FMO DATABASE

FMODB ID: 37JRL

Calculation Name: 2WN5-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 2WN5

Chain ID: A

ChEMBL ID:

UniProt ID: Q9KH42

Base Structure: X-ray

Registration Date: 2023-09-27

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

DOI:

IFIE MAP

IFIE Diagram

Modeling method

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

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	397
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-6980197.803665
FMO2-HF: Nuclear repulsion	6822494.818984
FMO2-HF: Total energy	-157702.984681
FMO2-MP2: Total energy	-158171.418418

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:24:LYS)

Summations of interaction energy for fragment #1(A:24: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.
-91.304	-89.833	25.986	-13.713	-13.744	-0.153

Interaction energy analysis for fragmet #1(A:24:LYS)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 1 / q_Mulliken : 0.870 / q_NPA : 0.913

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	26	TRP	0	0.004	-0.002	2.592	-1.884	1.713	0.283	-1.494	-2.386	-0.003
4	A	27	GLU	-1	-0.801	-0.881	1.738	-146.630	-150.564	24.491	-11.171	-9.386	-0.139
5	A	28	ARG	1	0.950	0.977	4.797	32.862	33.049	-0.001	-0.011	-0.175	0.000
6	A	29	LYS	1	0.954	0.985	6.475	26.513	26.513	0.000	0.000	0.000	0.000
7	A	30	GLU	-1	-0.808	-0.891	8.349	-23.254	-23.254	0.000	0.000	0.000	0.000
8	A	31	ALA	0	-0.019	-0.015	8.385	2.605	2.605	0.000	0.000	0.000	0.000
9	A	32	GLU	-1	-0.893	-0.944	10.163	-21.345	-21.345	0.000	0.000	0.000	0.000
10	A	33	ARG	1	0.772	0.876	12.667	23.842	23.842	0.000	0.000	0.000	0.000
11	A	34	ILE	0	-0.059	-0.036	12.396	1.903	1.903	0.000	0.000	0.000	0.000
12	A	35	GLU	-1	-0.724	-0.880	13.844	-21.093	-21.093	0.000	0.000	0.000	0.000
13	A	36	GLN	0	-0.108	-0.057	16.288	1.340	1.340	0.000	0.000	0.000	0.000
14	A	37	LYS	1	0.840	0.927	17.020	18.879	18.879	0.000	0.000	0.000	0.000
15	A	38	LEU	0	-0.064	-0.008	17.940	0.600	0.600	0.000	0.000	0.000	0.000
16	A	39	GLU	-1	-0.878	-0.949	21.466	-11.707	-11.707	0.000	0.000	0.000	0.000
17	A	40	ARG	1	0.917	0.939	23.920	11.911	11.911	0.000	0.000	0.000	0.000
18	A	41	SER	0	0.052	0.004	25.285	-0.239	-0.239	0.000	0.000	0.000	0.000
19	A	42	GLU	-1	-0.773	-0.873	22.380	-13.680	-13.680	0.000	0.000	0.000	0.000
20	A	43	LYS	1	0.849	0.925	20.224	14.241	14.241	0.000	0.000	0.000	0.000
21	A	44	GLU	-1	-0.940	-0.956	21.503	-11.618	-11.618	0.000	0.000	0.000	0.000
22	A	45	ALA	0	0.066	0.040	23.477	-0.130	-0.130	0.000	0.000	0.000	0.000
23	A	46	LEU	0	-0.066	-0.042	15.962	-0.375	-0.375	0.000	0.000	0.000	0.000
24	A	47	GLU	-1	-0.955	-0.987	19.090	-16.764	-16.764	0.000	0.000	0.000	0.000
25	A	48	SER	0	-0.025	-0.014	20.742	-0.086	-0.086	0.000	0.000	0.000	0.000
26	A	49	TYR	0	-0.102	-0.091	16.067	0.630	0.630	0.000	0.000	0.000	0.000
27	A	50	LYS	1	0.841	0.924	15.009	19.168	19.168	0.000	0.000	0.000	0.000
28	A	51	LYS	1	0.909	0.963	18.318	12.866	12.866	0.000	0.000	0.000	0.000
29	A	52	ASP	-1	-0.802	-0.893	21.533	-11.821	-11.821	0.000	0.000	0.000	0.000
30	A	53	SER	0	0.025	0.027	18.193	0.693	0.693	0.000	0.000	0.000	0.000
31	A	54	VAL	0	0.003	0.005	20.734	0.179	0.179	0.000	0.000	0.000	0.000
32	A	55	GLU	-1	-0.890	-0.957	22.712	-11.066	-11.066	0.000	0.000	0.000	0.000
33	A	56	ILE	0	-0.008	0.010	22.893	0.409	0.409	0.000	0.000	0.000	0.000
34	A	57	SER	0	-0.001	-0.011	20.646	0.053	0.053	0.000	0.000	0.000	0.000
35	A	58	LYS	1	0.946	0.996	22.988	12.469	12.469	0.000	0.000	0.000	0.000
36	A	59	TYR	0	-0.028	-0.045	26.166	0.420	0.420	0.000	0.000	0.000	0.000
37	A	60	SER	0	-0.053	-0.042	24.097	0.129	0.129	0.000	0.000	0.000	0.000
38	A	61	GLN	0	-0.060	-0.027	23.427	0.440	0.440	0.000	0.000	0.000	0.000
39	A	62	THR	0	-0.013	-0.019	27.338	0.378	0.378	0.000	0.000	0.000	0.000
40	A	63	ARG	1	0.781	0.871	29.006	10.706	10.706	0.000	0.000	0.000	0.000
41	A	64	ASN	0	-0.014	-0.022	31.420	0.052	0.052	0.000	0.000	0.000	0.000
42	A	65	TYR	0	0.007	0.021	31.906	0.354	0.354	0.000	0.000	0.000	0.000
43	A	66	PHE	0	-0.027	-0.003	34.183	0.311	0.311	0.000	0.000	0.000	0.000
44	A	67	TYR	0	0.001	-0.013	38.432	0.079	0.079	0.000	0.000	0.000	0.000
45	A	68	ASP	-1	-0.795	-0.895	39.469	-7.712	-7.712	0.000	0.000	0.000	0.000
46	A	69	TYR	0	0.013	-0.014	39.700	-0.170	-0.170	0.000	0.000	0.000	0.000
47	A	70	GLN	0	-0.033	-0.016	39.181	-0.113	-0.113	0.000	0.000	0.000	0.000
48	A	71	ILE	0	-0.033	-0.011	34.309	-0.161	-0.161	0.000	0.000	0.000	0.000
49	A	72	GLU	-1	-0.977	-0.988	35.734	-8.830	-8.830	0.000	0.000	0.000	0.000
50	A	73	ALA	0	-0.022	-0.006	37.406	-0.078	-0.078	0.000	0.000	0.000	0.000
51	A	74	ASN	0	-0.020	0.004	33.120	-0.265	-0.265	0.000	0.000	0.000	0.000
52	A	75	SER	0	0.017	-0.002	33.678	-0.181	-0.181	0.000	0.000	0.000	0.000
53	A	76	ARG	1	0.879	0.934	27.399	11.149	11.149	0.000	0.000	0.000	0.000
54	A	77	GLU	-1	-0.728	-0.789	29.291	-10.619	-10.619	0.000	0.000	0.000	0.000
55	A	78	LYS	1	0.969	0.965	30.306	8.881	8.881	0.000	0.000	0.000	0.000
56	A	79	GLU	-1	-0.797	-0.907	26.193	-12.241	-12.241	0.000	0.000	0.000	0.000
57	A	80	TYR	0	-0.084	-0.057	25.550	-0.344	-0.344	0.000	0.000	0.000	0.000
58	A	81	LYS	1	0.856	0.906	25.837	9.390	9.390	0.000	0.000	0.000	0.000
59	A	82	GLU	-1	-0.819	-0.884	25.767	-11.767	-11.767	0.000	0.000	0.000	0.000
60	A	83	LEU	0	0.020	0.014	19.361	-0.548	-0.548	0.000	0.000	0.000	0.000
61	A	84	ARG	1	0.930	0.971	21.614	10.746	10.746	0.000	0.000	0.000	0.000
62	A	85	ASN	0	-0.042	-0.029	23.003	-0.345	-0.345	0.000	0.000	0.000	0.000
63	A	86	ALA	0	0.034	0.014	20.207	-0.285	-0.285	0.000	0.000	0.000	0.000
64	A	87	ILE	0	0.007	0.009	17.472	-0.691	-0.691	0.000	0.000	0.000	0.000
65	A	88	SER	0	-0.086	-0.041	18.879	-0.454	-0.454	0.000	0.000	0.000	0.000
66	A	89	LYS	1	0.834	0.924	20.010	13.625	13.625	0.000	0.000	0.000	0.000
67	A	90	ASN	0	-0.074	-0.041	13.461	0.632	0.632	0.000	0.000	0.000	0.000
68	A	91	LYS	1	0.946	0.987	16.899	12.926	12.926	0.000	0.000	0.000	0.000
69	A	92	ILE	0	-0.043	-0.009	14.055	-0.232	-0.232	0.000	0.000	0.000	0.000
70	A	93	ASP	-1	-0.838	-0.931	16.746	-14.639	-14.639	0.000	0.000	0.000	0.000
71	A	94	LYS	1	0.913	0.964	13.061	23.113	23.113	0.000	0.000	0.000	0.000
72	A	95	PRO	0	-0.029	-0.029	16.976	-0.638	-0.638	0.000	0.000	0.000	0.000
73	A	96	MET	0	-0.034	-0.004	11.542	-1.286	-1.286	0.000	0.000	0.000	0.000
74	A	97	TYR	0	0.015	0.001	12.952	1.452	1.452	0.000	0.000	0.000	0.000
75	A	98	VAL	0	0.001	0.007	10.971	-2.363	-2.363	0.000	0.000	0.000	0.000
76	A	99	TYR	0	0.004	-0.009	9.462	2.448	2.448	0.000	0.000	0.000	0.000
77	A	100	TYR	0	0.023	0.004	11.489	-0.998	-0.998	0.000	0.000	0.000	0.000
78	A	101	PHE	0	0.050	0.026	12.979	0.961	0.961	0.000	0.000	0.000	0.000
79	A	102	GLU	-1	-0.882	-0.954	16.707	-14.757	-14.757	0.000	0.000	0.000	0.000
80	A	103	SER	0	0.027	0.020	20.247	0.235	0.235	0.000	0.000	0.000	0.000
81	A	104	PRO	0	0.040	-0.003	23.720	0.058	0.058	0.000	0.000	0.000	0.000
82	A	105	GLU	-1	-0.867	-0.916	26.029	-10.280	-10.280	0.000	0.000	0.000	0.000
83	A	106	LYS	1	0.908	0.958	23.808	12.642	12.642	0.000	0.000	0.000	0.000
84	A	107	PHE	0	-0.035	-0.038	22.512	-0.004	-0.004	0.000	0.000	0.000	0.000
85	A	108	ALA	0	0.024	0.016	28.036	0.197	0.197	0.000	0.000	0.000	0.000
86	A	109	PHE	0	-0.043	-0.010	28.956	0.296	0.296	0.000	0.000	0.000	0.000
87	A	110	ASN	0	-0.044	-0.047	30.179	-0.535	-0.535	0.000	0.000	0.000	0.000
88	A	111	LYS	1	0.913	0.969	31.369	9.395	9.395	0.000	0.000	0.000	0.000
89	A	112	VAL	0	0.012	0.012	29.011	-0.320	-0.320	0.000	0.000	0.000	0.000
90	A	113	ILE	0	-0.006	-0.007	24.743	0.282	0.282	0.000	0.000	0.000	0.000
91	A	114	ARG	1	0.863	0.934	21.316	14.014	14.014	0.000	0.000	0.000	0.000
92	A	115	THR	0	0.007	-0.018	27.488	-0.200	-0.200	0.000	0.000	0.000	0.000
93	A	116	GLU	-1	-0.837	-0.947	22.676	-14.112	-14.112	0.000	0.000	0.000	0.000
94	A	117	ASN	0	0.003	0.017	24.818	-0.482	-0.482	0.000	0.000	0.000	0.000
95	A	118	GLN	0	0.014	0.026	27.337	0.007	0.007	0.000	0.000	0.000	0.000
96	A	119	ASN	0	0.056	0.026	24.270	-0.950	-0.950	0.000	0.000	0.000	0.000
97	A	120	GLU	-1	-0.902	-0.959	24.942	-11.617	-11.617	0.000	0.000	0.000	0.000
98	A	121	ILE	0	-0.009	0.013	23.882	0.100	0.100	0.000	0.000	0.000	0.000
99	A	122	SER	0	0.017	-0.002	27.960	-0.053	-0.053	0.000	0.000	0.000	0.000
100	A	123	LEU	0	0.056	-0.004	30.167	-0.231	-0.231	0.000	0.000	0.000	0.000
101	A	124	GLU	-1	-0.908	-0.954	31.871	-8.538	-8.538	0.000	0.000	0.000	0.000
102	A	125	LYS	1	0.919	0.985	29.902	9.750	9.750	0.000	0.000	0.000	0.000
103	A	126	PHE	0	0.003	0.002	24.054	-0.165	-0.165	0.000	0.000	0.000	0.000
104	A	127	ASN	0	-0.039	-0.029	29.535	-0.295	-0.295	0.000	0.000	0.000	0.000
105	A	128	GLU	-1	-0.785	-0.894	32.577	-9.146	-9.146	0.000	0.000	0.000	0.000
106	A	129	PHE	0	0.002	0.004	24.954	0.010	0.010	0.000	0.000	0.000	0.000
107	A	130	LYS	1	0.920	0.952	29.485	9.852	9.852	0.000	0.000	0.000	0.000
108	A	131	GLU	-1	-0.937	-0.966	30.365	-8.605	-8.605	0.000	0.000	0.000	0.000
109	A	132	THR	0	-0.021	-0.002	31.208	0.222	0.222	0.000	0.000	0.000	0.000
110	A	133	ILE	0	-0.013	-0.006	27.247	0.082	0.082	0.000	0.000	0.000	0.000
111	A	134	GLN	0	0.000	-0.001	30.229	0.051	0.051	0.000	0.000	0.000	0.000
112	A	135	ASN	0	-0.066	-0.031	31.747	0.091	0.091	0.000	0.000	0.000	0.000
113	A	136	LYS	1	0.875	0.938	31.343	9.798	9.798	0.000	0.000	0.000	0.000
114	A	137	LEU	0	-0.053	-0.022	29.395	-0.388	-0.388	0.000	0.000	0.000	0.000
115	A	138	PHE	0	0.030	0.014	26.729	0.278	0.278	0.000	0.000	0.000	0.000
116	A	139	LYS	1	0.826	0.916	26.874	9.186	9.186	0.000	0.000	0.000	0.000
117	A	140	GLN	0	-0.033	-0.018	22.517	0.442	0.442	0.000	0.000	0.000	0.000
118	A	141	ASP	-1	-0.762	-0.860	24.600	-11.372	-11.372	0.000	0.000	0.000	0.000
119	A	142	GLY	0	0.042	0.022	23.484	-0.130	-0.130	0.000	0.000	0.000	0.000
120	A	143	PHE	0	-0.006	-0.015	19.260	-0.454	-0.454	0.000	0.000	0.000	0.000
121	A	144	LYS	1	0.902	0.953	16.030	17.182	17.182	0.000	0.000	0.000	0.000
122	A	145	ASP	-1	-0.735	-0.804	12.478	-22.346	-22.346	0.000	0.000	0.000	0.000
123	A	146	ILE	0	-0.089	-0.038	9.473	0.608	0.608	0.000	0.000	0.000	0.000
124	A	147	SER	0	0.047	0.017	6.376	-5.061	-5.061	0.000	0.000	0.000	0.000
125	A	148	LEU	0	0.013	-0.010	5.718	4.589	4.589	0.000	0.000	0.000	0.000
126	A	149	TYR	0	-0.078	-0.043	2.591	0.953	2.574	1.213	-1.037	-1.797	-0.011
127	A	150	GLU	-1	-0.950	-0.975	6.584	-22.751	-22.751	0.000	0.000	0.000	0.000
128	A	151	PRO	0	-0.034	-0.001	8.312	-2.175	-2.175	0.000	0.000	0.000	0.000
129	A	152	GLY	0	0.073	0.023	9.690	2.139	2.139	0.000	0.000	0.000	0.000
130	A	153	LYS	1	0.807	0.876	11.073	18.872	18.872	0.000	0.000	0.000	0.000
131	A	154	GLY	0	-0.009	-0.006	10.849	-1.375	-1.375	0.000	0.000	0.000	0.000
132	A	155	ASP	-1	-0.835	-0.897	8.010	-36.102	-36.102	0.000	0.000	0.000	0.000
133	A	156	GLU	-1	-0.919	-0.961	10.900	-16.425	-16.425	0.000	0.000	0.000	0.000
134	A	157	LYS	1	0.807	0.902	13.699	20.595	20.595	0.000	0.000	0.000	0.000
135	A	158	PRO	0	0.010	0.013	16.043	1.008	1.008	0.000	0.000	0.000	0.000
136	A	159	THR	0	-0.020	0.005	19.021	1.225	1.225	0.000	0.000	0.000	0.000
137	A	160	PRO	0	-0.018	-0.020	19.620	-0.793	-0.793	0.000	0.000	0.000	0.000
138	A	161	LEU	0	-0.044	-0.009	20.757	0.157	0.157	0.000	0.000	0.000	0.000
139	A	162	LEU	0	-0.008	-0.004	13.138	-0.457	-0.457	0.000	0.000	0.000	0.000
140	A	163	MET	0	-0.009	0.004	16.825	0.811	0.811	0.000	0.000	0.000	0.000
141	A	164	HIS	0	0.026	-0.001	13.217	-0.501	-0.501	0.000	0.000	0.000	0.000
142	A	165	LEU	0	-0.005	0.007	15.420	1.159	1.159	0.000	0.000	0.000	0.000
143	A	166	LYS	1	0.940	0.982	15.662	14.102	14.102	0.000	0.000	0.000	0.000
144	A	167	LEU	0	0.004	0.001	14.578	1.122	1.122	0.000	0.000	0.000	0.000
145	A	168	PRO	0	0.027	0.015	18.065	-0.354	-0.354	0.000	0.000	0.000	0.000
146	A	169	ARG	1	0.986	0.983	19.663	12.677	12.677	0.000	0.000	0.000	0.000
147	A	170	ASN	0	-0.019	-0.019	20.002	0.463	0.463	0.000	0.000	0.000	0.000
148	A	171	THR	0	-0.015	-0.006	17.630	0.759	0.759	0.000	0.000	0.000	0.000
149	A	172	GLY	0	0.002	0.008	17.890	-0.699	-0.699	0.000	0.000	0.000	0.000
150	A	173	MET	0	-0.014	-0.022	12.018	-1.111	-1.111	0.000	0.000	0.000	0.000
151	A	174	LEU	0	0.050	0.029	14.142	-0.310	-0.310	0.000	0.000	0.000	0.000
152	A	175	PRO	0	-0.014	0.005	9.092	-0.372	-0.372	0.000	0.000	0.000	0.000
153	A	176	TYR	0	-0.050	-0.047	10.374	2.150	2.150	0.000	0.000	0.000	0.000
154	A	177	THR	0	-0.027	-0.009	9.306	-2.349	-2.349	0.000	0.000	0.000	0.000
155	A	178	ASN	0	0.080	0.024	10.665	2.957	2.957	0.000	0.000	0.000	0.000
156	A	179	THR	0	0.012	-0.004	12.294	-0.065	-0.065	0.000	0.000	0.000	0.000
157	A	180	ASN	0	-0.072	-0.021	10.222	-0.537	-0.537	0.000	0.000	0.000	0.000
158	A	181	ASN	0	0.014	-0.010	7.710	-6.576	-6.576	0.000	0.000	0.000	0.000
159	A	182	VAL	0	-0.019	-0.009	5.079	2.609	2.609	0.000	0.000	0.000	0.000
160	A	183	SER	0	-0.017	0.007	7.149	-3.143	-3.143	0.000	0.000	0.000	0.000
161	A	184	THR	0	-0.009	-0.011	7.869	-0.609	-0.609	0.000	0.000	0.000	0.000
162	A	185	LEU	0	0.016	0.026	10.413	0.855	0.855	0.000	0.000	0.000	0.000
163	A	186	ILE	0	-0.019	-0.009	14.087	0.006	0.006	0.000	0.000	0.000	0.000
164	A	187	GLU	-1	-0.812	-0.913	16.496	-12.870	-12.870	0.000	0.000	0.000	0.000
165	A	188	GLN	0	-0.097	-0.035	19.719	-0.102	-0.102	0.000	0.000	0.000	0.000
166	A	189	GLY	0	0.069	0.014	21.712	0.487	0.487	0.000	0.000	0.000	0.000
167	A	190	TYR	0	-0.006	0.003	19.390	0.018	0.018	0.000	0.000	0.000	0.000
168	A	191	SER	0	0.017	0.016	25.949	0.165	0.165	0.000	0.000	0.000	0.000
169	A	192	ILE	0	-0.042	-0.015	21.734	-0.385	-0.385	0.000	0.000	0.000	0.000
170	A	193	LYS	1	0.940	0.986	25.040	12.315	12.315	0.000	0.000	0.000	0.000
171	A	194	ILE	0	0.006	-0.002	23.300	-0.597	-0.597	0.000	0.000	0.000	0.000
172	A	195	ASP	-1	-0.866	-0.937	23.957	-12.465	-12.465	0.000	0.000	0.000	0.000
173	A	196	LYS	1	0.918	0.962	23.373	13.157	13.157	0.000	0.000	0.000	0.000
174	A	197	ILE	0	-0.013	0.008	23.269	-0.575	-0.575	0.000	0.000	0.000	0.000
175	A	198	VAL	0	-0.008	-0.013	20.528	0.534	0.534	0.000	0.000	0.000	0.000
176	A	199	ARG	1	0.888	0.971	21.848	11.596	11.596	0.000	0.000	0.000	0.000
177	A	200	ILE	0	-0.007	-0.001	15.712	-0.081	-0.081	0.000	0.000	0.000	0.000
178	A	201	VAL	0	-0.009	-0.014	18.618	0.453	0.453	0.000	0.000	0.000	0.000
179	A	202	ILE	0	0.029	0.028	14.034	-0.615	-0.615	0.000	0.000	0.000	0.000
180	A	203	ASP	-1	-0.850	-0.925	16.131	-16.617	-16.617	0.000	0.000	0.000	0.000
181	A	204	GLY	0	0.008	0.014	17.876	0.694	0.694	0.000	0.000	0.000	0.000
182	A	205	LYS	1	0.913	0.969	19.835	15.356	15.356	0.000	0.000	0.000	0.000
183	A	206	HIS	0	-0.008	-0.013	20.282	-0.712	-0.712	0.000	0.000	0.000	0.000
184	A	207	TYR	0	0.009	0.001	18.241	0.030	0.030	0.000	0.000	0.000	0.000
185	A	208	ILE	0	0.014	-0.002	20.932	0.253	0.253	0.000	0.000	0.000	0.000
186	A	209	LYS	1	0.892	0.962	15.594	17.833	17.833	0.000	0.000	0.000	0.000
187	A	210	ALA	0	0.002	-0.020	19.358	0.766	0.766	0.000	0.000	0.000	0.000
188	A	211	GLU	-1	-0.914	-0.959	19.051	-16.320	-16.320	0.000	0.000	0.000	0.000
189	A	212	ALA	0	0.043	0.018	19.668	0.904	0.904	0.000	0.000	0.000	0.000
190	A	213	SER	0	0.009	-0.006	20.310	-0.831	-0.831	0.000	0.000	0.000	0.000
191	A	214	VAL	0	-0.008	0.001	21.000	0.404	0.404	0.000	0.000	0.000	0.000
192	A	215	VAL	0	-0.077	-0.036	23.738	0.296	0.296	0.000	0.000	0.000	0.000
193	A	216	SER	0	0.009	-0.011	26.642	-0.106	-0.106	0.000	0.000	0.000	0.000
194	A	217	SER	0	-0.013	-0.026	28.561	0.428	0.428	0.000	0.000	0.000	0.000
195	A	218	LEU	0	-0.018	0.014	30.856	-0.308	-0.308	0.000	0.000	0.000	0.000
196	A	219	ASP	-1	-0.747	-0.860	30.869	-9.778	-9.778	0.000	0.000	0.000	0.000
197	A	220	PHE	0	0.009	0.007	32.141	-0.248	-0.248	0.000	0.000	0.000	0.000
198	A	221	LYS	1	0.870	0.950	27.533	11.322	11.322	0.000	0.000	0.000	0.000
199	A	222	ASP	-1	-0.753	-0.869	33.359	-9.397	-9.397	0.000	0.000	0.000	0.000
200	A	223	ASP	-1	-0.879	-0.927	34.865	-8.649	-8.649	0.000	0.000	0.000	0.000
201	A	224	VAL	0	0.049	0.001	36.775	0.030	0.030	0.000	0.000	0.000	0.000
202	A	225	SER	0	0.018	0.024	40.204	0.183	0.183	0.000	0.000	0.000	0.000
203	A	226	LYS	1	0.940	0.964	35.981	8.776	8.776	0.000	0.000	0.000	0.000
204	A	227	GLY	0	0.045	0.019	38.882	0.018	0.018	0.000	0.000	0.000	0.000
205	A	228	ASP	-1	-0.772	-0.857	39.713	-6.931	-6.931	0.000	0.000	0.000	0.000
206	A	229	SER	0	-0.062	-0.025	40.983	0.162	0.162	0.000	0.000	0.000	0.000
207	A	230	TRP	0	0.002	0.002	38.776	0.110	0.110	0.000	0.000	0.000	0.000
208	A	231	GLY	0	0.042	0.010	41.363	0.088	0.088	0.000	0.000	0.000	0.000
209	A	232	LYS	1	0.877	0.916	44.122	6.904	6.904	0.000	0.000	0.000	0.000
210	A	233	ALA	0	-0.061	-0.023	43.284	0.132	0.132	0.000	0.000	0.000	0.000
211	A	234	ASN	0	-0.097	-0.064	41.406	0.076	0.076	0.000	0.000	0.000	0.000
212	A	235	TYR	0	0.009	-0.001	44.375	-0.009	-0.009	0.000	0.000	0.000	0.000
213	A	236	ASN	0	0.024	-0.001	48.610	0.168	0.168	0.000	0.000	0.000	0.000
214	A	237	ASP	-1	-0.941	-0.960	50.535	-6.325	-6.325	0.000	0.000	0.000	0.000
215	A	238	TRP	0	-0.002	-0.009	50.854	0.098	0.098	0.000	0.000	0.000	0.000
216	A	239	SER	0	0.079	0.019	52.865	0.099	0.099	0.000	0.000	0.000	0.000
217	A	240	ASN	0	-0.050	-0.030	56.198	0.143	0.143	0.000	0.000	0.000	0.000
218	A	241	LYS	1	0.830	0.923	50.372	6.519	6.519	0.000	0.000	0.000	0.000
219	A	242	LEU	0	-0.039	-0.001	55.010	0.007	0.007	0.000	0.000	0.000	0.000
220	A	243	THR	0	0.001	0.001	58.483	0.113	0.113	0.000	0.000	0.000	0.000
221	A	244	PRO	0	0.034	-0.004	61.949	-0.035	-0.035	0.000	0.000	0.000	0.000
222	A	245	ASN	0	0.023	0.009	64.199	0.025	0.025	0.000	0.000	0.000	0.000
223	A	246	GLU	-1	-0.760	-0.841	58.806	-5.600	-5.600	0.000	0.000	0.000	0.000
224	A	247	LEU	0	0.005	0.007	58.784	-0.054	-0.054	0.000	0.000	0.000	0.000
225	A	248	ALA	0	-0.028	-0.013	60.572	-0.029	-0.029	0.000	0.000	0.000	0.000
226	A	249	ASP	-1	-0.759	-0.881	61.255	-5.145	-5.145	0.000	0.000	0.000	0.000
227	A	250	VAL	0	-0.009	-0.012	55.725	-0.064	-0.064	0.000	0.000	0.000	0.000
228	A	251	ASN	0	-0.028	-0.030	58.019	-0.128	-0.128	0.000	0.000	0.000	0.000
229	A	252	ASP	-1	-0.909	-0.953	60.153	-5.070	-5.070	0.000	0.000	0.000	0.000
230	A	253	TYR	0	-0.014	-0.009	52.974	0.002	0.002	0.000	0.000	0.000	0.000
231	A	254	MET	0	-0.014	-0.021	54.785	-0.070	-0.070	0.000	0.000	0.000	0.000
232	A	255	ARG	1	0.939	0.987	57.219	5.150	5.150	0.000	0.000	0.000	0.000
233	A	256	GLY	0	-0.003	0.011	59.406	0.047	0.047	0.000	0.000	0.000	0.000
234	A	257	GLY	0	-0.013	0.000	60.334	0.034	0.034	0.000	0.000	0.000	0.000
235	A	258	TYR	0	-0.006	-0.008	55.520	0.017	0.017	0.000	0.000	0.000	0.000
236	A	259	THR	0	-0.029	-0.005	58.007	-0.072	-0.072	0.000	0.000	0.000	0.000
237	A	260	ALA	0	0.007	0.002	59.441	-0.004	-0.004	0.000	0.000	0.000	0.000
238	A	261	ILE	0	0.057	0.026	57.687	0.007	0.007	0.000	0.000	0.000	0.000
239	A	262	ASN	0	0.043	-0.005	54.137	-0.018	-0.018	0.000	0.000	0.000	0.000
240	A	263	ASN	0	-0.002	-0.003	57.289	-0.114	-0.114	0.000	0.000	0.000	0.000
241	A	264	TYR	0	-0.030	-0.010	59.551	0.026	0.026	0.000	0.000	0.000	0.000
242	A	265	LEU	0	0.014	0.005	56.032	0.010	0.010	0.000	0.000	0.000	0.000
243	A	266	ILE	0	-0.068	-0.031	54.100	-0.035	-0.035	0.000	0.000	0.000	0.000
244	A	267	SER	0	-0.082	-0.036	57.165	0.007	0.007	0.000	0.000	0.000	0.000
245	A	268	ASN	0	0.007	-0.003	59.556	0.046	0.046	0.000	0.000	0.000	0.000
246	A	269	GLY	0	0.048	0.029	60.850	0.074	0.074	0.000	0.000	0.000	0.000
247	A	270	PRO	0	0.002	-0.006	60.850	0.079	0.079	0.000	0.000	0.000	0.000
248	A	271	VAL	0	-0.043	-0.008	62.461	0.064	0.064	0.000	0.000	0.000	0.000
249	A	272	ASN	0	-0.089	-0.062	63.449	0.112	0.112	0.000	0.000	0.000	0.000
250	A	273	ASN	0	-0.046	-0.018	66.731	0.124	0.124	0.000	0.000	0.000	0.000
251	A	274	PRO	0	0.022	0.026	67.091	-0.022	-0.022	0.000	0.000	0.000	0.000
252	A	275	ASN	0	0.048	0.017	66.600	0.096	0.096	0.000	0.000	0.000	0.000
253	A	276	PRO	0	0.061	0.025	66.706	-0.071	-0.071	0.000	0.000	0.000	0.000
254	A	277	GLU	-1	-0.929	-0.961	67.511	-4.825	-4.825	0.000	0.000	0.000	0.000
255	A	278	LEU	0	-0.006	-0.024	63.332	-0.072	-0.072	0.000	0.000	0.000	0.000
256	A	279	ASP	-1	-0.820	-0.897	62.868	-5.175	-5.175	0.000	0.000	0.000	0.000
257	A	280	SER	0	-0.035	-0.018	62.540	-0.076	-0.076	0.000	0.000	0.000	0.000
258	A	281	LYS	1	0.916	0.978	61.927	4.909	4.909	0.000	0.000	0.000	0.000
259	A	282	ILE	0	-0.041	-0.013	57.542	-0.113	-0.113	0.000	0.000	0.000	0.000
260	A	283	THR	0	0.006	0.004	58.007	-0.118	-0.118	0.000	0.000	0.000	0.000
261	A	284	ASN	0	-0.045	-0.041	58.610	-0.108	-0.108	0.000	0.000	0.000	0.000
262	A	285	ILE	0	0.000	0.006	54.716	-0.091	-0.091	0.000	0.000	0.000	0.000
263	A	286	GLU	-1	-0.870	-0.925	53.503	-6.112	-6.112	0.000	0.000	0.000	0.000
264	A	287	ASN	0	-0.024	-0.025	53.700	-0.197	-0.197	0.000	0.000	0.000	0.000
265	A	288	ALA	0	0.016	0.011	54.791	-0.068	-0.068	0.000	0.000	0.000	0.000
266	A	289	LEU	0	-0.058	-0.031	50.038	-0.123	-0.123	0.000	0.000	0.000	0.000
267	A	290	LYS	1	0.897	0.948	49.711	6.027	6.027	0.000	0.000	0.000	0.000
268	A	291	ARG	1	0.756	0.877	51.079	5.762	5.762	0.000	0.000	0.000	0.000
269	A	292	GLU	-1	-0.857	-0.916	47.355	-6.705	-6.705	0.000	0.000	0.000	0.000
270	A	293	PRO	0	-0.003	0.014	45.381	-0.104	-0.104	0.000	0.000	0.000	0.000
271	A	294	ILE	0	0.028	0.026	40.366	-0.105	-0.105	0.000	0.000	0.000	0.000
272	A	295	PRO	0	0.051	0.039	40.991	-0.159	-0.159	0.000	0.000	0.000	0.000
273	A	296	THR	0	-0.088	-0.070	35.146	-0.249	-0.249	0.000	0.000	0.000	0.000
274	A	297	ASN	0	0.005	0.012	32.467	0.393	0.393	0.000	0.000	0.000	0.000
275	A	298	LEU	0	0.015	0.017	35.027	-0.202	-0.202	0.000	0.000	0.000	0.000
276	A	299	THR	0	-0.031	-0.012	32.572	0.103	0.103	0.000	0.000	0.000	0.000
277	A	300	VAL	0	0.004	0.014	35.797	0.058	0.058	0.000	0.000	0.000	0.000
278	A	301	TYR	0	-0.054	-0.066	33.495	-0.208	-0.208	0.000	0.000	0.000	0.000
279	A	302	ARG	1	0.860	0.911	39.804	7.069	7.069	0.000	0.000	0.000	0.000
280	A	303	ARG	1	0.878	0.971	39.372	7.814	7.814	0.000	0.000	0.000	0.000
281	A	304	SER	0	0.026	0.011	43.915	0.149	0.149	0.000	0.000	0.000	0.000
282	A	305	GLY	0	-0.056	-0.028	45.815	-0.027	-0.027	0.000	0.000	0.000	0.000
283	A	306	PRO	0	-0.001	-0.006	48.256	-0.058	-0.058	0.000	0.000	0.000	0.000
284	A	307	GLN	0	0.076	0.021	49.381	-0.155	-0.155	0.000	0.000	0.000	0.000
285	A	308	GLU	-1	-0.764	-0.822	47.316	-6.789	-6.789	0.000	0.000	0.000	0.000
286	A	309	PHE	0	0.019	0.001	42.628	-0.092	-0.092	0.000	0.000	0.000	0.000
287	A	310	GLY	0	-0.017	-0.005	47.755	-0.030	-0.030	0.000	0.000	0.000	0.000
288	A	311	LEU	0	-0.029	0.004	47.027	0.066	0.066	0.000	0.000	0.000	0.000
289	A	312	THR	0	0.008	-0.039	51.346	0.111	0.111	0.000	0.000	0.000	0.000
290	A	313	LEU	0	0.002	-0.032	51.444	-0.112	-0.112	0.000	0.000	0.000	0.000
291	A	314	THR	0	0.013	0.010	52.788	-0.046	-0.046	0.000	0.000	0.000	0.000
292	A	315	SER	0	0.004	0.041	51.398	0.047	0.047	0.000	0.000	0.000	0.000
293	A	316	PRO	0	0.049	0.028	51.094	-0.115	-0.115	0.000	0.000	0.000	0.000
294	A	317	GLU	-1	-0.868	-0.948	47.681	-6.462	-6.462	0.000	0.000	0.000	0.000
295	A	318	TYR	0	-0.005	-0.003	46.033	-0.212	-0.212	0.000	0.000	0.000	0.000
296	A	319	ASP	-1	-0.951	-0.979	46.054	-7.026	-7.026	0.000	0.000	0.000	0.000
297	A	320	PHE	0	0.057	0.014	40.921	-0.033	-0.033	0.000	0.000	0.000	0.000
298	A	321	ASN	0	-0.010	-0.007	40.978	-0.388	-0.388	0.000	0.000	0.000	0.000
299	A	322	LYS	1	0.935	0.988	42.011	6.719	6.719	0.000	0.000	0.000	0.000
300	A	323	LEU	0	0.075	0.018	36.415	0.008	0.008	0.000	0.000	0.000	0.000
301	A	324	GLU	-1	-0.852	-0.914	40.142	-7.466	-7.466	0.000	0.000	0.000	0.000
302	A	325	ASN	0	-0.057	-0.046	42.681	0.053	0.053	0.000	0.000	0.000	0.000
303	A	326	ILE	0	-0.042	-0.015	36.840	0.005	0.005	0.000	0.000	0.000	0.000
304	A	327	ASP	-1	-0.881	-0.935	37.698	-8.628	-8.628	0.000	0.000	0.000	0.000
305	A	328	ALA	0	-0.022	-0.012	39.640	-0.010	-0.010	0.000	0.000	0.000	0.000
306	A	329	PHE	0	-0.028	-0.017	40.243	0.085	0.085	0.000	0.000	0.000	0.000
307	A	330	LYS	1	0.888	0.934	33.081	9.561	9.561	0.000	0.000	0.000	0.000
308	A	331	SER	0	-0.022	0.001	38.969	-0.082	-0.082	0.000	0.000	0.000	0.000
309	A	332	LYS	1	0.889	0.972	40.673	6.924	6.924	0.000	0.000	0.000	0.000
310	A	333	TRP	0	-0.012	-0.021	41.022	0.135	0.135	0.000	0.000	0.000	0.000
311	A	334	GLU	-1	-0.736	-0.872	34.169	-9.486	-9.486	0.000	0.000	0.000	0.000
312	A	335	GLY	0	-0.064	-0.025	37.158	0.047	0.047	0.000	0.000	0.000	0.000
313	A	336	GLN	0	-0.020	-0.001	37.929	-0.025	-0.025	0.000	0.000	0.000	0.000
314	A	337	ALA	0	-0.052	-0.038	40.883	-0.134	-0.134	0.000	0.000	0.000	0.000
315	A	338	LEU	0	0.012	0.012	43.019	0.136	0.136	0.000	0.000	0.000	0.000
316	A	339	SER	0	-0.030	-0.022	44.845	-0.053	-0.053	0.000	0.000	0.000	0.000
317	A	340	TYR	0	-0.031	-0.059	45.196	-0.013	-0.013	0.000	0.000	0.000	0.000
318	A	341	PRO	0	0.026	0.023	49.809	-0.007	-0.007	0.000	0.000	0.000	0.000
319	A	342	ASN	0	0.012	0.013	51.393	0.068	0.068	0.000	0.000	0.000	0.000
320	A	343	PHE	0	0.038	0.013	51.475	-0.130	-0.130	0.000	0.000	0.000	0.000
321	A	344	ILE	0	-0.079	-0.034	45.632	-0.001	-0.001	0.000	0.000	0.000	0.000
322	A	345	SER	0	-0.043	-0.035	47.714	-0.114	-0.114	0.000	0.000	0.000	0.000
323	A	346	THR	0	-0.055	-0.044	42.650	-0.146	-0.146	0.000	0.000	0.000	0.000
324	A	347	SER	0	0.075	0.043	42.427	0.064	0.064	0.000	0.000	0.000	0.000
325	A	348	ILE	0	-0.011	-0.008	39.706	-0.187	-0.187	0.000	0.000	0.000	0.000
326	A	349	GLY	0	-0.003	-0.001	38.339	-0.257	-0.257	0.000	0.000	0.000	0.000
327	A	350	SER	0	-0.044	-0.041	35.621	0.038	0.038	0.000	0.000	0.000	0.000
328	A	351	VAL	0	-0.009	0.013	37.769	0.002	0.002	0.000	0.000	0.000	0.000
329	A	352	ASN	0	-0.076	-0.033	39.499	0.241	0.241	0.000	0.000	0.000	0.000
330	A	353	MET	0	0.050	0.007	42.215	0.003	0.003	0.000	0.000	0.000	0.000
331	A	354	SER	0	0.035	0.001	45.774	0.021	0.021	0.000	0.000	0.000	0.000
332	A	355	ALA	0	0.007	0.022	48.993	0.085	0.085	0.000	0.000	0.000	0.000
333	A	356	PHE	0	0.001	-0.013	44.662	0.089	0.089	0.000	0.000	0.000	0.000
334	A	357	ALA	0	0.024	0.037	46.379	-0.136	-0.136	0.000	0.000	0.000	0.000
335	A	358	LYS	1	0.937	0.938	45.860	6.440	6.440	0.000	0.000	0.000	0.000
336	A	359	ARG	1	0.851	0.936	45.979	6.623	6.623	0.000	0.000	0.000	0.000
337	A	360	LYS	1	0.931	0.966	43.279	6.743	6.743	0.000	0.000	0.000	0.000
338	A	361	ILE	0	0.019	0.030	41.014	-0.192	-0.192	0.000	0.000	0.000	0.000
339	A	362	VAL	0	-0.020	-0.004	37.949	0.163	0.163	0.000	0.000	0.000	0.000
340	A	363	LEU	0	0.004	0.015	38.483	-0.229	-0.229	0.000	0.000	0.000	0.000
341	A	364	ARG	1	0.767	0.835	29.325	10.523	10.523	0.000	0.000	0.000	0.000
342	A	365	ILE	0	0.023	0.016	36.129	-0.176	-0.176	0.000	0.000	0.000	0.000
343	A	366	THR	0	-0.016	-0.010	32.906	-0.086	-0.086	0.000	0.000	0.000	0.000
344	A	367	ILE	0	0.011	0.003	36.077	0.138	0.138	0.000	0.000	0.000	0.000
345	A	368	PRO	0	0.003	0.008	37.090	-0.198	-0.198	0.000	0.000	0.000	0.000
346	A	369	LYS	1	0.941	0.990	37.379	8.748	8.748	0.000	0.000	0.000	0.000
347	A	370	GLY	0	-0.008	-0.006	39.208	0.012	0.012	0.000	0.000	0.000	0.000
348	A	371	SER	0	-0.049	-0.045	41.283	0.192	0.192	0.000	0.000	0.000	0.000
349	A	372	PRO	0	-0.007	-0.012	43.949	0.022	0.022	0.000	0.000	0.000	0.000
350	A	373	GLY	0	-0.010	-0.008	45.903	-0.140	-0.140	0.000	0.000	0.000	0.000
351	A	374	ALA	0	0.020	0.023	47.036	0.022	0.022	0.000	0.000	0.000	0.000
352	A	375	TYR	0	-0.070	-0.047	44.182	-0.096	-0.096	0.000	0.000	0.000	0.000
353	A	376	LEU	0	0.039	0.011	47.236	0.097	0.097	0.000	0.000	0.000	0.000
354	A	377	SER	0	0.013	0.019	47.981	0.072	0.072	0.000	0.000	0.000	0.000
355	A	378	ALA	0	-0.028	-0.007	48.992	-0.010	-0.010	0.000	0.000	0.000	0.000
356	A	379	ILE	0	-0.034	-0.004	50.552	0.089	0.089	0.000	0.000	0.000	0.000
357	A	380	PRO	0	-0.055	-0.027	54.252	-0.016	-0.016	0.000	0.000	0.000	0.000
358	A	381	GLY	0	0.021	0.000	55.264	0.110	0.110	0.000	0.000	0.000	0.000
359	A	382	TYR	0	-0.044	-0.008	53.591	0.089	0.089	0.000	0.000	0.000	0.000
360	A	383	ALA	0	-0.002	-0.012	51.268	-0.104	-0.104	0.000	0.000	0.000	0.000
361	A	384	GLY	0	-0.009	-0.012	50.891	0.132	0.132	0.000	0.000	0.000	0.000
362	A	385	GLU	-1	-0.862	-0.949	47.436	-6.463	-6.463	0.000	0.000	0.000	0.000
363	A	386	TYR	0	-0.062	-0.014	43.649	-0.138	-0.138	0.000	0.000	0.000	0.000
364	A	387	GLU	-1	-0.827	-0.893	44.597	-6.628	-6.628	0.000	0.000	0.000	0.000
365	A	388	VAL	0	-0.007	-0.010	42.799	0.027	0.027	0.000	0.000	0.000	0.000
366	A	389	LEU	0	-0.016	0.016	45.895	-0.031	-0.031	0.000	0.000	0.000	0.000
367	A	390	LEU	0	0.009	-0.011	42.979	-0.068	-0.068	0.000	0.000	0.000	0.000
368	A	391	ASN	0	0.020	-0.025	47.528	0.198	0.198	0.000	0.000	0.000	0.000
369	A	392	HIS	0	-0.017	0.012	49.589	-0.063	-0.063	0.000	0.000	0.000	0.000
370	A	393	GLY	0	0.043	0.019	51.460	0.009	0.009	0.000	0.000	0.000	0.000
371	A	394	SER	0	-0.090	-0.041	45.917	-0.128	-0.128	0.000	0.000	0.000	0.000
372	A	395	LYS	1	0.965	0.979	44.368	7.068	7.068	0.000	0.000	0.000	0.000
373	A	396	PHE	0	0.024	0.001	40.856	-0.163	-0.163	0.000	0.000	0.000	0.000
374	A	397	LYS	1	0.920	0.978	36.101	8.884	8.884	0.000	0.000	0.000	0.000
375	A	398	ILE	0	0.021	0.011	37.095	-0.223	-0.223	0.000	0.000	0.000	0.000
376	A	399	ASN	0	-0.073	-0.038	32.241	0.067	0.067	0.000	0.000	0.000	0.000
377	A	400	LYS	1	0.866	0.936	29.024	10.417	10.417	0.000	0.000	0.000	0.000
378	A	401	ILE	0	-0.037	-0.004	33.114	0.176	0.176	0.000	0.000	0.000	0.000
379	A	402	ASP	-1	-0.899	-0.949	29.621	-10.878	-10.878	0.000	0.000	0.000	0.000
380	A	403	SER	0	-0.067	-0.037	32.872	0.443	0.443	0.000	0.000	0.000	0.000
381	A	404	TYR	0	0.035	0.015	32.993	-0.270	-0.270	0.000	0.000	0.000	0.000
382	A	405	LYS	1	0.858	0.922	34.742	8.432	8.432	0.000	0.000	0.000	0.000
383	A	406	ASP	-1	-0.806	-0.892	36.854	-8.072	-8.072	0.000	0.000	0.000	0.000
384	A	407	GLY	0	0.026	0.011	39.420	0.266	0.266	0.000	0.000	0.000	0.000
385	A	408	THR	0	-0.001	-0.017	40.041	-0.152	-0.152	0.000	0.000	0.000	0.000
386	A	409	ILE	0	-0.038	-0.010	42.285	0.039	0.039	0.000	0.000	0.000	0.000
387	A	410	THR	0	0.010	0.022	37.775	-0.176	-0.176	0.000	0.000	0.000	0.000
388	A	411	LYS	1	0.795	0.905	38.654	7.873	7.873	0.000	0.000	0.000	0.000
389	A	412	LEU	0	0.012	0.000	37.270	-0.258	-0.258	0.000	0.000	0.000	0.000
390	A	413	ILE	0	-0.024	0.001	32.994	0.174	0.174	0.000	0.000	0.000	0.000
391	A	414	VAL	0	0.000	-0.006	35.142	-0.187	-0.187	0.000	0.000	0.000	0.000
392	A	415	ASP	-1	-0.806	-0.887	31.002	-10.100	-10.100	0.000	0.000	0.000	0.000
393	A	416	ALA	0	0.045	0.006	34.490	0.019	0.019	0.000	0.000	0.000	0.000
394	A	417	THR	0	-0.008	-0.008	34.561	-0.191	-0.191	0.000	0.000	0.000	0.000
395	A	418	LEU	0	0.006	0.021	37.249	0.153	0.153	0.000	0.000	0.000	0.000
396	A	419	ILE	0	-0.049	-0.036	39.199	-0.160	-0.160	0.000	0.000	0.000	0.000
397	A	420	PRO	0	0.011	0.016	41.287	0.221	0.221	0.000	0.000	0.000	0.000

Top

Graph

Manual

About

Interactive mode: IFIE and PIEDA for fragment #1(A:24:LYS)