FMO DATABASE

FMODB ID: R5VV8

Calculation Name: 1UX5-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 1UX5

Chain ID: A

ChEMBL ID:

UniProt ID: P41832

Base Structure: X-ray

Registration Date: 2023-06-19

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	OptHSide
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	411
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-6086102.958918
FMO2-HF: Nuclear repulsion	5921185.310808
FMO2-HF: Total energy	-164917.64811
FMO2-MP2: Total energy	-165403.141827

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:1350:LYS)

Summations of interaction energy for fragment #1(A:1350:LYS)

IFIE [kcal/mol]	PIEDA [kcal/mol]				Charge transfer value [e]
IFIE SUMIFIE SUM at MP2 level.	ESElectro static interaction energy.	EXExchange-repulsion energy.	CT+mixCharge transfer and mixing terms energy.	DI(MP2)Dispersion energy.	q(I=>J)Charge transfer value from I to J fragments.
-27.225	-25.794	-0.016	-0.604	-0.812	0.002

Interaction energy analysis for fragmet #1(A:1350:LYS)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 1 / q_Mulliken : 0.938 / q_NPA : 0.952

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	1352	PRO	0	0.004	0.041	3.828	2.990	4.332	-0.015	-0.594	-0.734	0.002
4	A	1353	ARG	1	0.905	0.944	4.538	27.684	27.773	-0.001	-0.010	-0.078	0.000
5	A	1354	PRO	0	0.019	0.031	8.208	0.488	0.488	0.000	0.000	0.000	0.000
6	A	1355	HIS	0	0.030	0.011	11.698	-0.781	-0.781	0.000	0.000	0.000	0.000
7	A	1356	LYS	1	0.906	0.946	13.841	12.410	12.410	0.000	0.000	0.000	0.000
8	A	1357	LYS	1	0.885	0.937	12.375	15.998	15.998	0.000	0.000	0.000	0.000
9	A	1358	LEU	0	0.055	0.035	14.496	0.601	0.601	0.000	0.000	0.000	0.000
10	A	1359	LYS	1	0.867	0.931	17.219	11.024	11.024	0.000	0.000	0.000	0.000
11	A	1360	GLN	0	-0.044	-0.028	14.717	-0.964	-0.964	0.000	0.000	0.000	0.000
12	A	1361	LEU	0	0.024	0.020	17.289	0.690	0.690	0.000	0.000	0.000	0.000
13	A	1362	HIS	0	-0.027	-0.020	17.981	-0.800	-0.800	0.000	0.000	0.000	0.000
14	A	1363	TRP	0	-0.014	0.005	13.340	0.447	0.447	0.000	0.000	0.000	0.000
15	A	1364	GLU	-1	-0.897	-0.947	19.721	-12.053	-12.053	0.000	0.000	0.000	0.000
16	A	1365	LYS	1	0.834	0.911	14.865	17.420	17.420	0.000	0.000	0.000	0.000
17	A	1366	LEU	0	0.032	0.017	17.711	0.406	0.406	0.000	0.000	0.000	0.000
18	A	1367	ASP	-1	-0.886	-0.956	16.538	-16.838	-16.838	0.000	0.000	0.000	0.000
19	A	1368	CYS	0	-0.066	-0.033	15.298	-1.946	-1.946	0.000	0.000	0.000	0.000
20	A	1369	THR	0	-0.042	0.003	13.506	0.589	0.589	0.000	0.000	0.000	0.000
21	A	1370	ASP	-1	-0.798	-0.900	15.910	-17.210	-17.210	0.000	0.000	0.000	0.000
22	A	1371	ASN	0	-0.050	-0.013	19.132	-0.361	-0.361	0.000	0.000	0.000	0.000
23	A	1372	SER	0	-0.022	-0.030	19.168	0.674	0.674	0.000	0.000	0.000	0.000
24	A	1373	ILE	0	0.018	0.004	19.433	-0.346	-0.346	0.000	0.000	0.000	0.000
25	A	1374	TRP	0	-0.044	-0.015	15.323	-0.790	-0.790	0.000	0.000	0.000	0.000
26	A	1375	GLY	0	0.074	0.031	12.643	-0.017	-0.017	0.000	0.000	0.000	0.000
27	A	1376	THR	0	-0.008	-0.011	13.702	-0.166	-0.166	0.000	0.000	0.000	0.000
28	A	1377	GLY	0	0.021	0.011	10.034	0.068	0.068	0.000	0.000	0.000	0.000
29	A	1378	LYS	1	0.929	0.950	10.126	15.248	15.248	0.000	0.000	0.000	0.000
30	A	1379	ALA	0	0.036	0.023	10.767	0.144	0.144	0.000	0.000	0.000	0.000
31	A	1380	GLU	-1	-0.886	-0.946	5.521	-38.768	-38.768	0.000	0.000	0.000	0.000
32	A	1381	LYS	1	0.989	1.002	8.115	22.768	22.768	0.000	0.000	0.000	0.000
33	A	1382	PHE	0	-0.016	0.001	10.503	0.921	0.921	0.000	0.000	0.000	0.000
34	A	1383	ALA	0	-0.012	0.005	8.133	0.953	0.953	0.000	0.000	0.000	0.000
35	A	1384	ASP	-1	-0.871	-0.953	6.484	-30.473	-30.473	0.000	0.000	0.000	0.000
36	A	1385	ASP	-1	-0.820	-0.897	9.260	-14.781	-14.781	0.000	0.000	0.000	0.000
37	A	1386	LEU	0	-0.010	-0.030	13.034	1.033	1.033	0.000	0.000	0.000	0.000
38	A	1387	TYR	0	-0.053	-0.037	10.156	0.825	0.825	0.000	0.000	0.000	0.000
39	A	1388	GLU	-1	-0.942	-0.961	11.732	-17.930	-17.930	0.000	0.000	0.000	0.000
40	A	1389	LYS	1	0.781	0.879	13.769	15.864	15.864	0.000	0.000	0.000	0.000
41	A	1390	GLY	0	0.011	0.016	15.578	0.769	0.769	0.000	0.000	0.000	0.000
42	A	1391	VAL	0	0.045	0.019	16.530	0.256	0.256	0.000	0.000	0.000	0.000
43	A	1392	LEU	0	-0.024	-0.012	10.743	0.279	0.279	0.000	0.000	0.000	0.000
44	A	1393	ALA	0	0.031	0.016	14.836	0.189	0.189	0.000	0.000	0.000	0.000
45	A	1394	ASP	-1	-0.840	-0.910	16.732	-11.561	-11.561	0.000	0.000	0.000	0.000
46	A	1395	LEU	0	0.001	0.004	15.746	0.446	0.446	0.000	0.000	0.000	0.000
47	A	1396	GLU	-1	-0.846	-0.926	14.716	-14.925	-14.925	0.000	0.000	0.000	0.000
48	A	1397	LYS	1	0.783	0.876	17.440	12.310	12.310	0.000	0.000	0.000	0.000
49	A	1398	ALA	0	-0.016	-0.005	21.079	0.361	0.361	0.000	0.000	0.000	0.000
50	A	1399	PHE	0	-0.006	-0.010	19.064	0.384	0.384	0.000	0.000	0.000	0.000
51	A	1400	ALA	0	0.039	0.034	19.394	-0.345	-0.345	0.000	0.000	0.000	0.000
52	A	1401	ALA	0	-0.040	-0.017	19.890	0.462	0.462	0.000	0.000	0.000	0.000
53	A	1402	ARG	1	0.886	0.943	21.566	11.014	11.014	0.000	0.000	0.000	0.000
54	A	1403	GLU	-1	-0.762	-0.862	23.958	-8.823	-8.823	0.000	0.000	0.000	0.000
55	A	1404	ILE	0	0.030	0.006	24.786	-0.018	-0.018	0.000	0.000	0.000	0.000
56	A	1405	LYS	1	1.006	0.982	25.836	10.031	10.031	0.000	0.000	0.000	0.000
57	A	1406	SER	0	0.013	0.020	29.069	0.252	0.252	0.000	0.000	0.000	0.000
58	A	1407	LEU	0	0.075	0.021	29.187	0.207	0.207	0.000	0.000	0.000	0.000
59	A	1408	ALA	0	-0.026	-0.010	30.217	0.200	0.200	0.000	0.000	0.000	0.000
60	A	1409	SER	0	-0.016	-0.009	32.234	0.219	0.219	0.000	0.000	0.000	0.000
61	A	1410	LYS	1	1.034	1.030	35.201	7.657	7.657	0.000	0.000	0.000	0.000
62	A	1411	ARG	1	0.915	0.942	32.922	8.185	8.185	0.000	0.000	0.000	0.000
63	A	1412	LYS	1	0.825	0.906	31.875	8.441	8.441	0.000	0.000	0.000	0.000
64	A	1413	GLU	-1	-0.867	-0.926	38.136	-6.670	-6.670	0.000	0.000	0.000	0.000
65	A	1414	ASP	-1	-0.866	-0.935	40.445	-6.439	-6.439	0.000	0.000	0.000	0.000
66	A	1415	LEU	0	-0.057	-0.026	39.088	-0.028	-0.028	0.000	0.000	0.000	0.000
67	A	1416	GLN	0	-0.083	-0.047	42.252	0.066	0.066	0.000	0.000	0.000	0.000
68	A	1417	LYS	1	0.799	0.913	43.844	6.588	6.588	0.000	0.000	0.000	0.000
69	A	1418	ILE	0	0.007	0.024	47.384	-0.004	-0.004	0.000	0.000	0.000	0.000
70	A	1419	THR	0	-0.015	-0.036	49.005	-0.075	-0.075	0.000	0.000	0.000	0.000
71	A	1420	PHE	0	-0.076	-0.041	51.208	0.068	0.068	0.000	0.000	0.000	0.000
72	A	1421	LEU	0	-0.012	0.014	49.933	0.068	0.068	0.000	0.000	0.000	0.000
73	A	1422	SER	0	-0.007	-0.009	51.397	-0.044	-0.044	0.000	0.000	0.000	0.000
74	A	1423	ARG	1	0.952	0.967	47.633	5.897	5.897	0.000	0.000	0.000	0.000
75	A	1424	ASP	-1	-0.854	-0.938	47.205	-5.914	-5.914	0.000	0.000	0.000	0.000
76	A	1425	ILE	0	0.031	0.013	47.997	-0.132	-0.132	0.000	0.000	0.000	0.000
77	A	1426	SER	0	0.040	0.022	47.072	-0.114	-0.114	0.000	0.000	0.000	0.000
78	A	1427	GLN	0	-0.026	-0.006	42.753	-0.095	-0.095	0.000	0.000	0.000	0.000
79	A	1428	GLN	0	-0.032	-0.029	43.895	-0.177	-0.177	0.000	0.000	0.000	0.000
80	A	1429	PHE	0	0.048	0.021	45.779	-0.028	-0.028	0.000	0.000	0.000	0.000
81	A	1430	GLY	0	-0.026	-0.010	41.791	-0.053	-0.053	0.000	0.000	0.000	0.000
82	A	1431	ILE	0	-0.016	-0.009	40.717	-0.148	-0.148	0.000	0.000	0.000	0.000
83	A	1432	ASN	0	0.004	0.002	41.465	-0.174	-0.174	0.000	0.000	0.000	0.000
84	A	1433	LEU	0	0.053	0.032	43.222	0.040	0.040	0.000	0.000	0.000	0.000
85	A	1434	HIS	0	-0.009	0.006	37.107	-0.190	-0.190	0.000	0.000	0.000	0.000
86	A	1435	MET	0	-0.009	0.030	38.074	-0.163	-0.163	0.000	0.000	0.000	0.000
87	A	1436	TYR	0	0.009	-0.022	39.132	-0.007	-0.007	0.000	0.000	0.000	0.000
88	A	1437	SER	0	-0.058	-0.052	36.252	0.086	0.086	0.000	0.000	0.000	0.000
89	A	1438	SER	0	-0.086	-0.041	35.115	0.040	0.040	0.000	0.000	0.000	0.000
90	A	1439	LEU	0	0.012	0.025	36.998	-0.016	-0.016	0.000	0.000	0.000	0.000
91	A	1440	SER	0	-0.030	-0.010	40.543	0.061	0.061	0.000	0.000	0.000	0.000
92	A	1441	VAL	0	0.081	0.021	42.804	0.019	0.019	0.000	0.000	0.000	0.000
93	A	1442	ALA	0	0.049	0.034	45.904	0.093	0.093	0.000	0.000	0.000	0.000
94	A	1443	ASP	-1	-0.835	-0.912	43.826	-6.394	-6.394	0.000	0.000	0.000	0.000
95	A	1444	LEU	0	-0.023	-0.012	43.861	0.018	0.018	0.000	0.000	0.000	0.000
96	A	1445	VAL	0	0.048	0.021	45.780	0.053	0.053	0.000	0.000	0.000	0.000
97	A	1446	LYS	1	0.897	0.940	46.456	6.270	6.270	0.000	0.000	0.000	0.000
98	A	1447	LYS	1	0.700	0.833	43.362	6.566	6.566	0.000	0.000	0.000	0.000
99	A	1448	ILE	0	0.000	0.001	48.238	0.058	0.058	0.000	0.000	0.000	0.000
100	A	1449	LEU	0	0.008	0.003	50.696	0.093	0.093	0.000	0.000	0.000	0.000
101	A	1450	ASN	0	0.038	0.020	50.165	0.201	0.201	0.000	0.000	0.000	0.000
102	A	1451	CYS	0	-0.084	-0.031	52.232	0.060	0.060	0.000	0.000	0.000	0.000
103	A	1452	ASP	-1	-0.766	-0.876	47.046	-6.174	-6.174	0.000	0.000	0.000	0.000
104	A	1453	ARG	1	0.957	0.970	47.929	5.887	5.887	0.000	0.000	0.000	0.000
105	A	1454	ASP	-1	-0.801	-0.890	43.695	-6.562	-6.562	0.000	0.000	0.000	0.000
106	A	1455	PHE	0	0.028	0.023	45.795	-0.034	-0.034	0.000	0.000	0.000	0.000
107	A	1456	LEU	0	0.017	0.011	47.557	0.029	0.029	0.000	0.000	0.000	0.000
108	A	1457	GLN	0	-0.058	-0.025	46.192	0.120	0.120	0.000	0.000	0.000	0.000
109	A	1458	THR	0	-0.026	-0.008	44.349	-0.164	-0.164	0.000	0.000	0.000	0.000
110	A	1459	PRO	0	0.064	0.006	46.757	0.037	0.037	0.000	0.000	0.000	0.000
111	A	1460	SER	0	0.010	0.009	44.657	0.088	0.088	0.000	0.000	0.000	0.000
112	A	1461	VAL	0	-0.005	-0.002	45.531	0.041	0.041	0.000	0.000	0.000	0.000
113	A	1462	VAL	0	0.015	0.013	48.318	0.086	0.086	0.000	0.000	0.000	0.000
114	A	1463	GLU	-1	-0.903	-0.924	51.173	-5.695	-5.695	0.000	0.000	0.000	0.000
115	A	1464	PHE	0	0.033	0.003	48.869	0.069	0.069	0.000	0.000	0.000	0.000
116	A	1465	LEU	0	-0.034	-0.024	50.028	0.067	0.067	0.000	0.000	0.000	0.000
117	A	1466	SER	0	-0.004	-0.043	52.886	0.129	0.129	0.000	0.000	0.000	0.000
118	A	1467	LYS	1	0.867	0.955	49.582	5.962	5.962	0.000	0.000	0.000	0.000
119	A	1468	SER	0	0.014	0.007	55.714	0.006	0.006	0.000	0.000	0.000	0.000
120	A	1469	GLU	-1	-0.887	-0.950	53.405	-5.502	-5.502	0.000	0.000	0.000	0.000
121	A	1470	ILE	0	-0.071	-0.022	51.640	-0.031	-0.031	0.000	0.000	0.000	0.000
122	A	1471	ILE	0	-0.036	-0.019	55.370	0.021	0.021	0.000	0.000	0.000	0.000
123	A	1472	GLU	-1	-0.957	-0.980	58.181	-4.781	-4.781	0.000	0.000	0.000	0.000
124	A	1473	VAL	0	0.014	0.024	58.949	-0.067	-0.067	0.000	0.000	0.000	0.000
125	A	1474	SER	0	-0.014	-0.005	60.788	0.102	0.102	0.000	0.000	0.000	0.000
126	A	1475	VAL	0	0.081	0.014	62.924	-0.012	-0.012	0.000	0.000	0.000	0.000
127	A	1476	ASN	0	-0.034	-0.031	62.675	0.050	0.050	0.000	0.000	0.000	0.000
128	A	1477	LEU	0	0.024	0.033	57.122	0.004	0.004	0.000	0.000	0.000	0.000
129	A	1478	ALA	0	0.083	0.050	60.152	-0.048	-0.048	0.000	0.000	0.000	0.000
130	A	1479	ARG	1	0.923	0.960	62.251	4.470	4.470	0.000	0.000	0.000	0.000
131	A	1480	ASN	0	-0.049	-0.034	58.295	0.054	0.054	0.000	0.000	0.000	0.000
132	A	1481	TYR	0	-0.028	-0.062	53.404	-0.034	-0.034	0.000	0.000	0.000	0.000
133	A	1482	ALA	0	0.015	0.018	58.834	-0.016	-0.016	0.000	0.000	0.000	0.000
134	A	1483	PRO	0	-0.084	-0.047	59.648	0.013	0.013	0.000	0.000	0.000	0.000
135	A	1484	TYR	0	0.014	0.004	56.098	0.010	0.010	0.000	0.000	0.000	0.000
136	A	1485	SER	0	-0.022	0.009	57.922	-0.084	-0.084	0.000	0.000	0.000	0.000
137	A	1486	THR	0	-0.038	-0.007	58.878	0.003	0.003	0.000	0.000	0.000	0.000
138	A	1487	ASP	-1	-0.884	-0.951	61.021	-4.534	-4.534	0.000	0.000	0.000	0.000
139	A	1488	TRP	0	-0.033	-0.046	56.996	-0.037	-0.037	0.000	0.000	0.000	0.000
140	A	1489	GLU	-1	-0.778	-0.871	63.325	-4.449	-4.449	0.000	0.000	0.000	0.000
141	A	1490	GLY	0	-0.027	-0.002	66.822	0.051	0.051	0.000	0.000	0.000	0.000
142	A	1491	VAL	0	-0.078	-0.037	61.996	0.000	0.000	0.000	0.000	0.000	0.000
143	A	1492	ARG	1	0.968	0.982	64.260	4.318	4.318	0.000	0.000	0.000	0.000
144	A	1493	ASN	0	-0.010	-0.037	60.023	-0.072	-0.072	0.000	0.000	0.000	0.000
145	A	1494	LEU	0	0.022	0.010	54.464	0.019	0.019	0.000	0.000	0.000	0.000
146	A	1495	GLU	-1	-0.986	-0.990	56.904	-5.218	-5.218	0.000	0.000	0.000	0.000
147	A	1496	ASP	-1	-0.895	-0.950	58.581	-4.591	-4.591	0.000	0.000	0.000	0.000
148	A	1497	ALA	0	-0.018	0.017	60.249	0.067	0.067	0.000	0.000	0.000	0.000
149	A	1498	LYS	1	0.833	0.891	60.287	4.783	4.783	0.000	0.000	0.000	0.000
150	A	1499	PRO	0	0.002	0.030	61.308	-0.014	-0.014	0.000	0.000	0.000	0.000
151	A	1500	PRO	0	-0.027	0.003	58.221	-0.047	-0.047	0.000	0.000	0.000	0.000
152	A	1501	GLU	-1	-0.889	-0.959	59.497	-4.688	-4.688	0.000	0.000	0.000	0.000
153	A	1502	LYS	1	0.862	0.929	57.027	5.144	5.144	0.000	0.000	0.000	0.000
154	A	1503	ASP	-1	-0.835	-0.933	51.929	-5.663	-5.663	0.000	0.000	0.000	0.000
155	A	1504	PRO	0	0.026	0.017	51.988	-0.005	-0.005	0.000	0.000	0.000	0.000
156	A	1505	ASN	0	0.006	0.010	47.286	-0.028	-0.028	0.000	0.000	0.000	0.000
157	A	1506	ASP	-1	-0.885	-0.939	48.099	-5.784	-5.784	0.000	0.000	0.000	0.000
158	A	1507	LEU	0	-0.097	-0.067	49.751	-0.019	-0.019	0.000	0.000	0.000	0.000
159	A	1508	GLN	0	-0.038	-0.002	45.689	-0.188	-0.188	0.000	0.000	0.000	0.000
160	A	1509	ARG	1	0.896	0.929	41.230	6.959	6.959	0.000	0.000	0.000	0.000
161	A	1510	ALA	0	-0.004	-0.005	45.593	0.064	0.064	0.000	0.000	0.000	0.000
162	A	1511	ASP	-1	-0.686	-0.816	47.139	-5.672	-5.672	0.000	0.000	0.000	0.000
163	A	1512	GLN	0	-0.040	-0.030	46.602	0.101	0.101	0.000	0.000	0.000	0.000
164	A	1513	ILE	0	-0.038	-0.015	46.130	0.050	0.050	0.000	0.000	0.000	0.000
165	A	1514	TYR	0	0.004	-0.005	50.169	0.095	0.095	0.000	0.000	0.000	0.000
166	A	1515	LEU	0	0.002	-0.001	52.844	0.085	0.085	0.000	0.000	0.000	0.000
167	A	1516	GLN	0	0.017	-0.007	51.837	0.096	0.096	0.000	0.000	0.000	0.000
168	A	1517	LEU	0	-0.033	-0.016	51.508	0.038	0.038	0.000	0.000	0.000	0.000
169	A	1518	MET	0	-0.010	-0.001	52.452	0.071	0.071	0.000	0.000	0.000	0.000
170	A	1519	VAL	0	0.000	0.020	57.094	0.082	0.082	0.000	0.000	0.000	0.000
171	A	1520	ASN	0	0.005	-0.001	57.918	0.052	0.052	0.000	0.000	0.000	0.000
172	A	1521	LEU	0	0.034	0.026	57.182	0.041	0.041	0.000	0.000	0.000	0.000
173	A	1522	GLU	-1	-0.898	-0.937	60.739	-4.684	-4.684	0.000	0.000	0.000	0.000
174	A	1523	SER	0	-0.059	-0.038	62.332	0.033	0.033	0.000	0.000	0.000	0.000
175	A	1524	TYR	0	-0.092	-0.080	60.023	0.069	0.069	0.000	0.000	0.000	0.000
176	A	1525	TRP	0	0.096	0.042	54.187	-0.036	-0.036	0.000	0.000	0.000	0.000
177	A	1526	GLY	0	0.075	0.030	60.268	-0.033	-0.033	0.000	0.000	0.000	0.000
178	A	1527	SER	0	-0.057	-0.037	61.427	-0.005	-0.005	0.000	0.000	0.000	0.000
179	A	1528	ARG	1	0.809	0.911	54.383	5.319	5.319	0.000	0.000	0.000	0.000
180	A	1529	MET	0	-0.010	0.002	54.938	-0.085	-0.085	0.000	0.000	0.000	0.000
181	A	1530	ARG	1	0.970	0.980	58.556	4.659	4.659	0.000	0.000	0.000	0.000
182	A	1531	ALA	0	0.016	0.018	61.194	-0.001	-0.001	0.000	0.000	0.000	0.000
183	A	1532	LEU	0	0.016	-0.005	54.844	-0.027	-0.027	0.000	0.000	0.000	0.000
184	A	1533	THR	0	-0.034	-0.024	55.951	-0.030	-0.030	0.000	0.000	0.000	0.000
185	A	1534	VAL	0	0.044	0.040	57.432	-0.034	-0.034	0.000	0.000	0.000	0.000
186	A	1535	VAL	0	0.004	-0.006	57.234	-0.029	-0.029	0.000	0.000	0.000	0.000
187	A	1536	THR	0	-0.073	-0.046	53.491	-0.031	-0.031	0.000	0.000	0.000	0.000
188	A	1537	SER	0	-0.072	-0.035	54.762	-0.139	-0.139	0.000	0.000	0.000	0.000
189	A	1538	TYR	0	-0.012	-0.006	57.126	0.010	0.010	0.000	0.000	0.000	0.000
190	A	1539	GLU	-1	-0.826	-0.898	56.923	-5.034	-5.034	0.000	0.000	0.000	0.000
191	A	1540	ARG	1	0.799	0.856	53.540	5.435	5.435	0.000	0.000	0.000	0.000
192	A	1541	GLU	-1	-0.791	-0.889	57.198	-5.166	-5.166	0.000	0.000	0.000	0.000
193	A	1542	TYR	0	-0.006	0.001	59.633	0.030	0.030	0.000	0.000	0.000	0.000
194	A	1543	ASN	0	-0.030	-0.013	57.753	-0.029	-0.029	0.000	0.000	0.000	0.000
195	A	1544	GLU	-1	-0.817	-0.891	55.836	-5.356	-5.356	0.000	0.000	0.000	0.000
196	A	1545	LEU	0	-0.026	-0.013	59.827	0.042	0.042	0.000	0.000	0.000	0.000
197	A	1546	LEU	0	0.037	0.016	63.471	0.056	0.056	0.000	0.000	0.000	0.000
198	A	1547	ALA	0	-0.019	-0.011	60.509	0.035	0.035	0.000	0.000	0.000	0.000
199	A	1548	LYS	1	0.856	0.930	61.213	4.953	4.953	0.000	0.000	0.000	0.000
200	A	1549	LEU	0	0.016	-0.003	64.076	0.028	0.028	0.000	0.000	0.000	0.000
201	A	1550	ARG	1	0.804	0.889	65.058	4.528	4.528	0.000	0.000	0.000	0.000
202	A	1551	LYS	1	0.784	0.885	60.589	5.060	5.060	0.000	0.000	0.000	0.000
203	A	1552	VAL	0	0.005	-0.014	66.367	0.045	0.045	0.000	0.000	0.000	0.000
204	A	1553	ASP	-1	-0.744	-0.841	69.620	-4.328	-4.328	0.000	0.000	0.000	0.000
205	A	1554	LYS	1	0.910	0.964	65.060	4.733	4.733	0.000	0.000	0.000	0.000
206	A	1555	ALA	0	-0.017	0.001	69.884	0.041	0.041	0.000	0.000	0.000	0.000
207	A	1556	VAL	0	0.011	-0.006	71.505	0.052	0.052	0.000	0.000	0.000	0.000
208	A	1557	SER	0	-0.005	-0.005	73.635	0.067	0.067	0.000	0.000	0.000	0.000
209	A	1558	ALA	0	0.047	0.019	72.598	0.048	0.048	0.000	0.000	0.000	0.000
210	A	1559	LEU	0	-0.018	-0.022	74.727	0.041	0.041	0.000	0.000	0.000	0.000
211	A	1560	GLN	0	0.003	-0.003	77.017	0.082	0.082	0.000	0.000	0.000	0.000
212	A	1561	GLU	-1	-0.994	-0.985	76.332	-4.018	-4.018	0.000	0.000	0.000	0.000
213	A	1562	SER	0	-0.004	-0.013	77.340	0.001	0.001	0.000	0.000	0.000	0.000
214	A	1563	ASP	-1	-0.824	-0.912	79.375	-3.743	-3.743	0.000	0.000	0.000	0.000
215	A	1564	ASN	0	-0.030	-0.021	78.525	0.087	0.087	0.000	0.000	0.000	0.000
216	A	1565	LEU	0	-0.002	0.016	77.429	0.017	0.017	0.000	0.000	0.000	0.000
217	A	1566	ARG	1	0.816	0.884	80.166	3.840	3.840	0.000	0.000	0.000	0.000
218	A	1567	ASN	0	-0.002	-0.003	83.657	0.082	0.082	0.000	0.000	0.000	0.000
219	A	1568	VAL	0	-0.010	-0.004	79.804	0.038	0.038	0.000	0.000	0.000	0.000
220	A	1569	PHE	0	-0.020	-0.024	79.959	0.021	0.021	0.000	0.000	0.000	0.000
221	A	1570	ASN	0	0.042	0.026	84.693	0.049	0.049	0.000	0.000	0.000	0.000
222	A	1571	VAL	0	-0.019	0.011	85.415	0.045	0.045	0.000	0.000	0.000	0.000
223	A	1572	ILE	0	-0.042	-0.033	81.815	0.024	0.024	0.000	0.000	0.000	0.000
224	A	1573	LEU	0	-0.031	-0.005	86.462	0.022	0.022	0.000	0.000	0.000	0.000
225	A	1574	ALA	0	-0.019	0.001	89.635	0.040	0.040	0.000	0.000	0.000	0.000
226	A	1575	VAL	0	0.014	-0.006	87.917	0.034	0.034	0.000	0.000	0.000	0.000
227	A	1576	GLY	0	0.019	0.007	89.676	0.023	0.023	0.000	0.000	0.000	0.000
228	A	1577	ASN	0	-0.010	-0.019	90.618	0.025	0.025	0.000	0.000	0.000	0.000
229	A	1578	PHE	0	-0.053	-0.001	93.459	0.041	0.041	0.000	0.000	0.000	0.000
230	A	1579	MET	0	-0.047	-0.018	88.477	0.008	0.008	0.000	0.000	0.000	0.000
231	A	1580	ASN	0	-0.015	0.002	91.781	0.008	0.008	0.000	0.000	0.000	0.000
232	A	1581	ASP	-1	-0.724	-0.806	95.119	-3.241	-3.241	0.000	0.000	0.000	0.000
233	A	1582	THR	0	0.039	-0.022	98.143	-0.021	-0.021	0.000	0.000	0.000	0.000
234	A	1583	SER	0	-0.112	-0.073	98.625	-0.012	-0.012	0.000	0.000	0.000	0.000
235	A	1584	LYS	1	0.816	0.881	93.408	3.311	3.311	0.000	0.000	0.000	0.000
236	A	1585	GLN	0	-0.083	-0.021	94.736	-0.033	-0.033	0.000	0.000	0.000	0.000
237	A	1586	ALA	0	-0.016	-0.016	92.810	0.007	0.007	0.000	0.000	0.000	0.000
238	A	1587	GLN	0	0.001	-0.005	94.621	-0.008	-0.008	0.000	0.000	0.000	0.000
239	A	1588	GLY	0	0.051	0.029	90.664	-0.016	-0.016	0.000	0.000	0.000	0.000
240	A	1589	PHE	0	-0.038	-0.014	84.078	0.021	0.021	0.000	0.000	0.000	0.000
241	A	1590	LYS	1	0.928	0.963	84.772	3.664	3.664	0.000	0.000	0.000	0.000
242	A	1591	LEU	0	0.112	0.057	78.993	-0.007	-0.007	0.000	0.000	0.000	0.000
243	A	1592	SER	0	-0.009	0.003	80.822	-0.027	-0.027	0.000	0.000	0.000	0.000
244	A	1593	THR	0	-0.035	-0.041	81.567	-0.014	-0.014	0.000	0.000	0.000	0.000
245	A	1594	LEU	0	0.029	0.025	78.476	-0.004	-0.004	0.000	0.000	0.000	0.000
246	A	1595	GLN	0	-0.010	0.003	77.065	0.021	0.021	0.000	0.000	0.000	0.000
247	A	1596	ARG	1	0.841	0.912	78.521	3.787	3.787	0.000	0.000	0.000	0.000
248	A	1597	LEU	0	0.009	0.026	80.386	0.045	0.045	0.000	0.000	0.000	0.000
249	A	1598	THR	0	0.015	-0.002	76.091	0.015	0.015	0.000	0.000	0.000	0.000
250	A	1599	PHE	0	-0.042	-0.035	77.703	-0.007	-0.007	0.000	0.000	0.000	0.000
251	A	1600	ILE	0	0.041	0.036	81.594	0.030	0.030	0.000	0.000	0.000	0.000
252	A	1601	LYS	1	0.898	0.956	80.022	3.879	3.879	0.000	0.000	0.000	0.000
253	A	1602	ASP	-1	-0.746	-0.872	83.519	-3.742	-3.742	0.000	0.000	0.000	0.000
254	A	1603	THR	0	-0.003	0.006	85.437	-0.003	-0.003	0.000	0.000	0.000	0.000
255	A	1604	THR	0	-0.075	-0.043	83.555	-0.024	-0.024	0.000	0.000	0.000	0.000
256	A	1605	ASN	0	-0.090	-0.063	80.875	-0.006	-0.006	0.000	0.000	0.000	0.000
257	A	1606	SER	0	-0.021	0.013	78.929	-0.056	-0.056	0.000	0.000	0.000	0.000
258	A	1607	MET	0	-0.022	0.008	78.077	-0.031	-0.031	0.000	0.000	0.000	0.000
259	A	1608	THR	0	0.018	-0.001	77.875	0.054	0.054	0.000	0.000	0.000	0.000
260	A	1609	PHE	0	0.026	-0.006	80.809	0.002	0.002	0.000	0.000	0.000	0.000
261	A	1610	LEU	0	0.025	0.002	76.479	0.015	0.015	0.000	0.000	0.000	0.000
262	A	1611	ASN	0	0.013	0.017	76.025	0.005	0.005	0.000	0.000	0.000	0.000
263	A	1612	TYR	0	0.036	0.027	79.435	0.003	0.003	0.000	0.000	0.000	0.000
264	A	1613	VAL	0	0.003	0.022	81.638	0.014	0.014	0.000	0.000	0.000	0.000
265	A	1614	GLU	-1	-0.725	-0.824	76.292	-4.123	-4.123	0.000	0.000	0.000	0.000
266	A	1615	LYS	1	0.940	0.966	79.249	3.982	3.982	0.000	0.000	0.000	0.000
267	A	1616	ILE	0	-0.056	-0.026	81.312	0.019	0.019	0.000	0.000	0.000	0.000
268	A	1617	VAL	0	-0.010	-0.005	80.279	0.024	0.024	0.000	0.000	0.000	0.000
269	A	1618	ARG	1	0.733	0.810	76.258	4.125	4.125	0.000	0.000	0.000	0.000
270	A	1619	LEU	0	-0.044	-0.025	80.232	-0.006	-0.006	0.000	0.000	0.000	0.000
271	A	1620	ASN	0	-0.081	-0.038	83.077	0.075	0.075	0.000	0.000	0.000	0.000
272	A	1621	TYR	0	-0.060	-0.025	83.905	0.041	0.041	0.000	0.000	0.000	0.000
273	A	1622	PRO	0	0.052	0.025	79.817	-0.032	-0.032	0.000	0.000	0.000	0.000
274	A	1623	SER	0	0.047	0.024	79.055	-0.039	-0.039	0.000	0.000	0.000	0.000
275	A	1624	PHE	0	0.028	0.017	78.892	-0.029	-0.029	0.000	0.000	0.000	0.000
276	A	1625	ASN	0	-0.002	-0.017	75.410	-0.078	-0.078	0.000	0.000	0.000	0.000
277	A	1626	ASP	-1	-0.858	-0.922	74.591	-4.233	-4.233	0.000	0.000	0.000	0.000
278	A	1627	PHE	0	-0.039	-0.016	73.910	-0.069	-0.069	0.000	0.000	0.000	0.000
279	A	1628	LEU	0	-0.049	-0.024	71.339	-0.057	-0.057	0.000	0.000	0.000	0.000
280	A	1629	SER	0	-0.017	-0.019	69.543	-0.082	-0.082	0.000	0.000	0.000	0.000
281	A	1630	GLU	-1	-0.803	-0.880	70.003	-4.146	-4.146	0.000	0.000	0.000	0.000
282	A	1631	LEU	0	-0.015	-0.010	71.738	-0.012	-0.012	0.000	0.000	0.000	0.000
283	A	1632	GLU	-1	-0.901	-0.947	65.874	-4.809	-4.809	0.000	0.000	0.000	0.000
284	A	1633	PRO	0	-0.016	-0.016	67.004	-0.050	-0.050	0.000	0.000	0.000	0.000
285	A	1634	VAL	0	0.009	0.002	68.069	-0.009	-0.009	0.000	0.000	0.000	0.000
286	A	1635	LEU	0	-0.049	-0.027	65.952	-0.018	-0.018	0.000	0.000	0.000	0.000
287	A	1636	ASP	-1	-0.877	-0.925	62.148	-5.046	-5.046	0.000	0.000	0.000	0.000
288	A	1637	VAL	0	-0.018	0.005	63.963	-0.060	-0.060	0.000	0.000	0.000	0.000
289	A	1638	VAL	0	-0.010	-0.002	64.608	0.009	0.009	0.000	0.000	0.000	0.000
290	A	1639	LYS	1	0.868	0.940	59.392	5.111	5.111	0.000	0.000	0.000	0.000
291	A	1640	VAL	0	0.024	0.009	63.232	-0.072	-0.072	0.000	0.000	0.000	0.000
292	A	1641	SER	0	0.013	0.023	65.745	0.086	0.086	0.000	0.000	0.000	0.000
293	A	1642	ILE	0	0.057	0.025	68.466	-0.032	-0.032	0.000	0.000	0.000	0.000
294	A	1643	GLU	-1	-0.823	-0.891	70.751	-4.125	-4.125	0.000	0.000	0.000	0.000
295	A	1644	GLN	0	-0.073	-0.061	65.363	0.047	0.047	0.000	0.000	0.000	0.000
296	A	1645	LEU	0	0.001	0.008	65.826	-0.017	-0.017	0.000	0.000	0.000	0.000
297	A	1646	VAL	0	0.052	0.023	67.851	-0.007	-0.007	0.000	0.000	0.000	0.000
298	A	1647	ASN	0	0.024	0.014	69.688	0.070	0.070	0.000	0.000	0.000	0.000
299	A	1648	ASP	-1	-0.765	-0.874	64.607	-4.765	-4.765	0.000	0.000	0.000	0.000
300	A	1649	CYS	0	-0.092	-0.043	66.692	-0.012	-0.012	0.000	0.000	0.000	0.000
301	A	1650	LYS	1	0.948	0.990	68.617	4.165	4.165	0.000	0.000	0.000	0.000
302	A	1651	ASP	-1	-0.906	-0.954	66.402	-4.494	-4.494	0.000	0.000	0.000	0.000
303	A	1652	PHE	0	-0.041	-0.007	62.239	-0.029	-0.029	0.000	0.000	0.000	0.000
304	A	1653	SER	0	0.051	0.010	66.300	-0.039	-0.039	0.000	0.000	0.000	0.000
305	A	1654	GLN	0	-0.035	-0.020	69.347	0.046	0.046	0.000	0.000	0.000	0.000
306	A	1655	SER	0	-0.083	-0.046	64.671	-0.014	-0.014	0.000	0.000	0.000	0.000
307	A	1656	ILE	0	0.001	-0.008	65.060	-0.007	-0.007	0.000	0.000	0.000	0.000
308	A	1657	VAL	0	0.025	0.016	67.135	0.021	0.021	0.000	0.000	0.000	0.000
309	A	1658	ASN	0	-0.035	-0.020	68.133	0.073	0.073	0.000	0.000	0.000	0.000
310	A	1659	VAL	0	-0.034	-0.005	63.914	0.012	0.012	0.000	0.000	0.000	0.000
311	A	1660	GLU	-1	-0.724	-0.848	67.040	-4.325	-4.325	0.000	0.000	0.000	0.000
312	A	1661	ARG	1	0.979	1.001	69.711	4.104	4.104	0.000	0.000	0.000	0.000
313	A	1662	SER	0	-0.100	-0.063	67.371	-0.003	-0.003	0.000	0.000	0.000	0.000
314	A	1663	VAL	0	0.019	-0.004	66.123	-0.013	-0.013	0.000	0.000	0.000	0.000
315	A	1664	GLU	-1	-0.917	-0.946	68.821	-4.144	-4.144	0.000	0.000	0.000	0.000
316	A	1665	ILE	0	-0.084	-0.049	72.503	0.057	0.057	0.000	0.000	0.000	0.000
317	A	1666	GLY	0	-0.027	-0.001	70.977	0.024	0.024	0.000	0.000	0.000	0.000
318	A	1667	ASN	0	-0.039	-0.030	66.922	0.035	0.035	0.000	0.000	0.000	0.000
319	A	1668	LEU	0	-0.046	-0.028	63.421	-0.066	-0.066	0.000	0.000	0.000	0.000
320	A	1669	SER	0	-0.016	0.005	67.156	-0.002	-0.002	0.000	0.000	0.000	0.000
321	A	1670	ASP	-1	-0.833	-0.910	69.876	-4.306	-4.306	0.000	0.000	0.000	0.000
322	A	1671	SER	0	0.018	-0.014	65.703	-0.033	-0.033	0.000	0.000	0.000	0.000
323	A	1672	SER	0	-0.158	-0.073	65.612	-0.053	-0.053	0.000	0.000	0.000	0.000
324	A	1673	LYS	1	0.880	0.958	66.848	4.435	4.435	0.000	0.000	0.000	0.000
325	A	1674	PHE	0	-0.061	-0.021	61.919	-0.050	-0.050	0.000	0.000	0.000	0.000
326	A	1675	HIS	0	0.095	0.055	55.652	0.038	0.038	0.000	0.000	0.000	0.000
327	A	1676	PRO	0	0.003	0.000	58.652	-0.023	-0.023	0.000	0.000	0.000	0.000
328	A	1677	LEU	0	-0.032	-0.019	52.779	-0.032	-0.032	0.000	0.000	0.000	0.000
329	A	1678	ASP	-1	-0.791	-0.851	55.800	-5.234	-5.234	0.000	0.000	0.000	0.000
330	A	1679	LYS	1	0.829	0.923	54.490	5.449	5.449	0.000	0.000	0.000	0.000
331	A	1680	VAL	0	0.080	0.032	57.753	-0.027	-0.027	0.000	0.000	0.000	0.000
332	A	1681	LEU	0	-0.005	0.015	59.218	-0.023	-0.023	0.000	0.000	0.000	0.000
333	A	1682	ILE	0	-0.003	0.006	57.547	0.028	0.028	0.000	0.000	0.000	0.000
334	A	1683	LYS	1	0.896	0.957	54.807	5.313	5.313	0.000	0.000	0.000	0.000
335	A	1684	THR	0	0.002	-0.036	58.682	0.010	0.010	0.000	0.000	0.000	0.000
336	A	1685	LEU	0	0.011	0.013	61.419	0.020	0.020	0.000	0.000	0.000	0.000
337	A	1686	PRO	0	-0.046	-0.021	61.371	0.056	0.056	0.000	0.000	0.000	0.000
338	A	1687	VAL	0	0.021	0.013	59.320	-0.004	-0.004	0.000	0.000	0.000	0.000
339	A	1688	LEU	0	0.027	0.033	62.787	0.019	0.019	0.000	0.000	0.000	0.000
340	A	1689	PRO	0	0.050	0.027	65.678	0.030	0.030	0.000	0.000	0.000	0.000
341	A	1690	GLU	-1	-0.974	-0.988	62.097	-4.847	-4.847	0.000	0.000	0.000	0.000
342	A	1691	ALA	0	0.017	0.006	63.363	-0.004	-0.004	0.000	0.000	0.000	0.000
343	A	1692	ARG	1	0.834	0.882	64.972	4.285	4.285	0.000	0.000	0.000	0.000
344	A	1693	LYS	1	0.896	0.951	67.655	4.491	4.491	0.000	0.000	0.000	0.000
345	A	1694	LYS	1	0.817	0.911	61.591	4.937	4.937	0.000	0.000	0.000	0.000
346	A	1695	GLY	0	0.029	0.011	66.811	0.001	0.001	0.000	0.000	0.000	0.000
347	A	1696	ASP	-1	-0.846	-0.931	68.772	-4.226	-4.226	0.000	0.000	0.000	0.000
348	A	1697	LEU	0	-0.053	-0.026	67.941	0.020	0.020	0.000	0.000	0.000	0.000
349	A	1698	LEU	0	0.014	0.006	66.480	0.022	0.022	0.000	0.000	0.000	0.000
350	A	1699	GLU	-1	-0.884	-0.936	69.504	-4.093	-4.093	0.000	0.000	0.000	0.000
351	A	1700	ASP	-1	-0.866	-0.928	72.685	-4.018	-4.018	0.000	0.000	0.000	0.000
352	A	1701	GLU	-1	-0.847	-0.900	70.168	-4.281	-4.281	0.000	0.000	0.000	0.000
353	A	1702	VAL	0	-0.005	-0.016	70.310	0.024	0.024	0.000	0.000	0.000	0.000
354	A	1703	LYS	1	0.784	0.879	72.867	4.072	4.072	0.000	0.000	0.000	0.000
355	A	1704	LEU	0	-0.001	0.004	75.724	0.062	0.062	0.000	0.000	0.000	0.000
356	A	1705	THR	0	0.024	-0.012	72.167	0.034	0.034	0.000	0.000	0.000	0.000
357	A	1706	ILE	0	-0.081	-0.039	75.052	0.022	0.022	0.000	0.000	0.000	0.000
358	A	1707	MET	0	-0.022	-0.003	76.943	0.052	0.052	0.000	0.000	0.000	0.000
359	A	1708	GLU	-1	-0.914	-0.955	76.676	-4.010	-4.010	0.000	0.000	0.000	0.000
360	A	1709	PHE	0	-0.011	-0.024	74.684	0.018	0.018	0.000	0.000	0.000	0.000
361	A	1710	GLU	-1	-0.841	-0.911	77.778	-3.846	-3.846	0.000	0.000	0.000	0.000
362	A	1711	SER	0	-0.026	-0.001	80.646	0.055	0.055	0.000	0.000	0.000	0.000
363	A	1712	LEU	0	-0.026	-0.001	77.233	0.037	0.037	0.000	0.000	0.000	0.000
364	A	1713	MET	0	-0.045	-0.021	79.276	0.006	0.006	0.000	0.000	0.000	0.000
365	A	1714	HIS	0	-0.031	-0.023	81.652	0.052	0.052	0.000	0.000	0.000	0.000
366	A	1715	THR	0	-0.039	-0.007	83.505	0.051	0.051	0.000	0.000	0.000	0.000
367	A	1716	TYR	0	-0.050	-0.029	80.715	0.030	0.030	0.000	0.000	0.000	0.000
368	A	1717	GLY	0	-0.018	0.001	84.232	-0.002	-0.002	0.000	0.000	0.000	0.000
369	A	1718	GLU	-1	-0.932	-0.973	80.889	-3.839	-3.839	0.000	0.000	0.000	0.000
370	A	1719	ASP	-1	-0.827	-0.919	83.780	-3.673	-3.673	0.000	0.000	0.000	0.000
371	A	1720	SER	0	-0.014	-0.025	81.350	-0.030	-0.030	0.000	0.000	0.000	0.000
372	A	1721	GLY	0	0.045	0.029	81.268	-0.042	-0.042	0.000	0.000	0.000	0.000
373	A	1722	ASP	-1	-0.886	-0.958	80.508	-3.923	-3.923	0.000	0.000	0.000	0.000
374	A	1723	LYS	1	0.854	0.907	73.616	4.120	4.120	0.000	0.000	0.000	0.000
375	A	1724	PHE	0	0.011	-0.003	74.330	-0.066	-0.066	0.000	0.000	0.000	0.000
376	A	1725	ALA	0	-0.013	0.008	76.380	-0.053	-0.053	0.000	0.000	0.000	0.000
377	A	1726	LYS	1	0.894	0.939	76.028	3.918	3.918	0.000	0.000	0.000	0.000
378	A	1727	ILE	0	-0.054	-0.027	71.043	-0.052	-0.052	0.000	0.000	0.000	0.000
379	A	1728	SER	0	-0.069	-0.039	72.228	-0.045	-0.045	0.000	0.000	0.000	0.000
380	A	1729	PHE	0	0.019	0.026	74.138	-0.011	-0.011	0.000	0.000	0.000	0.000
381	A	1730	PHE	0	0.094	0.023	71.016	0.009	0.009	0.000	0.000	0.000	0.000
382	A	1731	LYS	1	0.851	0.914	68.623	4.473	4.473	0.000	0.000	0.000	0.000
383	A	1732	LYS	1	0.874	0.948	71.601	3.993	3.993	0.000	0.000	0.000	0.000
384	A	1733	PHE	0	0.046	0.021	74.117	0.007	0.007	0.000	0.000	0.000	0.000
385	A	1734	ALA	0	0.028	0.018	69.022	-0.014	-0.014	0.000	0.000	0.000	0.000
386	A	1735	ASP	-1	-0.881	-0.931	70.123	-4.479	-4.479	0.000	0.000	0.000	0.000
387	A	1736	PHE	0	0.006	0.004	71.773	-0.005	-0.005	0.000	0.000	0.000	0.000
388	A	1737	ILE	0	0.055	0.033	70.255	0.003	0.003	0.000	0.000	0.000	0.000
389	A	1738	ASN	0	-0.021	-0.014	67.420	-0.047	-0.047	0.000	0.000	0.000	0.000
390	A	1739	GLU	-1	-0.803	-0.892	70.083	-4.330	-4.330	0.000	0.000	0.000	0.000
391	A	1740	TYR	0	0.006	0.007	72.855	0.011	0.011	0.000	0.000	0.000	0.000
392	A	1741	LYS	1	0.951	0.986	67.348	4.613	4.613	0.000	0.000	0.000	0.000
393	A	1742	LYS	1	0.837	0.905	69.690	4.389	4.389	0.000	0.000	0.000	0.000
394	A	1743	ALA	0	-0.005	-0.005	70.781	0.002	0.002	0.000	0.000	0.000	0.000
395	A	1744	GLN	0	-0.047	-0.046	72.380	-0.036	-0.036	0.000	0.000	0.000	0.000
396	A	1745	ALA	0	-0.038	-0.014	69.026	-0.002	-0.002	0.000	0.000	0.000	0.000
397	A	1746	GLN	0	0.007	-0.011	71.026	0.043	0.043	0.000	0.000	0.000	0.000
398	A	1747	ASN	0	-0.070	-0.058	73.061	0.035	0.035	0.000	0.000	0.000	0.000
399	A	1748	LEU	0	0.004	0.006	71.595	0.028	0.028	0.000	0.000	0.000	0.000
400	A	1749	ALA	0	-0.009	0.006	70.779	-0.008	-0.008	0.000	0.000	0.000	0.000
401	A	1750	ALA	0	0.030	0.008	72.518	0.018	0.018	0.000	0.000	0.000	0.000
402	A	1751	GLU	-1	-0.758	-0.876	75.841	-4.051	-4.051	0.000	0.000	0.000	0.000
403	A	1752	GLU	-1	-0.916	-0.945	70.684	-4.433	-4.433	0.000	0.000	0.000	0.000
404	A	1753	GLU	-1	-0.895	-0.932	73.505	-4.306	-4.306	0.000	0.000	0.000	0.000
405	A	1754	GLU	-1	-0.931	-0.973	75.590	-3.924	-3.924	0.000	0.000	0.000	0.000
406	A	1755	ARG	1	0.823	0.907	73.901	4.279	4.279	0.000	0.000	0.000	0.000
407	A	1756	LEU	0	-0.072	-0.019	73.673	0.013	0.013	0.000	0.000	0.000	0.000
408	A	1757	TYR	0	-0.067	-0.062	75.305	0.044	0.044	0.000	0.000	0.000	0.000
409	A	1758	ILE	0	-0.025	-0.003	79.993	0.044	0.044	0.000	0.000	0.000	0.000
410	A	1759	LYS	1	0.887	0.958	76.868	4.178	4.178	0.000	0.000	0.000	0.000
411	A	1760	HIS	0	-0.020	-0.008	75.720	0.079	0.079	0.000	0.000	0.000	0.000

Top

Graph

Manual

About

Interactive mode: IFIE and PIEDA for fragment #1(A:1350:LYS)