FMO DATABASE

FMODB ID: VQVV1

Calculation Name: 1UF2-P-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 1UF2

Chain ID: P

ChEMBL ID:

UniProt ID: P22472

Base Structure: X-ray

Registration Date: 2023-09-22

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

DOI:

IFIE MAP

IFIE Diagram

Modeling method

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

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	414
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-6966993.076764
FMO2-HF: Nuclear repulsion	6805249.898674
FMO2-HF: Total energy	-161743.17809
FMO2-MP2: Total energy	-162211.62596

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(P:1:MET)

Summations of interaction energy for fragment #1(P:1:MET)

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.
-14.122	-9.106	24.811	-10.564	-19.258	-0.04

Interaction energy analysis for fragmet #1(P:1:MET)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.066 / q_NPA : 0.035

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	P	3	ARG	1	0.834	0.876	3.867	-2.777	-0.710	-0.008	-1.182	-0.877	0.006
4	P	4	GLN	0	0.057	0.021	6.838	-0.115	-0.115	0.000	0.000	0.000	0.000
5	P	5	MET	0	-0.029	-0.017	2.911	0.932	-0.193	6.360	-1.195	-4.040	0.000
6	P	6	TRP	0	0.057	0.022	2.673	-0.569	0.869	0.151	-0.615	-0.974	0.000
7	P	7	LEU	0	0.001	-0.001	5.871	0.471	0.471	0.000	0.000	0.000	0.000
8	P	8	ASP	-1	-0.739	-0.856	7.819	-0.285	-0.285	0.000	0.000	0.000	0.000
9	P	9	THR	0	0.007	-0.001	6.982	0.193	0.193	0.000	0.000	0.000	0.000
10	P	10	SER	0	0.042	0.016	9.336	0.152	0.152	0.000	0.000	0.000	0.000
11	P	11	ALA	0	-0.010	-0.008	11.248	0.139	0.139	0.000	0.000	0.000	0.000
12	P	12	LEU	0	0.002	0.004	11.483	0.092	0.092	0.000	0.000	0.000	0.000
13	P	13	LEU	0	0.026	0.012	11.410	0.104	0.104	0.000	0.000	0.000	0.000
14	P	14	GLU	-1	-0.751	-0.885	14.829	-0.463	-0.463	0.000	0.000	0.000	0.000
15	P	15	ALA	0	-0.053	-0.004	16.887	0.068	0.068	0.000	0.000	0.000	0.000
16	P	16	ILE	0	0.031	0.001	15.703	0.044	0.044	0.000	0.000	0.000	0.000
17	P	17	SER	0	-0.051	-0.019	18.886	0.046	0.046	0.000	0.000	0.000	0.000
18	P	18	GLU	-1	-0.779	-0.868	20.792	-0.238	-0.238	0.000	0.000	0.000	0.000
19	P	19	TYR	0	0.013	-0.007	22.146	0.034	0.034	0.000	0.000	0.000	0.000
20	P	20	VAL	0	0.006	0.003	22.655	0.022	0.022	0.000	0.000	0.000	0.000
21	P	21	VAL	0	-0.025	-0.011	24.988	0.020	0.020	0.000	0.000	0.000	0.000
22	P	22	ARG	1	0.793	0.880	25.392	0.208	0.208	0.000	0.000	0.000	0.000
23	P	23	CYS	0	-0.025	0.003	26.661	0.016	0.016	0.000	0.000	0.000	0.000
24	P	24	ASN	0	-0.072	-0.021	29.353	0.011	0.011	0.000	0.000	0.000	0.000
25	P	25	GLY	0	0.024	0.007	31.242	0.003	0.003	0.000	0.000	0.000	0.000
26	P	26	ASP	-1	-0.899	-0.945	32.912	-0.115	-0.115	0.000	0.000	0.000	0.000
27	P	27	THR	0	-0.089	-0.048	30.397	0.003	0.003	0.000	0.000	0.000	0.000
28	P	28	PHE	0	-0.005	0.001	33.324	0.004	0.004	0.000	0.000	0.000	0.000
29	P	29	SER	0	0.008	-0.010	36.040	0.001	0.001	0.000	0.000	0.000	0.000
30	P	30	GLY	0	-0.008	0.006	37.495	0.003	0.003	0.000	0.000	0.000	0.000
31	P	31	LEU	0	-0.020	-0.012	35.979	0.005	0.005	0.000	0.000	0.000	0.000
32	P	32	THR	0	0.006	0.010	30.702	-0.005	-0.005	0.000	0.000	0.000	0.000
33	P	33	THR	0	0.023	0.023	30.131	0.004	0.004	0.000	0.000	0.000	0.000
34	P	34	GLY	0	0.050	0.017	28.905	-0.006	-0.006	0.000	0.000	0.000	0.000
35	P	35	ASP	-1	-0.842	-0.922	26.254	-0.162	-0.162	0.000	0.000	0.000	0.000
36	P	36	PHE	0	0.069	0.017	25.247	-0.021	-0.021	0.000	0.000	0.000	0.000
37	P	37	ASN	0	0.005	0.004	25.248	-0.010	-0.010	0.000	0.000	0.000	0.000
38	P	38	ALA	0	-0.006	0.007	22.313	-0.007	-0.007	0.000	0.000	0.000	0.000
39	P	39	LEU	0	-0.003	-0.010	20.857	-0.025	-0.025	0.000	0.000	0.000	0.000
40	P	40	SER	0	0.018	0.003	20.631	-0.022	-0.022	0.000	0.000	0.000	0.000
41	P	41	ASN	0	-0.073	-0.040	19.369	0.001	0.001	0.000	0.000	0.000	0.000
42	P	42	MET	0	-0.055	-0.020	16.470	-0.036	-0.036	0.000	0.000	0.000	0.000
43	P	43	PHE	0	0.019	-0.002	15.788	-0.059	-0.059	0.000	0.000	0.000	0.000
44	P	44	THR	0	0.021	0.013	16.168	-0.031	-0.031	0.000	0.000	0.000	0.000
45	P	45	GLN	0	0.004	0.001	12.203	-0.053	-0.053	0.000	0.000	0.000	0.000
46	P	46	LEU	0	-0.039	0.011	11.445	-0.118	-0.118	0.000	0.000	0.000	0.000
47	P	47	SER	0	-0.052	-0.012	10.930	-0.018	-0.018	0.000	0.000	0.000	0.000
48	P	55	SER	0	0.030	-0.005	23.820	0.003	0.003	0.000	0.000	0.000	0.000
49	P	56	ASP	-1	-0.786	-0.866	24.262	-0.199	-0.199	0.000	0.000	0.000	0.000
50	P	57	PRO	0	0.019	0.016	21.194	-0.012	-0.012	0.000	0.000	0.000	0.000
51	P	58	ARG	1	0.879	0.893	20.785	0.155	0.155	0.000	0.000	0.000	0.000
52	P	59	VAL	0	0.038	0.037	20.638	-0.017	-0.017	0.000	0.000	0.000	0.000
53	P	60	PRO	0	0.010	0.021	16.549	-0.023	-0.023	0.000	0.000	0.000	0.000
54	P	61	LEU	0	-0.002	0.002	16.338	-0.061	-0.061	0.000	0.000	0.000	0.000
55	P	62	GLN	0	0.020	0.007	16.727	-0.038	-0.038	0.000	0.000	0.000	0.000
56	P	63	THR	0	-0.049	-0.027	15.371	-0.005	-0.005	0.000	0.000	0.000	0.000
57	P	64	MET	0	-0.015	0.013	11.603	-0.062	-0.062	0.000	0.000	0.000	0.000
58	P	65	SER	0	0.005	-0.022	13.006	-0.058	-0.058	0.000	0.000	0.000	0.000
59	P	66	ASN	0	-0.017	-0.024	15.135	-0.031	-0.031	0.000	0.000	0.000	0.000
60	P	67	MET	0	-0.012	-0.003	12.025	-0.016	-0.016	0.000	0.000	0.000	0.000
61	P	68	PHE	0	0.014	0.013	9.263	-0.012	-0.012	0.000	0.000	0.000	0.000
62	P	69	VAL	0	0.024	0.007	11.582	-0.037	-0.037	0.000	0.000	0.000	0.000
63	P	70	SER	0	-0.031	0.003	13.961	0.025	0.025	0.000	0.000	0.000	0.000
64	P	71	PHE	0	-0.013	-0.019	5.297	-0.059	-0.059	0.000	0.000	0.000	0.000
65	P	72	ILE	0	-0.043	-0.032	9.322	-0.025	-0.025	0.000	0.000	0.000	0.000
66	P	73	THR	0	-0.008	-0.015	11.445	0.060	0.060	0.000	0.000	0.000	0.000
67	P	74	SER	0	-0.052	-0.037	12.778	0.052	0.052	0.000	0.000	0.000	0.000
68	P	75	THR	0	0.034	0.000	11.971	-0.069	-0.069	0.000	0.000	0.000	0.000
69	P	76	ASP	-1	-0.852	-0.903	12.360	-0.322	-0.322	0.000	0.000	0.000	0.000
70	P	77	ARG	1	0.805	0.887	9.283	0.438	0.438	0.000	0.000	0.000	0.000
71	P	78	CYS	0	-0.040	-0.020	7.326	-0.124	-0.124	0.000	0.000	0.000	0.000
72	P	79	GLY	0	0.090	0.045	8.176	-0.231	-0.231	0.000	0.000	0.000	0.000
73	P	80	TYR	0	-0.066	-0.051	1.967	-2.568	-4.487	7.577	-2.758	-2.900	-0.023
74	P	81	MET	0	-0.010	0.011	4.872	0.052	0.052	0.000	0.000	0.000	0.000
75	P	82	LEU	0	-0.013	0.008	7.272	0.202	0.202	0.000	0.000	0.000	0.000
76	P	83	ARG	1	0.994	1.002	10.215	0.446	0.446	0.000	0.000	0.000	0.000
77	P	84	LYS	1	0.913	0.957	11.145	0.113	0.113	0.000	0.000	0.000	0.000
78	P	85	THR	0	-0.005	-0.002	10.404	-0.030	-0.030	0.000	0.000	0.000	0.000
79	P	86	TRP	0	-0.026	-0.001	4.358	0.455	0.682	-0.001	-0.092	-0.132	0.000
80	P	87	PHE	0	0.036	0.021	8.692	-0.056	-0.056	0.000	0.000	0.000	0.000
81	P	88	ASN	0	-0.034	-0.027	11.354	0.109	0.109	0.000	0.000	0.000	0.000
82	P	89	SER	0	0.004	0.014	10.537	0.187	0.187	0.000	0.000	0.000	0.000
83	P	90	ASP	-1	-0.820	-0.873	7.852	-0.350	-0.350	0.000	0.000	0.000	0.000
84	P	91	THR	0	-0.001	-0.005	6.724	0.571	0.571	0.000	0.000	0.000	0.000
85	P	92	LYS	1	0.958	0.972	3.777	-4.011	-3.753	0.002	-0.066	-0.194	0.000
86	P	93	PRO	0	-0.010	0.011	2.285	-0.684	-0.521	2.598	-0.903	-1.858	-0.002
87	P	94	THR	0	0.006	0.001	3.747	0.068	0.656	0.005	-0.158	-0.434	-0.001
88	P	95	VAL	0	-0.035	-0.013	3.503	-0.861	-0.462	0.016	-0.083	-0.332	0.000
89	P	96	SER	0	0.008	0.001	4.560	0.508	0.712	-0.001	-0.013	-0.190	0.000
90	P	97	ASP	-1	-0.741	-0.848	6.352	-0.644	-0.644	0.000	0.000	0.000	0.000
91	P	98	ASP	-1	-0.824	-0.891	6.900	-0.003	-0.003	0.000	0.000	0.000	0.000
92	P	99	PHE	0	-0.017	0.004	6.519	-0.180	-0.180	0.000	0.000	0.000	0.000
93	P	100	ILE	0	-0.023	-0.022	2.461	-1.066	-1.141	4.045	-1.144	-2.826	0.002
94	P	101	THR	0	-0.025	-0.031	3.891	-1.699	-1.284	0.003	-0.131	-0.287	-0.001
95	P	102	THR	0	-0.023	-0.012	4.832	-0.209	-0.154	-0.001	0.000	-0.054	0.000
96	P	103	TYR	0	-0.011	-0.010	6.547	0.032	0.032	0.000	0.000	0.000	0.000
97	P	104	ILE	0	-0.041	0.004	2.175	-1.150	-0.529	1.954	-0.839	-1.735	-0.006
98	P	105	ARG	1	0.895	0.934	2.596	-2.896	-1.507	2.091	-1.363	-2.117	-0.015
99	P	106	PRO	0	-0.021	-0.027	3.316	-0.017	0.294	0.020	-0.022	-0.308	0.000
100	P	107	ARG	1	0.759	0.863	6.313	1.050	1.050	0.000	0.000	0.000	0.000
101	P	108	LEU	0	-0.030	-0.003	9.748	0.066	0.066	0.000	0.000	0.000	0.000
102	P	109	GLN	0	0.036	0.023	12.259	0.089	0.089	0.000	0.000	0.000	0.000
103	P	110	VAL	0	0.008	0.036	12.828	-0.027	-0.027	0.000	0.000	0.000	0.000
104	P	111	PRO	0	0.034	-0.004	15.086	0.021	0.021	0.000	0.000	0.000	0.000
105	P	112	MET	0	0.043	0.023	17.787	-0.036	-0.036	0.000	0.000	0.000	0.000
106	P	113	SER	0	0.012	-0.013	15.998	-0.030	-0.030	0.000	0.000	0.000	0.000
107	P	114	ASP	-1	-0.830	-0.870	17.408	-0.146	-0.146	0.000	0.000	0.000	0.000
108	P	115	THR	0	-0.006	-0.017	19.014	-0.005	-0.005	0.000	0.000	0.000	0.000
109	P	116	VAL	0	0.037	0.015	21.175	-0.004	-0.004	0.000	0.000	0.000	0.000
110	P	117	ARG	1	0.842	0.900	17.708	0.177	0.177	0.000	0.000	0.000	0.000
111	P	118	GLN	0	-0.056	-0.045	21.447	0.005	0.005	0.000	0.000	0.000	0.000
112	P	119	LEU	0	0.015	0.005	24.563	0.002	0.002	0.000	0.000	0.000	0.000
113	P	120	ASN	0	-0.008	0.001	24.778	0.003	0.003	0.000	0.000	0.000	0.000
114	P	121	ASN	0	-0.057	-0.029	24.314	-0.009	-0.009	0.000	0.000	0.000	0.000
115	P	122	LEU	0	0.026	0.014	27.486	0.002	0.002	0.000	0.000	0.000	0.000
116	P	123	SER	0	-0.059	-0.024	29.523	0.007	0.007	0.000	0.000	0.000	0.000
117	P	124	LEU	0	0.039	0.008	31.873	-0.004	-0.004	0.000	0.000	0.000	0.000
118	P	125	GLN	0	-0.037	-0.018	33.139	0.005	0.005	0.000	0.000	0.000	0.000
119	P	126	PRO	0	0.027	0.029	28.041	-0.007	-0.007	0.000	0.000	0.000	0.000
120	P	127	SER	0	-0.013	-0.010	26.319	0.009	0.009	0.000	0.000	0.000	0.000
121	P	128	ALA	0	0.045	0.011	28.182	-0.005	-0.005	0.000	0.000	0.000	0.000
122	P	129	LYS	1	0.820	0.897	26.650	0.246	0.246	0.000	0.000	0.000	0.000
123	P	130	PRO	0	-0.011	0.031	22.766	-0.011	-0.011	0.000	0.000	0.000	0.000
124	P	131	LYS	1	0.840	0.892	18.747	0.353	0.353	0.000	0.000	0.000	0.000
125	P	132	LEU	0	0.001	-0.007	16.452	0.007	0.007	0.000	0.000	0.000	0.000
126	P	133	TYR	0	0.013	0.001	12.947	0.026	0.026	0.000	0.000	0.000	0.000
127	P	134	GLU	-1	-0.852	-0.902	15.991	-0.257	-0.257	0.000	0.000	0.000	0.000
128	P	135	ARG	1	0.848	0.903	19.026	0.342	0.342	0.000	0.000	0.000	0.000
129	P	136	GLN	0	-0.018	-0.022	12.591	0.006	0.006	0.000	0.000	0.000	0.000
130	P	137	ASN	0	-0.008	-0.014	14.258	0.011	0.011	0.000	0.000	0.000	0.000
131	P	138	ALA	0	0.016	0.030	16.256	0.034	0.034	0.000	0.000	0.000	0.000
132	P	139	ILE	0	-0.013	-0.005	17.172	0.026	0.026	0.000	0.000	0.000	0.000
133	P	140	MET	0	-0.068	-0.013	9.968	0.027	0.027	0.000	0.000	0.000	0.000
134	P	141	LYS	1	0.802	0.887	12.015	0.433	0.433	0.000	0.000	0.000	0.000
135	P	142	GLY	0	0.026	0.036	17.008	0.051	0.051	0.000	0.000	0.000	0.000
136	P	143	LEU	0	-0.046	-0.026	17.083	0.032	0.032	0.000	0.000	0.000	0.000
137	P	144	ASP	-1	-0.757	-0.859	20.980	-0.155	-0.155	0.000	0.000	0.000	0.000
138	P	145	ILE	0	-0.022	0.010	23.477	-0.016	-0.016	0.000	0.000	0.000	0.000
139	P	146	PRO	0	-0.016	-0.014	24.514	0.020	0.020	0.000	0.000	0.000	0.000
140	P	147	TYR	0	0.035	0.017	27.633	-0.004	-0.004	0.000	0.000	0.000	0.000
141	P	148	SER	0	-0.016	-0.013	31.069	0.004	0.004	0.000	0.000	0.000	0.000
142	P	149	GLH	0	-0.092	-0.066	25.394	-0.004	-0.004	0.000	0.000	0.000	0.000
143	P	150	PRO	0	0.009	0.008	30.698	0.002	0.002	0.000	0.000	0.000	0.000
144	P	151	ILE	0	-0.033	-0.030	28.955	-0.016	-0.016	0.000	0.000	0.000	0.000
145	P	152	GLU	-1	-0.781	-0.867	31.693	-0.174	-0.174	0.000	0.000	0.000	0.000
146	P	153	PRO	0	0.000	0.011	32.965	-0.009	-0.009	0.000	0.000	0.000	0.000
147	P	154	CYS	0	-0.096	-0.053	34.860	-0.004	-0.004	0.000	0.000	0.000	0.000
148	P	155	LYS	1	0.832	0.896	28.514	0.218	0.218	0.000	0.000	0.000	0.000
149	P	156	LEU	0	0.008	0.006	30.142	-0.010	-0.010	0.000	0.000	0.000	0.000
150	P	157	PHE	0	-0.060	-0.011	31.872	0.002	0.002	0.000	0.000	0.000	0.000
151	P	158	ARG	1	0.785	0.881	25.864	0.208	0.208	0.000	0.000	0.000	0.000
152	P	159	SER	0	-0.054	-0.046	32.984	0.005	0.005	0.000	0.000	0.000	0.000
153	P	160	VAL	0	-0.003	-0.009	35.528	0.000	0.000	0.000	0.000	0.000	0.000
154	P	161	ALA	0	0.041	0.015	38.344	0.001	0.001	0.000	0.000	0.000	0.000
155	P	162	GLY	0	-0.012	0.017	41.318	0.003	0.003	0.000	0.000	0.000	0.000
156	P	163	GLN	0	0.027	-0.002	41.174	0.006	0.006	0.000	0.000	0.000	0.000
157	P	164	THR	0	0.049	0.019	38.372	-0.005	-0.005	0.000	0.000	0.000	0.000
158	P	165	GLY	0	-0.018	0.002	37.630	-0.009	-0.009	0.000	0.000	0.000	0.000
159	P	166	ASN	0	0.030	0.018	37.494	0.011	0.011	0.000	0.000	0.000	0.000
160	P	167	ILE	0	0.044	0.012	37.654	0.005	0.005	0.000	0.000	0.000	0.000
161	P	168	PRO	0	0.001	-0.008	38.934	0.005	0.005	0.000	0.000	0.000	0.000
162	P	169	MET	0	0.023	0.023	42.103	0.005	0.005	0.000	0.000	0.000	0.000
163	P	170	MET	0	-0.008	0.032	42.402	0.005	0.005	0.000	0.000	0.000	0.000
164	P	171	GLY	0	0.028	0.020	45.681	0.004	0.004	0.000	0.000	0.000	0.000
165	P	172	ILE	0	-0.003	0.000	46.274	0.004	0.004	0.000	0.000	0.000	0.000
166	P	173	LEU	0	-0.012	-0.017	46.472	0.004	0.004	0.000	0.000	0.000	0.000
167	P	174	ALA	0	0.024	0.026	49.881	0.003	0.003	0.000	0.000	0.000	0.000
168	P	175	THR	0	-0.046	-0.015	51.748	0.003	0.003	0.000	0.000	0.000	0.000
169	P	176	PRO	0	-0.009	-0.013	53.922	0.000	0.000	0.000	0.000	0.000	0.000
170	P	177	PRO	0	-0.049	0.008	55.651	0.000	0.000	0.000	0.000	0.000	0.000
171	P	178	ALA	0	0.014	-0.008	57.216	0.002	0.002	0.000	0.000	0.000	0.000
172	P	179	ALA	0	-0.007	-0.004	58.828	0.002	0.002	0.000	0.000	0.000	0.000
173	P	180	GLN	0	0.015	0.004	57.120	-0.001	-0.001	0.000	0.000	0.000	0.000
174	P	181	GLN	0	-0.020	0.000	53.048	-0.002	-0.002	0.000	0.000	0.000	0.000
175	P	182	GLN	0	0.040	0.008	49.771	0.003	0.003	0.000	0.000	0.000	0.000
176	P	183	PRO	0	-0.013	0.005	48.989	-0.001	-0.001	0.000	0.000	0.000	0.000
177	P	184	PHE	0	-0.020	-0.008	46.374	-0.002	-0.002	0.000	0.000	0.000	0.000
178	P	185	PHE	0	0.035	-0.007	40.769	0.001	0.001	0.000	0.000	0.000	0.000
179	P	186	VAL	0	-0.013	-0.002	41.148	-0.005	-0.005	0.000	0.000	0.000	0.000
180	P	187	ALA	0	0.023	0.009	37.840	0.003	0.003	0.000	0.000	0.000	0.000
181	P	188	GLU	-1	-0.729	-0.831	39.167	-0.106	-0.106	0.000	0.000	0.000	0.000
182	P	189	ARG	1	0.881	0.887	32.743	0.164	0.164	0.000	0.000	0.000	0.000
183	P	190	ARG	1	0.821	0.873	36.737	0.106	0.106	0.000	0.000	0.000	0.000
184	P	191	ARG	1	0.834	0.888	39.429	0.096	0.096	0.000	0.000	0.000	0.000
185	P	192	ILE	0	-0.043	-0.015	38.392	-0.007	-0.007	0.000	0.000	0.000	0.000
186	P	193	LEU	0	-0.002	0.003	42.333	0.005	0.005	0.000	0.000	0.000	0.000
187	P	194	PHE	0	-0.017	-0.006	44.959	-0.003	-0.003	0.000	0.000	0.000	0.000
188	P	195	GLY	0	0.039	0.022	47.439	0.003	0.003	0.000	0.000	0.000	0.000
189	P	196	ILE	0	0.013	0.009	50.664	-0.001	-0.001	0.000	0.000	0.000	0.000
190	P	197	ARG	1	0.855	0.941	51.374	0.070	0.070	0.000	0.000	0.000	0.000
191	P	198	SER	0	-0.006	-0.026	54.965	0.001	0.001	0.000	0.000	0.000	0.000
192	P	199	ASN	0	0.016	0.014	58.619	-0.001	-0.001	0.000	0.000	0.000	0.000
193	P	200	ALA	0	-0.006	-0.003	61.780	0.002	0.002	0.000	0.000	0.000	0.000
194	P	201	ALA	0	-0.017	-0.012	62.323	-0.002	-0.002	0.000	0.000	0.000	0.000
195	P	202	ILE	0	0.008	0.019	57.582	0.001	0.001	0.000	0.000	0.000	0.000
196	P	203	PRO	0	0.005	-0.003	61.663	0.000	0.000	0.000	0.000	0.000	0.000
197	P	204	ALA	0	0.030	0.020	61.838	-0.001	-0.001	0.000	0.000	0.000	0.000
198	P	205	GLY	0	0.011	0.008	61.332	0.002	0.002	0.000	0.000	0.000	0.000
199	P	206	ALA	0	0.000	0.005	57.240	-0.002	-0.002	0.000	0.000	0.000	0.000
200	P	207	TYR	0	-0.060	-0.048	54.506	0.000	0.000	0.000	0.000	0.000	0.000
201	P	208	GLN	0	0.016	0.014	50.733	-0.003	-0.003	0.000	0.000	0.000	0.000
202	P	209	PHE	0	-0.038	-0.020	47.516	-0.001	-0.001	0.000	0.000	0.000	0.000
203	P	210	VAL	0	-0.006	-0.004	44.705	0.000	0.000	0.000	0.000	0.000	0.000
204	P	211	VAL	0	0.013	0.018	40.240	-0.004	-0.004	0.000	0.000	0.000	0.000
205	P	212	PRO	0	-0.014	0.013	38.896	0.000	0.000	0.000	0.000	0.000	0.000
206	P	213	ALA	0	0.048	0.006	35.314	-0.003	-0.003	0.000	0.000	0.000	0.000
207	P	214	TRP	0	-0.011	0.002	33.751	-0.003	-0.003	0.000	0.000	0.000	0.000
208	P	215	ALA	0	0.051	0.023	34.543	-0.006	-0.006	0.000	0.000	0.000	0.000
209	P	216	SER	0	-0.067	-0.030	36.051	0.003	0.003	0.000	0.000	0.000	0.000
210	P	217	VAL	0	-0.007	-0.012	31.899	0.005	0.005	0.000	0.000	0.000	0.000
211	P	218	LEU	0	-0.015	0.008	34.049	-0.005	-0.005	0.000	0.000	0.000	0.000
212	P	219	SER	0	0.004	0.006	36.158	0.011	0.011	0.000	0.000	0.000	0.000
213	P	220	VAL	0	-0.018	0.002	37.796	-0.007	-0.007	0.000	0.000	0.000	0.000
214	P	221	THR	0	0.028	0.001	39.214	0.006	0.006	0.000	0.000	0.000	0.000
215	P	222	GLY	0	0.038	0.017	41.630	-0.003	-0.003	0.000	0.000	0.000	0.000
216	P	223	ALA	0	-0.031	-0.008	43.388	-0.002	-0.002	0.000	0.000	0.000	0.000
217	P	224	TYR	0	0.040	0.025	45.226	0.003	0.003	0.000	0.000	0.000	0.000
218	P	225	VAL	0	-0.005	-0.011	47.459	-0.004	-0.004	0.000	0.000	0.000	0.000
219	P	226	TYR	0	-0.032	-0.024	47.464	0.004	0.004	0.000	0.000	0.000	0.000
220	P	227	PHE	0	0.031	0.013	51.446	-0.002	-0.002	0.000	0.000	0.000	0.000
221	P	228	THR	0	-0.013	-0.015	49.123	-0.001	-0.001	0.000	0.000	0.000	0.000
222	P	229	ASN	0	0.020	-0.006	52.627	0.002	0.002	0.000	0.000	0.000	0.000
223	P	230	SER	0	0.003	0.004	49.527	0.000	0.000	0.000	0.000	0.000	0.000
224	P	231	PHE	0	0.016	-0.001	41.381	-0.001	-0.001	0.000	0.000	0.000	0.000
225	P	232	PHE	0	-0.050	-0.049	38.144	-0.003	-0.003	0.000	0.000	0.000	0.000
226	P	233	GLY	0	0.014	0.026	43.958	-0.002	-0.002	0.000	0.000	0.000	0.000
227	P	234	THR	0	-0.020	-0.026	46.367	0.004	0.004	0.000	0.000	0.000	0.000
228	P	235	ILE	0	0.002	0.000	48.849	0.000	0.000	0.000	0.000	0.000	0.000
229	P	236	ILE	0	-0.041	-0.013	48.866	-0.002	-0.002	0.000	0.000	0.000	0.000
230	P	237	ALA	0	0.012	0.004	52.349	0.003	0.003	0.000	0.000	0.000	0.000
231	P	238	GLY	0	0.024	-0.008	55.006	-0.001	-0.001	0.000	0.000	0.000	0.000
232	P	239	VAL	0	-0.016	-0.008	53.293	0.000	0.000	0.000	0.000	0.000	0.000
233	P	240	THR	0	-0.040	-0.026	56.705	0.001	0.001	0.000	0.000	0.000	0.000
234	P	241	ALA	0	0.017	0.014	55.721	0.000	0.000	0.000	0.000	0.000	0.000
235	P	242	THR	0	-0.014	0.001	57.564	0.000	0.000	0.000	0.000	0.000	0.000
236	P	243	ALA	0	0.006	0.004	60.871	0.000	0.000	0.000	0.000	0.000	0.000
237	P	244	THR	0	-0.011	-0.009	62.733	0.000	0.000	0.000	0.000	0.000	0.000
238	P	245	ALA	0	-0.026	-0.019	64.881	0.000	0.000	0.000	0.000	0.000	0.000
239	P	246	ALA	0	-0.001	-0.003	66.317	0.001	0.001	0.000	0.000	0.000	0.000
240	P	247	ASP	-1	-0.817	-0.888	63.490	-0.043	-0.043	0.000	0.000	0.000	0.000
241	P	248	ALA	0	0.011	0.006	64.792	0.000	0.000	0.000	0.000	0.000	0.000
242	P	249	ALA	0	0.006	-0.010	60.562	-0.002	-0.002	0.000	0.000	0.000	0.000
243	P	250	THR	0	0.002	0.013	56.009	0.000	0.000	0.000	0.000	0.000	0.000
244	P	251	THR	0	-0.035	-0.004	55.338	-0.001	-0.001	0.000	0.000	0.000	0.000
245	P	252	PHE	0	0.003	-0.002	47.635	-0.001	-0.001	0.000	0.000	0.000	0.000
246	P	253	THR	0	0.063	0.040	51.283	0.000	0.000	0.000	0.000	0.000	0.000
247	P	254	VAL	0	0.058	0.015	45.077	-0.003	-0.003	0.000	0.000	0.000	0.000
248	P	255	PRO	0	0.035	0.040	44.937	0.002	0.002	0.000	0.000	0.000	0.000
249	P	256	THR	0	-0.148	-0.093	42.481	-0.002	-0.002	0.000	0.000	0.000	0.000
250	P	257	ASP	-1	-0.828	-0.908	45.752	-0.048	-0.048	0.000	0.000	0.000	0.000
251	P	258	ALA	0	-0.020	0.004	48.813	0.000	0.000	0.000	0.000	0.000	0.000
252	P	259	ASN	0	-0.084	-0.047	51.904	0.003	0.003	0.000	0.000	0.000	0.000
253	P	260	ASN	0	-0.029	-0.021	52.538	-0.001	-0.001	0.000	0.000	0.000	0.000
254	P	261	LEU	0	0.009	0.017	48.165	0.000	0.000	0.000	0.000	0.000	0.000
255	P	262	PRO	0	0.000	-0.009	52.359	0.000	0.000	0.000	0.000	0.000	0.000
256	P	263	VAL	0	-0.007	-0.011	52.483	-0.003	-0.003	0.000	0.000	0.000	0.000
257	P	264	GLN	0	0.006	-0.002	53.983	0.000	0.000	0.000	0.000	0.000	0.000
258	P	265	THR	0	0.003	0.010	54.568	0.002	0.002	0.000	0.000	0.000	0.000
259	P	266	ASP	-1	-0.909	-0.956	53.589	-0.058	-0.058	0.000	0.000	0.000	0.000
260	P	267	SER	0	-0.032	-0.024	52.765	-0.001	-0.001	0.000	0.000	0.000	0.000
261	P	268	ARG	1	0.832	0.916	43.870	0.077	0.077	0.000	0.000	0.000	0.000
262	P	269	LEU	0	0.045	0.039	47.729	0.001	0.001	0.000	0.000	0.000	0.000
263	P	270	SER	0	-0.046	-0.042	43.368	-0.005	-0.005	0.000	0.000	0.000	0.000
264	P	271	PHE	0	0.019	0.020	43.100	0.004	0.004	0.000	0.000	0.000	0.000
265	P	272	SER	0	0.045	0.025	39.749	-0.007	-0.007	0.000	0.000	0.000	0.000
266	P	273	LEU	0	0.026	0.001	39.488	0.004	0.004	0.000	0.000	0.000	0.000
267	P	274	GLY	0	0.008	0.000	38.344	-0.001	-0.001	0.000	0.000	0.000	0.000
268	P	275	GLY	0	0.016	-0.001	39.266	0.002	0.002	0.000	0.000	0.000	0.000
269	P	276	GLY	0	-0.021	-0.012	42.102	0.004	0.004	0.000	0.000	0.000	0.000
270	P	277	ASN	0	-0.031	-0.025	43.950	-0.007	-0.007	0.000	0.000	0.000	0.000
271	P	278	ILE	0	0.021	0.024	45.335	0.002	0.002	0.000	0.000	0.000	0.000
272	P	279	ASN	0	-0.025	-0.027	48.034	0.001	0.001	0.000	0.000	0.000	0.000
273	P	280	LEU	0	-0.012	0.005	51.872	0.001	0.001	0.000	0.000	0.000	0.000
274	P	281	GLU	-1	-0.913	-0.966	53.680	-0.039	-0.039	0.000	0.000	0.000	0.000
275	P	282	LEU	0	-0.017	-0.004	57.257	0.000	0.000	0.000	0.000	0.000	0.000
276	P	283	GLY	0	0.038	0.016	58.939	0.002	0.002	0.000	0.000	0.000	0.000
277	P	284	VAL	0	-0.038	-0.024	61.835	0.002	0.002	0.000	0.000	0.000	0.000
278	P	285	ALA	0	0.000	0.008	62.086	-0.002	-0.002	0.000	0.000	0.000	0.000
279	P	286	LYS	1	0.844	0.913	59.327	0.048	0.048	0.000	0.000	0.000	0.000
280	P	287	THR	0	-0.011	0.008	61.334	0.000	0.000	0.000	0.000	0.000	0.000
281	P	288	GLY	0	0.056	0.035	57.716	-0.002	-0.002	0.000	0.000	0.000	0.000
282	P	289	PHE	0	-0.006	-0.013	53.198	0.000	0.000	0.000	0.000	0.000	0.000
283	P	290	CYS	0	-0.011	-0.022	49.568	-0.003	-0.003	0.000	0.000	0.000	0.000
284	P	291	VAL	0	0.012	0.025	49.450	0.002	0.002	0.000	0.000	0.000	0.000
285	P	292	ALA	0	-0.006	-0.004	47.055	-0.004	-0.004	0.000	0.000	0.000	0.000
286	P	293	ILE	0	0.032	0.013	43.538	0.003	0.003	0.000	0.000	0.000	0.000
287	P	294	GLU	-1	-0.853	-0.925	43.244	-0.097	-0.097	0.000	0.000	0.000	0.000
288	P	295	GLY	0	0.023	0.009	41.911	0.006	0.006	0.000	0.000	0.000	0.000
289	P	296	GLU	-1	-0.792	-0.841	37.150	-0.120	-0.120	0.000	0.000	0.000	0.000
290	P	297	PHE	0	-0.006	0.000	36.117	0.004	0.004	0.000	0.000	0.000	0.000
291	P	298	THR	0	0.002	0.005	33.110	-0.007	-0.007	0.000	0.000	0.000	0.000
292	P	299	ILE	0	-0.027	-0.018	28.251	0.002	0.002	0.000	0.000	0.000	0.000
293	P	300	LEU	0	-0.019	-0.004	32.171	0.002	0.002	0.000	0.000	0.000	0.000
294	P	301	ALA	0	0.049	0.013	30.744	-0.009	-0.009	0.000	0.000	0.000	0.000
295	P	302	ASN	0	-0.087	-0.049	27.932	0.016	0.016	0.000	0.000	0.000	0.000
296	P	303	ARG	1	0.886	0.943	29.613	0.095	0.095	0.000	0.000	0.000	0.000
297	P	304	SER	0	-0.012	-0.011	26.051	-0.014	-0.014	0.000	0.000	0.000	0.000
298	P	305	GLN	0	0.015	-0.012	23.958	-0.017	-0.017	0.000	0.000	0.000	0.000
299	P	306	ALA	0	-0.002	0.008	25.515	-0.013	-0.013	0.000	0.000	0.000	0.000
300	P	307	TYR	0	-0.049	-0.032	26.216	-0.004	-0.004	0.000	0.000	0.000	0.000
301	P	308	TYR	0	0.095	0.024	21.613	-0.019	-0.019	0.000	0.000	0.000	0.000
302	P	309	THR	0	-0.052	-0.049	21.291	-0.035	-0.035	0.000	0.000	0.000	0.000
303	P	310	LEU	0	-0.044	-0.025	22.107	0.008	0.008	0.000	0.000	0.000	0.000
304	P	311	ASN	0	0.027	0.015	25.184	0.011	0.011	0.000	0.000	0.000	0.000
305	P	312	SER	0	0.022	0.018	27.704	0.009	0.009	0.000	0.000	0.000	0.000
306	P	313	ILE	0	-0.024	0.003	26.904	0.008	0.008	0.000	0.000	0.000	0.000
307	P	314	THR	0	0.027	0.003	30.645	0.004	0.004	0.000	0.000	0.000	0.000
308	P	315	GLN	0	-0.027	-0.005	33.313	0.012	0.012	0.000	0.000	0.000	0.000
309	P	316	THR	0	-0.013	0.000	32.239	-0.013	-0.013	0.000	0.000	0.000	0.000
310	P	317	PRO	0	0.047	0.031	32.670	0.006	0.006	0.000	0.000	0.000	0.000
311	P	318	THR	0	0.035	-0.002	29.863	0.010	0.010	0.000	0.000	0.000	0.000
312	P	319	SER	0	-0.038	-0.008	32.190	-0.005	-0.005	0.000	0.000	0.000	0.000
313	P	320	ILE	0	-0.005	-0.004	25.315	0.003	0.003	0.000	0.000	0.000	0.000
314	P	321	ASP	-1	-0.686	-0.798	26.726	-0.248	-0.248	0.000	0.000	0.000	0.000
315	P	322	ASP	-1	-0.775	-0.892	23.675	-0.317	-0.317	0.000	0.000	0.000	0.000
316	P	323	PHE	0	-0.021	-0.001	21.502	-0.036	-0.036	0.000	0.000	0.000	0.000
317	P	324	ASP	-1	-0.747	-0.833	23.074	-0.275	-0.275	0.000	0.000	0.000	0.000
318	P	325	VAL	0	-0.021	-0.013	18.751	-0.009	-0.009	0.000	0.000	0.000	0.000
319	P	326	SER	0	-0.042	-0.056	21.512	-0.008	-0.008	0.000	0.000	0.000	0.000
320	P	327	ASP	-1	-0.862	-0.915	24.335	-0.259	-0.259	0.000	0.000	0.000	0.000
321	P	328	PHE	0	-0.004	0.001	20.268	0.000	0.000	0.000	0.000	0.000	0.000
322	P	329	LEU	0	-0.016	-0.017	18.485	-0.008	-0.008	0.000	0.000	0.000	0.000
323	P	330	THR	0	0.001	0.006	21.738	0.005	0.005	0.000	0.000	0.000	0.000
324	P	331	THR	0	0.005	0.010	21.748	0.003	0.003	0.000	0.000	0.000	0.000
325	P	332	PHE	0	0.015	0.008	17.627	0.008	0.008	0.000	0.000	0.000	0.000
326	P	333	LEU	0	0.003	-0.002	21.237	0.014	0.014	0.000	0.000	0.000	0.000
327	P	334	SER	0	-0.016	-0.013	23.917	0.029	0.029	0.000	0.000	0.000	0.000
328	P	335	GLN	0	-0.058	-0.028	22.055	0.035	0.035	0.000	0.000	0.000	0.000
329	P	336	LEU	0	-0.010	-0.003	20.071	0.018	0.018	0.000	0.000	0.000	0.000
330	P	337	ARG	1	0.906	0.957	23.847	0.254	0.254	0.000	0.000	0.000	0.000
331	P	338	ALA	0	-0.019	-0.001	27.143	0.016	0.016	0.000	0.000	0.000	0.000
332	P	339	CYS	0	-0.116	-0.055	24.416	0.003	0.003	0.000	0.000	0.000	0.000
333	P	340	GLY	0	0.024	0.015	26.938	0.003	0.003	0.000	0.000	0.000	0.000
334	P	341	GLN	0	0.022	-0.003	21.291	0.016	0.016	0.000	0.000	0.000	0.000
335	P	342	TYR	0	-0.042	-0.011	23.236	-0.024	-0.024	0.000	0.000	0.000	0.000
336	P	343	GLU	-1	-0.831	-0.930	24.197	-0.232	-0.232	0.000	0.000	0.000	0.000
337	P	344	ILE	0	0.045	0.031	21.630	-0.012	-0.012	0.000	0.000	0.000	0.000
338	P	345	PHE	0	0.035	-0.004	15.663	-0.025	-0.025	0.000	0.000	0.000	0.000
339	P	346	SER	0	-0.018	-0.017	19.981	-0.035	-0.035	0.000	0.000	0.000	0.000
340	P	347	ASP	-1	-0.887	-0.935	21.990	-0.245	-0.245	0.000	0.000	0.000	0.000
341	P	348	ALA	0	-0.025	-0.010	17.586	-0.008	-0.008	0.000	0.000	0.000	0.000
342	P	349	MET	0	-0.013	-0.012	14.429	-0.065	-0.065	0.000	0.000	0.000	0.000
343	P	350	ASP	-1	-0.780	-0.844	18.442	-0.323	-0.323	0.000	0.000	0.000	0.000
344	P	351	GLN	0	0.023	0.025	17.966	0.016	0.016	0.000	0.000	0.000	0.000
345	P	352	LEU	0	-0.035	-0.011	12.108	-0.016	-0.016	0.000	0.000	0.000	0.000
346	P	353	THR	0	-0.051	-0.050	16.060	-0.021	-0.021	0.000	0.000	0.000	0.000
347	P	354	ASN	0	0.004	-0.011	18.312	0.017	0.017	0.000	0.000	0.000	0.000
348	P	355	SER	0	-0.009	0.025	15.442	0.003	0.003	0.000	0.000	0.000	0.000
349	P	356	LEU	0	-0.024	-0.013	13.293	0.007	0.007	0.000	0.000	0.000	0.000
350	P	357	ILE	0	-0.004	-0.016	15.761	0.026	0.026	0.000	0.000	0.000	0.000
351	P	358	THR	0	-0.014	-0.010	18.881	0.036	0.036	0.000	0.000	0.000	0.000
352	P	359	ASN	0	-0.054	-0.031	13.899	0.088	0.088	0.000	0.000	0.000	0.000
353	P	360	TYR	0	-0.053	-0.073	14.523	0.051	0.051	0.000	0.000	0.000	0.000
354	P	361	MET	0	-0.041	0.000	18.911	0.022	0.022	0.000	0.000	0.000	0.000
355	P	362	ASP	-1	-0.886	-0.942	21.765	-0.080	-0.080	0.000	0.000	0.000	0.000
356	P	363	PRO	0	0.026	-0.002	24.238	0.007	0.007	0.000	0.000	0.000	0.000
357	P	364	PRO	0	-0.061	-0.019	20.370	-0.012	-0.012	0.000	0.000	0.000	0.000
358	P	365	ALA	0	-0.010	0.002	22.394	0.005	0.005	0.000	0.000	0.000	0.000
359	P	366	ILE	0	0.013	0.009	22.763	-0.012	-0.012	0.000	0.000	0.000	0.000
360	P	367	PRO	0	-0.005	0.006	24.334	0.017	0.017	0.000	0.000	0.000	0.000
361	P	368	ALA	0	0.033	0.007	27.312	-0.004	-0.004	0.000	0.000	0.000	0.000
362	P	369	GLY	0	-0.001	-0.009	30.815	0.000	0.000	0.000	0.000	0.000	0.000
363	P	370	LEU	0	-0.041	-0.010	24.119	-0.002	-0.002	0.000	0.000	0.000	0.000
364	P	371	ALA	0	0.029	0.013	28.776	0.001	0.001	0.000	0.000	0.000	0.000
365	P	372	PHE	0	-0.016	-0.009	22.952	-0.004	-0.004	0.000	0.000	0.000	0.000
366	P	373	THR	0	0.012	0.006	28.194	0.003	0.003	0.000	0.000	0.000	0.000
367	P	374	SER	0	-0.037	-0.032	28.064	0.003	0.003	0.000	0.000	0.000	0.000
368	P	375	PRO	0	0.048	0.029	25.089	-0.010	-0.010	0.000	0.000	0.000	0.000
369	P	376	TRP	0	0.062	0.017	18.661	-0.016	-0.016	0.000	0.000	0.000	0.000
370	P	377	PHE	0	0.024	0.016	21.683	-0.012	-0.012	0.000	0.000	0.000	0.000
371	P	378	ARG	1	0.804	0.878	22.703	0.217	0.217	0.000	0.000	0.000	0.000
372	P	379	PHE	0	0.051	0.020	19.123	0.020	0.020	0.000	0.000	0.000	0.000
373	P	380	SER	0	-0.025	-0.010	23.447	0.010	0.010	0.000	0.000	0.000	0.000
374	P	381	GLU	-1	-0.750	-0.830	26.501	-0.201	-0.201	0.000	0.000	0.000	0.000
375	P	382	ARG	1	0.787	0.874	21.619	0.321	0.321	0.000	0.000	0.000	0.000
376	P	383	ALA	0	0.029	0.018	23.511	0.003	0.003	0.000	0.000	0.000	0.000
377	P	384	ARG	1	0.902	0.928	24.565	0.179	0.179	0.000	0.000	0.000	0.000
378	P	385	THR	0	-0.043	-0.032	26.638	0.017	0.017	0.000	0.000	0.000	0.000
379	P	386	ILE	0	0.013	0.003	21.285	0.012	0.012	0.000	0.000	0.000	0.000
380	P	387	LEU	0	-0.016	-0.029	25.535	0.015	0.015	0.000	0.000	0.000	0.000
381	P	388	ALA	0	-0.003	0.009	27.564	0.016	0.016	0.000	0.000	0.000	0.000
382	P	389	LEU	0	0.000	0.020	25.654	0.013	0.013	0.000	0.000	0.000	0.000
383	P	390	GLN	0	-0.037	-0.040	29.505	0.006	0.006	0.000	0.000	0.000	0.000
384	P	391	ASN	0	-0.034	-0.005	30.674	0.002	0.002	0.000	0.000	0.000	0.000
385	P	392	VAL	0	0.026	0.015	25.000	0.001	0.001	0.000	0.000	0.000	0.000
386	P	393	ASP	-1	-0.741	-0.874	26.405	-0.135	-0.135	0.000	0.000	0.000	0.000
387	P	394	LEU	0	0.001	0.006	26.516	-0.018	-0.018	0.000	0.000	0.000	0.000
388	P	395	ASN	0	-0.038	-0.028	24.971	-0.019	-0.019	0.000	0.000	0.000	0.000
389	P	396	ILE	0	0.025	0.010	21.622	-0.028	-0.028	0.000	0.000	0.000	0.000
390	P	397	ARG	1	0.804	0.903	21.660	0.124	0.124	0.000	0.000	0.000	0.000
391	P	398	LYS	1	0.870	0.930	22.468	0.135	0.135	0.000	0.000	0.000	0.000
392	P	399	LEU	0	-0.014	-0.014	18.041	-0.031	-0.031	0.000	0.000	0.000	0.000
393	P	400	ILE	0	0.013	0.019	17.813	-0.063	-0.063	0.000	0.000	0.000	0.000
394	P	401	VAL	0	0.002	0.007	17.892	-0.058	-0.058	0.000	0.000	0.000	0.000
395	P	402	ARG	1	0.904	0.953	17.613	0.303	0.303	0.000	0.000	0.000	0.000
396	P	403	HIS	0	-0.005	0.012	10.567	0.061	0.061	0.000	0.000	0.000	0.000
397	P	404	LEU	0	0.031	0.005	13.686	-0.121	-0.121	0.000	0.000	0.000	0.000
398	P	405	TRP	0	-0.020	-0.006	15.676	-0.069	-0.069	0.000	0.000	0.000	0.000
399	P	406	VAL	0	0.011	0.008	10.704	-0.039	-0.039	0.000	0.000	0.000	0.000
400	P	407	ILE	0	0.010	0.013	9.419	-0.105	-0.105	0.000	0.000	0.000	0.000
401	P	408	THR	0	0.002	-0.010	12.135	0.005	0.005	0.000	0.000	0.000	0.000
402	P	409	SER	0	-0.023	-0.015	13.948	0.012	0.012	0.000	0.000	0.000	0.000
403	P	410	LEU	0	-0.004	-0.004	8.205	-0.003	-0.003	0.000	0.000	0.000	0.000
404	P	411	ILE	0	0.007	-0.002	12.028	0.011	0.011	0.000	0.000	0.000	0.000
405	P	412	ALA	0	-0.026	-0.008	14.099	0.052	0.052	0.000	0.000	0.000	0.000
406	P	413	VAL	0	-0.028	0.000	13.200	0.058	0.058	0.000	0.000	0.000	0.000
407	P	414	PHE	0	0.035	0.000	8.050	0.008	0.008	0.000	0.000	0.000	0.000
408	P	415	GLY	0	0.039	0.034	13.172	0.047	0.047	0.000	0.000	0.000	0.000
409	P	416	ARG	1	0.815	0.897	15.986	0.611	0.611	0.000	0.000	0.000	0.000
410	P	417	TYR	0	0.037	0.023	16.916	0.043	0.043	0.000	0.000	0.000	0.000
411	P	418	TYR	0	0.012	0.011	17.993	0.034	0.034	0.000	0.000	0.000	0.000
412	P	419	ARG	1	0.932	0.955	19.724	0.250	0.250	0.000	0.000	0.000	0.000
413	P	420	PRO	0	0.021	0.026	21.095	0.008	0.008	0.000	0.000	0.000	0.000
414	P	421	ASN	0	0.033	0.043	22.737	0.006	0.006	0.000	0.000	0.000	0.000

Top

Graph

Manual

About

Interactive mode: IFIE and PIEDA for fragment #1(P:1:MET)