.252	0.000	0.000	0.000	0.000
360	A	362	LYS	1	0.820	0.883	38.764	-8.159	-8.159	0.000	0.000	0.000	0.000
361	A	363	LYS	1	0.797	0.892	40.459	-6.641	-6.641	0.000	0.000	0.000	0.000
362	A	364	PHE	0	-0.048	-0.026	35.351	0.062	0.062	0.000	0.000	0.000	0.000
363	A	365	GLU	-1	-0.854	-0.920	39.771	7.369	7.369	0.000	0.000	0.000	0.000
364	A	366	ASN	0	-0.015	-0.003	35.513	0.284	0.284	0.000	0.000	0.000	0.000
365	A	367	SER	0	0.118	0.056	31.612	-0.044	-0.044	0.000	0.000	0.000	0.000
366	A	368	ASN	0	-0.035	-0.018	31.285	0.512	0.512	0.000	0.000	0.000	0.000
367	A	369	ASP	-1	-0.735	-0.855	32.923	8.443	8.443	0.000	0.000	0.000	0.000
368	A	370	CYS	0	-0.094	-0.039	31.760	-0.125	-0.125	0.000	0.000	0.000	0.000
369	A	371	ILE	0	0.037	0.008	32.957	0.129	0.129	0.000	0.000	0.000	0.000
370	A	372	GLY	0	0.018	0.000	29.958	0.130	0.130	0.000	0.000	0.000	0.000
371	A	373	GLN	0	-0.056	-0.020	23.895	-0.340	-0.340	0.000	0.000	0.000	0.000
372	A	374	ILE	0	0.025	0.009	29.234	0.020	0.020	0.000	0.000	0.000	0.000
373	A	375	ILE	0	-0.006	-0.004	23.981	-0.019	-0.019	0.000	0.000	0.000	0.000
374	A	376	VAL	0	-0.039	-0.016	27.989	0.021	0.021	0.000	0.000	0.000	0.000
375	A	377	LYS	1	0.839	0.898	24.590	-11.360	-11.360	0.000	0.000	0.000	0.000
376	A	378	GLU	-1	-0.823	-0.955	29.288	9.140	9.140	0.000	0.000	0.000	0.000
377	A	379	GLU	-1	-0.884	-0.944	32.183	8.602	8.602	0.000	0.000	0.000	0.000
378	A	380	THR	0	-0.005	-0.011	34.029	-0.014	-0.014	0.000	0.000	0.000	0.000
379	A	381	LEU	0	0.098	0.049	34.242	0.040	0.040	0.000	0.000	0.000	0.000
380	A	382	ASP	-1	-0.863	-0.921	35.986	7.806	7.806	0.000	0.000	0.000	0.000
381	A	383	LYS	1	0.913	0.948	36.670	-8.162	-8.162	0.000	0.000	0.000	0.000
382	A	384	CYS	0	-0.060	-0.011	33.042	0.177	0.177	0.000	0.000	0.000	0.000
383	A	385	LYS	1	0.880	0.924	35.062	-7.824	-7.824	0.000	0.000	0.000	0.000
384	A	386	ASP	-1	-0.892	-0.936	37.964	7.598	7.598	0.000	0.000	0.000	0.000
385	A	387	LYS	1	0.817	0.906	32.935	-9.323	-9.323	0.000	0.000	0.000	0.000
386	A	388	LEU	0	-0.005	-0.002	32.631	0.041	0.041	0.000	0.000	0.000	0.000
387	A	389	ASP	-1	-0.812	-0.912	35.798	7.827	7.827	0.000	0.000	0.000	0.000
388	A	390	VAL	0	-0.045	-0.017	38.689	-0.165	-0.165	0.000	0.000	0.000	0.000
389	A	391	ILE	0	0.007	0.014	32.427	-0.052	-0.052	0.000	0.000	0.000	0.000
390	A	392	ILE	0	0.023	0.006	35.958	-0.025	-0.025	0.000	0.000	0.000	0.000
391	A	393	ASN	0	-0.086	-0.053	38.207	-0.224	-0.224	0.000	0.000	0.000	0.000
392	A	394	ASN	0	-0.067	-0.015	38.301	-0.255	-0.255	0.000	0.000	0.000	0.000
393	A	395	ILE	0	-0.018	0.001	34.439	0.188	0.188	0.000	0.000	0.000	0.000
394	A	396	ASN	0	-0.029	-0.021	38.308	-0.221	-0.221	0.000	0.000	0.000	0.000
395	A	397	ILE	0	0.061	0.039	38.100	0.149	0.149	0.000	0.000	0.000	0.000
396	A	398	ILE	0	-0.053	-0.018	40.479	-0.265	-0.265	0.000	0.000	0.000	0.000
397	A	399	LEU	0	0.033	0.016	41.698	0.126	0.126	0.000	0.000	0.000	0.000
398	A	400	LYS	1	0.955	0.984	43.728	-6.547	-6.547	0.000	0.000	0.000	0.000

Top

Graph

Manual

About

Interactive mode: IFIE and PIEDA for fragment #1(A:3:ASP)