FMO DATABASE

FMODB ID: V5661

Calculation Name: 5AMS-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 5AMS

Chain ID: A

ChEMBL ID:

UniProt ID: P35184

Base Structure: X-ray

Registration Date: 2023-06-26

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	392
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-6578337.810679
FMO2-HF: Nuclear repulsion	6426118.898465
FMO2-HF: Total energy	-152218.912213
FMO2-MP2: Total energy	-152655.533594

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:22:GLU)

Summations of interaction energy for fragment #1(A:22:GLU)

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.
174.117	180.694	6.099	-5.182	-7.492	0.044

Interaction energy analysis for fragmet #1(A:22:GLU)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : -1 / q_Mulliken : -0.957 / q_NPA : -1.011

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	24	GLU	-1	-0.922	-0.963	3.978	27.200	28.504	-0.004	-0.538	-0.761	-0.002
4	A	25	GLN	0	-0.073	-0.040	6.722	-3.842	-3.842	0.000	0.000	0.000	0.000
5	A	26	ASP	-1	-0.831	-0.901	8.512	24.431	24.431	0.000	0.000	0.000	0.000
6	A	27	VAL	0	-0.046	-0.034	8.064	-0.938	-0.938	0.000	0.000	0.000	0.000
7	A	28	PRO	0	-0.053	-0.028	11.343	0.015	0.015	0.000	0.000	0.000	0.000
8	A	29	VAL	0	-0.088	-0.030	14.678	-0.155	-0.155	0.000	0.000	0.000	0.000
9	A	30	ASP	-1	-0.865	-0.946	17.327	14.279	14.279	0.000	0.000	0.000	0.000
10	A	31	ILE	0	-0.080	-0.022	21.035	0.279	0.279	0.000	0.000	0.000	0.000
11	A	32	GLU	-1	-0.988	-0.994	23.631	11.368	11.368	0.000	0.000	0.000	0.000
12	A	33	GLY	0	0.021	0.011	26.091	-0.213	-0.213	0.000	0.000	0.000	0.000
13	A	34	GLU	-1	-1.006	-0.991	29.414	9.516	9.516	0.000	0.000	0.000	0.000
14	A	53	MET	0	-0.043	-0.036	39.409	-0.022	-0.022	0.000	0.000	0.000	0.000
15	A	54	SER	0	-0.018	-0.004	37.958	0.066	0.066	0.000	0.000	0.000	0.000
16	A	55	ASN	0	0.032	0.020	37.431	0.175	0.175	0.000	0.000	0.000	0.000
17	A	56	ASN	0	-0.008	-0.023	32.470	-0.255	-0.255	0.000	0.000	0.000	0.000
18	A	57	SER	0	-0.013	0.001	36.894	0.073	0.073	0.000	0.000	0.000	0.000
19	A	58	LEU	0	-0.069	-0.015	38.097	-0.194	-0.194	0.000	0.000	0.000	0.000
20	A	59	THR	0	-0.040	-0.053	39.958	-0.305	-0.305	0.000	0.000	0.000	0.000
21	A	60	TYR	0	-0.035	-0.011	40.585	0.157	0.157	0.000	0.000	0.000	0.000
22	A	61	PHE	0	-0.025	-0.039	42.000	-0.237	-0.237	0.000	0.000	0.000	0.000
23	A	62	ASP	-1	-0.830	-0.911	43.075	6.934	6.934	0.000	0.000	0.000	0.000
24	A	63	LYS	1	0.866	0.946	45.429	-6.466	-6.466	0.000	0.000	0.000	0.000
25	A	64	HIS	1	0.739	0.880	43.167	-7.493	-7.493	0.000	0.000	0.000	0.000
26	A	65	THR	0	-0.044	-0.037	45.779	-0.039	-0.039	0.000	0.000	0.000	0.000
27	A	66	ASP	-1	-0.847	-0.901	43.737	7.165	7.165	0.000	0.000	0.000	0.000
28	A	67	SER	0	0.014	-0.024	39.482	0.054	0.054	0.000	0.000	0.000	0.000
29	A	68	VAL	0	-0.139	-0.043	37.971	-0.130	-0.130	0.000	0.000	0.000	0.000
30	A	69	PHE	0	0.053	0.028	36.865	0.218	0.218	0.000	0.000	0.000	0.000
31	A	70	ALA	0	0.014	0.034	35.507	0.280	0.280	0.000	0.000	0.000	0.000
32	A	71	ILE	0	-0.005	-0.022	33.452	-0.284	-0.284	0.000	0.000	0.000	0.000
33	A	72	GLY	0	0.024	0.030	34.623	0.260	0.260	0.000	0.000	0.000	0.000
34	A	73	HIS	0	-0.025	-0.050	35.399	-0.274	-0.274	0.000	0.000	0.000	0.000
35	A	74	HIS	0	-0.039	0.038	36.782	0.206	0.206	0.000	0.000	0.000	0.000
36	A	75	PRO	0	0.038	0.043	36.297	0.112	0.112	0.000	0.000	0.000	0.000
37	A	76	ASN	0	-0.041	-0.036	37.103	-0.010	-0.010	0.000	0.000	0.000	0.000
38	A	77	LEU	0	-0.011	-0.013	39.890	-0.100	-0.100	0.000	0.000	0.000	0.000
39	A	78	PRO	0	-0.007	0.004	40.210	0.175	0.175	0.000	0.000	0.000	0.000
40	A	79	LEU	0	-0.063	-0.044	41.140	-0.169	-0.169	0.000	0.000	0.000	0.000
41	A	80	VAL	0	0.028	0.012	38.006	0.210	0.210	0.000	0.000	0.000	0.000
42	A	81	CYS	0	-0.019	-0.036	39.275	-0.320	-0.320	0.000	0.000	0.000	0.000
43	A	82	THR	0	-0.019	0.012	38.552	0.139	0.139	0.000	0.000	0.000	0.000
44	A	83	GLY	0	0.096	0.020	39.745	-0.254	-0.254	0.000	0.000	0.000	0.000
45	A	84	GLY	0	-0.054	-0.046	40.882	0.107	0.107	0.000	0.000	0.000	0.000
46	A	85	GLY	0	0.117	0.045	42.428	-0.085	-0.085	0.000	0.000	0.000	0.000
47	A	86	ASP	-1	-0.777	-0.864	43.686	6.876	6.876	0.000	0.000	0.000	0.000
48	A	87	ASN	0	-0.011	0.005	46.136	-0.062	-0.062	0.000	0.000	0.000	0.000
49	A	88	LEU	0	-0.073	-0.039	46.165	-0.188	-0.188	0.000	0.000	0.000	0.000
50	A	89	ALA	0	0.053	0.029	44.087	0.201	0.201	0.000	0.000	0.000	0.000
51	A	90	HIS	0	-0.020	0.010	44.229	-0.241	-0.241	0.000	0.000	0.000	0.000
52	A	91	LEU	0	0.041	0.014	43.843	0.197	0.197	0.000	0.000	0.000	0.000
53	A	92	TRP	0	-0.032	-0.034	39.317	-0.197	-0.197	0.000	0.000	0.000	0.000
54	A	93	THR	0	-0.036	-0.011	43.082	0.120	0.120	0.000	0.000	0.000	0.000
55	A	94	SER	0	0.074	0.048	38.640	-0.069	-0.069	0.000	0.000	0.000	0.000
56	A	95	HIS	0	-0.020	-0.024	40.451	0.177	0.177	0.000	0.000	0.000	0.000
57	A	96	SER	0	-0.078	-0.046	42.295	-0.040	-0.040	0.000	0.000	0.000	0.000
58	A	97	GLN	0	0.047	0.042	41.777	0.268	0.268	0.000	0.000	0.000	0.000
59	A	98	PRO	0	-0.030	-0.021	45.146	-0.117	-0.117	0.000	0.000	0.000	0.000
60	A	99	PRO	0	0.040	0.036	42.933	-0.098	-0.098	0.000	0.000	0.000	0.000
61	A	100	LYS	1	0.925	0.970	45.439	-6.410	-6.410	0.000	0.000	0.000	0.000
62	A	101	PHE	0	-0.024	-0.015	47.310	0.072	0.072	0.000	0.000	0.000	0.000
63	A	102	ALA	0	-0.061	-0.047	47.424	-0.148	-0.148	0.000	0.000	0.000	0.000
64	A	103	GLY	0	-0.016	0.002	49.382	-0.090	-0.090	0.000	0.000	0.000	0.000
65	A	104	THR	0	-0.031	-0.035	48.611	0.091	0.091	0.000	0.000	0.000	0.000
66	A	105	LEU	0	-0.022	0.002	45.522	-0.149	-0.149	0.000	0.000	0.000	0.000
67	A	106	THR	0	-0.035	-0.030	48.901	0.038	0.038	0.000	0.000	0.000	0.000
68	A	107	GLY	0	0.037	0.013	51.179	-0.027	-0.027	0.000	0.000	0.000	0.000
69	A	108	TYR	0	-0.010	-0.020	45.465	-0.043	-0.043	0.000	0.000	0.000	0.000
70	A	109	GLY	0	-0.081	-0.038	48.454	-0.139	-0.139	0.000	0.000	0.000	0.000
71	A	110	GLU	-1	-0.895	-0.955	44.870	7.103	7.103	0.000	0.000	0.000	0.000
72	A	111	SER	0	0.065	0.038	41.836	-0.004	-0.004	0.000	0.000	0.000	0.000
73	A	112	VAL	0	-0.113	-0.033	41.233	0.118	0.118	0.000	0.000	0.000	0.000
74	A	113	ILE	0	0.060	0.019	37.453	0.091	0.091	0.000	0.000	0.000	0.000
75	A	114	SER	0	-0.057	-0.053	36.190	0.260	0.260	0.000	0.000	0.000	0.000
76	A	115	CYS	0	0.004	0.013	37.305	-0.340	-0.340	0.000	0.000	0.000	0.000
77	A	116	SER	0	0.023	0.017	36.392	0.353	0.353	0.000	0.000	0.000	0.000
78	A	117	PHE	0	0.032	0.012	37.433	-0.301	-0.301	0.000	0.000	0.000	0.000
79	A	118	THR	0	-0.047	-0.020	37.724	0.209	0.209	0.000	0.000	0.000	0.000
80	A	119	SER	0	0.042	-0.006	36.139	-0.129	-0.129	0.000	0.000	0.000	0.000
81	A	120	GLU	-1	-0.815	-0.908	37.558	7.907	7.907	0.000	0.000	0.000	0.000
82	A	121	GLY	0	0.003	-0.005	40.569	-0.133	-0.133	0.000	0.000	0.000	0.000
83	A	122	GLY	0	-0.040	-0.025	41.855	-0.169	-0.169	0.000	0.000	0.000	0.000
84	A	123	PHE	0	-0.012	-0.016	43.646	-0.204	-0.204	0.000	0.000	0.000	0.000
85	A	124	LEU	0	-0.047	-0.022	41.074	0.183	0.183	0.000	0.000	0.000	0.000
86	A	125	VAL	0	0.032	0.020	40.211	-0.202	-0.202	0.000	0.000	0.000	0.000
87	A	126	THR	0	-0.083	-0.053	40.893	0.081	0.081	0.000	0.000	0.000	0.000
88	A	127	ALA	0	0.049	0.028	40.013	-0.154	-0.154	0.000	0.000	0.000	0.000
89	A	128	ASP	-1	-0.727	-0.830	40.991	7.184	7.184	0.000	0.000	0.000	0.000
90	A	129	MET	0	0.065	0.027	40.467	0.055	0.055	0.000	0.000	0.000	0.000
91	A	130	SER	0	-0.072	-0.046	42.743	-0.136	-0.136	0.000	0.000	0.000	0.000
92	A	131	GLY	0	0.041	0.040	43.882	-0.142	-0.142	0.000	0.000	0.000	0.000
93	A	132	LYS	1	0.840	0.932	44.932	-6.462	-6.462	0.000	0.000	0.000	0.000
94	A	133	VAL	0	0.028	0.008	42.680	0.200	0.200	0.000	0.000	0.000	0.000
95	A	134	LEU	0	-0.049	-0.039	44.881	-0.230	-0.230	0.000	0.000	0.000	0.000
96	A	135	VAL	0	-0.004	0.014	44.750	0.193	0.193	0.000	0.000	0.000	0.000
97	A	136	HIS	0	0.031	0.031	46.142	-0.348	-0.348	0.000	0.000	0.000	0.000
98	A	137	MET	0	-0.014	-0.002	46.799	0.107	0.107	0.000	0.000	0.000	0.000
99	A	138	GLY	0	-0.004	-0.002	47.764	-0.107	-0.107	0.000	0.000	0.000	0.000
100	A	139	GLN	0	-0.007	-0.018	48.611	-0.250	-0.250	0.000	0.000	0.000	0.000
101	A	140	LYS	1	0.881	0.910	51.630	-5.532	-5.532	0.000	0.000	0.000	0.000
102	A	141	GLY	0	0.018	0.003	50.602	-0.006	-0.006	0.000	0.000	0.000	0.000
103	A	142	GLY	0	0.067	0.052	47.525	0.119	0.119	0.000	0.000	0.000	0.000
104	A	143	ALA	0	-0.038	0.012	47.824	0.083	0.083	0.000	0.000	0.000	0.000
105	A	144	GLN	0	-0.020	-0.028	50.088	-0.090	-0.090	0.000	0.000	0.000	0.000
106	A	145	TRP	0	0.046	0.022	44.386	0.069	0.069	0.000	0.000	0.000	0.000
107	A	146	LYS	1	0.915	0.951	50.175	-5.762	-5.762	0.000	0.000	0.000	0.000
108	A	147	LEU	0	0.004	0.018	50.113	0.086	0.086	0.000	0.000	0.000	0.000
109	A	148	ALA	0	-0.063	-0.026	49.951	-0.130	-0.130	0.000	0.000	0.000	0.000
110	A	149	SER	0	-0.020	-0.022	49.503	-0.085	-0.085	0.000	0.000	0.000	0.000
111	A	150	GLN	0	-0.030	-0.025	48.776	0.152	0.152	0.000	0.000	0.000	0.000
112	A	151	MET	0	-0.030	0.009	44.292	-0.123	-0.123	0.000	0.000	0.000	0.000
113	A	152	GLN	0	-0.080	-0.070	47.842	-0.078	-0.078	0.000	0.000	0.000	0.000
114	A	153	GLU	-1	-0.929	-0.960	45.725	6.605	6.605	0.000	0.000	0.000	0.000
115	A	154	VAL	0	-0.040	-0.002	42.112	0.036	0.036	0.000	0.000	0.000	0.000
116	A	155	GLU	-1	-0.920	-0.965	45.117	6.586	6.586	0.000	0.000	0.000	0.000
117	A	156	GLU	-1	-0.939	-0.973	39.590	8.016	8.016	0.000	0.000	0.000	0.000
118	A	157	ILE	0	-0.096	-0.030	38.367	0.135	0.135	0.000	0.000	0.000	0.000
119	A	158	VAL	0	0.038	0.023	33.836	-0.017	-0.017	0.000	0.000	0.000	0.000
120	A	159	TRP	0	-0.009	-0.019	32.983	0.286	0.286	0.000	0.000	0.000	0.000
121	A	160	LEU	0	0.000	-0.007	34.990	-0.187	-0.187	0.000	0.000	0.000	0.000
122	A	161	LYS	1	0.874	0.970	27.607	-11.421	-11.421	0.000	0.000	0.000	0.000
123	A	162	THR	0	-0.007	-0.051	34.273	-0.164	-0.164	0.000	0.000	0.000	0.000
124	A	163	HIS	0	0.003	0.023	32.564	0.242	0.242	0.000	0.000	0.000	0.000
125	A	164	PRO	0	0.014	0.032	29.748	-0.229	-0.229	0.000	0.000	0.000	0.000
126	A	165	THR	0	-0.058	-0.046	31.366	0.000	0.000	0.000	0.000	0.000	0.000
127	A	166	ILE	0	-0.010	-0.005	34.081	-0.289	-0.289	0.000	0.000	0.000	0.000
128	A	167	ALA	0	0.057	0.023	36.982	-0.025	-0.025	0.000	0.000	0.000	0.000
129	A	168	ARG	1	0.863	0.954	40.059	-7.348	-7.348	0.000	0.000	0.000	0.000
130	A	169	THR	0	0.042	0.021	37.660	-0.157	-0.157	0.000	0.000	0.000	0.000
131	A	170	PHE	0	-0.019	-0.008	37.344	0.194	0.194	0.000	0.000	0.000	0.000
132	A	171	ALA	0	0.003	-0.001	35.218	-0.135	-0.135	0.000	0.000	0.000	0.000
133	A	172	PHE	0	0.011	-0.002	36.260	0.145	0.145	0.000	0.000	0.000	0.000
134	A	173	GLY	0	0.056	0.027	35.676	-0.083	-0.083	0.000	0.000	0.000	0.000
135	A	174	ALA	0	0.012	0.020	36.694	-0.024	-0.024	0.000	0.000	0.000	0.000
136	A	175	THR	0	0.088	0.025	37.877	0.197	0.197	0.000	0.000	0.000	0.000
137	A	176	ASP	-1	-0.847	-0.893	39.496	7.771	7.771	0.000	0.000	0.000	0.000
138	A	177	GLY	0	0.013	0.015	36.967	0.005	0.005	0.000	0.000	0.000	0.000
139	A	178	SER	0	-0.076	-0.061	37.613	0.141	0.141	0.000	0.000	0.000	0.000
140	A	179	VAL	0	-0.005	-0.017	35.070	0.153	0.153	0.000	0.000	0.000	0.000
141	A	180	TRP	0	0.001	-0.015	37.924	-0.268	-0.268	0.000	0.000	0.000	0.000
142	A	181	CYS	0	-0.085	-0.037	38.245	0.258	0.258	0.000	0.000	0.000	0.000
143	A	182	TYR	0	0.049	0.016	39.906	-0.291	-0.291	0.000	0.000	0.000	0.000
144	A	183	GLN	0	0.005	-0.008	41.278	0.414	0.414	0.000	0.000	0.000	0.000
145	A	184	ILE	0	-0.017	0.003	43.000	-0.164	-0.164	0.000	0.000	0.000	0.000
146	A	185	ASN	0	0.026	0.014	45.906	-0.024	-0.024	0.000	0.000	0.000	0.000
147	A	186	GLU	-1	-0.961	-1.014	47.354	6.799	6.799	0.000	0.000	0.000	0.000
148	A	187	GLN	0	-0.077	-0.025	49.031	0.043	0.043	0.000	0.000	0.000	0.000
149	A	188	ASP	-1	-0.875	-0.954	52.705	6.069	6.069	0.000	0.000	0.000	0.000
150	A	189	GLY	0	0.031	0.013	49.274	0.001	0.001	0.000	0.000	0.000	0.000
151	A	190	SER	0	-0.087	-0.031	50.039	0.058	0.058	0.000	0.000	0.000	0.000
152	A	191	LEU	0	0.012	-0.005	45.869	0.126	0.126	0.000	0.000	0.000	0.000
153	A	192	GLU	-1	-0.876	-0.942	46.761	6.617	6.617	0.000	0.000	0.000	0.000
154	A	193	GLN	0	-0.009	0.000	44.862	0.162	0.162	0.000	0.000	0.000	0.000
155	A	194	LEU	0	-0.088	-0.046	40.551	-0.097	-0.097	0.000	0.000	0.000	0.000
156	A	195	MET	0	-0.047	-0.013	37.373	0.042	0.042	0.000	0.000	0.000	0.000
157	A	196	SER	0	0.022	-0.001	42.303	-0.048	-0.048	0.000	0.000	0.000	0.000
158	A	197	GLY	0	-0.009	0.002	39.660	-0.153	-0.153	0.000	0.000	0.000	0.000
159	A	198	PHE	0	0.001	0.006	39.483	0.179	0.179	0.000	0.000	0.000	0.000
160	A	199	VAL	0	-0.072	-0.033	35.767	-0.061	-0.061	0.000	0.000	0.000	0.000
161	A	200	HIS	0	-0.050	-0.017	31.541	0.088	0.088	0.000	0.000	0.000	0.000
162	A	201	GLN	0	-0.016	-0.009	36.107	-0.285	-0.285	0.000	0.000	0.000	0.000
163	A	202	GLN	0	-0.025	-0.002	34.266	-0.451	-0.451	0.000	0.000	0.000	0.000
164	A	203	ASP	-1	-0.785	-0.892	35.224	8.731	8.731	0.000	0.000	0.000	0.000
165	A	204	CYS	0	-0.111	0.006	32.871	0.382	0.382	0.000	0.000	0.000	0.000
166	A	205	SER	0	0.050	-0.002	29.875	-0.257	-0.257	0.000	0.000	0.000	0.000
167	A	206	MET	0	-0.001	0.020	27.405	0.028	0.028	0.000	0.000	0.000	0.000
168	A	207	GLY	0	0.031	-0.011	29.377	-0.064	-0.064	0.000	0.000	0.000	0.000
169	A	208	GLU	-1	-0.866	-0.936	24.906	12.723	12.723	0.000	0.000	0.000	0.000
170	A	209	PHE	0	0.009	0.002	28.552	-0.064	-0.064	0.000	0.000	0.000	0.000
171	A	210	ILE	0	-0.004	-0.010	25.538	0.495	0.495	0.000	0.000	0.000	0.000
172	A	211	ASN	0	-0.011	-0.034	27.025	-0.237	-0.237	0.000	0.000	0.000	0.000
173	A	212	THR	0	0.035	0.034	28.309	-0.270	-0.270	0.000	0.000	0.000	0.000
174	A	213	ASP	-1	-0.821	-0.929	27.116	11.897	11.897	0.000	0.000	0.000	0.000
175	A	214	LYS	1	0.747	0.883	25.688	-12.575	-12.575	0.000	0.000	0.000	0.000
176	A	215	GLY	0	0.010	-0.001	31.445	-0.244	-0.244	0.000	0.000	0.000	0.000
177	A	216	GLU	-1	-0.920	-0.977	34.941	8.054	8.054	0.000	0.000	0.000	0.000
178	A	217	ASN	0	-0.069	-0.029	37.870	-0.299	-0.299	0.000	0.000	0.000	0.000
179	A	218	THR	0	-0.039	-0.014	32.770	-0.204	-0.204	0.000	0.000	0.000	0.000
180	A	219	LEU	0	0.022	0.031	34.230	0.254	0.254	0.000	0.000	0.000	0.000
181	A	220	GLU	-1	-0.916	-0.967	30.548	10.536	10.536	0.000	0.000	0.000	0.000
182	A	221	LEU	0	-0.002	-0.009	30.941	0.146	0.146	0.000	0.000	0.000	0.000
183	A	222	VAL	0	-0.021	-0.009	26.030	-0.082	-0.082	0.000	0.000	0.000	0.000
184	A	223	THR	0	0.018	0.011	29.172	0.004	0.004	0.000	0.000	0.000	0.000
185	A	224	CYS	0	-0.036	-0.012	26.429	0.117	0.117	0.000	0.000	0.000	0.000
186	A	225	SER	0	0.014	-0.008	29.344	-0.350	-0.350	0.000	0.000	0.000	0.000
187	A	226	LEU	0	0.043	0.019	29.989	0.424	0.424	0.000	0.000	0.000	0.000
188	A	227	ASP	-1	-0.822	-0.889	31.774	9.737	9.737	0.000	0.000	0.000	0.000
189	A	228	SER	0	-0.024	-0.025	27.876	0.105	0.105	0.000	0.000	0.000	0.000
190	A	229	THR	0	-0.054	-0.031	28.478	0.307	0.307	0.000	0.000	0.000	0.000
191	A	230	ILE	0	0.003	0.004	24.459	0.063	0.063	0.000	0.000	0.000	0.000
192	A	231	VAL	0	-0.018	-0.006	28.613	-0.035	-0.035	0.000	0.000	0.000	0.000
193	A	232	ALA	0	0.009	0.028	28.851	0.097	0.097	0.000	0.000	0.000	0.000
194	A	233	TRP	0	0.014	-0.012	30.802	-0.487	-0.487	0.000	0.000	0.000	0.000
195	A	234	ASN	0	0.011	0.016	33.843	0.112	0.112	0.000	0.000	0.000	0.000
196	A	235	CYS	0	0.023	-0.012	35.960	-0.205	-0.205	0.000	0.000	0.000	0.000
197	A	236	PHE	0	0.017	0.019	37.936	-0.207	-0.207	0.000	0.000	0.000	0.000
198	A	237	THR	0	-0.079	-0.041	39.371	-0.141	-0.141	0.000	0.000	0.000	0.000
199	A	238	GLY	0	0.068	0.021	39.704	-0.182	-0.182	0.000	0.000	0.000	0.000
200	A	239	GLN	0	-0.093	-0.034	38.214	0.199	0.199	0.000	0.000	0.000	0.000
201	A	240	GLN	0	0.028	-0.003	34.764	0.354	0.354	0.000	0.000	0.000	0.000
202	A	241	LEU	0	-0.041	-0.009	30.855	-0.110	-0.110	0.000	0.000	0.000	0.000
203	A	242	PHE	0	-0.001	-0.009	26.268	0.072	0.072	0.000	0.000	0.000	0.000
204	A	243	LYS	1	0.936	0.961	30.872	-9.735	-9.735	0.000	0.000	0.000	0.000
205	A	244	ILE	0	-0.026	0.007	24.262	-0.020	-0.020	0.000	0.000	0.000	0.000
206	A	245	THR	0	-0.039	-0.059	28.374	-0.374	-0.374	0.000	0.000	0.000	0.000
207	A	246	GLN	0	0.096	0.028	28.041	0.376	0.376	0.000	0.000	0.000	0.000
208	A	247	ALA	0	-0.059	-0.018	27.569	0.344	0.344	0.000	0.000	0.000	0.000
209	A	248	GLU	-1	-0.855	-0.908	25.569	11.512	11.512	0.000	0.000	0.000	0.000
210	A	249	ILE	0	-0.006	0.006	22.233	0.836	0.836	0.000	0.000	0.000	0.000
211	A	250	LYS	1	0.911	0.938	18.322	-16.306	-16.306	0.000	0.000	0.000	0.000
212	A	251	GLY	0	-0.026	0.004	24.051	-0.166	-0.166	0.000	0.000	0.000	0.000
213	A	252	LEU	0	-0.035	-0.028	21.568	-0.348	-0.348	0.000	0.000	0.000	0.000
214	A	253	GLU	-1	-0.886	-0.936	26.063	10.547	10.547	0.000	0.000	0.000	0.000
215	A	254	ALA	0	-0.005	-0.006	24.467	0.327	0.327	0.000	0.000	0.000	0.000
216	A	255	PRO	0	0.005	0.017	26.425	0.058	0.058	0.000	0.000	0.000	0.000
217	A	256	TRP	0	-0.053	-0.032	21.531	0.611	0.611	0.000	0.000	0.000	0.000
218	A	257	ILE	0	0.019	0.010	24.928	-0.521	-0.521	0.000	0.000	0.000	0.000
219	A	258	SER	0	-0.011	0.008	22.953	-0.467	-0.467	0.000	0.000	0.000	0.000
220	A	259	LEU	0	-0.047	-0.043	22.951	0.513	0.513	0.000	0.000	0.000	0.000
221	A	260	SER	0	-0.006	0.004	20.119	0.049	0.049	0.000	0.000	0.000	0.000
222	A	261	LEU	0	-0.013	-0.004	20.852	0.640	0.640	0.000	0.000	0.000	0.000
223	A	262	ALA	0	-0.047	-0.015	17.421	0.153	0.153	0.000	0.000	0.000	0.000
224	A	263	PRO	0	0.040	0.027	18.642	-0.486	-0.486	0.000	0.000	0.000	0.000
225	A	264	GLU	-1	-0.891	-0.971	19.480	14.865	14.865	0.000	0.000	0.000	0.000
226	A	265	THR	0	-0.069	-0.045	19.262	0.037	0.037	0.000	0.000	0.000	0.000
227	A	266	LEU	0	-0.058	-0.012	14.189	1.094	1.094	0.000	0.000	0.000	0.000
228	A	267	THR	0	-0.038	-0.004	15.022	1.018	1.018	0.000	0.000	0.000	0.000
229	A	268	LYS	1	0.899	0.952	17.441	-16.128	-16.128	0.000	0.000	0.000	0.000
230	A	269	GLY	0	0.006	0.006	19.421	-0.459	-0.459	0.000	0.000	0.000	0.000
231	A	270	ASN	0	-0.022	-0.008	20.132	-1.311	-1.311	0.000	0.000	0.000	0.000
232	A	271	SER	0	0.044	0.014	21.604	0.631	0.631	0.000	0.000	0.000	0.000
233	A	272	GLY	0	0.034	0.028	23.367	-0.446	-0.446	0.000	0.000	0.000	0.000
234	A	273	VAL	0	-0.032	-0.013	17.093	0.240	0.240	0.000	0.000	0.000	0.000
235	A	274	VAL	0	0.034	0.016	20.482	-0.092	-0.092	0.000	0.000	0.000	0.000
236	A	275	ALA	0	-0.040	-0.003	17.100	0.648	0.648	0.000	0.000	0.000	0.000
237	A	276	CYS	0	-0.032	-0.021	18.981	-1.012	-1.012	0.000	0.000	0.000	0.000
238	A	277	GLY	0	0.062	0.030	19.714	0.965	0.965	0.000	0.000	0.000	0.000
239	A	278	SER	0	0.001	-0.009	21.190	-0.477	-0.477	0.000	0.000	0.000	0.000
240	A	279	ASN	0	0.081	0.025	23.459	0.535	0.535	0.000	0.000	0.000	0.000
241	A	280	ASN	0	0.032	0.022	24.665	0.333	0.333	0.000	0.000	0.000	0.000
242	A	281	GLY	0	0.040	0.037	20.506	0.219	0.219	0.000	0.000	0.000	0.000
243	A	282	LEU	0	-0.072	-0.028	18.535	1.195	1.195	0.000	0.000	0.000	0.000
244	A	283	LEU	0	0.052	0.012	13.563	-0.534	-0.534	0.000	0.000	0.000	0.000
245	A	284	ALA	0	-0.024	-0.018	16.665	0.891	0.891	0.000	0.000	0.000	0.000
246	A	285	VAL	0	-0.013	0.006	14.203	-0.395	-0.395	0.000	0.000	0.000	0.000
247	A	286	ILE	0	0.004	-0.006	17.373	0.028	0.028	0.000	0.000	0.000	0.000
248	A	287	ASN	0	0.004	-0.002	19.641	-0.388	-0.388	0.000	0.000	0.000	0.000
249	A	288	CYS	0	-0.019	-0.014	21.224	-0.634	-0.634	0.000	0.000	0.000	0.000
250	A	289	ASN	0	0.069	0.040	24.075	-0.690	-0.690	0.000	0.000	0.000	0.000
251	A	290	ASN	0	-0.124	-0.066	22.138	-0.817	-0.817	0.000	0.000	0.000	0.000
252	A	291	GLY	0	0.021	0.012	25.007	0.112	0.112	0.000	0.000	0.000	0.000
253	A	292	GLY	0	0.025	0.023	24.182	-0.080	-0.080	0.000	0.000	0.000	0.000
254	A	293	ALA	0	-0.035	-0.009	20.917	0.218	0.218	0.000	0.000	0.000	0.000
255	A	294	ILE	0	0.036	0.009	17.961	0.443	0.443	0.000	0.000	0.000	0.000
256	A	295	LEU	0	-0.080	-0.035	14.821	0.413	0.413	0.000	0.000	0.000	0.000
257	A	296	HIS	0	-0.007	0.034	10.066	0.591	0.591	0.000	0.000	0.000	0.000
258	A	297	LEU	0	-0.016	-0.017	14.537	-1.447	-1.447	0.000	0.000	0.000	0.000
259	A	298	SER	0	-0.066	-0.051	12.932	0.160	0.160	0.000	0.000	0.000	0.000
260	A	299	THR	0	0.035	0.024	15.526	-0.518	-0.518	0.000	0.000	0.000	0.000
261	A	300	VAL	0	-0.056	-0.023	14.447	1.331	1.331	0.000	0.000	0.000	0.000
262	A	301	ILE	0	0.007	0.012	14.671	1.105	1.105	0.000	0.000	0.000	0.000
263	A	302	GLU	-1	-1.003	-0.999	16.998	15.424	15.424	0.000	0.000	0.000	0.000
264	A	303	LEU	0	0.009	0.010	18.637	-0.087	-0.087	0.000	0.000	0.000	0.000
265	A	304	LYS	1	0.884	0.957	22.280	-13.085	-13.085	0.000	0.000	0.000	0.000
266	A	305	PRO	0	-0.076	-0.057	24.633	-0.203	-0.203	0.000	0.000	0.000	0.000
267	A	306	GLU	-1	-0.931	-0.980	27.889	11.090	11.090	0.000	0.000	0.000	0.000
268	A	307	GLN	0	0.015	-0.002	23.240	0.128	0.128	0.000	0.000	0.000	0.000
269	A	308	ASP	-1	-0.836	-0.899	28.035	10.337	10.337	0.000	0.000	0.000	0.000
270	A	309	GLU	-1	-0.917	-0.978	26.854	11.336	11.336	0.000	0.000	0.000	0.000
271	A	310	LEU	0	0.003	0.015	26.022	0.517	0.517	0.000	0.000	0.000	0.000
272	A	311	ASP	-1	-0.858	-0.935	24.823	12.167	12.167	0.000	0.000	0.000	0.000
273	A	312	ALA	0	0.009	-0.002	21.545	0.614	0.614	0.000	0.000	0.000	0.000
274	A	313	SER	0	-0.100	-0.064	21.479	0.744	0.744	0.000	0.000	0.000	0.000
275	A	314	ILE	0	-0.057	-0.027	18.348	0.390	0.390	0.000	0.000	0.000	0.000
276	A	315	GLU	-1	-0.791	-0.895	21.649	11.539	11.539	0.000	0.000	0.000	0.000
277	A	316	SER	0	-0.009	0.014	21.995	-0.273	-0.273	0.000	0.000	0.000	0.000
278	A	317	ILE	0	-0.004	-0.007	17.465	0.926	0.926	0.000	0.000	0.000	0.000
279	A	318	SER	0	0.003	0.007	18.020	-0.767	-0.767	0.000	0.000	0.000	0.000
280	A	319	TRP	0	0.070	0.004	14.239	2.326	2.326	0.000	0.000	0.000	0.000
281	A	320	SER	0	-0.034	0.012	15.025	-1.144	-1.144	0.000	0.000	0.000	0.000
282	A	321	SER	0	0.056	0.005	16.103	1.189	1.189	0.000	0.000	0.000	0.000
283	A	322	LYS	1	0.888	0.945	18.269	-15.796	-15.796	0.000	0.000	0.000	0.000
284	A	323	PHE	0	-0.021	-0.042	13.384	0.084	0.084	0.000	0.000	0.000	0.000
285	A	324	SER	0	0.011	0.026	10.254	1.566	1.566	0.000	0.000	0.000	0.000
286	A	325	LEU	0	-0.014	-0.008	9.637	3.147	3.147	0.000	0.000	0.000	0.000
287	A	326	MET	0	-0.010	-0.013	11.500	-2.196	-2.196	0.000	0.000	0.000	0.000
288	A	327	ALA	0	-0.002	0.015	13.084	0.954	0.954	0.000	0.000	0.000	0.000
289	A	328	ILE	0	-0.017	-0.003	14.496	-0.935	-0.935	0.000	0.000	0.000	0.000
290	A	329	GLY	0	0.042	0.005	16.947	0.503	0.503	0.000	0.000	0.000	0.000
291	A	330	LEU	0	-0.006	-0.011	18.143	-0.182	-0.182	0.000	0.000	0.000	0.000
292	A	331	VAL	0	0.054	0.039	21.557	-0.229	-0.229	0.000	0.000	0.000	0.000
293	A	332	CYS	0	-0.054	-0.020	21.552	0.003	0.003	0.000	0.000	0.000	0.000
294	A	333	GLY	0	0.054	0.032	23.110	-0.040	-0.040	0.000	0.000	0.000	0.000
295	A	334	GLU	-1	-0.910	-0.975	17.338	17.640	17.640	0.000	0.000	0.000	0.000
296	A	335	ILE	0	-0.048	-0.016	15.884	-0.056	-0.056	0.000	0.000	0.000	0.000
297	A	336	LEU	0	-0.008	-0.015	12.428	1.168	1.168	0.000	0.000	0.000	0.000
298	A	337	LEU	0	0.011	0.006	10.608	-0.137	-0.137	0.000	0.000	0.000	0.000
299	A	338	TYR	0	0.043	0.022	8.375	3.488	3.488	0.000	0.000	0.000	0.000
300	A	339	ASP	-1	-0.866	-0.944	5.107	44.929	45.020	-0.001	0.000	-0.089	0.000
301	A	340	THR	0	-0.016	-0.034	7.115	2.483	2.483	0.000	0.000	0.000	0.000
302	A	341	SER	0	-0.070	-0.010	6.968	-3.214	-3.214	0.000	0.000	0.000	0.000
303	A	342	ALA	0	-0.034	-0.014	3.117	-3.388	-1.387	0.323	-1.088	-1.236	0.009
304	A	343	TRP	0	-0.001	-0.006	4.951	-2.438	-2.397	-0.001	-0.003	-0.037	0.000
305	A	344	ARG	1	0.922	0.973	2.355	-85.719	-82.619	5.783	-3.552	-5.331	0.037
306	A	345	VAL	0	0.035	0.020	5.402	-0.263	-0.223	-0.001	-0.001	-0.038	0.000
307	A	346	ARG	1	0.860	0.932	6.306	-30.569	-30.569	0.000	0.000	0.000	0.000
308	A	347	HIS	0	-0.017	-0.015	7.422	-0.579	-0.579	0.000	0.000	0.000	0.000
309	A	348	LYS	1	0.917	0.986	11.048	-18.873	-18.873	0.000	0.000	0.000	0.000
310	A	349	PHE	0	-0.021	-0.017	13.691	0.030	0.030	0.000	0.000	0.000	0.000
311	A	350	VAL	0	0.044	0.022	17.296	0.123	0.123	0.000	0.000	0.000	0.000
312	A	351	LEU	0	-0.025	-0.012	20.419	-0.349	-0.349	0.000	0.000	0.000	0.000
313	A	352	GLU	-1	-0.926	-0.961	23.701	10.318	10.318	0.000	0.000	0.000	0.000
314	A	353	ASP	-1	-0.838	-0.935	26.730	10.019	10.019	0.000	0.000	0.000	0.000
315	A	354	SER	0	-0.001	0.007	25.744	0.385	0.385	0.000	0.000	0.000	0.000
316	A	355	VAL	0	-0.088	-0.027	21.201	-0.221	-0.221	0.000	0.000	0.000	0.000
317	A	356	THR	0	-0.011	-0.046	24.575	0.005	0.005	0.000	0.000	0.000	0.000
318	A	357	LYS	1	0.870	0.950	24.968	-11.269	-11.269	0.000	0.000	0.000	0.000
319	A	358	LEU	0	-0.010	0.004	18.218	0.224	0.224	0.000	0.000	0.000	0.000
320	A	359	MET	0	-0.045	-0.024	22.032	-0.319	-0.319	0.000	0.000	0.000	0.000
321	A	360	PHE	0	-0.002	0.005	14.498	0.329	0.329	0.000	0.000	0.000	0.000
322	A	361	ASP	-1	-0.791	-0.889	20.596	11.708	11.708	0.000	0.000	0.000	0.000
323	A	362	ASN	0	-0.051	-0.031	22.135	-0.148	-0.148	0.000	0.000	0.000	0.000
324	A	363	ASP	-1	-0.936	-0.984	18.837	16.508	16.508	0.000	0.000	0.000	0.000
325	A	364	ASP	-1	-0.810	-0.908	18.447	14.731	14.731	0.000	0.000	0.000	0.000
326	A	365	LEU	0	-0.020	-0.003	16.320	0.231	0.231	0.000	0.000	0.000	0.000
327	A	366	PHE	0	-0.022	-0.024	19.666	-0.376	-0.376	0.000	0.000	0.000	0.000
328	A	367	ALA	0	0.039	0.009	21.530	0.326	0.326	0.000	0.000	0.000	0.000
329	A	368	SER	0	-0.013	0.020	23.599	-0.225	-0.225	0.000	0.000	0.000	0.000
330	A	369	CYS	0	-0.004	0.033	26.066	0.252	0.252	0.000	0.000	0.000	0.000
331	A	370	ILE	0	0.042	0.019	27.580	-0.379	-0.379	0.000	0.000	0.000	0.000
332	A	371	ASN	0	0.030	-0.019	28.643	-0.349	-0.349	0.000	0.000	0.000	0.000
333	A	372	GLY	0	-0.032	-0.005	31.344	-0.343	-0.343	0.000	0.000	0.000	0.000
334	A	373	LYS	1	0.816	0.916	29.033	-10.624	-10.624	0.000	0.000	0.000	0.000
335	A	374	VAL	0	0.016	-0.003	27.293	0.233	0.233	0.000	0.000	0.000	0.000
336	A	375	TYR	0	0.052	0.018	23.692	-0.329	-0.329	0.000	0.000	0.000	0.000
337	A	376	GLN	0	-0.043	-0.034	23.272	-0.092	-0.092	0.000	0.000	0.000	0.000
338	A	377	PHE	0	0.070	0.034	18.203	0.046	0.046	0.000	0.000	0.000	0.000
339	A	378	ASN	0	-0.008	-0.011	17.705	0.672	0.672	0.000	0.000	0.000	0.000
340	A	379	ALA	0	0.036	0.029	14.821	0.974	0.974	0.000	0.000	0.000	0.000
341	A	380	ARG	1	0.933	0.971	13.204	-19.472	-19.472	0.000	0.000	0.000	0.000
342	A	381	THR	0	-0.095	-0.070	12.526	1.623	1.623	0.000	0.000	0.000	0.000
343	A	382	GLY	0	0.100	0.060	14.619	0.534	0.534	0.000	0.000	0.000	0.000
344	A	383	GLN	0	-0.055	-0.043	15.682	-0.926	-0.926	0.000	0.000	0.000	0.000
345	A	384	GLU	-1	-0.814	-0.915	19.250	12.439	12.439	0.000	0.000	0.000	0.000
346	A	385	LYS	1	0.767	0.906	21.835	-13.512	-13.512	0.000	0.000	0.000	0.000
347	A	386	PHE	0	-0.040	-0.049	24.206	-0.677	-0.677	0.000	0.000	0.000	0.000
348	A	387	VAL	0	0.081	0.059	26.221	0.351	0.351	0.000	0.000	0.000	0.000
349	A	388	CYS	0	-0.110	-0.012	28.559	-0.392	-0.392	0.000	0.000	0.000	0.000
350	A	389	VAL	0	0.080	0.017	31.241	0.056	0.056	0.000	0.000	0.000	0.000
351	A	390	GLY	0	0.001	-0.032	33.969	-0.190	-0.190	0.000	0.000	0.000	0.000
352	A	391	HIS	0	-0.022	0.030	35.042	-0.117	-0.117	0.000	0.000	0.000	0.000
353	A	392	ASN	0	-0.055	-0.022	36.382	0.165	0.165	0.000	0.000	0.000	0.000
354	A	393	MET	0	-0.017	0.006	37.160	-0.151	-0.151	0.000	0.000	0.000	0.000
355	A	394	GLY	0	0.096	0.050	33.215	0.101	0.101	0.000	0.000	0.000	0.000
356	A	395	VAL	0	-0.062	-0.015	30.640	-0.223	-0.223	0.000	0.000	0.000	0.000
357	A	396	LEU	0	0.021	0.037	30.675	0.437	0.437	0.000	0.000	0.000	0.000
358	A	397	ASP	-1	-0.780	-0.889	30.082	10.814	10.814	0.000	0.000	0.000	0.000
359	A	398	PHE	0	-0.065	-0.048	24.855	-0.279	-0.279	0.000	0.000	0.000	0.000
360	A	399	ILE	0	-0.028	-0.008	30.257	0.111	0.111	0.000	0.000	0.000	0.000
361	A	400	LEU	0	0.052	0.012	26.756	-0.058	-0.058	0.000	0.000	0.000	0.000
362	A	401	LEU	0	-0.078	-0.026	30.123	-0.170	-0.170	0.000	0.000	0.000	0.000
363	A	402	HIS	0	0.014	0.005	27.703	-0.096	-0.096	0.000	0.000	0.000	0.000
364	A	403	PRO	0	-0.033	-0.009	32.732	-0.349	-0.349	0.000	0.000	0.000	0.000
365	A	404	VAL	0	0.003	-0.008	35.094	0.069	0.069	0.000	0.000	0.000	0.000
366	A	405	ALA	0	-0.057	-0.027	37.024	0.017	0.017	0.000	0.000	0.000	0.000
367	A	406	ASN	0	0.089	0.053	34.726	-0.128	-0.128	0.000	0.000	0.000	0.000
368	A	407	THR	0	-0.060	-0.043	37.545	0.039	0.039	0.000	0.000	0.000	0.000
369	A	408	GLY	0	-0.019	-0.018	39.383	-0.182	-0.182	0.000	0.000	0.000	0.000
370	A	409	THR	0	-0.073	-0.024	38.002	0.148	0.148	0.000	0.000	0.000	0.000
371	A	410	GLU	-1	-0.910	-0.945	31.686	10.073	10.073	0.000	0.000	0.000	0.000
372	A	411	GLN	0	-0.024	-0.018	34.756	0.221	0.221	0.000	0.000	0.000	0.000
373	A	412	LYS	1	0.947	0.979	32.120	-9.318	-9.318	0.000	0.000	0.000	0.000
374	A	413	ARG	1	0.838	0.913	24.152	-12.555	-12.555	0.000	0.000	0.000	0.000
375	A	414	LYS	1	0.886	0.940	31.534	-8.448	-8.448	0.000	0.000	0.000	0.000
376	A	415	VAL	0	0.028	0.016	29.121	0.230	0.230	0.000	0.000	0.000	0.000
377	A	416	ILE	0	-0.053	-0.022	31.850	-0.318	-0.318	0.000	0.000	0.000	0.000
378	A	417	THR	0	-0.009	-0.038	32.065	0.203	0.203	0.000	0.000	0.000	0.000
379	A	418	ALA	0	0.001	-0.006	33.715	-0.343	-0.343	0.000	0.000	0.000	0.000
380	A	419	GLY	0	0.048	0.021	34.736	0.253	0.253	0.000	0.000	0.000	0.000
381	A	420	ASP	-1	-0.788	-0.906	36.192	8.388	8.388	0.000	0.000	0.000	0.000
382	A	421	GLU	-1	-0.815	-0.898	37.900	8.141	8.141	0.000	0.000	0.000	0.000
383	A	422	GLY	0	-0.024	-0.006	40.245	-0.212	-0.212	0.000	0.000	0.000	0.000
384	A	423	VAL	0	-0.066	-0.049	39.887	-0.209	-0.209	0.000	0.000	0.000	0.000
385	A	424	SER	0	-0.004	0.016	38.065	0.161	0.161	0.000	0.000	0.000	0.000
386	A	425	LEU	0	-0.034	-0.007	36.480	-0.295	-0.295	0.000	0.000	0.000	0.000
387	A	426	VAL	0	-0.013	-0.010	36.274	0.198	0.198	0.000	0.000	0.000	0.000
388	A	427	PHE	0	0.043	0.021	32.740	-0.142	-0.142	0.000	0.000	0.000	0.000
389	A	428	GLU	-1	-0.911	-0.957	33.464	8.890	8.890	0.000	0.000	0.000	0.000
390	A	429	VAL	0	-0.009	-0.010	28.584	0.031	0.031	0.000	0.000	0.000	0.000
391	A	430	PRO	0	-0.062	-0.028	27.307	-0.112	-0.112	0.000	0.000	0.000	0.000
392	A	431	ASN	0	0.072	0.053	24.238	0.138	0.138	0.000	0.000	0.000	0.000

Top

Graph

Overview

Highlights

Manual

Support

Interactive mode: IFIE and PIEDA for fragment #1(A:22:GLU)