FMO DATABASE

FMODB ID: 4L39N

Calculation Name: 2PZ1-A-Xray372

Preferred Name: APC/Asef

Target Type: PROTEIN COMPLEX

Ligand Name:

ligand 3-letter code:

PDB ID: 2PZ1

Chain ID: A

ChEMBL ID: CHEMBL4296093

UniProt ID: Q9NR80

Base Structure: X-ray

Registration Date: 2023-09-26

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

DOI:

IFIE MAP

IFIE Diagram

Modeling method

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

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	408
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-7316637.391326
FMO2-HF: Nuclear repulsion	7146780.935144
FMO2-HF: Total energy	-169856.456182
FMO2-MP2: Total energy	-170347.749928

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:181:GLY)

Summations of interaction energy for fragment #1(A:181:GLY)

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.
-4.674	-0.046	8.098	-5.887	-6.836	-0.017

Interaction energy analysis for fragmet #1(A:181:GLY)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : -0.004 / q_NPA : -0.021

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	183	GLU	-1	-1.013	-0.999	3.803	-0.176	1.051	-0.017	-0.539	-0.671	0.000
4	A	184	GLN	0	0.019	-0.002	6.096	0.586	0.586	0.000	0.000	0.000	0.000
5	A	185	LEU	0	0.091	0.061	7.924	-0.126	-0.126	0.000	0.000	0.000	0.000
6	A	186	ALA	0	-0.019	-0.012	11.071	0.100	0.100	0.000	0.000	0.000	0.000
7	A	187	ILE	0	0.024	-0.003	13.974	0.002	0.002	0.000	0.000	0.000	0.000
8	A	188	ASN	0	0.025	-0.014	14.941	0.003	0.003	0.000	0.000	0.000	0.000
9	A	189	GLU	-1	-0.941	-0.956	14.892	-0.051	-0.051	0.000	0.000	0.000	0.000
10	A	190	LEU	0	0.012	0.020	9.965	0.003	0.003	0.000	0.000	0.000	0.000
11	A	191	ILE	0	-0.023	-0.022	13.829	-0.017	-0.017	0.000	0.000	0.000	0.000
12	A	192	SER	0	-0.069	-0.028	16.958	-0.021	-0.021	0.000	0.000	0.000	0.000
13	A	193	ASP	-1	-0.929	-0.952	13.905	-0.015	-0.015	0.000	0.000	0.000	0.000
14	A	194	GLY	0	-0.078	-0.031	16.517	-0.019	-0.019	0.000	0.000	0.000	0.000
15	A	195	SER	0	-0.064	-0.029	11.594	0.004	0.004	0.000	0.000	0.000	0.000
16	A	196	VAL	0	-0.013	-0.003	12.337	0.007	0.007	0.000	0.000	0.000	0.000
17	A	197	VAL	0	0.012	0.011	11.458	0.111	0.111	0.000	0.000	0.000	0.000
18	A	198	CYS	0	-0.077	-0.034	11.600	-0.087	-0.087	0.000	0.000	0.000	0.000
19	A	199	ALA	0	0.014	-0.003	12.469	0.098	0.098	0.000	0.000	0.000	0.000
20	A	200	GLU	-1	-0.909	-0.960	14.119	0.389	0.389	0.000	0.000	0.000	0.000
21	A	201	ALA	0	0.025	0.037	17.064	-0.001	-0.001	0.000	0.000	0.000	0.000
22	A	202	LEU	0	-0.081	-0.040	19.804	0.006	0.006	0.000	0.000	0.000	0.000
23	A	203	TRP	0	-0.018	-0.043	21.759	-0.015	-0.015	0.000	0.000	0.000	0.000
24	A	204	ASP	-1	-0.803	-0.892	24.857	0.125	0.125	0.000	0.000	0.000	0.000
25	A	205	HIS	0	-0.097	-0.057	26.717	-0.007	-0.007	0.000	0.000	0.000	0.000
26	A	206	VAL	0	0.028	0.013	28.426	-0.001	-0.001	0.000	0.000	0.000	0.000
27	A	207	THR	0	-0.038	-0.074	30.900	-0.004	-0.004	0.000	0.000	0.000	0.000
28	A	208	MET	0	-0.007	0.002	33.640	0.001	0.001	0.000	0.000	0.000	0.000
29	A	209	ASP	-1	-0.842	-0.900	34.291	0.059	0.059	0.000	0.000	0.000	0.000
30	A	210	ASP	-1	-0.886	-0.955	33.754	0.058	0.058	0.000	0.000	0.000	0.000
31	A	211	GLN	0	-0.050	-0.026	32.514	0.003	0.003	0.000	0.000	0.000	0.000
32	A	212	GLU	-1	-0.904	-0.909	29.895	0.083	0.083	0.000	0.000	0.000	0.000
33	A	213	LEU	0	-0.020	0.006	23.446	-0.001	-0.001	0.000	0.000	0.000	0.000
34	A	214	GLY	0	0.017	0.026	27.472	0.004	0.004	0.000	0.000	0.000	0.000
35	A	215	PHE	0	-0.045	-0.035	23.871	0.006	0.006	0.000	0.000	0.000	0.000
36	A	216	LYS	1	0.949	0.977	25.366	-0.130	-0.130	0.000	0.000	0.000	0.000
37	A	217	ALA	0	0.015	-0.005	23.330	0.014	0.014	0.000	0.000	0.000	0.000
38	A	218	GLY	0	-0.084	-0.052	20.016	-0.008	-0.008	0.000	0.000	0.000	0.000
39	A	219	ASP	-1	-0.873	-0.927	19.471	0.166	0.166	0.000	0.000	0.000	0.000
40	A	220	VAL	0	-0.056	-0.040	15.292	0.022	0.022	0.000	0.000	0.000	0.000
41	A	221	ILE	0	-0.020	-0.001	17.204	-0.027	-0.027	0.000	0.000	0.000	0.000
42	A	222	GLU	-1	-0.897	-0.958	15.982	0.235	0.235	0.000	0.000	0.000	0.000
43	A	223	VAL	0	-0.036	-0.027	16.514	-0.033	-0.033	0.000	0.000	0.000	0.000
44	A	224	MET	0	-0.029	-0.015	17.636	0.013	0.013	0.000	0.000	0.000	0.000
45	A	225	ASP	-1	-0.832	-0.899	20.301	0.081	0.081	0.000	0.000	0.000	0.000
46	A	226	ALA	0	0.042	0.003	19.484	0.007	0.007	0.000	0.000	0.000	0.000
47	A	227	THR	0	-0.030	-0.025	21.460	-0.008	-0.008	0.000	0.000	0.000	0.000
48	A	228	ASN	0	-0.079	-0.031	24.470	-0.014	-0.014	0.000	0.000	0.000	0.000
49	A	229	ARG	1	0.956	0.969	24.097	-0.067	-0.067	0.000	0.000	0.000	0.000
50	A	230	GLU	-1	-0.842	-0.907	23.966	0.127	0.127	0.000	0.000	0.000	0.000
51	A	231	TRP	0	0.003	0.014	25.065	0.011	0.011	0.000	0.000	0.000	0.000
52	A	232	TRP	0	0.035	0.023	18.080	0.008	0.008	0.000	0.000	0.000	0.000
53	A	233	TRP	0	-0.002	0.005	23.474	-0.006	-0.006	0.000	0.000	0.000	0.000
54	A	234	GLY	0	0.002	-0.007	21.395	0.017	0.017	0.000	0.000	0.000	0.000
55	A	235	ARG	1	0.923	0.947	20.069	-0.147	-0.147	0.000	0.000	0.000	0.000
56	A	236	VAL	0	0.048	0.020	20.806	0.022	0.022	0.000	0.000	0.000	0.000
57	A	237	ALA	0	-0.057	-0.033	22.662	-0.010	-0.010	0.000	0.000	0.000	0.000
58	A	238	ASP	-1	-0.891	-0.965	24.020	0.088	0.088	0.000	0.000	0.000	0.000
59	A	239	GLY	0	-0.026	-0.014	26.179	-0.011	-0.011	0.000	0.000	0.000	0.000
60	A	240	GLU	-1	-0.973	-0.980	24.906	0.099	0.099	0.000	0.000	0.000	0.000
61	A	241	GLY	0	0.047	0.039	26.065	-0.008	-0.008	0.000	0.000	0.000	0.000
62	A	242	TRP	0	-0.021	-0.021	26.017	0.012	0.012	0.000	0.000	0.000	0.000
63	A	243	PHE	0	-0.023	0.001	20.200	0.001	0.001	0.000	0.000	0.000	0.000
64	A	244	PRO	0	0.038	0.027	25.269	0.002	0.002	0.000	0.000	0.000	0.000
65	A	245	ALA	0	0.045	0.009	20.998	0.012	0.012	0.000	0.000	0.000	0.000
66	A	246	SER	0	-0.081	-0.067	21.074	0.019	0.019	0.000	0.000	0.000	0.000
67	A	247	PHE	0	-0.036	-0.023	23.212	-0.002	-0.002	0.000	0.000	0.000	0.000
68	A	248	VAL	0	0.019	0.017	17.613	0.008	0.008	0.000	0.000	0.000	0.000
69	A	249	ARG	1	0.749	0.869	10.687	-0.536	-0.536	0.000	0.000	0.000	0.000
70	A	250	LEU	0	0.003	-0.004	12.197	0.010	0.010	0.000	0.000	0.000	0.000
71	A	251	ARG	1	0.877	0.950	8.906	-0.528	-0.528	0.000	0.000	0.000	0.000
72	A	252	VAL	0	-0.028	-0.019	5.349	0.016	0.016	0.000	0.000	0.000	0.000
73	A	253	ASN	0	-0.046	-0.028	3.187	0.179	1.367	0.077	-0.432	-0.832	-0.003
74	A	254	GLN	0	0.033	0.027	4.823	-0.999	-0.954	-0.001	-0.003	-0.041	0.000
75	A	278	GLN	0	0.008	-0.018	9.313	0.009	0.009	0.000	0.000	0.000	0.000
76	A	279	SER	0	0.005	0.005	9.234	-0.029	-0.029	0.000	0.000	0.000	0.000
77	A	280	SER	0	0.043	0.035	4.905	0.116	0.116	0.000	0.000	0.000	0.000
78	A	281	LYS	1	0.992	0.970	4.161	0.305	0.519	0.000	-0.027	-0.186	0.000
79	A	282	ASP	-1	-0.852	-0.910	6.482	0.292	0.292	0.000	0.000	0.000	0.000
80	A	283	GLN	0	-0.012	-0.012	2.802	-0.521	-0.159	0.430	-0.297	-0.495	0.001
81	A	284	MET	0	0.021	0.011	2.109	-1.745	-0.288	2.292	-1.506	-2.242	0.009
82	A	285	ARG	1	0.808	0.880	3.959	-0.678	-0.698	0.006	-0.014	0.028	0.000
83	A	286	THR	0	-0.046	-0.027	6.555	-0.140	-0.140	0.000	0.000	0.000	0.000
84	A	287	ASN	0	0.017	0.005	2.141	-2.308	-2.153	5.311	-3.069	-2.397	-0.024
85	A	288	VAL	0	0.044	0.035	5.725	-0.039	-0.039	0.000	0.000	0.000	0.000
86	A	289	ILE	0	-0.018	0.001	8.413	-0.092	-0.092	0.000	0.000	0.000	0.000
87	A	290	ASN	0	-0.010	-0.024	8.276	-0.034	-0.034	0.000	0.000	0.000	0.000
88	A	291	GLU	-1	-0.782	-0.875	9.611	0.367	0.367	0.000	0.000	0.000	0.000
89	A	292	ILE	0	0.014	-0.001	11.252	-0.046	-0.046	0.000	0.000	0.000	0.000
90	A	293	LEU	0	-0.015	-0.016	13.653	-0.035	-0.035	0.000	0.000	0.000	0.000
91	A	294	SER	0	-0.016	-0.016	13.955	-0.011	-0.011	0.000	0.000	0.000	0.000
92	A	295	THR	0	0.013	0.020	14.968	-0.015	-0.015	0.000	0.000	0.000	0.000
93	A	296	GLU	-1	-0.779	-0.878	16.866	0.115	0.115	0.000	0.000	0.000	0.000
94	A	297	ARG	1	0.883	0.938	15.653	-0.071	-0.071	0.000	0.000	0.000	0.000
95	A	298	ASP	-1	-0.937	-0.971	18.127	0.094	0.094	0.000	0.000	0.000	0.000
96	A	299	TYR	0	-0.010	-0.022	20.952	-0.009	-0.009	0.000	0.000	0.000	0.000
97	A	300	ILE	0	-0.005	-0.002	22.918	-0.009	-0.009	0.000	0.000	0.000	0.000
98	A	301	LYS	1	0.899	0.951	21.422	-0.059	-0.059	0.000	0.000	0.000	0.000
99	A	302	HIS	0	0.088	0.052	22.732	-0.012	-0.012	0.000	0.000	0.000	0.000
100	A	303	LEU	0	0.002	-0.001	26.898	-0.006	-0.006	0.000	0.000	0.000	0.000
101	A	304	ARG	1	0.832	0.922	28.260	-0.041	-0.041	0.000	0.000	0.000	0.000
102	A	305	ASP	-1	-0.778	-0.895	29.515	0.039	0.039	0.000	0.000	0.000	0.000
103	A	306	ILE	0	0.013	0.018	30.257	-0.004	-0.004	0.000	0.000	0.000	0.000
104	A	307	CYS	0	-0.028	-0.009	32.895	-0.004	-0.004	0.000	0.000	0.000	0.000
105	A	308	GLU	-1	-1.011	-1.019	34.230	0.027	0.027	0.000	0.000	0.000	0.000
106	A	309	GLY	0	0.035	0.012	35.176	-0.003	-0.003	0.000	0.000	0.000	0.000
107	A	310	TYR	0	-0.020	-0.012	34.051	-0.001	-0.001	0.000	0.000	0.000	0.000
108	A	311	VAL	0	0.020	0.016	37.025	-0.002	-0.002	0.000	0.000	0.000	0.000
109	A	312	ARG	1	0.900	0.961	38.299	-0.030	-0.030	0.000	0.000	0.000	0.000
110	A	313	GLN	0	0.050	0.002	40.919	-0.003	-0.003	0.000	0.000	0.000	0.000
111	A	314	CYS	0	0.002	0.012	42.052	-0.001	-0.001	0.000	0.000	0.000	0.000
112	A	315	ARG	1	0.843	0.914	41.158	-0.034	-0.034	0.000	0.000	0.000	0.000
113	A	316	LYS	1	0.852	0.929	43.475	-0.026	-0.026	0.000	0.000	0.000	0.000
114	A	317	ARG	1	0.800	0.890	47.187	-0.022	-0.022	0.000	0.000	0.000	0.000
115	A	318	ALA	0	0.057	0.035	49.001	0.001	0.001	0.000	0.000	0.000	0.000
116	A	319	ASP	-1	-0.831	-0.890	51.070	0.021	0.021	0.000	0.000	0.000	0.000
117	A	320	MET	0	-0.087	-0.033	47.215	0.000	0.000	0.000	0.000	0.000	0.000
118	A	321	PHE	0	0.024	0.028	44.046	0.002	0.002	0.000	0.000	0.000	0.000
119	A	322	SER	0	0.059	0.042	48.108	0.000	0.000	0.000	0.000	0.000	0.000
120	A	323	GLU	-1	-0.874	-0.965	45.795	0.032	0.032	0.000	0.000	0.000	0.000
121	A	324	GLU	-1	-0.944	-0.975	46.128	0.032	0.032	0.000	0.000	0.000	0.000
122	A	325	GLN	0	0.008	-0.006	45.684	0.001	0.001	0.000	0.000	0.000	0.000
123	A	326	LEU	0	-0.020	-0.005	42.697	0.002	0.002	0.000	0.000	0.000	0.000
124	A	327	ARG	1	0.940	0.968	41.397	-0.031	-0.031	0.000	0.000	0.000	0.000
125	A	328	THR	0	0.008	0.013	40.943	0.003	0.003	0.000	0.000	0.000	0.000
126	A	329	ILE	0	-0.041	-0.017	38.723	0.003	0.003	0.000	0.000	0.000	0.000
127	A	330	PHE	0	0.019	-0.007	36.319	0.003	0.003	0.000	0.000	0.000	0.000
128	A	331	GLY	0	0.051	0.037	36.410	0.003	0.003	0.000	0.000	0.000	0.000
129	A	332	ASN	0	0.013	-0.006	34.724	-0.001	-0.001	0.000	0.000	0.000	0.000
130	A	333	ILE	0	0.033	0.010	30.889	0.001	0.001	0.000	0.000	0.000	0.000
131	A	334	GLU	-1	-0.828	-0.922	33.152	0.038	0.038	0.000	0.000	0.000	0.000
132	A	335	ASP	-1	-0.919	-0.950	34.751	0.045	0.045	0.000	0.000	0.000	0.000
133	A	336	ILE	0	0.002	-0.005	29.059	0.001	0.001	0.000	0.000	0.000	0.000
134	A	337	TYR	0	0.020	0.008	29.164	0.001	0.001	0.000	0.000	0.000	0.000
135	A	338	ARG	1	0.895	0.934	30.246	-0.048	-0.048	0.000	0.000	0.000	0.000
136	A	339	CYS	0	-0.036	-0.009	30.021	-0.003	-0.003	0.000	0.000	0.000	0.000
137	A	340	GLN	0	0.043	0.026	23.189	-0.005	-0.005	0.000	0.000	0.000	0.000
138	A	341	LYS	1	0.947	0.971	25.962	-0.039	-0.039	0.000	0.000	0.000	0.000
139	A	342	ALA	0	-0.044	-0.010	27.124	-0.002	-0.002	0.000	0.000	0.000	0.000
140	A	343	PHE	0	-0.004	-0.006	21.132	-0.003	-0.003	0.000	0.000	0.000	0.000
141	A	344	VAL	0	0.062	0.030	21.125	0.004	0.004	0.000	0.000	0.000	0.000
142	A	345	LYS	1	0.916	0.971	22.328	-0.032	-0.032	0.000	0.000	0.000	0.000
143	A	346	ALA	0	-0.020	-0.027	24.128	-0.004	-0.004	0.000	0.000	0.000	0.000
144	A	347	LEU	0	-0.001	-0.015	18.408	0.001	0.001	0.000	0.000	0.000	0.000
145	A	348	GLU	-1	-0.913	-0.963	19.323	0.051	0.051	0.000	0.000	0.000	0.000
146	A	349	GLN	0	-0.086	-0.034	20.392	-0.010	-0.010	0.000	0.000	0.000	0.000
147	A	350	ARG	1	0.887	0.953	19.776	-0.082	-0.082	0.000	0.000	0.000	0.000
148	A	351	PHE	0	-0.021	-0.003	12.611	0.003	0.003	0.000	0.000	0.000	0.000
149	A	352	ASN	0	0.013	0.012	15.733	-0.028	-0.028	0.000	0.000	0.000	0.000
150	A	353	ARG	1	0.967	0.962	15.248	0.022	0.022	0.000	0.000	0.000	0.000
151	A	354	GLU	-1	-0.928	-0.957	15.340	-0.030	-0.030	0.000	0.000	0.000	0.000
152	A	355	ARG	1	0.871	0.901	11.086	0.058	0.058	0.000	0.000	0.000	0.000
153	A	356	PRO	0	0.069	0.046	10.293	0.034	0.034	0.000	0.000	0.000	0.000
154	A	357	HIS	0	0.061	0.053	9.267	-0.010	-0.010	0.000	0.000	0.000	0.000
155	A	358	LEU	0	-0.008	-0.013	11.116	0.024	0.024	0.000	0.000	0.000	0.000
156	A	359	SER	0	0.008	0.028	14.142	-0.017	-0.017	0.000	0.000	0.000	0.000
157	A	360	GLU	-1	-0.925	-0.962	15.535	0.107	0.107	0.000	0.000	0.000	0.000
158	A	361	LEU	0	0.026	-0.017	14.422	-0.012	-0.012	0.000	0.000	0.000	0.000
159	A	362	GLY	0	0.034	0.014	18.214	-0.005	-0.005	0.000	0.000	0.000	0.000
160	A	363	ALA	0	0.037	0.011	20.111	-0.005	-0.005	0.000	0.000	0.000	0.000
161	A	364	CYS	0	-0.049	0.006	21.424	-0.011	-0.011	0.000	0.000	0.000	0.000
162	A	365	PHE	0	0.018	0.001	18.121	-0.004	-0.004	0.000	0.000	0.000	0.000
163	A	366	LEU	0	-0.027	-0.009	23.259	-0.006	-0.006	0.000	0.000	0.000	0.000
164	A	367	GLU	-1	-0.915	-0.961	26.031	0.063	0.063	0.000	0.000	0.000	0.000
165	A	368	HIS	1	0.851	0.929	25.924	-0.081	-0.081	0.000	0.000	0.000	0.000
166	A	369	GLN	0	0.028	0.025	28.023	-0.003	-0.003	0.000	0.000	0.000	0.000
167	A	370	ALA	0	0.059	0.006	28.887	0.001	0.001	0.000	0.000	0.000	0.000
168	A	371	ASP	-1	-0.888	-0.950	29.524	0.061	0.061	0.000	0.000	0.000	0.000
169	A	372	PHE	0	-0.018	-0.021	23.676	0.001	0.001	0.000	0.000	0.000	0.000
170	A	373	GLN	0	-0.046	-0.015	29.000	0.000	0.000	0.000	0.000	0.000	0.000
171	A	374	ILE	0	0.018	0.015	31.792	-0.002	-0.002	0.000	0.000	0.000	0.000
172	A	375	TYR	0	-0.001	0.009	26.430	0.000	0.000	0.000	0.000	0.000	0.000
173	A	376	SER	0	-0.025	-0.003	31.210	0.000	0.000	0.000	0.000	0.000	0.000
174	A	377	GLU	-1	-0.908	-0.955	33.512	0.050	0.050	0.000	0.000	0.000	0.000
175	A	378	TYR	0	-0.052	-0.037	31.482	-0.003	-0.003	0.000	0.000	0.000	0.000
176	A	379	CYS	0	-0.033	-0.021	30.655	0.001	0.001	0.000	0.000	0.000	0.000
177	A	380	ASN	0	-0.044	-0.028	33.412	0.002	0.002	0.000	0.000	0.000	0.000
178	A	381	ASN	0	0.014	0.000	36.897	-0.004	-0.004	0.000	0.000	0.000	0.000
179	A	382	HIS	0	0.025	0.019	32.984	-0.003	-0.003	0.000	0.000	0.000	0.000
180	A	383	PRO	0	0.017	0.001	36.043	-0.001	-0.001	0.000	0.000	0.000	0.000
181	A	384	ASN	0	-0.010	-0.012	38.142	-0.001	-0.001	0.000	0.000	0.000	0.000
182	A	385	ALA	0	0.033	0.040	37.209	-0.003	-0.003	0.000	0.000	0.000	0.000
183	A	386	CYS	0	-0.007	-0.001	36.033	-0.001	-0.001	0.000	0.000	0.000	0.000
184	A	387	VAL	0	0.023	0.036	38.568	-0.002	-0.002	0.000	0.000	0.000	0.000
185	A	388	GLU	-1	-0.747	-0.859	42.207	0.032	0.032	0.000	0.000	0.000	0.000
186	A	389	LEU	0	0.013	-0.011	37.731	-0.003	-0.003	0.000	0.000	0.000	0.000
187	A	390	SER	0	-0.012	-0.018	40.839	-0.001	-0.001	0.000	0.000	0.000	0.000
188	A	391	ARG	1	0.789	0.883	42.254	-0.034	-0.034	0.000	0.000	0.000	0.000
189	A	392	LEU	0	-0.014	-0.014	43.473	-0.002	-0.002	0.000	0.000	0.000	0.000
190	A	393	THR	0	0.000	0.013	40.870	-0.002	-0.002	0.000	0.000	0.000	0.000
191	A	394	LYS	1	0.903	0.959	43.390	-0.037	-0.037	0.000	0.000	0.000	0.000
192	A	395	LEU	0	-0.045	-0.018	46.684	-0.002	-0.002	0.000	0.000	0.000	0.000
193	A	396	SER	0	0.035	0.014	47.246	0.000	0.000	0.000	0.000	0.000	0.000
194	A	397	LYS	1	0.967	0.975	47.668	-0.021	-0.021	0.000	0.000	0.000	0.000
195	A	398	TYR	0	-0.013	-0.040	44.917	-0.001	-0.001	0.000	0.000	0.000	0.000
196	A	399	VAL	0	0.014	0.019	42.620	0.001	0.001	0.000	0.000	0.000	0.000
197	A	400	TYR	0	0.004	-0.015	43.012	0.000	0.000	0.000	0.000	0.000	0.000
198	A	401	PHE	0	-0.004	0.011	42.722	-0.001	-0.001	0.000	0.000	0.000	0.000
199	A	402	PHE	0	0.040	-0.010	39.520	0.000	0.000	0.000	0.000	0.000	0.000
200	A	403	GLU	-1	-0.905	-0.945	39.377	0.030	0.030	0.000	0.000	0.000	0.000
201	A	404	ALA	0	-0.020	-0.016	40.274	-0.001	-0.001	0.000	0.000	0.000	0.000
202	A	405	CYS	0	-0.067	-0.030	38.659	-0.001	-0.001	0.000	0.000	0.000	0.000
203	A	406	ARG	1	0.953	0.951	33.261	-0.041	-0.041	0.000	0.000	0.000	0.000
204	A	407	LEU	0	0.007	0.004	36.142	-0.001	-0.001	0.000	0.000	0.000	0.000
205	A	408	LEU	0	-0.063	-0.025	38.365	-0.002	-0.002	0.000	0.000	0.000	0.000
206	A	409	GLN	0	-0.048	-0.013	32.807	-0.003	-0.003	0.000	0.000	0.000	0.000
207	A	410	LYS	1	0.886	0.954	31.569	-0.014	-0.014	0.000	0.000	0.000	0.000
208	A	411	MET	0	-0.061	0.016	30.932	0.001	0.001	0.000	0.000	0.000	0.000
209	A	412	ILE	0	0.014	-0.002	24.945	-0.002	-0.002	0.000	0.000	0.000	0.000
210	A	413	ASP	-1	-0.937	-0.954	26.648	0.056	0.056	0.000	0.000	0.000	0.000
211	A	414	ILE	0	0.010	0.007	25.704	0.006	0.006	0.000	0.000	0.000	0.000
212	A	415	SER	0	-0.062	-0.033	29.546	-0.004	-0.004	0.000	0.000	0.000	0.000
213	A	416	LEU	0	0.019	0.011	31.821	0.003	0.003	0.000	0.000	0.000	0.000
214	A	417	ASP	-1	-0.811	-0.920	33.337	0.058	0.058	0.000	0.000	0.000	0.000
215	A	418	GLY	0	-0.011	0.009	29.845	0.005	0.005	0.000	0.000	0.000	0.000
216	A	419	PHE	0	-0.001	-0.022	28.413	0.007	0.007	0.000	0.000	0.000	0.000
217	A	420	LEU	0	-0.021	-0.013	29.526	0.004	0.004	0.000	0.000	0.000	0.000
218	A	421	LEU	0	0.052	0.045	27.923	0.001	0.001	0.000	0.000	0.000	0.000
219	A	422	THR	0	0.005	0.008	25.693	0.009	0.009	0.000	0.000	0.000	0.000
220	A	423	PRO	0	-0.034	-0.017	25.349	0.010	0.010	0.000	0.000	0.000	0.000
221	A	424	VAL	0	0.041	0.006	26.630	0.005	0.005	0.000	0.000	0.000	0.000
222	A	425	GLN	0	-0.017	-0.007	22.815	0.001	0.001	0.000	0.000	0.000	0.000
223	A	426	LYS	1	0.853	0.947	18.958	-0.159	-0.159	0.000	0.000	0.000	0.000
224	A	427	ILE	0	-0.012	-0.011	21.856	0.014	0.014	0.000	0.000	0.000	0.000
225	A	428	CYS	0	-0.007	0.005	23.482	0.002	0.002	0.000	0.000	0.000	0.000
226	A	429	LYS	1	0.961	1.004	15.912	-0.247	-0.247	0.000	0.000	0.000	0.000
227	A	430	TYR	0	-0.048	-0.052	18.117	0.024	0.024	0.000	0.000	0.000	0.000
228	A	431	PRO	0	-0.006	0.000	18.025	0.021	0.021	0.000	0.000	0.000	0.000
229	A	432	LEU	0	0.029	0.013	15.790	0.014	0.014	0.000	0.000	0.000	0.000
230	A	433	GLN	0	-0.006	-0.006	13.527	0.018	0.018	0.000	0.000	0.000	0.000
231	A	434	LEU	0	-0.010	-0.010	13.481	0.036	0.036	0.000	0.000	0.000	0.000
232	A	435	ALA	0	0.010	0.014	15.335	-0.001	-0.001	0.000	0.000	0.000	0.000
233	A	436	GLU	-1	-0.763	-0.880	7.933	1.024	1.024	0.000	0.000	0.000	0.000
234	A	437	LEU	0	0.022	0.007	10.263	0.068	0.068	0.000	0.000	0.000	0.000
235	A	438	LEU	0	0.001	0.021	11.849	0.004	0.004	0.000	0.000	0.000	0.000
236	A	439	LYS	1	0.925	0.980	8.753	-0.582	-0.582	0.000	0.000	0.000	0.000
237	A	440	TYR	0	-0.061	-0.027	5.632	0.060	0.060	0.000	0.000	0.000	0.000
238	A	441	THR	0	-0.013	-0.009	9.697	-0.011	-0.011	0.000	0.000	0.000	0.000
239	A	442	HIS	0	0.003	0.011	13.105	-0.019	-0.019	0.000	0.000	0.000	0.000
240	A	443	PRO	0	0.057	0.009	15.230	-0.008	-0.008	0.000	0.000	0.000	0.000
241	A	444	GLN	0	-0.011	-0.010	18.396	-0.011	-0.011	0.000	0.000	0.000	0.000
242	A	445	HIS	0	-0.072	-0.020	13.825	-0.019	-0.019	0.000	0.000	0.000	0.000
243	A	446	ARG	1	0.971	0.976	17.773	-0.075	-0.075	0.000	0.000	0.000	0.000
244	A	447	ASP	-1	-0.749	-0.869	16.691	0.159	0.159	0.000	0.000	0.000	0.000
245	A	448	PHE	0	-0.023	0.002	16.721	0.006	0.006	0.000	0.000	0.000	0.000
246	A	449	LYS	1	1.024	0.995	18.826	-0.077	-0.077	0.000	0.000	0.000	0.000
247	A	450	ASP	-1	-0.853	-0.917	21.318	0.094	0.094	0.000	0.000	0.000	0.000
248	A	451	VAL	0	-0.019	-0.013	15.898	0.001	0.001	0.000	0.000	0.000	0.000
249	A	452	GLU	-1	-0.965	-0.963	19.213	0.137	0.137	0.000	0.000	0.000	0.000
250	A	453	ALA	0	0.004	-0.003	20.995	-0.003	-0.003	0.000	0.000	0.000	0.000
251	A	454	ALA	0	-0.009	-0.011	20.892	-0.004	-0.004	0.000	0.000	0.000	0.000
252	A	455	LEU	0	-0.014	-0.003	18.231	-0.002	-0.002	0.000	0.000	0.000	0.000
253	A	456	HIS	0	-0.011	-0.001	21.187	-0.007	-0.007	0.000	0.000	0.000	0.000
254	A	457	ALA	0	0.012	0.001	24.647	-0.005	-0.005	0.000	0.000	0.000	0.000
255	A	458	MET	0	-0.025	-0.021	21.809	-0.009	-0.009	0.000	0.000	0.000	0.000
256	A	459	LYS	1	0.952	0.980	20.479	-0.175	-0.175	0.000	0.000	0.000	0.000
257	A	460	ASN	0	-0.014	-0.007	24.684	-0.003	-0.003	0.000	0.000	0.000	0.000
258	A	461	VAL	0	-0.020	-0.002	26.399	-0.005	-0.005	0.000	0.000	0.000	0.000
259	A	462	ALA	0	0.023	0.010	24.761	-0.004	-0.004	0.000	0.000	0.000	0.000
260	A	463	GLN	0	-0.027	-0.014	26.350	0.007	0.007	0.000	0.000	0.000	0.000
261	A	464	LEU	0	-0.006	0.005	28.427	-0.005	-0.005	0.000	0.000	0.000	0.000
262	A	465	ILE	0	-0.017	-0.011	28.809	-0.004	-0.004	0.000	0.000	0.000	0.000
263	A	466	ASN	0	0.026	-0.013	27.176	0.001	0.001	0.000	0.000	0.000	0.000
264	A	467	GLU	-1	-0.810	-0.867	29.312	0.080	0.080	0.000	0.000	0.000	0.000
265	A	468	ARG	1	0.945	0.978	32.258	-0.066	-0.066	0.000	0.000	0.000	0.000
266	A	469	LYS	1	0.852	0.928	29.150	-0.104	-0.104	0.000	0.000	0.000	0.000
267	A	470	ARG	1	0.866	0.926	30.970	-0.085	-0.085	0.000	0.000	0.000	0.000
268	A	471	ARG	1	0.908	0.955	33.059	-0.064	-0.064	0.000	0.000	0.000	0.000
269	A	472	LEU	0	-0.031	-0.018	36.485	-0.003	-0.003	0.000	0.000	0.000	0.000
270	A	473	GLU	-1	-0.820	-0.905	32.039	0.086	0.086	0.000	0.000	0.000	0.000
271	A	474	ASN	0	-0.062	-0.040	34.336	-0.004	-0.004	0.000	0.000	0.000	0.000
272	A	475	ILE	0	0.019	0.007	37.383	-0.003	-0.003	0.000	0.000	0.000	0.000
273	A	476	ASP	-1	-0.896	-0.941	38.627	0.052	0.052	0.000	0.000	0.000	0.000
274	A	477	LYS	1	0.908	0.949	32.757	-0.080	-0.080	0.000	0.000	0.000	0.000
275	A	478	ILE	0	0.002	0.014	38.807	-0.003	-0.003	0.000	0.000	0.000	0.000
276	A	479	ALA	0	0.009	0.012	41.636	-0.002	-0.002	0.000	0.000	0.000	0.000
277	A	480	GLN	0	-0.038	-0.029	39.199	0.000	0.000	0.000	0.000	0.000	0.000
278	A	481	TRP	0	0.020	-0.003	40.261	-0.002	-0.002	0.000	0.000	0.000	0.000
279	A	482	GLN	0	0.008	-0.021	42.290	0.000	0.000	0.000	0.000	0.000	0.000
280	A	483	SER	0	-0.105	-0.042	45.552	-0.002	-0.002	0.000	0.000	0.000	0.000
281	A	484	SER	0	-0.018	-0.006	43.697	-0.001	-0.001	0.000	0.000	0.000	0.000
282	A	485	ILE	0	-0.121	-0.049	43.633	-0.001	-0.001	0.000	0.000	0.000	0.000
283	A	486	GLU	-1	-0.906	-0.959	47.131	0.029	0.029	0.000	0.000	0.000	0.000
284	A	487	ASP	-1	-0.921	-0.973	50.389	0.027	0.027	0.000	0.000	0.000	0.000
285	A	488	TRP	0	-0.070	-0.049	46.877	0.001	0.001	0.000	0.000	0.000	0.000
286	A	489	GLU	-1	-0.946	-0.977	52.398	0.024	0.024	0.000	0.000	0.000	0.000
287	A	490	GLY	0	-0.038	-0.037	53.298	0.001	0.001	0.000	0.000	0.000	0.000
288	A	491	GLU	-1	-0.901	-0.930	52.698	0.031	0.031	0.000	0.000	0.000	0.000
289	A	492	ASP	-1	-0.791	-0.876	49.873	0.034	0.034	0.000	0.000	0.000	0.000
290	A	493	LEU	0	-0.061	-0.038	44.075	0.000	0.000	0.000	0.000	0.000	0.000
291	A	494	LEU	0	-0.003	-0.014	43.540	0.001	0.001	0.000	0.000	0.000	0.000
292	A	495	VAL	0	-0.044	0.013	47.188	0.000	0.000	0.000	0.000	0.000	0.000
293	A	496	ARG	1	0.829	0.905	48.897	-0.035	-0.035	0.000	0.000	0.000	0.000
294	A	497	SER	0	-0.051	-0.013	43.631	0.000	0.000	0.000	0.000	0.000	0.000
295	A	498	SER	0	-0.071	-0.041	41.820	0.000	0.000	0.000	0.000	0.000	0.000
296	A	499	GLU	-1	-0.927	-0.993	36.084	0.072	0.072	0.000	0.000	0.000	0.000
297	A	500	LEU	0	-0.005	0.011	35.251	-0.003	-0.003	0.000	0.000	0.000	0.000
298	A	501	ILE	0	-0.040	-0.012	35.952	0.004	0.004	0.000	0.000	0.000	0.000
299	A	502	TYR	0	-0.018	-0.032	32.194	0.003	0.003	0.000	0.000	0.000	0.000
300	A	503	SER	0	0.009	0.015	35.406	-0.004	-0.004	0.000	0.000	0.000	0.000
301	A	504	GLY	0	0.055	0.029	35.711	0.004	0.004	0.000	0.000	0.000	0.000
302	A	505	GLU	-1	-0.949	-0.979	37.441	0.038	0.038	0.000	0.000	0.000	0.000
303	A	506	LEU	0	-0.025	-0.020	39.948	0.001	0.001	0.000	0.000	0.000	0.000
304	A	507	THR	0	-0.099	-0.117	42.694	-0.001	-0.001	0.000	0.000	0.000	0.000
305	A	508	ARG	1	0.950	0.993	45.910	-0.029	-0.029	0.000	0.000	0.000	0.000
306	A	509	VAL	0	0.005	-0.013	48.857	-0.001	-0.001	0.000	0.000	0.000	0.000
307	A	510	THR	0	-0.108	-0.036	52.213	0.000	0.000	0.000	0.000	0.000	0.000
308	A	511	GLN	0	0.098	0.029	55.505	0.000	0.000	0.000	0.000	0.000	0.000
309	A	512	PRO	0	0.011	0.009	57.951	-0.001	-0.001	0.000	0.000	0.000	0.000
310	A	513	GLN	0	0.055	0.025	59.220	0.000	0.000	0.000	0.000	0.000	0.000
311	A	514	ALA	0	0.026	-0.006	57.328	-0.001	-0.001	0.000	0.000	0.000	0.000
312	A	515	LYS	1	0.891	0.968	52.583	-0.023	-0.023	0.000	0.000	0.000	0.000
313	A	516	SER	0	0.000	-0.006	49.591	0.000	0.000	0.000	0.000	0.000	0.000
314	A	517	GLN	0	-0.028	-0.015	49.903	0.000	0.000	0.000	0.000	0.000	0.000
315	A	518	GLN	0	0.103	0.140	44.490	0.001	0.001	0.000	0.000	0.000	0.000
316	A	519	ARG	1	0.843	0.920	45.215	-0.032	-0.032	0.000	0.000	0.000	0.000
317	A	520	MET	0	0.052	0.042	38.318	0.001	0.001	0.000	0.000	0.000	0.000
318	A	521	PHE	0	-0.004	-0.013	41.387	-0.003	-0.003	0.000	0.000	0.000	0.000
319	A	522	PHE	0	0.026	0.000	38.927	0.002	0.002	0.000	0.000	0.000	0.000
320	A	523	LEU	0	-0.020	-0.004	39.156	-0.003	-0.003	0.000	0.000	0.000	0.000
321	A	524	PHE	0	0.030	0.012	39.766	0.003	0.003	0.000	0.000	0.000	0.000
322	A	525	ASP	-1	-0.681	-0.840	41.604	0.050	0.050	0.000	0.000	0.000	0.000
323	A	526	HIS	1	0.877	0.927	42.848	-0.044	-0.044	0.000	0.000	0.000	0.000
324	A	527	GLN	0	-0.023	-0.016	45.209	-0.004	-0.004	0.000	0.000	0.000	0.000
325	A	528	LEU	0	-0.032	0.014	43.226	0.002	0.002	0.000	0.000	0.000	0.000
326	A	529	ILE	0	0.027	0.013	44.802	-0.003	-0.003	0.000	0.000	0.000	0.000
327	A	530	TYR	0	-0.037	-0.012	44.829	0.001	0.001	0.000	0.000	0.000	0.000
328	A	531	CYS	0	0.040	0.025	44.853	-0.002	-0.002	0.000	0.000	0.000	0.000
329	A	532	LYS	1	0.864	0.919	45.933	-0.027	-0.027	0.000	0.000	0.000	0.000
330	A	533	LYS	1	0.861	0.931	38.950	-0.047	-0.047	0.000	0.000	0.000	0.000
331	A	534	ASP	-1	-0.826	-0.913	45.571	0.027	0.027	0.000	0.000	0.000	0.000
332	A	535	LEU	0	-0.086	-0.028	46.597	0.001	0.001	0.000	0.000	0.000	0.000
333	A	536	LEU	0	-0.014	-0.019	45.989	0.000	0.000	0.000	0.000	0.000	0.000
334	A	537	ARG	1	0.908	0.965	43.858	-0.034	-0.034	0.000	0.000	0.000	0.000
335	A	538	ARG	1	0.960	0.972	38.759	-0.042	-0.042	0.000	0.000	0.000	0.000
336	A	539	ASP	-1	-0.804	-0.904	39.916	0.043	0.043	0.000	0.000	0.000	0.000
337	A	540	VAL	0	0.059	0.061	41.307	0.001	0.001	0.000	0.000	0.000	0.000
338	A	541	LEU	0	-0.049	-0.040	41.619	-0.001	-0.001	0.000	0.000	0.000	0.000
339	A	542	TYR	0	-0.028	-0.013	45.866	0.000	0.000	0.000	0.000	0.000	0.000
340	A	543	TYR	0	0.094	0.047	49.096	0.001	0.001	0.000	0.000	0.000	0.000
341	A	544	LYS	1	0.795	0.894	49.828	-0.029	-0.029	0.000	0.000	0.000	0.000
342	A	545	GLY	0	0.041	0.020	50.514	-0.002	-0.002	0.000	0.000	0.000	0.000
343	A	546	ARG	1	0.861	0.929	49.277	-0.032	-0.032	0.000	0.000	0.000	0.000
344	A	547	LEU	0	-0.080	-0.036	48.993	-0.002	-0.002	0.000	0.000	0.000	0.000
345	A	548	ASP	-1	-0.833	-0.916	49.045	0.035	0.035	0.000	0.000	0.000	0.000
346	A	549	MET	0	0.002	-0.025	44.955	-0.001	-0.001	0.000	0.000	0.000	0.000
347	A	550	ASP	-1	-0.804	-0.874	48.308	0.038	0.038	0.000	0.000	0.000	0.000
348	A	551	GLY	0	-0.109	-0.055	50.428	-0.001	-0.001	0.000	0.000	0.000	0.000
349	A	552	LEU	0	-0.106	-0.051	49.013	-0.001	-0.001	0.000	0.000	0.000	0.000
350	A	553	GLU	-1	-0.834	-0.912	46.557	0.039	0.039	0.000	0.000	0.000	0.000
351	A	554	VAL	0	-0.029	-0.015	43.284	-0.001	-0.001	0.000	0.000	0.000	0.000
352	A	555	VAL	0	-0.032	-0.012	46.461	-0.001	-0.001	0.000	0.000	0.000	0.000
353	A	556	ASP	-1	-0.848	-0.940	42.518	0.038	0.038	0.000	0.000	0.000	0.000
354	A	557	LEU	0	-0.074	-0.036	45.500	-0.002	-0.002	0.000	0.000	0.000	0.000
355	A	558	GLU	-1	-0.901	-0.953	43.902	0.033	0.033	0.000	0.000	0.000	0.000
356	A	559	ASP	-1	-0.871	-0.921	44.942	0.028	0.028	0.000	0.000	0.000	0.000
357	A	560	GLY	0	-0.036	-0.014	47.632	-0.001	-0.001	0.000	0.000	0.000	0.000
358	A	561	LYS	1	0.788	0.895	51.147	-0.020	-0.020	0.000	0.000	0.000	0.000
359	A	562	ASP	-1	-0.841	-0.909	52.881	0.025	0.025	0.000	0.000	0.000	0.000
360	A	563	ARG	1	0.843	0.914	52.804	-0.023	-0.023	0.000	0.000	0.000	0.000
361	A	564	ASP	-1	-0.900	-0.942	55.818	0.023	0.023	0.000	0.000	0.000	0.000
362	A	565	LEU	0	0.044	0.027	57.384	0.000	0.000	0.000	0.000	0.000	0.000
363	A	566	HIS	0	0.006	0.002	56.543	0.000	0.000	0.000	0.000	0.000	0.000
364	A	567	VAL	0	0.002	-0.053	54.929	0.000	0.000	0.000	0.000	0.000	0.000
365	A	568	DSN	0	-0.009	0.007	50.491	0.001	0.001	0.000	0.000	0.000	0.000
366	A	569	ILE	0	-0.005	0.001	47.889	0.001	0.001	0.000	0.000	0.000	0.000
367	A	570	LYS	1	0.970	0.967	44.401	-0.026	-0.026	0.000	0.000	0.000	0.000
368	A	571	ASN	0	0.022	0.037	40.373	0.000	0.000	0.000	0.000	0.000	0.000
369	A	572	ALA	0	0.001	-0.020	42.824	0.002	0.002	0.000	0.000	0.000	0.000
370	A	573	PHE	0	0.013	0.003	41.934	0.001	0.001	0.000	0.000	0.000	0.000
371	A	574	ARG	1	0.880	0.942	46.357	-0.026	-0.026	0.000	0.000	0.000	0.000
372	A	575	LEU	0	0.003	0.016	45.420	0.001	0.001	0.000	0.000	0.000	0.000
373	A	576	HIS	0	0.008	-0.016	49.226	-0.001	-0.001	0.000	0.000	0.000	0.000
374	A	577	ARG	1	0.941	0.974	51.864	-0.028	-0.028	0.000	0.000	0.000	0.000
375	A	578	GLY	0	0.024	0.021	53.720	0.001	0.001	0.000	0.000	0.000	0.000
376	A	579	ALA	0	-0.024	-0.001	56.323	-0.001	-0.001	0.000	0.000	0.000	0.000
377	A	580	THR	0	-0.111	-0.133	58.556	-0.001	-0.001	0.000	0.000	0.000	0.000
378	A	581	GLY	0	0.033	0.007	58.868	0.000	0.000	0.000	0.000	0.000	0.000
379	A	582	ASP	-1	-0.838	-0.835	56.327	0.024	0.024	0.000	0.000	0.000	0.000
380	A	583	SER	0	0.050	0.021	53.560	0.001	0.001	0.000	0.000	0.000	0.000
381	A	584	HIS	0	-0.057	-0.030	50.586	-0.001	-0.001	0.000	0.000	0.000	0.000
382	A	585	LEU	0	0.005	0.019	49.479	0.001	0.001	0.000	0.000	0.000	0.000
383	A	586	LEU	0	0.014	-0.004	45.391	0.000	0.000	0.000	0.000	0.000	0.000
384	A	587	CYS	0	0.015	0.012	43.930	-0.001	-0.001	0.000	0.000	0.000	0.000
385	A	588	THR	0	0.017	0.027	38.896	0.000	0.000	0.000	0.000	0.000	0.000
386	A	589	ARG	1	0.970	0.990	38.342	-0.038	-0.038	0.000	0.000	0.000	0.000
387	A	590	LYS	1	0.876	0.926	32.082	-0.061	-0.061	0.000	0.000	0.000	0.000
388	A	591	PRO	0	0.109	0.047	35.859	0.002	0.002	0.000	0.000	0.000	0.000
389	A	592	GLU	-1	-0.845	-0.930	31.486	0.056	0.056	0.000	0.000	0.000	0.000
390	A	593	GLN	0	-0.005	-0.022	33.695	0.000	0.000	0.000	0.000	0.000	0.000
391	A	594	LYS	1	0.901	0.969	35.586	-0.036	-0.036	0.000	0.000	0.000	0.000
392	A	595	GLN	0	0.038	0.015	34.434	0.002	0.002	0.000	0.000	0.000	0.000
393	A	596	ARG	1	0.833	0.926	28.763	-0.077	-0.077	0.000	0.000	0.000	0.000
394	A	597	TRP	0	0.040	0.028	34.391	0.002	0.002	0.000	0.000	0.000	0.000
395	A	598	LEU	0	-0.015	-0.004	37.863	0.000	0.000	0.000	0.000	0.000	0.000
396	A	599	LYS	1	0.926	0.957	31.073	-0.070	-0.070	0.000	0.000	0.000	0.000
397	A	600	ALA	0	-0.006	0.008	35.935	0.001	0.001	0.000	0.000	0.000	0.000
398	A	601	PHE	0	0.017	-0.016	36.908	-0.001	-0.001	0.000	0.000	0.000	0.000
399	A	602	ALA	0	0.006	0.006	38.066	-0.001	-0.001	0.000	0.000	0.000	0.000
400	A	603	ARG	1	0.977	0.991	31.405	-0.077	-0.077	0.000	0.000	0.000	0.000
401	A	604	GLU	-1	-0.793	-0.889	37.513	0.046	0.046	0.000	0.000	0.000	0.000
402	A	605	ARG	1	0.853	0.908	40.334	-0.043	-0.043	0.000	0.000	0.000	0.000
403	A	606	GLU	-1	-0.972	-0.992	37.598	0.057	0.057	0.000	0.000	0.000	0.000
404	A	607	GLN	0	-0.045	-0.017	36.872	0.002	0.002	0.000	0.000	0.000	0.000
405	A	608	VAL	0	-0.030	-0.018	40.145	-0.001	-0.001	0.000	0.000	0.000	0.000
406	A	609	GLN	0	-0.083	-0.027	42.329	-0.001	-0.001	0.000	0.000	0.000	0.000
407	A	610	LEU	0	-0.045	-0.025	42.824	-0.002	-0.002	0.000	0.000	0.000	0.000
408	A	611	ASP	-1	-0.955	-0.955	41.903	0.047	0.047	0.000	0.000	0.000	0.000

Top

Graph

Manual

About

Interactive mode: IFIE and PIEDA for fragment #1(A:181:GLY)