FMO DATABASE

FMODB ID: 3QR6L

Calculation Name: 2YIN-A-Xray372

Preferred Name: Dedicator of cytokinesis protein 2

Target Type: SINGLE PROTEIN

Ligand Name:

ligand 3-letter code:

PDB ID: 2YIN

Chain ID: A

ChEMBL ID: CHEMBL4105810

UniProt ID: Q92608

Base Structure: X-ray

Registration Date: 2023-06-20

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	411
LigandResidueName
LigandFragmentNumber	0
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-7315003.658136
FMO2-HF: Nuclear repulsion	7141649.597989
FMO2-HF: Total energy	-173354.060147
FMO2-MP2: Total energy	-173853.536022

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:1196:SER)

Summations of interaction energy for fragment #1(A:1196:SER)

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.
-2.81	-3.077	11.314	-6.204	-4.841	-0.005

Interaction energy analysis for fragmet #1(A:1196:SER)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.001 / q_NPA : -0.021

Distance from base fragment(s) [Å]

Dist

Interaction energy by IFIE and PIEDA
[kcal/mol]

| Total | > | ES | > | EX | >
| CT+mix | > | DI(MP2) | >

Fragment charge [e]

FCHARGE q_Mulliken
q_NPA q(I=>J)

Residue

Res # RES

Sort

Graph Options

X Axis Label
Y Axis Max Y Axis Min
Display ES EX CT+mix DI(MP2)

frag_NumFragment number.	ChainChain species.	Res #Residue number.	RES3-letter code of amino acid residue, ligand and solvent molecule.	FCHARGEFormal charge [e].	q_MullikenFragment charge evaluated by Mulliken charge [e].	q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e].	DISTDistance from Ligand [Å].	TotalIFIE at MP2 level [kcal/mol].	ESElectro static interaction energy by PIEDA [kcal/mol].	EXExchange-repulsion energy by PIEDA [kcal/mol].	CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol].	DI(MP2)Dispersion energy by PIEDA [kcal/mol].	q(I=>J)Charge transfer value from I to J fragmens [e].
3	A	1198	ASP	-1	-0.785	-0.919	3.606	-0.392	1.546	0.043	-0.790	-1.191	0.002
4	A	1199	ASN	0	0.001	0.003	1.828	-0.649	-3.574	11.242	-5.421	-2.895	-0.008
5	A	1200	ARG	1	0.955	0.976	3.351	-1.945	-1.496	0.025	0.055	-0.528	0.001
6	A	1201	MET	0	0.057	0.065	5.598	-0.053	-0.053	0.000	0.000	0.000	0.000
7	A	1202	SER	0	0.034	0.023	6.887	-0.245	-0.245	0.000	0.000	0.000	0.000
8	A	1203	CYS	0	-0.057	-0.018	7.341	-0.152	-0.152	0.000	0.000	0.000	0.000
9	A	1204	THR	0	-0.007	-0.060	9.059	-0.079	-0.079	0.000	0.000	0.000	0.000
10	A	1205	VAL	0	0.027	0.023	11.228	-0.055	-0.055	0.000	0.000	0.000	0.000
11	A	1206	ASN	0	-0.018	-0.002	10.960	-0.017	-0.017	0.000	0.000	0.000	0.000
12	A	1207	LEU	0	-0.016	-0.013	12.661	-0.035	-0.035	0.000	0.000	0.000	0.000
13	A	1208	LEU	0	-0.023	0.005	15.091	-0.020	-0.020	0.000	0.000	0.000	0.000
14	A	1209	ASN	0	-0.020	-0.032	16.388	-0.008	-0.008	0.000	0.000	0.000	0.000
15	A	1210	PHE	0	0.044	0.032	17.961	-0.018	-0.018	0.000	0.000	0.000	0.000
16	A	1211	TYR	0	-0.027	-0.032	17.179	-0.021	-0.021	0.000	0.000	0.000	0.000
17	A	1212	LYS	1	0.862	0.931	20.675	-0.157	-0.157	0.000	0.000	0.000	0.000
18	A	1213	ASP	-1	-0.860	-0.908	22.271	0.100	0.100	0.000	0.000	0.000	0.000
19	A	1214	ASN	0	-0.045	-0.031	23.981	-0.001	-0.001	0.000	0.000	0.000	0.000
20	A	1215	ASN	0	0.009	0.015	25.885	-0.002	-0.002	0.000	0.000	0.000	0.000
21	A	1216	ARG	1	0.879	0.965	23.422	-0.020	-0.020	0.000	0.000	0.000	0.000
22	A	1217	GLU	-1	-0.849	-0.961	23.888	0.090	0.090	0.000	0.000	0.000	0.000
23	A	1218	GLU	-1	-0.889	-0.938	24.600	0.053	0.053	0.000	0.000	0.000	0.000
24	A	1219	MET	0	-0.068	-0.046	20.472	0.008	0.008	0.000	0.000	0.000	0.000
25	A	1220	TYR	0	0.027	0.012	19.891	0.016	0.016	0.000	0.000	0.000	0.000
26	A	1221	ILE	0	0.094	0.034	20.052	0.029	0.029	0.000	0.000	0.000	0.000
27	A	1222	ARG	1	0.954	0.990	17.125	-0.020	-0.020	0.000	0.000	0.000	0.000
28	A	1223	TYR	0	-0.049	-0.055	13.279	0.008	0.008	0.000	0.000	0.000	0.000
29	A	1224	LEU	0	-0.004	0.038	16.035	0.050	0.050	0.000	0.000	0.000	0.000
30	A	1225	TYR	0	-0.016	-0.044	17.241	0.052	0.052	0.000	0.000	0.000	0.000
31	A	1226	LYS	1	0.904	0.964	13.217	-0.101	-0.101	0.000	0.000	0.000	0.000
32	A	1227	LEU	0	-0.013	-0.004	11.662	0.070	0.070	0.000	0.000	0.000	0.000
33	A	1228	ARG	1	0.924	0.949	13.273	-0.198	-0.198	0.000	0.000	0.000	0.000
34	A	1229	ASP	-1	-0.873	-0.938	14.186	0.362	0.362	0.000	0.000	0.000	0.000
35	A	1230	LEU	0	-0.045	-0.017	8.001	0.078	0.078	0.000	0.000	0.000	0.000
36	A	1231	HIS	0	-0.025	-0.019	11.049	0.263	0.263	0.000	0.000	0.000	0.000
37	A	1232	LEU	0	-0.039	-0.020	13.055	0.013	0.013	0.000	0.000	0.000	0.000
38	A	1233	ASP	-1	-0.924	-0.934	10.444	0.716	0.716	0.000	0.000	0.000	0.000
39	A	1234	CYS	0	-0.118	-0.062	9.479	0.254	0.254	0.000	0.000	0.000	0.000
40	A	1235	ASP	-1	-0.879	-0.930	11.992	0.545	0.545	0.000	0.000	0.000	0.000
41	A	1236	ASN	0	-0.140	-0.074	11.347	-0.053	-0.053	0.000	0.000	0.000	0.000
42	A	1237	TYR	0	0.079	0.015	15.630	-0.039	-0.039	0.000	0.000	0.000	0.000
43	A	1238	THR	0	0.019	0.017	19.048	-0.039	-0.039	0.000	0.000	0.000	0.000
44	A	1239	GLU	-1	-0.895	-0.955	14.653	0.610	0.610	0.000	0.000	0.000	0.000
45	A	1240	ALA	0	-0.001	-0.013	16.930	-0.026	-0.026	0.000	0.000	0.000	0.000
46	A	1241	ALA	0	-0.036	-0.015	17.851	-0.040	-0.040	0.000	0.000	0.000	0.000
47	A	1242	TYR	0	-0.011	-0.034	19.676	-0.018	-0.018	0.000	0.000	0.000	0.000
48	A	1243	THR	0	-0.094	-0.030	16.048	-0.033	-0.033	0.000	0.000	0.000	0.000
49	A	1244	LEU	0	0.079	0.029	19.417	-0.028	-0.028	0.000	0.000	0.000	0.000
50	A	1245	LEU	0	-0.006	0.005	22.249	-0.024	-0.024	0.000	0.000	0.000	0.000
51	A	1246	LEU	0	-0.052	-0.022	19.385	-0.013	-0.013	0.000	0.000	0.000	0.000
52	A	1247	HIS	0	0.029	0.037	23.473	-0.008	-0.008	0.000	0.000	0.000	0.000
53	A	1248	THR	0	0.020	0.006	25.211	-0.014	-0.014	0.000	0.000	0.000	0.000
54	A	1249	TRP	0	0.004	0.015	27.024	-0.009	-0.009	0.000	0.000	0.000	0.000
55	A	1250	LEU	0	-0.039	-0.026	26.081	-0.010	-0.010	0.000	0.000	0.000	0.000
56	A	1251	LEU	0	-0.053	0.000	29.546	-0.009	-0.009	0.000	0.000	0.000	0.000
57	A	1252	LYS	1	0.814	0.875	32.163	-0.068	-0.068	0.000	0.000	0.000	0.000
58	A	1253	TRP	0	0.036	0.004	34.560	-0.001	-0.001	0.000	0.000	0.000	0.000
59	A	1254	SER	0	-0.073	-0.077	38.221	-0.002	-0.002	0.000	0.000	0.000	0.000
60	A	1255	ASP	-1	-0.875	-0.950	39.381	0.060	0.060	0.000	0.000	0.000	0.000
61	A	1256	GLU	-1	-0.752	-0.787	38.615	0.066	0.066	0.000	0.000	0.000	0.000
62	A	1271	GLN	0	-0.036	-0.044	31.697	0.001	0.001	0.000	0.000	0.000	0.000
63	A	1272	THR	0	-0.017	-0.020	35.737	0.002	0.002	0.000	0.000	0.000	0.000
64	A	1273	HIS	0	0.035	0.009	34.795	0.008	0.008	0.000	0.000	0.000	0.000
65	A	1274	ARG	1	0.971	0.973	34.832	-0.072	-0.072	0.000	0.000	0.000	0.000
66	A	1275	GLN	0	0.083	0.082	35.992	0.005	0.005	0.000	0.000	0.000	0.000
67	A	1276	LEU	0	0.012	0.021	29.304	0.006	0.006	0.000	0.000	0.000	0.000
68	A	1277	LYS	1	0.848	0.926	31.205	-0.108	-0.108	0.000	0.000	0.000	0.000
69	A	1278	GLU	-1	-0.909	-0.952	31.689	0.110	0.110	0.000	0.000	0.000	0.000
70	A	1279	THR	0	-0.022	-0.017	30.664	0.007	0.007	0.000	0.000	0.000	0.000
71	A	1280	LEU	0	-0.012	-0.014	26.323	0.015	0.015	0.000	0.000	0.000	0.000
72	A	1281	TYR	0	-0.100	-0.112	27.703	0.021	0.021	0.000	0.000	0.000	0.000
73	A	1282	GLU	-1	-0.894	-0.933	29.605	0.139	0.139	0.000	0.000	0.000	0.000
74	A	1283	THR	0	-0.065	-0.052	24.868	0.010	0.010	0.000	0.000	0.000	0.000
75	A	1284	ILE	0	-0.052	-0.020	24.493	0.022	0.022	0.000	0.000	0.000	0.000
76	A	1285	ILE	0	0.001	-0.004	25.737	0.018	0.018	0.000	0.000	0.000	0.000
77	A	1286	GLY	0	0.015	0.018	27.238	0.003	0.003	0.000	0.000	0.000	0.000
78	A	1287	TYR	0	-0.043	-0.022	21.231	0.020	0.020	0.000	0.000	0.000	0.000
79	A	1288	PHE	0	0.044	0.003	23.069	0.025	0.025	0.000	0.000	0.000	0.000
80	A	1289	ASP	-1	-0.875	-0.925	25.236	0.209	0.209	0.000	0.000	0.000	0.000
81	A	1290	LYS	1	0.929	0.971	22.693	-0.280	-0.280	0.000	0.000	0.000	0.000
82	A	1291	GLY	0	-0.074	-0.049	22.115	0.017	0.017	0.000	0.000	0.000	0.000
83	A	1292	LYS	1	0.894	0.953	22.979	-0.292	-0.292	0.000	0.000	0.000	0.000
84	A	1293	MET	0	-0.054	-0.005	23.380	-0.007	-0.007	0.000	0.000	0.000	0.000
85	A	1294	TRP	0	0.069	0.013	26.674	-0.008	-0.008	0.000	0.000	0.000	0.000
86	A	1295	GLU	-1	-0.812	-0.897	29.616	0.191	0.191	0.000	0.000	0.000	0.000
87	A	1296	GLU	-1	-0.822	-0.908	26.420	0.220	0.220	0.000	0.000	0.000	0.000
88	A	1297	ALA	0	0.001	0.014	28.999	-0.008	-0.008	0.000	0.000	0.000	0.000
89	A	1298	ILE	0	0.016	0.003	30.214	-0.011	-0.011	0.000	0.000	0.000	0.000
90	A	1299	SER	0	-0.077	-0.039	31.157	-0.012	-0.012	0.000	0.000	0.000	0.000
91	A	1300	LEU	0	0.063	0.030	27.963	-0.007	-0.007	0.000	0.000	0.000	0.000
92	A	1301	CYS	0	-0.055	-0.025	32.546	-0.009	-0.009	0.000	0.000	0.000	0.000
93	A	1302	LYS	1	0.939	0.967	35.324	-0.125	-0.125	0.000	0.000	0.000	0.000
94	A	1303	GLU	-1	-0.815	-0.854	33.493	0.136	0.136	0.000	0.000	0.000	0.000
95	A	1304	LEU	0	-0.037	-0.015	33.626	-0.005	-0.005	0.000	0.000	0.000	0.000
96	A	1305	ALA	0	-0.001	-0.012	37.542	-0.006	-0.006	0.000	0.000	0.000	0.000
97	A	1306	GLU	-1	-0.920	-0.950	40.329	0.086	0.086	0.000	0.000	0.000	0.000
98	A	1307	GLN	0	0.067	0.041	38.903	-0.009	-0.009	0.000	0.000	0.000	0.000
99	A	1308	TYR	0	-0.047	-0.017	37.991	-0.002	-0.002	0.000	0.000	0.000	0.000
100	A	1309	GLU	-1	-0.927	-0.979	43.337	0.073	0.073	0.000	0.000	0.000	0.000
101	A	1310	MET	0	-0.081	-0.048	45.515	-0.004	-0.004	0.000	0.000	0.000	0.000
102	A	1311	GLU	-1	-0.926	-0.944	43.257	0.069	0.069	0.000	0.000	0.000	0.000
103	A	1312	ILE	0	-0.110	-0.060	42.049	-0.002	-0.002	0.000	0.000	0.000	0.000
104	A	1313	PHE	0	-0.062	-0.023	46.115	-0.002	-0.002	0.000	0.000	0.000	0.000
105	A	1314	ASP	-1	-0.797	-0.898	43.703	0.073	0.073	0.000	0.000	0.000	0.000
106	A	1315	TYR	0	0.012	-0.021	44.763	0.003	0.003	0.000	0.000	0.000	0.000
107	A	1316	GLU	-1	-0.914	-0.943	45.597	0.068	0.068	0.000	0.000	0.000	0.000
108	A	1317	LEU	0	0.033	0.031	39.836	0.005	0.005	0.000	0.000	0.000	0.000
109	A	1318	LEU	0	-0.038	0.005	41.137	0.007	0.007	0.000	0.000	0.000	0.000
110	A	1319	SER	0	-0.071	-0.059	42.660	0.004	0.004	0.000	0.000	0.000	0.000
111	A	1320	GLN	0	0.063	0.029	39.570	0.004	0.004	0.000	0.000	0.000	0.000
112	A	1321	ASN	0	-0.019	0.002	37.183	0.006	0.006	0.000	0.000	0.000	0.000
113	A	1322	LEU	0	0.014	-0.005	38.825	0.006	0.006	0.000	0.000	0.000	0.000
114	A	1323	ILE	0	-0.025	-0.005	39.851	0.003	0.003	0.000	0.000	0.000	0.000
115	A	1324	GLN	0	0.069	0.015	33.565	0.000	0.000	0.000	0.000	0.000	0.000
116	A	1325	GLN	0	-0.071	-0.049	36.500	0.009	0.009	0.000	0.000	0.000	0.000
117	A	1326	ALA	0	-0.004	0.003	37.724	0.003	0.003	0.000	0.000	0.000	0.000
118	A	1327	LYS	1	0.951	0.989	33.214	-0.153	-0.153	0.000	0.000	0.000	0.000
119	A	1328	PHE	0	-0.041	0.027	31.756	0.006	0.006	0.000	0.000	0.000	0.000
120	A	1329	TYR	0	0.015	-0.010	34.945	0.002	0.002	0.000	0.000	0.000	0.000
121	A	1330	GLU	-1	-0.882	-0.916	37.481	0.112	0.112	0.000	0.000	0.000	0.000
122	A	1331	SER	0	-0.045	-0.082	33.150	0.002	0.002	0.000	0.000	0.000	0.000
123	A	1332	ILE	0	-0.041	-0.015	32.980	0.005	0.005	0.000	0.000	0.000	0.000
124	A	1333	MET	0	-0.058	-0.038	34.565	0.003	0.003	0.000	0.000	0.000	0.000
125	A	1334	LYS	1	0.905	0.961	36.924	-0.114	-0.114	0.000	0.000	0.000	0.000
126	A	1335	ILE	0	-0.012	0.009	30.822	0.001	0.001	0.000	0.000	0.000	0.000
127	A	1336	LEU	0	-0.019	-0.004	31.989	0.007	0.007	0.000	0.000	0.000	0.000
128	A	1337	ARG	1	0.789	0.877	26.938	-0.210	-0.210	0.000	0.000	0.000	0.000
129	A	1338	PRO	0	-0.009	0.005	24.445	-0.008	-0.008	0.000	0.000	0.000	0.000
130	A	1339	LYS	1	0.931	0.969	25.015	-0.245	-0.245	0.000	0.000	0.000	0.000
131	A	1340	PRO	0	-0.017	0.004	20.628	0.004	0.004	0.000	0.000	0.000	0.000
132	A	1341	ASP	-1	-0.901	-0.949	20.187	0.279	0.279	0.000	0.000	0.000	0.000
133	A	1342	TYR	0	0.008	-0.024	18.924	0.062	0.062	0.000	0.000	0.000	0.000
134	A	1343	PHE	0	-0.021	-0.004	15.230	-0.063	-0.063	0.000	0.000	0.000	0.000
135	A	1344	ALA	0	0.018	0.014	16.787	0.048	0.048	0.000	0.000	0.000	0.000
136	A	1345	VAL	0	0.013	-0.017	12.169	-0.026	-0.026	0.000	0.000	0.000	0.000
137	A	1346	GLY	0	-0.012	-0.008	15.379	0.007	0.007	0.000	0.000	0.000	0.000
138	A	1347	TYR	0	-0.027	-0.010	9.755	-0.009	-0.009	0.000	0.000	0.000	0.000
139	A	1348	TYR	0	-0.010	-0.008	14.867	-0.015	-0.015	0.000	0.000	0.000	0.000
140	A	1349	GLY	0	0.109	0.069	17.048	-0.013	-0.013	0.000	0.000	0.000	0.000
141	A	1350	GLN	0	-0.040	-0.047	17.170	0.013	0.013	0.000	0.000	0.000	0.000
142	A	1351	GLY	0	-0.004	0.022	15.064	-0.027	-0.027	0.000	0.000	0.000	0.000
143	A	1352	PHE	0	-0.068	-0.040	10.946	-0.059	-0.059	0.000	0.000	0.000	0.000
144	A	1353	PRO	0	0.042	0.025	9.785	0.020	0.020	0.000	0.000	0.000	0.000
145	A	1354	SER	0	0.033	-0.012	12.907	0.054	0.054	0.000	0.000	0.000	0.000
146	A	1355	PHE	0	0.013	-0.013	7.444	0.000	0.000	0.000	0.000	0.000	0.000
147	A	1356	LEU	0	0.039	0.022	8.381	0.046	0.046	0.000	0.000	0.000	0.000
148	A	1357	ARG	1	0.896	0.987	12.944	0.004	0.004	0.000	0.000	0.000	0.000
149	A	1358	ASN	0	-0.019	-0.044	15.988	0.012	0.012	0.000	0.000	0.000	0.000
150	A	1359	LYS	1	0.878	0.971	15.837	-0.161	-0.161	0.000	0.000	0.000	0.000
151	A	1360	VAL	0	0.022	0.016	16.296	0.016	0.016	0.000	0.000	0.000	0.000
152	A	1361	PHE	0	-0.003	0.011	13.563	0.016	0.016	0.000	0.000	0.000	0.000
153	A	1362	ILE	0	-0.009	0.005	15.913	0.003	0.003	0.000	0.000	0.000	0.000
154	A	1363	TYR	0	0.012	0.002	9.017	-0.100	-0.100	0.000	0.000	0.000	0.000
155	A	1364	ARG	1	0.886	0.937	15.183	-0.510	-0.510	0.000	0.000	0.000	0.000
156	A	1365	GLY	0	-0.018	-0.006	15.271	0.099	0.099	0.000	0.000	0.000	0.000
157	A	1366	LYS	1	0.877	0.920	12.788	-0.878	-0.878	0.000	0.000	0.000	0.000
158	A	1367	GLU	-1	-0.857	-0.943	16.827	0.292	0.292	0.000	0.000	0.000	0.000
159	A	1368	TYR	0	-0.038	-0.027	19.549	0.001	0.001	0.000	0.000	0.000	0.000
160	A	1369	GLU	-1	-0.852	-0.907	13.327	0.854	0.854	0.000	0.000	0.000	0.000
161	A	1370	ARG	1	0.972	0.991	18.119	-0.263	-0.263	0.000	0.000	0.000	0.000
162	A	1371	ARG	1	0.961	0.968	17.188	-0.218	-0.218	0.000	0.000	0.000	0.000
163	A	1372	GLU	-1	-0.902	-0.952	16.590	0.284	0.284	0.000	0.000	0.000	0.000
164	A	1373	ASP	-1	-0.851	-0.929	15.156	0.367	0.367	0.000	0.000	0.000	0.000
165	A	1374	PHE	0	-0.025	0.000	11.634	0.070	0.070	0.000	0.000	0.000	0.000
166	A	1375	GLN	0	-0.017	-0.023	11.681	0.097	0.097	0.000	0.000	0.000	0.000
167	A	1376	MET	0	-0.012	0.004	12.285	-0.034	-0.034	0.000	0.000	0.000	0.000
168	A	1377	GLN	0	0.016	-0.005	7.849	0.255	0.255	0.000	0.000	0.000	0.000
169	A	1378	LEU	0	-0.014	-0.007	7.909	0.042	0.042	0.000	0.000	0.000	0.000
170	A	1379	MET	0	-0.033	-0.025	8.483	-0.123	-0.123	0.000	0.000	0.000	0.000
171	A	1380	THR	0	0.009	0.004	6.778	-0.197	-0.197	0.000	0.000	0.000	0.000
172	A	1381	GLN	0	-0.113	-0.038	3.610	-0.769	-0.498	0.004	-0.048	-0.227	0.000
173	A	1382	PHE	0	-0.067	-0.042	5.621	-0.559	-0.559	0.000	0.000	0.000	0.000
174	A	1383	PRO	0	0.034	0.022	8.480	0.144	0.144	0.000	0.000	0.000	0.000
175	A	1384	ASN	0	0.005	0.004	11.536	0.057	0.057	0.000	0.000	0.000	0.000
176	A	1385	ALA	0	-0.057	-0.017	12.027	0.044	0.044	0.000	0.000	0.000	0.000
177	A	1386	GLU	-1	-0.946	-0.961	13.727	0.006	0.006	0.000	0.000	0.000	0.000
178	A	1387	LYS	1	0.924	0.946	16.245	-0.076	-0.076	0.000	0.000	0.000	0.000
179	A	1388	MET	0	0.036	0.019	17.554	-0.006	-0.006	0.000	0.000	0.000	0.000
180	A	1389	ASN	0	-0.024	-0.025	20.477	0.013	0.013	0.000	0.000	0.000	0.000
181	A	1390	THR	0	-0.035	-0.006	23.265	-0.001	-0.001	0.000	0.000	0.000	0.000
182	A	1391	THR	0	0.028	0.009	22.989	0.003	0.003	0.000	0.000	0.000	0.000
183	A	1392	SER	0	-0.013	-0.012	24.340	0.009	0.009	0.000	0.000	0.000	0.000
184	A	1393	ALA	0	0.028	0.024	24.672	0.002	0.002	0.000	0.000	0.000	0.000
185	A	1394	PRO	0	0.001	0.016	21.829	-0.009	-0.009	0.000	0.000	0.000	0.000
186	A	1395	GLY	0	0.043	0.016	24.818	0.002	0.002	0.000	0.000	0.000	0.000
187	A	1396	ASP	-1	-0.857	-0.945	25.546	0.009	0.009	0.000	0.000	0.000	0.000
188	A	1397	ASP	-1	-0.851	-0.918	25.991	-0.002	-0.002	0.000	0.000	0.000	0.000
189	A	1398	VAL	0	-0.026	-0.016	21.523	-0.010	-0.010	0.000	0.000	0.000	0.000
190	A	1399	LYS	1	0.862	0.936	21.718	-0.065	-0.065	0.000	0.000	0.000	0.000
191	A	1400	ASN	0	-0.121	-0.067	21.797	-0.011	-0.011	0.000	0.000	0.000	0.000
192	A	1401	ALA	0	0.005	0.033	21.865	-0.016	-0.016	0.000	0.000	0.000	0.000
193	A	1402	PRO	0	0.014	0.003	20.374	-0.002	-0.002	0.000	0.000	0.000	0.000
194	A	1403	GLY	0	0.012	0.006	17.634	-0.029	-0.029	0.000	0.000	0.000	0.000
195	A	1404	GLN	0	-0.017	-0.008	10.516	0.024	0.024	0.000	0.000	0.000	0.000
196	A	1405	TYR	0	0.049	0.024	15.443	-0.005	-0.005	0.000	0.000	0.000	0.000
197	A	1406	ILE	0	0.020	0.008	11.148	0.023	0.023	0.000	0.000	0.000	0.000
198	A	1407	GLN	0	-0.044	-0.020	15.472	0.004	0.004	0.000	0.000	0.000	0.000
199	A	1408	CYS	0	-0.006	0.000	14.874	0.052	0.052	0.000	0.000	0.000	0.000
200	A	1409	PHE	0	-0.032	-0.014	17.380	-0.029	-0.029	0.000	0.000	0.000	0.000
201	A	1410	THR	0	0.020	0.008	19.883	0.029	0.029	0.000	0.000	0.000	0.000
202	A	1411	VAL	0	-0.044	-0.015	20.804	-0.032	-0.032	0.000	0.000	0.000	0.000
203	A	1412	GLN	0	0.028	-0.010	23.393	0.018	0.018	0.000	0.000	0.000	0.000
204	A	1413	PRO	0	-0.004	0.007	24.497	-0.006	-0.006	0.000	0.000	0.000	0.000
205	A	1414	VAL	0	-0.048	-0.017	26.350	-0.017	-0.017	0.000	0.000	0.000	0.000
206	A	1415	LEU	0	-0.026	-0.013	29.404	0.007	0.007	0.000	0.000	0.000	0.000
207	A	1416	ASP	-1	-0.817	-0.874	29.782	0.166	0.166	0.000	0.000	0.000	0.000
208	A	1417	GLU	-1	-0.908	-0.959	31.785	0.110	0.110	0.000	0.000	0.000	0.000
209	A	1418	HIS	0	-0.033	-0.031	31.445	0.008	0.008	0.000	0.000	0.000	0.000
210	A	1419	PRO	0	0.016	-0.009	36.376	-0.005	-0.005	0.000	0.000	0.000	0.000
211	A	1420	ARG	1	0.927	0.969	34.436	-0.147	-0.147	0.000	0.000	0.000	0.000
212	A	1421	PHE	0	0.004	-0.017	35.352	-0.004	-0.004	0.000	0.000	0.000	0.000
213	A	1422	LYS	1	0.891	0.978	39.530	-0.106	-0.106	0.000	0.000	0.000	0.000
214	A	1423	ASN	0	0.029	0.002	42.382	-0.001	-0.001	0.000	0.000	0.000	0.000
215	A	1424	LYS	1	0.909	0.967	43.783	-0.086	-0.086	0.000	0.000	0.000	0.000
216	A	1425	PRO	0	0.042	0.043	44.247	0.003	0.003	0.000	0.000	0.000	0.000
217	A	1426	VAL	0	0.006	-0.021	38.870	0.000	0.000	0.000	0.000	0.000	0.000
218	A	1427	PRO	0	0.023	0.016	40.227	0.001	0.001	0.000	0.000	0.000	0.000
219	A	1428	ASP	-1	-0.793	-0.926	37.930	0.123	0.123	0.000	0.000	0.000	0.000
220	A	1429	GLN	0	-0.051	-0.024	35.277	0.007	0.007	0.000	0.000	0.000	0.000
221	A	1430	ILE	0	-0.012	-0.016	34.727	0.009	0.009	0.000	0.000	0.000	0.000
222	A	1431	ILE	0	-0.002	0.018	34.386	0.010	0.010	0.000	0.000	0.000	0.000
223	A	1432	ASN	0	0.029	-0.001	32.719	0.005	0.005	0.000	0.000	0.000	0.000
224	A	1433	PHE	0	0.000	0.010	26.684	0.012	0.012	0.000	0.000	0.000	0.000
225	A	1434	TYR	0	0.063	0.018	28.720	0.012	0.012	0.000	0.000	0.000	0.000
226	A	1435	LYS	1	0.895	0.959	29.319	-0.147	-0.147	0.000	0.000	0.000	0.000
227	A	1436	SER	0	-0.004	-0.001	25.768	0.006	0.006	0.000	0.000	0.000	0.000
228	A	1437	ASN	0	-0.030	-0.007	24.297	0.061	0.061	0.000	0.000	0.000	0.000
229	A	1438	TYR	0	0.073	0.042	24.543	-0.017	-0.017	0.000	0.000	0.000	0.000
230	A	1439	VAL	0	-0.016	0.033	23.582	-0.023	-0.023	0.000	0.000	0.000	0.000
231	A	1440	GLN	0	-0.007	-0.031	23.949	0.014	0.014	0.000	0.000	0.000	0.000
232	A	1441	ARG	1	0.950	0.982	25.022	-0.153	-0.153	0.000	0.000	0.000	0.000
233	A	1442	PHE	0	0.021	0.003	22.116	0.009	0.009	0.000	0.000	0.000	0.000
234	A	1443	HIS	0	0.064	0.034	25.847	-0.013	-0.013	0.000	0.000	0.000	0.000
235	A	1444	TYR	0	0.004	0.013	24.998	0.012	0.012	0.000	0.000	0.000	0.000
236	A	1445	SER	0	0.000	0.002	27.040	-0.015	-0.015	0.000	0.000	0.000	0.000
237	A	1446	ARG	1	0.971	0.992	28.659	-0.086	-0.086	0.000	0.000	0.000	0.000
238	A	1447	PRO	0	0.020	0.027	31.130	-0.005	-0.005	0.000	0.000	0.000	0.000
239	A	1448	VAL	0	-0.047	-0.034	34.117	-0.002	-0.002	0.000	0.000	0.000	0.000
240	A	1449	ARG	1	0.891	0.943	36.442	-0.064	-0.064	0.000	0.000	0.000	0.000
241	A	1450	ARG	1	0.868	0.932	37.793	-0.062	-0.062	0.000	0.000	0.000	0.000
242	A	1451	GLY	0	0.035	0.034	42.550	-0.003	-0.003	0.000	0.000	0.000	0.000
243	A	1452	THR	0	0.027	-0.007	45.164	0.001	0.001	0.000	0.000	0.000	0.000
244	A	1453	VAL	0	-0.017	-0.017	43.208	0.002	0.002	0.000	0.000	0.000	0.000
245	A	1454	ASP	-1	-0.890	-0.927	46.587	0.039	0.039	0.000	0.000	0.000	0.000
246	A	1455	PRO	0	-0.027	-0.006	46.927	0.002	0.002	0.000	0.000	0.000	0.000
247	A	1456	GLU	-1	-0.881	-0.962	46.834	0.042	0.042	0.000	0.000	0.000	0.000
248	A	1457	ASN	0	-0.060	-0.042	46.947	0.005	0.005	0.000	0.000	0.000	0.000
249	A	1458	GLU	-1	-0.826	-0.913	40.810	0.067	0.067	0.000	0.000	0.000	0.000
250	A	1459	PHE	0	0.010	-0.014	40.719	0.000	0.000	0.000	0.000	0.000	0.000
251	A	1460	ALA	0	0.037	0.019	43.846	0.002	0.002	0.000	0.000	0.000	0.000
252	A	1461	SER	0	-0.042	-0.006	43.875	0.000	0.000	0.000	0.000	0.000	0.000
253	A	1462	MET	0	-0.057	-0.034	37.929	0.002	0.002	0.000	0.000	0.000	0.000
254	A	1463	TRP	0	0.040	0.023	39.232	0.000	0.000	0.000	0.000	0.000	0.000
255	A	1464	ILE	0	0.014	0.014	33.606	0.003	0.003	0.000	0.000	0.000	0.000
256	A	1465	GLU	-1	-0.876	-0.893	32.664	0.074	0.074	0.000	0.000	0.000	0.000
257	A	1466	ARG	1	0.867	0.900	31.051	-0.111	-0.111	0.000	0.000	0.000	0.000
258	A	1467	THR	0	-0.013	0.001	26.463	-0.006	-0.006	0.000	0.000	0.000	0.000
259	A	1468	SER	0	-0.063	-0.040	28.065	0.008	0.008	0.000	0.000	0.000	0.000
260	A	1469	PHE	0	0.023	-0.009	22.698	-0.005	-0.005	0.000	0.000	0.000	0.000
261	A	1470	VAL	0	0.011	0.014	25.080	0.006	0.006	0.000	0.000	0.000	0.000
262	A	1471	THR	0	-0.004	-0.016	20.162	-0.011	-0.011	0.000	0.000	0.000	0.000
263	A	1472	ALA	0	0.026	0.016	20.210	-0.015	-0.015	0.000	0.000	0.000	0.000
264	A	1473	TYR	0	0.003	0.005	19.163	-0.021	-0.021	0.000	0.000	0.000	0.000
265	A	1474	LYS	1	0.849	0.908	21.422	-0.197	-0.197	0.000	0.000	0.000	0.000
266	A	1475	LEU	0	-0.022	0.021	17.215	0.034	0.034	0.000	0.000	0.000	0.000
267	A	1476	PRO	0	-0.023	-0.030	19.632	-0.023	-0.023	0.000	0.000	0.000	0.000
268	A	1477	GLY	0	0.069	0.031	18.651	-0.043	-0.043	0.000	0.000	0.000	0.000
269	A	1478	ILE	0	0.032	0.016	15.350	0.045	0.045	0.000	0.000	0.000	0.000
270	A	1479	LEU	0	-0.027	-0.015	10.622	0.080	0.080	0.000	0.000	0.000	0.000
271	A	1480	ARG	1	0.941	0.979	11.912	-0.855	-0.855	0.000	0.000	0.000	0.000
272	A	1481	TRP	0	0.005	0.005	7.786	0.082	0.082	0.000	0.000	0.000	0.000
273	A	1482	PHE	0	-0.014	-0.007	14.165	-0.018	-0.018	0.000	0.000	0.000	0.000
274	A	1483	GLU	-1	-0.847	-0.924	16.228	0.215	0.215	0.000	0.000	0.000	0.000
275	A	1484	VAL	0	-0.064	-0.049	17.300	-0.017	-0.017	0.000	0.000	0.000	0.000
276	A	1485	VAL	0	0.001	-0.002	20.647	-0.015	-0.015	0.000	0.000	0.000	0.000
277	A	1486	HIS	0	-0.037	-0.016	23.146	-0.014	-0.014	0.000	0.000	0.000	0.000
278	A	1487	MET	0	0.008	-0.008	24.205	0.017	0.017	0.000	0.000	0.000	0.000
279	A	1488	SER	0	-0.053	-0.011	27.280	-0.014	-0.014	0.000	0.000	0.000	0.000
280	A	1489	GLN	0	0.025	0.001	30.155	0.015	0.015	0.000	0.000	0.000	0.000
281	A	1490	THR	0	-0.019	-0.008	32.131	-0.007	-0.007	0.000	0.000	0.000	0.000
282	A	1491	THR	0	-0.047	-0.039	34.728	0.005	0.005	0.000	0.000	0.000	0.000
283	A	1492	ILE	0	-0.022	-0.002	36.451	-0.001	-0.001	0.000	0.000	0.000	0.000
284	A	1493	SER	0	0.006	-0.026	39.042	-0.001	-0.001	0.000	0.000	0.000	0.000
285	A	1494	PRO	0	0.027	0.013	41.973	0.004	0.004	0.000	0.000	0.000	0.000
286	A	1495	LEU	0	0.021	0.026	43.236	0.002	0.002	0.000	0.000	0.000	0.000
287	A	1496	GLU	-1	-0.818	-0.903	41.396	0.076	0.076	0.000	0.000	0.000	0.000
288	A	1497	ASN	0	-0.002	-0.011	37.513	0.004	0.004	0.000	0.000	0.000	0.000
289	A	1498	ALA	0	0.011	0.013	40.589	0.004	0.004	0.000	0.000	0.000	0.000
290	A	1499	ILE	0	0.016	0.011	43.343	0.002	0.002	0.000	0.000	0.000	0.000
291	A	1500	GLU	-1	-0.825	-0.884	37.172	0.110	0.110	0.000	0.000	0.000	0.000
292	A	1501	THR	0	-0.061	-0.031	39.503	0.005	0.005	0.000	0.000	0.000	0.000
293	A	1502	MET	0	-0.018	-0.005	40.485	0.001	0.001	0.000	0.000	0.000	0.000
294	A	1503	SER	0	-0.006	-0.013	40.881	-0.001	-0.001	0.000	0.000	0.000	0.000
295	A	1504	THR	0	-0.019	-0.011	36.373	0.005	0.005	0.000	0.000	0.000	0.000
296	A	1505	ALA	0	-0.040	-0.009	39.441	0.003	0.003	0.000	0.000	0.000	0.000
297	A	1506	ASN	0	0.053	0.005	41.675	0.000	0.000	0.000	0.000	0.000	0.000
298	A	1507	GLU	-1	-0.935	-0.966	38.371	0.115	0.115	0.000	0.000	0.000	0.000
299	A	1508	LYS	1	0.945	0.961	35.724	-0.120	-0.120	0.000	0.000	0.000	0.000
300	A	1509	ILE	0	-0.023	0.008	40.101	0.000	0.000	0.000	0.000	0.000	0.000
301	A	1510	LEU	0	0.008	-0.002	43.608	-0.001	-0.001	0.000	0.000	0.000	0.000
302	A	1511	MET	0	-0.010	-0.004	37.115	0.003	0.003	0.000	0.000	0.000	0.000
303	A	1512	MET	0	0.010	0.024	38.651	0.000	0.000	0.000	0.000	0.000	0.000
304	A	1513	ILE	0	-0.034	-0.027	42.206	-0.002	-0.002	0.000	0.000	0.000	0.000
305	A	1514	ASN	0	0.001	0.011	43.067	-0.005	-0.005	0.000	0.000	0.000	0.000
306	A	1515	GLN	0	-0.024	-0.020	38.658	0.001	0.001	0.000	0.000	0.000	0.000
307	A	1516	TYR	0	-0.055	-0.085	41.558	0.000	0.000	0.000	0.000	0.000	0.000
308	A	1517	GLN	0	-0.067	-0.033	45.016	-0.001	-0.001	0.000	0.000	0.000	0.000
309	A	1518	SER	0	-0.075	-0.019	43.016	-0.003	-0.003	0.000	0.000	0.000	0.000
310	A	1519	ASP	-1	-0.791	-0.893	41.896	0.100	0.100	0.000	0.000	0.000	0.000
311	A	1520	GLU	-1	-0.932	-0.997	44.887	0.070	0.070	0.000	0.000	0.000	0.000
312	A	1521	THR	0	-0.065	-0.032	42.301	-0.003	-0.003	0.000	0.000	0.000	0.000
313	A	1522	LEU	0	-0.078	-0.019	39.260	0.002	0.002	0.000	0.000	0.000	0.000
314	A	1523	PRO	0	0.035	0.022	39.456	-0.006	-0.006	0.000	0.000	0.000	0.000
315	A	1524	ILE	0	0.084	0.073	42.299	0.004	0.004	0.000	0.000	0.000	0.000
316	A	1525	ASN	0	0.009	0.027	41.303	-0.002	-0.002	0.000	0.000	0.000	0.000
317	A	1526	PRO	0	-0.022	-0.025	38.187	-0.001	-0.001	0.000	0.000	0.000	0.000
318	A	1527	LEU	0	0.028	0.024	40.273	0.001	0.001	0.000	0.000	0.000	0.000
319	A	1528	SER	0	0.011	-0.014	43.421	-0.001	-0.001	0.000	0.000	0.000	0.000
320	A	1529	MET	0	-0.062	-0.032	37.434	-0.001	-0.001	0.000	0.000	0.000	0.000
321	A	1530	LEU	0	-0.028	-0.002	40.041	-0.001	-0.001	0.000	0.000	0.000	0.000
322	A	1531	LEU	0	0.008	0.000	42.346	-0.002	-0.002	0.000	0.000	0.000	0.000
323	A	1532	ASN	0	0.061	0.018	45.982	-0.004	-0.004	0.000	0.000	0.000	0.000
324	A	1533	GLY	0	-0.022	0.003	43.642	-0.003	-0.003	0.000	0.000	0.000	0.000
325	A	1534	ILE	0	-0.035	-0.014	42.601	0.001	0.001	0.000	0.000	0.000	0.000
326	A	1535	VAL	0	-0.060	-0.027	46.109	-0.003	-0.003	0.000	0.000	0.000	0.000
327	A	1536	ASP	-1	-0.904	-0.973	48.611	0.051	0.051	0.000	0.000	0.000	0.000
328	A	1537	PRO	0	-0.050	0.010	46.071	0.001	0.001	0.000	0.000	0.000	0.000
329	A	1538	ALA	0	0.012	-0.005	47.234	-0.001	-0.001	0.000	0.000	0.000	0.000
330	A	1539	VAL	0	-0.052	-0.015	42.567	-0.002	-0.002	0.000	0.000	0.000	0.000
331	A	1540	MET	0	-0.001	-0.002	40.789	-0.001	-0.001	0.000	0.000	0.000	0.000
332	A	1541	GLY	0	-0.039	-0.045	44.494	-0.002	-0.002	0.000	0.000	0.000	0.000
333	A	1542	GLY	0	0.141	0.081	46.461	-0.001	-0.001	0.000	0.000	0.000	0.000
334	A	1543	PHE	0	-0.022	-0.026	47.447	0.001	0.001	0.000	0.000	0.000	0.000
335	A	1544	ALA	0	0.047	0.029	48.625	-0.001	-0.001	0.000	0.000	0.000	0.000
336	A	1545	LYS	1	0.878	0.948	46.365	-0.055	-0.055	0.000	0.000	0.000	0.000
337	A	1546	TYR	0	0.035	0.008	42.436	0.000	0.000	0.000	0.000	0.000	0.000
338	A	1547	GLU	-1	-0.822	-0.917	49.034	0.049	0.049	0.000	0.000	0.000	0.000
339	A	1548	LYS	1	0.889	0.955	51.644	-0.044	-0.044	0.000	0.000	0.000	0.000
340	A	1549	ALA	0	-0.092	-0.056	48.973	-0.002	-0.002	0.000	0.000	0.000	0.000
341	A	1550	PHE	0	0.003	-0.004	45.816	0.000	0.000	0.000	0.000	0.000	0.000
342	A	1551	PHE	0	-0.013	-0.003	51.915	0.000	0.000	0.000	0.000	0.000	0.000
343	A	1552	THR	0	0.025	0.042	55.059	-0.001	-0.001	0.000	0.000	0.000	0.000
344	A	1553	GLU	-1	-0.867	-0.952	57.373	0.032	0.032	0.000	0.000	0.000	0.000
345	A	1554	GLU	-1	-0.993	-1.020	56.892	0.034	0.034	0.000	0.000	0.000	0.000
346	A	1555	TYR	0	-0.021	-0.005	49.279	0.001	0.001	0.000	0.000	0.000	0.000
347	A	1556	VAL	0	-0.008	-0.014	54.712	0.001	0.001	0.000	0.000	0.000	0.000
348	A	1557	ARG	1	0.910	0.979	56.683	-0.032	-0.032	0.000	0.000	0.000	0.000
349	A	1558	ASP	-1	-0.949	-0.981	54.344	0.035	0.035	0.000	0.000	0.000	0.000
350	A	1559	HIS	1	0.838	0.932	50.256	-0.045	-0.045	0.000	0.000	0.000	0.000
351	A	1560	PRO	0	0.020	0.030	53.702	0.001	0.001	0.000	0.000	0.000	0.000
352	A	1561	GLU	-1	-0.837	-0.943	50.199	0.046	0.046	0.000	0.000	0.000	0.000
353	A	1562	ASP	-1	-0.917	-0.960	49.255	0.056	0.056	0.000	0.000	0.000	0.000
354	A	1563	GLN	0	-0.039	-0.026	51.352	0.000	0.000	0.000	0.000	0.000	0.000
355	A	1564	ASP	-1	-0.908	-0.958	51.420	0.055	0.055	0.000	0.000	0.000	0.000
356	A	1565	LYS	1	0.917	0.956	45.783	-0.061	-0.061	0.000	0.000	0.000	0.000
357	A	1566	LEU	0	-0.005	-0.004	49.950	0.002	0.002	0.000	0.000	0.000	0.000
358	A	1567	THR	0	0.013	0.010	52.065	0.001	0.001	0.000	0.000	0.000	0.000
359	A	1568	HIS	0	0.081	0.054	45.461	-0.001	-0.001	0.000	0.000	0.000	0.000
360	A	1569	LEU	0	-0.005	-0.008	47.510	0.002	0.002	0.000	0.000	0.000	0.000
361	A	1570	LYS	1	0.851	0.926	49.581	-0.046	-0.046	0.000	0.000	0.000	0.000
362	A	1571	ASP	-1	-0.839	-0.914	51.222	0.058	0.058	0.000	0.000	0.000	0.000
363	A	1572	LEU	0	-0.029	-0.014	45.439	0.001	0.001	0.000	0.000	0.000	0.000
364	A	1573	ILE	0	0.013	0.017	49.407	0.002	0.002	0.000	0.000	0.000	0.000
365	A	1574	ALA	0	0.018	0.008	51.170	0.000	0.000	0.000	0.000	0.000	0.000
366	A	1575	TRP	0	-0.039	-0.017	47.621	-0.001	-0.001	0.000	0.000	0.000	0.000
367	A	1576	GLN	0	0.018	0.006	46.599	0.000	0.000	0.000	0.000	0.000	0.000
368	A	1577	ILE	0	0.014	0.014	49.672	0.001	0.001	0.000	0.000	0.000	0.000
369	A	1578	PRO	0	-0.045	-0.029	52.497	0.000	0.000	0.000	0.000	0.000	0.000
370	A	1579	PHE	0	-0.005	-0.021	46.714	0.001	0.001	0.000	0.000	0.000	0.000
371	A	1580	LEU	0	0.006	0.011	47.621	0.001	0.001	0.000	0.000	0.000	0.000
372	A	1581	GLY	0	0.038	0.025	50.294	0.000	0.000	0.000	0.000	0.000	0.000
373	A	1582	ALA	0	-0.061	-0.023	50.565	0.000	0.000	0.000	0.000	0.000	0.000
374	A	1583	GLY	0	0.057	0.009	48.571	0.000	0.000	0.000	0.000	0.000	0.000
375	A	1584	ILE	0	0.013	0.001	49.364	0.000	0.000	0.000	0.000	0.000	0.000
376	A	1585	LYS	1	0.913	0.959	51.969	-0.066	-0.066	0.000	0.000	0.000	0.000
377	A	1586	ILE	0	-0.051	-0.026	48.260	-0.001	-0.001	0.000	0.000	0.000	0.000
378	A	1587	HIS	0	0.012	-0.001	47.577	0.003	0.003	0.000	0.000	0.000	0.000
379	A	1588	GLU	-1	-0.956	-0.985	50.531	0.052	0.052	0.000	0.000	0.000	0.000
380	A	1589	LYS	1	0.900	0.955	53.283	-0.062	-0.062	0.000	0.000	0.000	0.000
381	A	1590	ARG	1	0.819	0.933	46.251	-0.081	-0.081	0.000	0.000	0.000	0.000
382	A	1591	VAL	0	0.001	0.014	49.679	0.003	0.003	0.000	0.000	0.000	0.000
383	A	1592	SER	0	-0.028	-0.030	49.826	-0.001	-0.001	0.000	0.000	0.000	0.000
384	A	1593	ASP	-1	-0.793	-0.924	51.664	0.049	0.049	0.000	0.000	0.000	0.000
385	A	1594	ASN	0	-0.049	0.001	49.785	-0.001	-0.001	0.000	0.000	0.000	0.000
386	A	1595	LEU	0	-0.014	-0.015	47.591	-0.001	-0.001	0.000	0.000	0.000	0.000
387	A	1596	ARG	1	0.941	0.987	52.138	-0.049	-0.049	0.000	0.000	0.000	0.000
388	A	1597	PRO	0	0.037	0.026	54.799	0.000	0.000	0.000	0.000	0.000	0.000
389	A	1598	PHE	0	-0.023	-0.017	47.539	0.000	0.000	0.000	0.000	0.000	0.000
390	A	1599	HIS	0	-0.001	0.003	52.512	0.003	0.003	0.000	0.000	0.000	0.000
391	A	1600	ASP	-1	-0.845	-0.934	53.373	0.047	0.047	0.000	0.000	0.000	0.000
392	A	1601	ARG	1	0.917	0.956	53.413	-0.050	-0.050	0.000	0.000	0.000	0.000
393	A	1602	MET	0	-0.006	-0.003	49.144	0.000	0.000	0.000	0.000	0.000	0.000
394	A	1603	GLU	-1	-0.802	-0.898	53.429	0.052	0.052	0.000	0.000	0.000	0.000
395	A	1604	GLU	-1	-0.954	-0.960	56.179	0.041	0.041	0.000	0.000	0.000	0.000
396	A	1605	CYS	0	-0.050	-0.013	53.266	-0.002	-0.002	0.000	0.000	0.000	0.000
397	A	1606	PHE	0	0.040	0.039	53.405	-0.001	-0.001	0.000	0.000	0.000	0.000
398	A	1607	LYS	1	0.855	0.913	55.286	-0.049	-0.049	0.000	0.000	0.000	0.000
399	A	1608	ASN	0	-0.027	-0.038	58.288	-0.002	-0.002	0.000	0.000	0.000	0.000
400	A	1609	LEU	0	0.002	-0.006	51.983	-0.001	-0.001	0.000	0.000	0.000	0.000
401	A	1610	LYS	1	0.888	0.956	56.628	-0.053	-0.053	0.000	0.000	0.000	0.000
402	A	1611	MET	0	-0.004	0.005	57.913	-0.001	-0.001	0.000	0.000	0.000	0.000
403	A	1612	LYS	1	0.847	0.918	58.388	-0.043	-0.043	0.000	0.000	0.000	0.000
404	A	1613	VAL	0	0.038	0.016	54.373	-0.001	-0.001	0.000	0.000	0.000	0.000
405	A	1614	GLU	-1	-0.903	-0.961	57.760	0.048	0.048	0.000	0.000	0.000	0.000
406	A	1615	LYS	1	0.850	0.967	60.046	-0.037	-0.037	0.000	0.000	0.000	0.000
407	A	1616	GLU	-1	-0.854	-0.934	58.202	0.042	0.042	0.000	0.000	0.000	0.000
408	A	1617	TYR	0	-0.028	0.006	55.326	0.000	0.000	0.000	0.000	0.000	0.000
409	A	1618	GLY	0	0.019	-0.012	58.527	0.001	0.001	0.000	0.000	0.000	0.000
410	A	1619	VAL	0	0.045	0.009	58.325	0.001	0.001	0.000	0.000	0.000	0.000
411	A	1620	ARG	1	0.802	0.901	53.834	-0.055	-0.055	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(A:1196:SER)