FMO DATABASE

FMODB ID: GY651

Calculation Name: 4P1T-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 4P1T

Chain ID: A

ChEMBL ID:

UniProt ID: Q6UDW7

Base Structure: X-ray

Registration Date: 2023-09-26

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

DOI:

IFIE MAP

IFIE Diagram

Modeling method

Optimization	MOE:Amber10:EHT
Restraint	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	646
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-15810610.105337
FMO2-HF: Nuclear repulsion	15535908.790582
FMO2-HF: Total energy	-274701.314756
FMO2-MP2: Total energy	-275485.473102

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:1218:SER)

Summations of interaction energy for fragment #1(A:1218: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.
-2.139	-0.038999999999999	-0.023	-0.983	-1.094	-0.001

Interaction energy analysis for fragmet #1(A:1218:SER)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : -0.016 / 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	1220	ASP	-1	-0.871	-0.914	3.854	-0.653	1.447	-0.023	-0.983	-1.094	-0.001
4	A	1221	LEU	0	-0.027	-0.019	6.663	-0.189	-0.189	0.000	0.000	0.000	0.000
5	A	1222	GLN	0	0.058	0.030	9.119	0.199	0.199	0.000	0.000	0.000	0.000
6	A	1223	ALA	0	0.010	0.008	9.316	-0.051	-0.051	0.000	0.000	0.000	0.000
7	A	1224	THR	0	0.027	0.006	11.158	-0.046	-0.046	0.000	0.000	0.000	0.000
8	A	1225	ASN	0	-0.042	-0.019	14.064	-0.096	-0.096	0.000	0.000	0.000	0.000
9	A	1226	TYR	0	0.044	0.013	16.687	-0.010	-0.010	0.000	0.000	0.000	0.000
10	A	1227	ILE	0	0.014	0.021	17.075	-0.017	-0.017	0.000	0.000	0.000	0.000
11	A	1228	ARG	1	0.860	0.905	20.778	-0.093	-0.093	0.000	0.000	0.000	0.000
12	A	1229	GLY	0	-0.008	-0.008	24.616	-0.004	-0.004	0.000	0.000	0.000	0.000
13	A	1230	CYS	0	-0.126	-0.015	20.814	-0.015	-0.015	0.000	0.000	0.000	0.000
14	A	1231	GLN	0	0.034	0.011	22.631	0.019	0.019	0.000	0.000	0.000	0.000
15	A	1232	SER	0	-0.011	-0.033	24.105	0.001	0.001	0.000	0.000	0.000	0.000
16	A	1233	LYS	1	0.750	0.871	22.571	-0.140	-0.140	0.000	0.000	0.000	0.000
17	A	1234	THR	0	-0.042	-0.060	26.746	-0.002	-0.002	0.000	0.000	0.000	0.000
18	A	1235	TYR	0	0.024	0.021	25.722	-0.002	-0.002	0.000	0.000	0.000	0.000
19	A	1236	ASP	-1	-0.738	-0.859	30.577	0.064	0.064	0.000	0.000	0.000	0.000
20	A	1237	GLY	0	-0.030	-0.015	32.361	-0.003	-0.003	0.000	0.000	0.000	0.000
21	A	1238	LYS	1	0.826	0.920	30.966	-0.059	-0.059	0.000	0.000	0.000	0.000
22	A	1239	ILE	0	0.032	0.037	25.458	-0.005	-0.005	0.000	0.000	0.000	0.000
23	A	1240	PHE	0	0.013	0.025	30.052	-0.002	-0.002	0.000	0.000	0.000	0.000
24	A	1241	PRO	0	0.014	0.000	31.168	0.004	0.004	0.000	0.000	0.000	0.000
25	A	1242	GLY	0	-0.020	-0.001	33.017	-0.004	-0.004	0.000	0.000	0.000	0.000
26	A	1243	LYS	1	1.001	0.981	34.390	-0.048	-0.048	0.000	0.000	0.000	0.000
27	A	1244	GLY	0	0.019	0.012	36.718	0.000	0.000	0.000	0.000	0.000	0.000
28	A	1245	GLY	0	-0.022	-0.021	34.757	0.004	0.004	0.000	0.000	0.000	0.000
29	A	1246	GLU	-1	-0.842	-0.906	34.206	0.058	0.058	0.000	0.000	0.000	0.000
30	A	1247	LYS	1	0.824	0.926	30.850	-0.074	-0.074	0.000	0.000	0.000	0.000
31	A	1248	GLN	0	0.005	-0.012	35.186	0.000	0.000	0.000	0.000	0.000	0.000
32	A	1249	TRP	0	0.059	0.021	32.200	0.002	0.002	0.000	0.000	0.000	0.000
33	A	1250	ILE	0	-0.026	0.005	36.459	-0.003	-0.003	0.000	0.000	0.000	0.000
34	A	1251	CYS	0	-0.036	0.007	36.556	-0.002	-0.002	0.000	0.000	0.000	0.000
35	A	1252	LYS	1	0.900	0.950	40.556	-0.036	-0.036	0.000	0.000	0.000	0.000
36	A	1253	ASP	-1	-0.750	-0.873	41.707	0.037	0.037	0.000	0.000	0.000	0.000
37	A	1254	THR	0	-0.004	-0.010	40.524	0.000	0.000	0.000	0.000	0.000	0.000
38	A	1255	ILE	0	0.017	0.011	41.298	0.001	0.001	0.000	0.000	0.000	0.000
39	A	1256	ILE	0	-0.033	-0.012	36.968	0.000	0.000	0.000	0.000	0.000	0.000
40	A	1257	HIS	1	0.852	0.903	34.464	-0.052	-0.052	0.000	0.000	0.000	0.000
41	A	1258	GLY	0	0.059	0.057	37.373	0.001	0.001	0.000	0.000	0.000	0.000
42	A	1259	ASP	-1	-0.799	-0.878	40.060	0.038	0.038	0.000	0.000	0.000	0.000
43	A	1260	THR	0	-0.020	-0.039	38.309	0.001	0.001	0.000	0.000	0.000	0.000
44	A	1261	ASN	0	-0.053	-0.037	38.700	-0.001	-0.001	0.000	0.000	0.000	0.000
45	A	1262	GLY	0	0.011	-0.001	40.686	-0.001	-0.001	0.000	0.000	0.000	0.000
46	A	1263	ALA	0	0.013	0.011	35.819	0.000	0.000	0.000	0.000	0.000	0.000
47	A	1265	ILE	0	0.015	0.014	32.213	0.002	0.002	0.000	0.000	0.000	0.000
48	A	1266	PRO	0	0.047	0.027	29.835	-0.002	-0.002	0.000	0.000	0.000	0.000
49	A	1267	PRO	0	-0.024	-0.009	31.468	0.003	0.003	0.000	0.000	0.000	0.000
50	A	1268	ARG	1	0.787	0.859	23.802	-0.098	-0.098	0.000	0.000	0.000	0.000
51	A	1269	THR	0	0.024	-0.014	27.118	0.005	0.005	0.000	0.000	0.000	0.000
52	A	1270	GLN	0	-0.099	-0.046	28.229	0.001	0.001	0.000	0.000	0.000	0.000
53	A	1271	ASN	0	0.010	0.000	27.060	-0.006	-0.006	0.000	0.000	0.000	0.000
54	A	1272	LEU	0	0.037	0.051	22.254	0.007	0.007	0.000	0.000	0.000	0.000
55	A	1274	VAL	0	0.055	0.022	22.292	0.003	0.003	0.000	0.000	0.000	0.000
56	A	1275	GLY	0	0.060	0.020	23.395	-0.006	-0.006	0.000	0.000	0.000	0.000
57	A	1276	GLU	-1	-0.818	-0.915	18.906	0.133	0.133	0.000	0.000	0.000	0.000
58	A	1277	LEU	0	0.004	0.011	21.015	-0.010	-0.010	0.000	0.000	0.000	0.000
59	A	1278	TRP	0	-0.034	-0.016	24.763	-0.009	-0.009	0.000	0.000	0.000	0.000
60	A	1279	ASP	-1	-0.796	-0.853	27.595	0.074	0.074	0.000	0.000	0.000	0.000
61	A	1280	LYS	1	0.853	0.917	29.972	-0.079	-0.079	0.000	0.000	0.000	0.000
62	A	1281	SER	0	-0.034	-0.023	32.878	-0.005	-0.005	0.000	0.000	0.000	0.000
63	A	1282	TYR	0	0.012	-0.001	35.548	-0.002	-0.002	0.000	0.000	0.000	0.000
64	A	1283	GLY	0	0.059	0.028	38.135	-0.001	-0.001	0.000	0.000	0.000	0.000
65	A	1284	GLY	0	-0.025	-0.003	34.339	0.000	0.000	0.000	0.000	0.000	0.000
66	A	1285	ARG	1	0.848	0.916	32.679	-0.055	-0.055	0.000	0.000	0.000	0.000
67	A	1286	SER	0	0.007	-0.016	29.651	0.004	0.004	0.000	0.000	0.000	0.000
68	A	1287	ASN	0	-0.045	-0.040	26.387	-0.008	-0.008	0.000	0.000	0.000	0.000
69	A	1288	ILE	0	-0.033	0.002	23.525	-0.003	-0.003	0.000	0.000	0.000	0.000
70	A	1289	LYS	1	0.856	0.917	27.557	-0.042	-0.042	0.000	0.000	0.000	0.000
71	A	1290	GLN	0	0.035	0.005	29.513	-0.001	-0.001	0.000	0.000	0.000	0.000
72	A	1291	ASP	-1	-0.772	-0.846	23.524	0.056	0.056	0.000	0.000	0.000	0.000
73	A	1292	THR	0	0.025	0.005	22.570	-0.004	-0.004	0.000	0.000	0.000	0.000
74	A	1293	LYS	1	0.971	0.954	19.561	0.020	0.020	0.000	0.000	0.000	0.000
75	A	1294	GLU	-1	-0.805	-0.873	16.501	-0.005	-0.005	0.000	0.000	0.000	0.000
76	A	1295	LEU	0	0.000	0.010	17.646	0.008	0.008	0.000	0.000	0.000	0.000
77	A	1296	LEU	0	0.013	0.008	19.591	0.014	0.014	0.000	0.000	0.000	0.000
78	A	1297	LYS	1	0.874	0.937	13.171	0.000	0.000	0.000	0.000	0.000	0.000
79	A	1298	GLU	-1	-0.932	-0.965	13.850	0.090	0.090	0.000	0.000	0.000	0.000
80	A	1299	LYS	1	0.861	0.912	15.825	-0.044	-0.044	0.000	0.000	0.000	0.000
81	A	1300	ILE	0	-0.012	-0.007	17.623	0.013	0.013	0.000	0.000	0.000	0.000
82	A	1301	LYS	1	0.851	0.915	8.698	-0.173	-0.173	0.000	0.000	0.000	0.000
83	A	1302	ASN	0	-0.036	-0.029	13.784	0.075	0.075	0.000	0.000	0.000	0.000
84	A	1303	ALA	0	-0.044	-0.019	15.251	0.017	0.017	0.000	0.000	0.000	0.000
85	A	1304	ILE	0	0.023	0.011	14.168	0.003	0.003	0.000	0.000	0.000	0.000
86	A	1305	HIS	0	0.029	0.022	9.870	0.093	0.093	0.000	0.000	0.000	0.000
87	A	1306	LYS	1	0.867	0.948	13.494	-0.245	-0.245	0.000	0.000	0.000	0.000
88	A	1307	GLU	-1	-0.752	-0.874	16.502	0.130	0.130	0.000	0.000	0.000	0.000
89	A	1308	THR	0	-0.036	-0.042	13.725	0.000	0.000	0.000	0.000	0.000	0.000
90	A	1309	GLU	-1	-0.787	-0.887	13.964	0.360	0.360	0.000	0.000	0.000	0.000
91	A	1310	LEU	0	-0.026	-0.015	16.243	-0.021	-0.021	0.000	0.000	0.000	0.000
92	A	1311	LEU	0	-0.023	-0.015	19.343	-0.018	-0.018	0.000	0.000	0.000	0.000
93	A	1312	TYR	0	-0.020	-0.025	16.779	-0.006	-0.006	0.000	0.000	0.000	0.000
94	A	1313	GLU	-1	-0.859	-0.907	18.901	0.133	0.133	0.000	0.000	0.000	0.000
95	A	1314	TYR	0	-0.041	-0.047	21.225	-0.014	-0.014	0.000	0.000	0.000	0.000
96	A	1315	HIS	0	-0.060	-0.049	22.137	-0.018	-0.018	0.000	0.000	0.000	0.000
97	A	1316	ASP	-1	-0.796	-0.880	20.913	0.125	0.125	0.000	0.000	0.000	0.000
98	A	1317	THR	0	-0.046	-0.030	22.932	-0.005	-0.005	0.000	0.000	0.000	0.000
99	A	1318	GLY	0	-0.032	-0.003	26.145	-0.007	-0.007	0.000	0.000	0.000	0.000
100	A	1319	THR	0	-0.011	-0.008	27.419	-0.007	-0.007	0.000	0.000	0.000	0.000
101	A	1320	ALA	0	0.017	0.026	26.527	-0.006	-0.006	0.000	0.000	0.000	0.000
102	A	1321	ILE	0	-0.039	-0.025	28.557	-0.003	-0.003	0.000	0.000	0.000	0.000
103	A	1322	ILE	0	-0.009	0.007	27.040	-0.003	-0.003	0.000	0.000	0.000	0.000
104	A	1323	SER	0	0.013	-0.008	26.364	-0.001	-0.001	0.000	0.000	0.000	0.000
105	A	1324	LYS	1	0.837	0.926	28.271	-0.067	-0.067	0.000	0.000	0.000	0.000
106	A	1325	ASN	0	0.046	0.020	31.911	0.000	0.000	0.000	0.000	0.000	0.000
107	A	1326	ASP	-1	-0.866	-0.937	33.484	0.038	0.038	0.000	0.000	0.000	0.000
108	A	1327	LYS	1	0.873	0.909	36.810	-0.026	-0.026	0.000	0.000	0.000	0.000
109	A	1328	LYS	1	0.880	0.933	33.997	-0.029	-0.029	0.000	0.000	0.000	0.000
110	A	1329	GLY	0	0.031	0.018	34.808	0.002	0.002	0.000	0.000	0.000	0.000
111	A	1330	GLN	0	0.018	0.001	29.617	-0.004	-0.004	0.000	0.000	0.000	0.000
112	A	1331	LYS	1	0.951	0.971	30.753	-0.034	-0.034	0.000	0.000	0.000	0.000
113	A	1332	GLY	0	-0.007	-0.031	30.548	-0.004	-0.004	0.000	0.000	0.000	0.000
114	A	1333	LYN	0	-0.009	0.050	27.845	-0.003	-0.003	0.000	0.000	0.000	0.000
115	A	1334	ASN	0	-0.074	-0.053	22.243	0.014	0.014	0.000	0.000	0.000	0.000
116	A	1335	ASP	-1	-0.852	-0.910	21.116	0.057	0.057	0.000	0.000	0.000	0.000
117	A	1336	PRO	0	-0.015	-0.009	21.571	-0.002	-0.002	0.000	0.000	0.000	0.000
118	A	1337	ASN	0	-0.022	-0.003	16.113	-0.008	-0.008	0.000	0.000	0.000	0.000
119	A	1338	GLY	0	0.030	0.002	18.062	0.004	0.004	0.000	0.000	0.000	0.000
120	A	1339	LEU	0	-0.032	-0.023	15.435	0.022	0.022	0.000	0.000	0.000	0.000
121	A	1340	PRO	0	0.030	0.034	19.498	-0.010	-0.010	0.000	0.000	0.000	0.000
122	A	1341	LYS	1	0.881	0.921	22.561	-0.048	-0.048	0.000	0.000	0.000	0.000
123	A	1342	GLY	0	0.061	0.011	24.173	0.001	0.001	0.000	0.000	0.000	0.000
124	A	1343	PHE	0	0.017	0.018	15.289	0.006	0.006	0.000	0.000	0.000	0.000
125	A	1344	CYS	0	0.001	0.003	14.233	0.011	0.011	0.000	0.000	0.000	0.000
126	A	1345	HIS	0	-0.036	-0.021	19.651	0.006	0.006	0.000	0.000	0.000	0.000
127	A	1346	ALA	0	0.023	0.013	22.324	0.001	0.001	0.000	0.000	0.000	0.000
128	A	1347	VAL	0	0.011	0.005	16.092	0.004	0.004	0.000	0.000	0.000	0.000
129	A	1348	GLN	0	-0.019	-0.022	18.725	-0.001	-0.001	0.000	0.000	0.000	0.000
130	A	1349	ARG	1	0.795	0.885	20.479	-0.077	-0.077	0.000	0.000	0.000	0.000
131	A	1350	SER	0	0.019	-0.001	20.661	-0.009	-0.009	0.000	0.000	0.000	0.000
132	A	1351	PHE	0	-0.032	-0.001	15.539	-0.001	-0.001	0.000	0.000	0.000	0.000
133	A	1352	ILE	0	-0.002	0.004	20.121	-0.004	-0.004	0.000	0.000	0.000	0.000
134	A	1353	ASP	-1	-0.709	-0.807	23.402	0.081	0.081	0.000	0.000	0.000	0.000
135	A	1354	TYR	0	-0.048	-0.066	19.415	-0.001	-0.001	0.000	0.000	0.000	0.000
136	A	1355	LYS	1	0.876	0.935	21.976	-0.088	-0.088	0.000	0.000	0.000	0.000
137	A	1356	ASN	0	-0.009	-0.026	23.203	-0.005	-0.005	0.000	0.000	0.000	0.000
138	A	1357	MET	0	-0.064	-0.003	25.000	-0.004	-0.004	0.000	0.000	0.000	0.000
139	A	1358	ILE	0	-0.052	-0.023	22.073	-0.004	-0.004	0.000	0.000	0.000	0.000
140	A	1359	LEU	0	-0.042	0.000	24.781	-0.007	-0.007	0.000	0.000	0.000	0.000
141	A	1360	GLY	0	0.000	0.006	27.897	-0.001	-0.001	0.000	0.000	0.000	0.000
142	A	1361	THR	0	-0.020	-0.026	29.966	-0.001	-0.001	0.000	0.000	0.000	0.000
143	A	1362	SER	0	-0.047	-0.035	32.832	0.001	0.001	0.000	0.000	0.000	0.000
144	A	1363	VAL	0	0.004	0.004	33.885	0.000	0.000	0.000	0.000	0.000	0.000
145	A	1364	ASN	0	0.003	0.009	33.102	0.005	0.005	0.000	0.000	0.000	0.000
146	A	1365	ILE	0	0.041	0.012	27.295	-0.002	-0.002	0.000	0.000	0.000	0.000
147	A	1366	TYR	0	-0.067	-0.057	27.128	-0.002	-0.002	0.000	0.000	0.000	0.000
148	A	1367	GLU	-1	-0.742	-0.884	32.725	0.062	0.062	0.000	0.000	0.000	0.000
149	A	1368	HIS	0	-0.053	-0.014	34.720	-0.005	-0.005	0.000	0.000	0.000	0.000
150	A	1369	ILE	0	-0.004	-0.008	27.950	-0.001	-0.001	0.000	0.000	0.000	0.000
151	A	1370	GLY	0	0.109	0.063	31.821	0.001	0.001	0.000	0.000	0.000	0.000
152	A	1371	LYS	1	0.831	0.911	33.904	-0.046	-0.046	0.000	0.000	0.000	0.000
153	A	1372	LEU	0	-0.018	-0.021	26.225	-0.002	-0.002	0.000	0.000	0.000	0.000
154	A	1373	GLN	0	0.006	0.009	29.555	-0.001	-0.001	0.000	0.000	0.000	0.000
155	A	1374	GLU	-1	-0.826	-0.884	30.727	0.037	0.037	0.000	0.000	0.000	0.000
156	A	1375	ASP	-1	-0.753	-0.847	30.660	0.040	0.040	0.000	0.000	0.000	0.000
157	A	1376	ILE	0	0.023	0.003	25.110	-0.001	-0.001	0.000	0.000	0.000	0.000
158	A	1377	LYS	1	0.872	0.930	27.549	-0.042	-0.042	0.000	0.000	0.000	0.000
159	A	1378	LYS	1	0.774	0.894	29.196	-0.041	-0.041	0.000	0.000	0.000	0.000
160	A	1379	ILE	0	-0.117	-0.064	24.234	-0.004	-0.004	0.000	0.000	0.000	0.000
161	A	1380	ILE	0	-0.035	-0.017	23.419	-0.003	-0.003	0.000	0.000	0.000	0.000
162	A	1381	GLU	-1	-0.785	-0.905	26.444	0.028	0.028	0.000	0.000	0.000	0.000
163	A	1382	LYS	1	0.808	0.925	27.198	-0.026	-0.026	0.000	0.000	0.000	0.000
164	A	1383	GLY	0	-0.016	-0.014	25.565	-0.003	-0.003	0.000	0.000	0.000	0.000
165	A	1384	THR	0	-0.043	-0.032	22.939	-0.003	-0.003	0.000	0.000	0.000	0.000
166	A	1385	PRO	0	-0.007	0.027	24.485	-0.002	-0.002	0.000	0.000	0.000	0.000
167	A	1399	GLU	-1	-0.848	-0.901	30.868	0.030	0.030	0.000	0.000	0.000	0.000
168	A	1400	ASN	0	-0.029	-0.043	27.895	0.003	0.003	0.000	0.000	0.000	0.000
169	A	1401	VAL	0	0.042	0.014	25.915	0.003	0.003	0.000	0.000	0.000	0.000
170	A	1402	ASN	0	0.002	-0.028	25.139	0.010	0.010	0.000	0.000	0.000	0.000
171	A	1403	ALA	0	-0.006	0.002	24.707	0.006	0.006	0.000	0.000	0.000	0.000
172	A	1404	TRP	0	0.022	0.003	19.447	0.009	0.009	0.000	0.000	0.000	0.000
173	A	1405	TRP	0	-0.011	-0.028	18.994	0.008	0.008	0.000	0.000	0.000	0.000
174	A	1406	LYS	1	0.947	0.973	19.701	-0.060	-0.060	0.000	0.000	0.000	0.000
175	A	1407	GLY	0	-0.032	-0.008	18.763	0.007	0.007	0.000	0.000	0.000	0.000
176	A	1408	ILE	0	-0.026	-0.014	15.968	0.017	0.017	0.000	0.000	0.000	0.000
177	A	1409	GLU	-1	-0.864	-0.916	15.106	0.159	0.159	0.000	0.000	0.000	0.000
178	A	1410	ARG	1	0.877	0.892	9.240	-0.460	-0.460	0.000	0.000	0.000	0.000
179	A	1411	GLU	-1	-0.784	-0.879	10.154	0.170	0.170	0.000	0.000	0.000	0.000
180	A	1412	MET	0	-0.046	-0.015	10.823	0.051	0.051	0.000	0.000	0.000	0.000
181	A	1413	TRP	0	-0.013	-0.020	12.181	0.020	0.020	0.000	0.000	0.000	0.000
182	A	1414	ASP	-1	-0.770	-0.850	7.030	0.882	0.882	0.000	0.000	0.000	0.000
183	A	1415	ALA	0	-0.024	-0.006	7.923	0.116	0.116	0.000	0.000	0.000	0.000
184	A	1416	VAL	0	-0.024	-0.005	9.882	0.024	0.024	0.000	0.000	0.000	0.000
185	A	1417	ARG	1	0.765	0.859	7.189	-0.533	-0.533	0.000	0.000	0.000	0.000
186	A	1419	ALA	0	0.003	0.003	6.305	0.124	0.124	0.000	0.000	0.000	0.000
187	A	1420	ILE	0	0.014	0.010	9.472	-0.012	-0.012	0.000	0.000	0.000	0.000
188	A	1421	THR	0	-0.011	-0.013	5.225	0.033	0.033	0.000	0.000	0.000	0.000
189	A	1422	LYS	1	0.710	0.837	7.906	-0.439	-0.439	0.000	0.000	0.000	0.000
190	A	1423	ILE	0	-0.003	0.014	9.647	-0.041	-0.041	0.000	0.000	0.000	0.000
191	A	1424	ASN	0	-0.043	-0.002	10.298	0.005	0.005	0.000	0.000	0.000	0.000
192	A	1425	LYS	1	0.949	0.959	5.930	-1.363	-1.363	0.000	0.000	0.000	0.000
193	A	1426	LYS	1	0.820	0.939	12.356	-0.202	-0.202	0.000	0.000	0.000	0.000
194	A	1427	ASN	0	-0.044	-0.027	15.262	-0.050	-0.050	0.000	0.000	0.000	0.000
195	A	1428	ASN	0	0.018	0.016	16.798	-0.007	-0.007	0.000	0.000	0.000	0.000
196	A	1429	ASN	0	-0.024	-0.028	18.060	-0.018	-0.018	0.000	0.000	0.000	0.000
197	A	1430	GLY	0	0.032	0.031	17.663	-0.017	-0.017	0.000	0.000	0.000	0.000
198	A	1431	ILE	0	-0.036	-0.024	12.759	0.022	0.022	0.000	0.000	0.000	0.000
199	A	1432	PHE	0	-0.020	0.001	11.550	0.016	0.016	0.000	0.000	0.000	0.000
200	A	1433	ASN	0	-0.050	-0.042	8.803	-0.035	-0.035	0.000	0.000	0.000	0.000
201	A	1434	GLY	0	0.050	0.026	7.552	-0.142	-0.142	0.000	0.000	0.000	0.000
202	A	1435	ASP	-1	-0.779	-0.875	9.485	0.198	0.198	0.000	0.000	0.000	0.000
203	A	1436	GLU	-1	-0.758	-0.866	11.712	-0.002	-0.002	0.000	0.000	0.000	0.000
204	A	1438	GLY	0	0.012	0.003	14.868	0.002	0.002	0.000	0.000	0.000	0.000
205	A	1439	VAL	0	0.027	0.019	11.690	0.029	0.029	0.000	0.000	0.000	0.000
206	A	1440	SER	0	-0.062	-0.037	12.539	0.070	0.070	0.000	0.000	0.000	0.000
207	A	1441	PRO	0	0.004	0.010	15.032	-0.008	-0.008	0.000	0.000	0.000	0.000
208	A	1442	PRO	0	-0.029	-0.017	17.297	-0.015	-0.015	0.000	0.000	0.000	0.000
209	A	1443	THR	0	0.014	0.000	20.915	-0.004	-0.004	0.000	0.000	0.000	0.000
210	A	1444	GLY	0	0.071	0.025	23.546	0.000	0.000	0.000	0.000	0.000	0.000
211	A	1445	ASN	0	-0.060	-0.036	26.313	-0.007	-0.007	0.000	0.000	0.000	0.000
212	A	1446	ASP	-1	-0.820	-0.893	25.015	0.062	0.062	0.000	0.000	0.000	0.000
213	A	1447	GLU	-1	-0.853	-0.907	24.973	0.072	0.072	0.000	0.000	0.000	0.000
214	A	1448	ASP	-1	-0.705	-0.779	26.190	0.047	0.047	0.000	0.000	0.000	0.000
215	A	1449	GLN	0	0.107	0.043	28.652	0.002	0.002	0.000	0.000	0.000	0.000
216	A	1450	SER	0	-0.120	-0.089	29.536	-0.002	-0.002	0.000	0.000	0.000	0.000
217	A	1451	VAL	0	-0.005	-0.008	30.704	-0.004	-0.004	0.000	0.000	0.000	0.000
218	A	1452	SER	0	-0.005	0.016	26.402	0.000	0.000	0.000	0.000	0.000	0.000
219	A	1453	TRP	0	-0.019	-0.053	28.729	-0.003	-0.003	0.000	0.000	0.000	0.000
220	A	1454	PHE	0	0.029	0.024	31.196	-0.001	-0.001	0.000	0.000	0.000	0.000
221	A	1455	LYS	1	0.864	0.920	27.180	-0.060	-0.060	0.000	0.000	0.000	0.000
222	A	1456	GLU	-1	-0.838	-0.888	27.299	0.083	0.083	0.000	0.000	0.000	0.000
223	A	1457	TRP	0	-0.039	-0.039	30.470	-0.002	-0.002	0.000	0.000	0.000	0.000
224	A	1458	GLY	0	0.035	-0.002	34.129	-0.002	-0.002	0.000	0.000	0.000	0.000
225	A	1459	GLU	-1	-0.763	-0.857	28.097	0.064	0.064	0.000	0.000	0.000	0.000
226	A	1460	GLN	0	-0.017	-0.010	32.041	-0.004	-0.004	0.000	0.000	0.000	0.000
227	A	1461	PHE	0	0.027	0.017	33.518	-0.002	-0.002	0.000	0.000	0.000	0.000
228	A	1462	CYS	0	-0.090	-0.055	35.512	-0.003	-0.003	0.000	0.000	0.000	0.000
229	A	1463	ILE	0	0.036	0.030	30.990	-0.002	-0.002	0.000	0.000	0.000	0.000
230	A	1464	GLU	-1	-0.866	-0.918	35.469	0.043	0.043	0.000	0.000	0.000	0.000
231	A	1465	ARG	1	0.764	0.873	38.063	-0.030	-0.030	0.000	0.000	0.000	0.000
232	A	1466	LEU	0	0.064	0.038	36.942	-0.002	-0.002	0.000	0.000	0.000	0.000
233	A	1467	ARG	1	0.830	0.928	35.437	-0.044	-0.044	0.000	0.000	0.000	0.000
234	A	1468	TYR	0	-0.037	-0.025	40.175	-0.002	-0.002	0.000	0.000	0.000	0.000
235	A	1469	GLU	-1	-0.779	-0.845	43.155	0.023	0.023	0.000	0.000	0.000	0.000
236	A	1470	GLN	0	-0.035	-0.023	41.445	0.000	0.000	0.000	0.000	0.000	0.000
237	A	1471	ASN	0	-0.083	-0.062	43.047	-0.002	-0.002	0.000	0.000	0.000	0.000
238	A	1472	ILE	0	0.001	-0.004	45.587	-0.001	-0.001	0.000	0.000	0.000	0.000
239	A	1473	ARG	1	0.744	0.838	45.607	-0.022	-0.022	0.000	0.000	0.000	0.000
240	A	1474	GLU	-1	-0.768	-0.873	44.749	0.024	0.024	0.000	0.000	0.000	0.000
241	A	1475	ALA	0	-0.079	-0.031	48.740	0.000	0.000	0.000	0.000	0.000	0.000
242	A	1476	CYS	0	-0.060	-0.005	51.708	0.000	0.000	0.000	0.000	0.000	0.000
243	A	1477	THR	0	0.032	0.019	51.105	-0.001	-0.001	0.000	0.000	0.000	0.000
244	A	1478	ILE	0	-0.035	0.011	50.147	-0.001	-0.001	0.000	0.000	0.000	0.000
245	A	1486	CYS	0	-0.047	-0.049	58.086	0.000	0.000	0.000	0.000	0.000	0.000
246	A	1487	ILE	0	0.009	0.007	59.947	0.000	0.000	0.000	0.000	0.000	0.000
247	A	1488	ASN	0	-0.019	0.005	63.635	0.000	0.000	0.000	0.000	0.000	0.000
248	A	1489	SER	0	-0.003	-0.029	66.116	-0.001	-0.001	0.000	0.000	0.000	0.000
249	A	1490	LYS	1	0.798	0.921	67.296	-0.013	-0.013	0.000	0.000	0.000	0.000
250	A	1491	SER	0	0.039	0.014	69.207	0.000	0.000	0.000	0.000	0.000	0.000
251	A	1492	GLY	0	0.022	0.007	71.874	0.000	0.000	0.000	0.000	0.000	0.000
252	A	1493	GLN	0	0.013	0.008	67.204	0.000	0.000	0.000	0.000	0.000	0.000
253	A	1494	GLY	0	0.003	-0.002	67.451	0.000	0.000	0.000	0.000	0.000	0.000
254	A	1495	ASP	-1	-0.737	-0.859	64.488	0.013	0.013	0.000	0.000	0.000	0.000
255	A	1496	LYS	1	0.767	0.861	60.075	-0.015	-0.015	0.000	0.000	0.000	0.000
256	A	1497	ILE	0	0.063	0.035	56.096	0.000	0.000	0.000	0.000	0.000	0.000
257	A	1498	GLN	0	0.026	0.016	59.797	0.000	0.000	0.000	0.000	0.000	0.000
258	A	1499	GLY	0	0.026	0.023	58.191	0.000	0.000	0.000	0.000	0.000	0.000
259	A	1500	ALA	0	-0.007	-0.020	52.742	0.001	0.001	0.000	0.000	0.000	0.000
260	A	1502	LYS	1	0.939	0.958	53.284	-0.019	-0.019	0.000	0.000	0.000	0.000
261	A	1503	ARG	1	0.922	0.948	52.418	-0.023	-0.023	0.000	0.000	0.000	0.000
262	A	1504	LYS	1	0.861	0.933	47.176	-0.026	-0.026	0.000	0.000	0.000	0.000
263	A	1505	CYS	0	-0.034	-0.020	49.189	0.001	0.001	0.000	0.000	0.000	0.000
264	A	1506	GLU	-1	-0.779	-0.865	50.926	0.022	0.022	0.000	0.000	0.000	0.000
265	A	1507	LYN	0	-0.054	0.005	46.334	0.001	0.001	0.000	0.000	0.000	0.000
266	A	1508	TYR	0	0.026	0.015	43.938	0.002	0.002	0.000	0.000	0.000	0.000
267	A	1509	LYS	1	0.888	0.944	47.507	-0.021	-0.021	0.000	0.000	0.000	0.000
268	A	1510	LYS	1	0.814	0.899	46.469	-0.032	-0.032	0.000	0.000	0.000	0.000
269	A	1511	TYR	0	-0.029	-0.046	38.774	0.000	0.000	0.000	0.000	0.000	0.000
270	A	1512	ILE	0	0.020	0.013	44.380	0.001	0.001	0.000	0.000	0.000	0.000
271	A	1513	SER	0	-0.035	-0.041	46.480	0.000	0.000	0.000	0.000	0.000	0.000
272	A	1514	GLU	-1	-0.908	-0.926	45.064	0.033	0.033	0.000	0.000	0.000	0.000
273	A	1515	LYS	1	0.885	0.927	37.834	-0.043	-0.043	0.000	0.000	0.000	0.000
274	A	1516	LYS	1	0.796	0.889	43.339	-0.024	-0.024	0.000	0.000	0.000	0.000
275	A	1517	GLN	0	-0.028	-0.015	44.411	0.000	0.000	0.000	0.000	0.000	0.000
276	A	1518	GLU	-1	-0.803	-0.910	39.199	0.043	0.043	0.000	0.000	0.000	0.000
277	A	1519	TRP	0	0.031	0.026	39.604	0.002	0.002	0.000	0.000	0.000	0.000
278	A	1520	ASP	-1	-0.804	-0.887	42.388	0.027	0.027	0.000	0.000	0.000	0.000
279	A	1521	LYS	1	0.778	0.906	42.232	-0.036	-0.036	0.000	0.000	0.000	0.000
280	A	1522	GLN	0	-0.014	-0.032	36.415	0.002	0.002	0.000	0.000	0.000	0.000
281	A	1523	LYS	1	0.871	0.918	40.030	-0.025	-0.025	0.000	0.000	0.000	0.000
282	A	1524	THR	0	0.004	-0.001	42.003	-0.001	-0.001	0.000	0.000	0.000	0.000
283	A	1525	LYS	1	0.853	0.937	36.233	-0.041	-0.041	0.000	0.000	0.000	0.000
284	A	1526	TYR	0	-0.035	-0.015	34.902	0.002	0.002	0.000	0.000	0.000	0.000
285	A	1527	GLU	-1	-0.744	-0.865	39.198	0.026	0.026	0.000	0.000	0.000	0.000
286	A	1528	ASN	0	-0.083	-0.052	42.180	-0.002	-0.002	0.000	0.000	0.000	0.000
287	A	1529	LYS	1	0.819	0.907	34.380	-0.042	-0.042	0.000	0.000	0.000	0.000
288	A	1530	TYR	0	-0.113	-0.072	33.692	0.000	0.000	0.000	0.000	0.000	0.000
289	A	1531	VAL	0	0.066	0.033	39.640	-0.001	-0.001	0.000	0.000	0.000	0.000
290	A	1532	GLY	0	-0.018	-0.009	42.552	0.000	0.000	0.000	0.000	0.000	0.000
291	A	1533	LYS	1	0.889	0.960	33.548	-0.037	-0.037	0.000	0.000	0.000	0.000
292	A	1534	SER	0	0.043	0.030	40.705	0.001	0.001	0.000	0.000	0.000	0.000
293	A	1535	ALA	0	-0.008	-0.025	38.946	0.002	0.002	0.000	0.000	0.000	0.000
294	A	1536	SER	0	-0.064	-0.059	38.442	0.002	0.002	0.000	0.000	0.000	0.000
295	A	1537	ASP	-1	-0.800	-0.873	38.096	0.025	0.025	0.000	0.000	0.000	0.000
296	A	1538	LEU	0	-0.024	-0.005	32.195	0.001	0.001	0.000	0.000	0.000	0.000
297	A	1539	LEU	0	-0.026	0.001	33.433	0.003	0.003	0.000	0.000	0.000	0.000
298	A	1540	LYS	1	0.808	0.884	34.704	-0.023	-0.023	0.000	0.000	0.000	0.000
299	A	1541	GLU	-1	-0.999	-0.985	33.233	0.029	0.029	0.000	0.000	0.000	0.000
300	A	1542	ASN	0	-0.049	-0.026	29.412	0.003	0.003	0.000	0.000	0.000	0.000
301	A	1543	TYR	0	0.064	0.027	27.439	0.003	0.003	0.000	0.000	0.000	0.000
302	A	1544	PRO	0	0.034	0.025	31.113	-0.002	-0.002	0.000	0.000	0.000	0.000
303	A	1545	GLU	-1	-0.786	-0.901	31.692	0.042	0.042	0.000	0.000	0.000	0.000
304	A	1547	ILE	0	-0.017	-0.002	36.592	-0.002	-0.002	0.000	0.000	0.000	0.000
305	A	1548	SER	0	0.041	0.034	39.292	-0.001	-0.001	0.000	0.000	0.000	0.000
306	A	1549	ALA	0	0.019	0.026	41.022	0.000	0.000	0.000	0.000	0.000	0.000
307	A	1550	ASN	0	0.003	-0.013	42.817	0.000	0.000	0.000	0.000	0.000	0.000
308	A	1551	PHE	0	0.048	0.015	38.823	0.000	0.000	0.000	0.000	0.000	0.000
309	A	1552	ASP	-1	-0.779	-0.823	44.854	0.019	0.019	0.000	0.000	0.000	0.000
310	A	1553	PHE	0	-0.009	0.006	48.334	0.000	0.000	0.000	0.000	0.000	0.000
311	A	1554	ILE	0	-0.077	-0.032	43.889	0.000	0.000	0.000	0.000	0.000	0.000
312	A	1555	PHE	0	-0.029	-0.022	42.471	0.000	0.000	0.000	0.000	0.000	0.000
313	A	1556	ASN	0	0.033	0.024	48.150	-0.001	-0.001	0.000	0.000	0.000	0.000
314	A	1557	ASP	-1	-0.752	-0.892	51.618	0.023	0.023	0.000	0.000	0.000	0.000
315	A	1558	ASN	0	-0.011	-0.003	54.182	0.000	0.000	0.000	0.000	0.000	0.000
316	A	1559	ILE	0	0.014	0.001	57.316	0.000	0.000	0.000	0.000	0.000	0.000
317	A	1560	GLU	-1	-0.800	-0.894	59.564	0.014	0.014	0.000	0.000	0.000	0.000
318	A	1561	TYR	0	0.025	0.012	54.720	0.000	0.000	0.000	0.000	0.000	0.000
319	A	1562	LYS	1	0.782	0.887	53.695	-0.020	-0.020	0.000	0.000	0.000	0.000
320	A	1563	THR	0	-0.101	-0.057	56.515	0.000	0.000	0.000	0.000	0.000	0.000
321	A	1564	TYR	0	-0.048	-0.037	59.584	0.000	0.000	0.000	0.000	0.000	0.000
322	A	1565	TYR	0	0.019	0.016	54.611	0.000	0.000	0.000	0.000	0.000	0.000
323	A	1566	PRO	0	-0.026	0.008	54.669	0.001	0.001	0.000	0.000	0.000	0.000
324	A	1567	TYR	0	-0.019	-0.050	51.496	0.001	0.001	0.000	0.000	0.000	0.000
325	A	1568	GLY	0	0.067	0.038	50.509	0.001	0.001	0.000	0.000	0.000	0.000
326	A	1569	ASP	-1	-0.772	-0.890	45.248	0.024	0.024	0.000	0.000	0.000	0.000
327	A	1570	TYR	0	0.003	-0.029	43.676	0.000	0.000	0.000	0.000	0.000	0.000
328	A	1571	SER	0	-0.064	-0.045	50.295	0.000	0.000	0.000	0.000	0.000	0.000
329	A	1572	SER	0	0.008	-0.013	52.862	0.000	0.000	0.000	0.000	0.000	0.000
330	A	1573	ILE	0	0.015	0.017	49.875	-0.001	-0.001	0.000	0.000	0.000	0.000
331	A	1575	SER	0	-0.021	-0.012	54.897	0.000	0.000	0.000	0.000	0.000	0.000
332	A	1577	GLU	-1	-0.809	-0.897	61.045	0.015	0.015	0.000	0.000	0.000	0.000
333	A	1578	GLN	0	-0.047	-0.030	62.055	0.000	0.000	0.000	0.000	0.000	0.000
334	A	1579	VAL	0	-0.021	-0.007	59.228	0.000	0.000	0.000	0.000	0.000	0.000
335	A	1580	LYS	1	0.799	0.886	62.674	-0.009	-0.009	0.000	0.000	0.000	0.000
336	A	1581	TYR	0	-0.034	-0.034	65.666	0.000	0.000	0.000	0.000	0.000	0.000
337	A	1582	TYR	0	-0.023	-0.022	67.246	0.000	0.000	0.000	0.000	0.000	0.000
338	A	1583	LYS	1	0.881	0.942	69.709	-0.008	-0.008	0.000	0.000	0.000	0.000
339	A	1584	TYR	0	0.055	0.026	72.914	0.000	0.000	0.000	0.000	0.000	0.000
340	A	1585	ASN	0	-0.022	-0.023	75.110	0.000	0.000	0.000	0.000	0.000	0.000
341	A	1586	ASN	0	-0.010	0.005	74.452	0.000	0.000	0.000	0.000	0.000	0.000
342	A	1587	ALA	0	0.027	0.015	76.818	0.000	0.000	0.000	0.000	0.000	0.000
343	A	1588	GLU	-1	-0.813	-0.885	75.714	0.009	0.009	0.000	0.000	0.000	0.000
344	A	1589	LYS	1	0.834	0.900	70.853	-0.009	-0.009	0.000	0.000	0.000	0.000
345	A	1590	LYS	1	0.840	0.927	72.659	-0.008	-0.008	0.000	0.000	0.000	0.000
346	A	1591	ASN	0	0.013	-0.008	67.275	0.000	0.000	0.000	0.000	0.000	0.000
347	A	1592	ASN	0	0.035	0.025	64.836	0.000	0.000	0.000	0.000	0.000	0.000
348	A	1593	LYS	1	0.845	0.932	65.050	-0.009	-0.009	0.000	0.000	0.000	0.000
349	A	1594	LEU	0	-0.055	-0.029	60.861	0.000	0.000	0.000	0.000	0.000	0.000
350	A	1595	LEU	0	0.006	0.000	62.089	0.000	0.000	0.000	0.000	0.000	0.000
351	A	1596	CYS	0	-0.044	-0.003	56.383	0.001	0.001	0.000	0.000	0.000	0.000
352	A	1597	TYR	0	-0.048	-0.060	52.506	0.000	0.000	0.000	0.000	0.000	0.000
353	A	1598	GLU	-1	-0.828	-0.918	59.080	0.011	0.011	0.000	0.000	0.000	0.000
354	A	1599	LYS	1	0.761	0.882	60.413	-0.011	-0.011	0.000	0.000	0.000	0.000
355	A	1600	ASP	-1	-0.789	-0.895	58.671	0.012	0.012	0.000	0.000	0.000	0.000
356	A	1601	ASN	0	-0.024	-0.012	61.149	0.000	0.000	0.000	0.000	0.000	0.000
357	A	1602	ASP	-1	-0.965	-0.977	60.544	0.011	0.011	0.000	0.000	0.000	0.000
358	A	1603	MET	0	-0.060	0.003	55.400	0.000	0.000	0.000	0.000	0.000	0.000
359	A	1604	THR	0	-0.023	-0.006	53.613	0.000	0.000	0.000	0.000	0.000	0.000
360	A	1605	TRP	0	-0.001	-0.007	54.877	0.000	0.000	0.000	0.000	0.000	0.000
361	A	1606	SER	0	0.024	0.018	49.049	0.001	0.001	0.000	0.000	0.000	0.000
362	A	1607	LYS	1	0.874	0.912	44.877	-0.013	-0.013	0.000	0.000	0.000	0.000
363	A	1608	LYN	0	0.021	0.044	41.317	-0.001	-0.001	0.000	0.000	0.000	0.000
364	A	1609	TYR	0	-0.035	-0.074	42.396	-0.001	-0.001	0.000	0.000	0.000	0.000
365	A	1610	ILE	0	-0.001	0.018	44.414	-0.001	-0.001	0.000	0.000	0.000	0.000
366	A	1611	LYS	1	0.835	0.921	44.333	-0.007	-0.007	0.000	0.000	0.000	0.000
367	A	1612	LYS	1	0.845	0.901	40.035	-0.014	-0.014	0.000	0.000	0.000	0.000
368	A	1613	LEU	0	0.027	-0.003	40.686	0.000	0.000	0.000	0.000	0.000	0.000
369	A	1614	GLU	-1	-0.791	-0.874	44.566	0.007	0.007	0.000	0.000	0.000	0.000
370	A	1615	ASN	0	-0.051	-0.035	46.056	-0.002	-0.002	0.000	0.000	0.000	0.000
371	A	1616	GLY	0	0.057	0.013	44.965	0.000	0.000	0.000	0.000	0.000	0.000
372	A	1617	ARG	1	0.890	0.959	45.314	-0.002	-0.002	0.000	0.000	0.000	0.000
373	A	1618	SER	0	0.041	0.022	43.519	0.001	0.001	0.000	0.000	0.000	0.000
374	A	1619	LEU	0	0.002	0.012	45.521	-0.001	-0.001	0.000	0.000	0.000	0.000
375	A	1620	GLU	-1	-0.806	-0.886	44.570	0.011	0.011	0.000	0.000	0.000	0.000
376	A	1621	GLY	0	-0.003	-0.011	46.891	-0.001	-0.001	0.000	0.000	0.000	0.000
377	A	1622	VAL	0	-0.025	-0.019	50.239	0.000	0.000	0.000	0.000	0.000	0.000
378	A	1623	TYR	0	0.007	-0.009	50.353	0.001	0.001	0.000	0.000	0.000	0.000
379	A	1624	VAL	0	-0.020	-0.010	50.898	-0.001	-0.001	0.000	0.000	0.000	0.000
380	A	1625	PRO	0	0.023	0.012	53.920	0.000	0.000	0.000	0.000	0.000	0.000
381	A	1626	PRO	0	0.035	0.009	56.594	0.000	0.000	0.000	0.000	0.000	0.000
382	A	1627	ARG	1	0.793	0.863	57.563	-0.009	-0.009	0.000	0.000	0.000	0.000
383	A	1628	ARG	1	0.790	0.903	51.327	-0.012	-0.012	0.000	0.000	0.000	0.000
384	A	1629	GLN	0	-0.048	-0.063	52.590	0.000	0.000	0.000	0.000	0.000	0.000
385	A	1630	GLN	0	-0.012	-0.006	54.004	0.001	0.001	0.000	0.000	0.000	0.000
386	A	1631	LEU	0	0.006	0.019	52.726	-0.001	-0.001	0.000	0.000	0.000	0.000
387	A	1633	LEU	0	-0.003	-0.011	52.751	0.000	0.000	0.000	0.000	0.000	0.000
388	A	1634	TYR	0	0.035	0.004	53.353	0.000	0.000	0.000	0.000	0.000	0.000
389	A	1635	GLU	-1	-0.728	-0.854	53.899	0.015	0.015	0.000	0.000	0.000	0.000
390	A	1636	LEU	0	-0.025	-0.023	54.135	0.000	0.000	0.000	0.000	0.000	0.000
391	A	1637	PHE	0	0.000	0.023	45.083	0.000	0.000	0.000	0.000	0.000	0.000
392	A	1638	PRO	0	0.047	0.025	50.380	0.000	0.000	0.000	0.000	0.000	0.000
393	A	1639	ILE	0	-0.013	0.016	51.846	0.000	0.000	0.000	0.000	0.000	0.000
394	A	1640	ILE	0	-0.001	0.006	48.762	0.000	0.000	0.000	0.000	0.000	0.000
395	A	1641	ILE	0	-0.028	-0.005	46.496	0.000	0.000	0.000	0.000	0.000	0.000
396	A	1642	LYS	1	0.814	0.914	48.577	-0.014	-0.014	0.000	0.000	0.000	0.000
397	A	1643	ASN	0	-0.055	-0.037	50.662	0.000	0.000	0.000	0.000	0.000	0.000
398	A	1644	GLU	-1	-0.883	-0.934	45.261	0.020	0.020	0.000	0.000	0.000	0.000
399	A	1645	GLU	-1	-0.883	-0.939	48.235	0.012	0.012	0.000	0.000	0.000	0.000
400	A	1646	GLY	0	0.034	0.013	49.759	0.000	0.000	0.000	0.000	0.000	0.000
401	A	1647	MET	0	-0.008	-0.001	51.507	-0.001	-0.001	0.000	0.000	0.000	0.000
402	A	1648	GLU	-1	-0.874	-0.960	54.769	0.008	0.008	0.000	0.000	0.000	0.000
403	A	1649	LYS	1	0.885	0.951	56.691	-0.011	-0.011	0.000	0.000	0.000	0.000
404	A	1650	ALA	0	0.039	0.015	53.564	0.000	0.000	0.000	0.000	0.000	0.000
405	A	1651	LYS	1	0.849	0.940	54.740	-0.009	-0.009	0.000	0.000	0.000	0.000
406	A	1652	GLU	-1	-0.872	-0.952	57.746	0.010	0.010	0.000	0.000	0.000	0.000
407	A	1653	GLU	-1	-0.772	-0.865	57.338	0.013	0.013	0.000	0.000	0.000	0.000
408	A	1654	LEU	0	-0.012	0.018	54.452	0.000	0.000	0.000	0.000	0.000	0.000
409	A	1655	LEU	0	0.056	0.030	57.921	0.000	0.000	0.000	0.000	0.000	0.000
410	A	1656	GLU	-1	-0.787	-0.870	61.497	0.009	0.009	0.000	0.000	0.000	0.000
411	A	1657	THR	0	-0.009	-0.036	57.398	0.000	0.000	0.000	0.000	0.000	0.000
412	A	1658	LEU	0	-0.002	-0.007	58.301	0.000	0.000	0.000	0.000	0.000	0.000
413	A	1659	GLN	0	-0.043	-0.017	60.893	0.000	0.000	0.000	0.000	0.000	0.000
414	A	1660	ILE	0	0.010	0.007	62.288	0.000	0.000	0.000	0.000	0.000	0.000
415	A	1661	VAL	0	-0.018	0.001	58.212	0.000	0.000	0.000	0.000	0.000	0.000
416	A	1662	ALA	0	0.018	0.006	61.506	0.000	0.000	0.000	0.000	0.000	0.000
417	A	1663	GLU	-1	-0.777	-0.851	63.950	0.009	0.009	0.000	0.000	0.000	0.000
418	A	1664	ARG	1	0.809	0.885	60.123	-0.013	-0.013	0.000	0.000	0.000	0.000
419	A	1665	GLU	-1	-0.746	-0.843	60.986	0.011	0.011	0.000	0.000	0.000	0.000
420	A	1666	ALA	0	0.020	0.002	63.670	0.000	0.000	0.000	0.000	0.000	0.000
421	A	1667	TYR	0	-0.091	-0.075	67.171	0.000	0.000	0.000	0.000	0.000	0.000
422	A	1668	TYR	0	0.008	-0.015	64.495	0.000	0.000	0.000	0.000	0.000	0.000
423	A	1669	LEU	0	-0.029	-0.006	63.110	0.000	0.000	0.000	0.000	0.000	0.000
424	A	1670	TRP	0	-0.026	-0.020	66.647	0.000	0.000	0.000	0.000	0.000	0.000
425	A	1671	LYS	1	0.815	0.901	67.443	-0.011	-0.011	0.000	0.000	0.000	0.000
426	A	1672	GLN	0	-0.021	0.010	62.663	0.000	0.000	0.000	0.000	0.000	0.000
427	A	1673	TYR	0	-0.001	-0.021	64.460	0.000	0.000	0.000	0.000	0.000	0.000
428	A	1674	ASN	0	-0.021	0.004	69.968	0.000	0.000	0.000	0.000	0.000	0.000
429	A	1675	PRO	0	-0.006	-0.015	71.623	0.000	0.000	0.000	0.000	0.000	0.000
430	A	1676	THR	0	-0.019	0.003	68.939	0.000	0.000	0.000	0.000	0.000	0.000
431	A	1677	GLY	0	-0.038	-0.020	72.144	0.000	0.000	0.000	0.000	0.000	0.000
432	A	1678	LYS	1	0.780	0.871	72.848	-0.007	-0.007	0.000	0.000	0.000	0.000
433	A	1679	GLY	0	0.051	0.028	78.085	0.000	0.000	0.000	0.000	0.000	0.000
434	A	1680	ILE	0	0.040	0.035	79.278	0.000	0.000	0.000	0.000	0.000	0.000
435	A	1681	ASP	-1	-0.818	-0.916	79.248	0.005	0.005	0.000	0.000	0.000	0.000
436	A	1682	ASP	-1	-0.795	-0.886	76.136	0.006	0.006	0.000	0.000	0.000	0.000
437	A	1683	ALA	0	0.013	0.011	75.036	0.000	0.000	0.000	0.000	0.000	0.000
438	A	1684	ASN	0	0.058	0.031	74.211	0.000	0.000	0.000	0.000	0.000	0.000
439	A	1685	LYS	1	0.757	0.860	74.621	-0.005	-0.005	0.000	0.000	0.000	0.000
440	A	1686	LYS	1	0.864	0.907	71.231	-0.006	-0.006	0.000	0.000	0.000	0.000
441	A	1687	ALA	0	0.023	0.015	70.018	0.000	0.000	0.000	0.000	0.000	0.000
442	A	1688	CYS	0	-0.112	-0.033	69.726	0.000	0.000	0.000	0.000	0.000	0.000
443	A	1689	CYS	0	-0.056	-0.003	68.722	0.000	0.000	0.000	0.000	0.000	0.000
444	A	1690	ALA	0	0.041	0.032	65.646	0.000	0.000	0.000	0.000	0.000	0.000
445	A	1691	ILE	0	-0.021	-0.008	64.823	0.000	0.000	0.000	0.000	0.000	0.000
446	A	1692	ARG	1	0.862	0.923	65.520	-0.006	-0.006	0.000	0.000	0.000	0.000
447	A	1693	GLY	0	0.001	0.009	63.343	0.000	0.000	0.000	0.000	0.000	0.000
448	A	1694	SER	0	0.018	-0.036	60.728	0.000	0.000	0.000	0.000	0.000	0.000
449	A	1695	PHE	0	-0.006	0.004	60.989	0.000	0.000	0.000	0.000	0.000	0.000
450	A	1696	TYR	0	-0.029	-0.046	61.823	0.000	0.000	0.000	0.000	0.000	0.000
451	A	1697	ASP	-1	-0.740	-0.843	57.228	0.008	0.008	0.000	0.000	0.000	0.000
452	A	1698	LEU	0	0.009	0.003	57.068	0.000	0.000	0.000	0.000	0.000	0.000
453	A	1699	GLU	-1	-0.723	-0.835	57.796	0.006	0.006	0.000	0.000	0.000	0.000
454	A	1700	ASP	-1	-0.772	-0.880	55.850	0.006	0.006	0.000	0.000	0.000	0.000
455	A	1701	ILE	0	-0.043	-0.021	52.424	0.000	0.000	0.000	0.000	0.000	0.000
456	A	1702	ILE	0	0.015	0.013	53.258	0.000	0.000	0.000	0.000	0.000	0.000
457	A	1703	LYS	1	0.796	0.888	54.503	-0.006	-0.006	0.000	0.000	0.000	0.000
458	A	1704	GLY	0	0.055	0.028	51.414	0.000	0.000	0.000	0.000	0.000	0.000
459	A	1705	ASN	0	-0.118	-0.070	51.037	0.000	0.000	0.000	0.000	0.000	0.000
460	A	1706	ASP	-1	-0.832	-0.891	51.976	0.010	0.010	0.000	0.000	0.000	0.000
461	A	1707	LEU	0	-0.013	-0.018	50.123	0.000	0.000	0.000	0.000	0.000	0.000
462	A	1708	VAL	0	-0.039	-0.016	48.135	0.000	0.000	0.000	0.000	0.000	0.000
463	A	1709	HIS	0	0.041	0.032	44.710	0.001	0.001	0.000	0.000	0.000	0.000
464	A	1710	ASP	-1	-0.735	-0.864	44.937	0.016	0.016	0.000	0.000	0.000	0.000
465	A	1711	GLU	-1	-0.872	-0.926	44.257	0.023	0.023	0.000	0.000	0.000	0.000
466	A	1712	TYR	0	-0.032	-0.041	45.822	0.001	0.001	0.000	0.000	0.000	0.000
467	A	1713	THR	0	0.018	-0.022	47.873	0.000	0.000	0.000	0.000	0.000	0.000
468	A	1714	LYS	1	0.934	0.981	38.842	-0.021	-0.021	0.000	0.000	0.000	0.000
469	A	1715	TYR	0	-0.002	0.009	43.110	0.000	0.000	0.000	0.000	0.000	0.000
470	A	1716	ILE	0	0.052	0.025	45.205	0.000	0.000	0.000	0.000	0.000	0.000
471	A	1717	ASP	-1	-0.811	-0.888	46.664	0.010	0.010	0.000	0.000	0.000	0.000
472	A	1718	SER	0	-0.053	-0.039	43.194	-0.001	-0.001	0.000	0.000	0.000	0.000
473	A	1719	LYS	1	0.836	0.903	45.080	-0.016	-0.016	0.000	0.000	0.000	0.000
474	A	1720	LEU	0	-0.027	-0.005	47.330	-0.001	-0.001	0.000	0.000	0.000	0.000
475	A	1721	ASN	0	-0.005	-0.019	45.885	-0.001	-0.001	0.000	0.000	0.000	0.000
476	A	1722	GLU	-1	-0.879	-0.912	44.995	0.014	0.014	0.000	0.000	0.000	0.000
477	A	1723	ILE	0	-0.034	-0.012	47.408	0.000	0.000	0.000	0.000	0.000	0.000
478	A	1724	PHE	0	-0.056	-0.034	50.890	0.000	0.000	0.000	0.000	0.000	0.000
479	A	1725	GLY	0	0.039	0.029	49.355	-0.001	-0.001	0.000	0.000	0.000	0.000
480	A	1726	SER	0	-0.068	-0.044	47.347	0.001	0.001	0.000	0.000	0.000	0.000
481	A	1727	SER	0	-0.025	-0.021	42.593	0.000	0.000	0.000	0.000	0.000	0.000
482	A	1728	ASP	-1	-0.895	-0.907	44.629	0.003	0.003	0.000	0.000	0.000	0.000
483	A	1729	THR	0	-0.020	-0.017	47.302	-0.001	-0.001	0.000	0.000	0.000	0.000
484	A	1730	ASN	0	-0.015	-0.016	46.040	0.000	0.000	0.000	0.000	0.000	0.000
485	A	1731	ASP	-1	-0.817	-0.909	46.036	0.006	0.006	0.000	0.000	0.000	0.000
486	A	1732	ILE	0	-0.024	-0.008	48.001	0.000	0.000	0.000	0.000	0.000	0.000
487	A	1733	ASP	-1	-0.816	-0.911	51.194	0.002	0.002	0.000	0.000	0.000	0.000
488	A	1734	THR	0	-0.005	0.006	48.644	0.001	0.001	0.000	0.000	0.000	0.000
489	A	1735	LYS	1	0.820	0.899	48.272	-0.006	-0.006	0.000	0.000	0.000	0.000
490	A	1736	ARG	1	0.799	0.867	53.024	-0.003	-0.003	0.000	0.000	0.000	0.000
491	A	1737	ALA	0	0.024	0.022	54.087	0.000	0.000	0.000	0.000	0.000	0.000
492	A	1738	ARG	1	0.735	0.842	49.207	-0.009	-0.009	0.000	0.000	0.000	0.000
493	A	1739	THR	0	-0.046	-0.046	55.695	0.000	0.000	0.000	0.000	0.000	0.000
494	A	1740	ASP	-1	-0.836	-0.872	58.567	0.004	0.004	0.000	0.000	0.000	0.000
495	A	1741	TRP	0	0.032	0.016	58.520	0.000	0.000	0.000	0.000	0.000	0.000
496	A	1742	TRP	0	0.018	0.009	59.963	0.000	0.000	0.000	0.000	0.000	0.000
497	A	1743	GLU	-1	-0.844	-0.923	61.717	0.005	0.005	0.000	0.000	0.000	0.000
498	A	1744	ASN	0	-0.072	-0.039	63.575	0.000	0.000	0.000	0.000	0.000	0.000
499	A	1745	GLU	-1	-0.808	-0.907	65.855	0.007	0.007	0.000	0.000	0.000	0.000
500	A	1746	ALA	0	-0.025	-0.003	67.316	0.000	0.000	0.000	0.000	0.000	0.000
501	A	1747	ILE	0	0.008	-0.027	67.995	0.000	0.000	0.000	0.000	0.000	0.000
502	A	1748	THR	0	-0.030	-0.003	70.894	0.000	0.000	0.000	0.000	0.000	0.000
503	A	1749	ASN	0	-0.022	-0.007	74.636	0.000	0.000	0.000	0.000	0.000	0.000
504	A	1750	GLY	0	0.040	0.017	74.692	0.000	0.000	0.000	0.000	0.000	0.000
505	A	1751	PRO	0	-0.017	-0.006	71.189	0.000	0.000	0.000	0.000	0.000	0.000
506	A	1752	ASP	-1	-0.768	-0.862	72.462	0.006	0.006	0.000	0.000	0.000	0.000
507	A	1753	ARG	1	0.848	0.907	73.002	-0.005	-0.005	0.000	0.000	0.000	0.000
508	A	1754	LYS	1	0.797	0.904	71.273	-0.006	-0.006	0.000	0.000	0.000	0.000
509	A	1755	THR	0	0.040	0.032	67.195	0.000	0.000	0.000	0.000	0.000	0.000
510	A	1756	ILE	0	0.038	0.032	61.903	0.000	0.000	0.000	0.000	0.000	0.000
511	A	1757	ARG	1	0.725	0.840	64.191	-0.005	-0.005	0.000	0.000	0.000	0.000
512	A	1758	GLN	0	0.010	-0.022	65.806	0.000	0.000	0.000	0.000	0.000	0.000
513	A	1759	LEU	0	-0.017	0.003	66.946	0.000	0.000	0.000	0.000	0.000	0.000
514	A	1760	VAL	0	0.034	0.006	62.889	0.000	0.000	0.000	0.000	0.000	0.000
515	A	1761	TRP	0	-0.042	-0.031	66.168	0.000	0.000	0.000	0.000	0.000	0.000
516	A	1762	ASP	-1	-0.781	-0.884	68.785	0.007	0.007	0.000	0.000	0.000	0.000
517	A	1763	ALA	0	-0.027	0.001	67.098	0.000	0.000	0.000	0.000	0.000	0.000
518	A	1764	MET	0	-0.021	0.003	63.753	0.000	0.000	0.000	0.000	0.000	0.000
519	A	1765	GLN	0	-0.007	0.010	68.962	0.000	0.000	0.000	0.000	0.000	0.000
520	A	1766	SER	0	-0.029	-0.024	71.022	0.000	0.000	0.000	0.000	0.000	0.000
521	A	1767	GLY	0	0.051	0.033	69.694	0.000	0.000	0.000	0.000	0.000	0.000
522	A	1768	VAL	0	-0.021	-0.017	70.662	0.000	0.000	0.000	0.000	0.000	0.000
523	A	1769	ARG	1	0.841	0.926	72.986	-0.007	-0.007	0.000	0.000	0.000	0.000
524	A	1770	TYR	0	-0.047	-0.032	70.876	0.000	0.000	0.000	0.000	0.000	0.000
525	A	1771	ALA	0	0.020	0.008	72.059	0.000	0.000	0.000	0.000	0.000	0.000
526	A	1772	VAL	0	-0.094	-0.043	74.057	0.000	0.000	0.000	0.000	0.000	0.000
527	A	1773	GLU	-1	-0.831	-0.907	77.494	0.007	0.007	0.000	0.000	0.000	0.000
528	A	1774	GLU	-1	-0.838	-0.880	73.618	0.009	0.009	0.000	0.000	0.000	0.000
529	A	1775	LYS	1	0.751	0.870	75.233	-0.008	-0.008	0.000	0.000	0.000	0.000
530	A	1776	ASN	0	-0.078	-0.038	79.926	0.000	0.000	0.000	0.000	0.000	0.000
531	A	1777	GLU	-1	-0.780	-0.879	78.451	0.007	0.007	0.000	0.000	0.000	0.000
532	A	1778	ASN	0	0.017	-0.004	81.902	0.000	0.000	0.000	0.000	0.000	0.000
533	A	1779	PHE	0	0.033	0.002	75.703	0.000	0.000	0.000	0.000	0.000	0.000
534	A	1780	PRO	0	0.002	0.011	76.369	0.000	0.000	0.000	0.000	0.000	0.000
535	A	1781	LEU	0	0.079	0.024	78.301	0.000	0.000	0.000	0.000	0.000	0.000
536	A	1783	MET	0	0.015	0.007	70.684	0.000	0.000	0.000	0.000	0.000	0.000
537	A	1784	GLY	0	-0.044	-0.001	75.275	0.000	0.000	0.000	0.000	0.000	0.000
538	A	1785	VAL	0	-0.016	-0.016	75.198	0.000	0.000	0.000	0.000	0.000	0.000
539	A	1786	GLU	-1	-0.938	-0.955	74.800	0.005	0.005	0.000	0.000	0.000	0.000
540	A	1787	HIS	0	0.027	0.015	69.572	0.000	0.000	0.000	0.000	0.000	0.000
541	A	1788	ILE	0	0.009	0.005	67.670	0.000	0.000	0.000	0.000	0.000	0.000
542	A	1789	GLY	0	-0.008	0.004	69.102	0.000	0.000	0.000	0.000	0.000	0.000
543	A	1790	ILE	0	0.060	0.024	64.893	0.000	0.000	0.000	0.000	0.000	0.000
544	A	1791	ALA	0	-0.001	0.013	62.177	0.000	0.000	0.000	0.000	0.000	0.000
545	A	1792	LYS	1	0.875	0.947	63.200	-0.004	-0.004	0.000	0.000	0.000	0.000
546	A	1793	PRO	0	0.041	0.022	58.415	0.000	0.000	0.000	0.000	0.000	0.000
547	A	1794	GLN	0	0.028	-0.017	54.422	0.000	0.000	0.000	0.000	0.000	0.000
548	A	1795	PHE	0	0.028	0.011	55.066	0.000	0.000	0.000	0.000	0.000	0.000
549	A	1796	ILE	0	-0.027	-0.016	56.893	0.000	0.000	0.000	0.000	0.000	0.000
550	A	1797	ARG	1	0.757	0.863	58.441	-0.007	-0.007	0.000	0.000	0.000	0.000
551	A	1798	TRP	0	0.072	0.009	52.772	0.000	0.000	0.000	0.000	0.000	0.000
552	A	1799	LEU	0	-0.007	0.002	59.215	0.000	0.000	0.000	0.000	0.000	0.000
553	A	1800	GLU	-1	-0.755	-0.847	60.743	0.005	0.005	0.000	0.000	0.000	0.000
554	A	1801	GLU	-1	-0.818	-0.900	61.069	0.008	0.008	0.000	0.000	0.000	0.000
555	A	1802	TRP	0	-0.074	-0.051	57.772	0.000	0.000	0.000	0.000	0.000	0.000
556	A	1803	THR	0	-0.047	-0.043	61.732	0.000	0.000	0.000	0.000	0.000	0.000
557	A	1804	ASN	0	0.057	0.018	64.722	0.000	0.000	0.000	0.000	0.000	0.000
558	A	1805	GLU	-1	-0.837	-0.888	61.445	0.009	0.009	0.000	0.000	0.000	0.000
559	A	1806	PHE	0	0.006	-0.006	62.870	0.000	0.000	0.000	0.000	0.000	0.000
560	A	1807	CYS	0	-0.034	-0.028	65.117	0.000	0.000	0.000	0.000	0.000	0.000
561	A	1808	GLU	-1	-0.766	-0.864	68.854	0.006	0.006	0.000	0.000	0.000	0.000
562	A	1809	LYS	1	0.970	0.980	62.493	-0.009	-0.009	0.000	0.000	0.000	0.000
563	A	1810	TYR	0	-0.001	-0.004	66.071	0.000	0.000	0.000	0.000	0.000	0.000
564	A	1811	THR	0	-0.057	-0.048	68.300	0.000	0.000	0.000	0.000	0.000	0.000
565	A	1812	LYS	1	0.882	0.929	69.743	-0.007	-0.007	0.000	0.000	0.000	0.000
566	A	1813	TYR	0	0.031	0.013	64.765	0.000	0.000	0.000	0.000	0.000	0.000
567	A	1814	PHE	0	-0.014	-0.007	69.511	0.000	0.000	0.000	0.000	0.000	0.000
568	A	1815	GLU	-1	-0.814	-0.887	71.220	0.005	0.005	0.000	0.000	0.000	0.000
569	A	1816	ASP	-1	-0.802	-0.880	71.425	0.007	0.007	0.000	0.000	0.000	0.000
570	A	1817	MET	0	-0.049	-0.032	69.868	0.000	0.000	0.000	0.000	0.000	0.000
571	A	1818	LYS	1	0.857	0.925	72.613	-0.005	-0.005	0.000	0.000	0.000	0.000
572	A	1819	SER	0	-0.045	-0.035	75.705	0.000	0.000	0.000	0.000	0.000	0.000
573	A	1820	LYS	1	0.853	0.926	72.480	-0.007	-0.007	0.000	0.000	0.000	0.000
574	A	1821	CYS	0	0.009	0.019	71.864	0.000	0.000	0.000	0.000	0.000	0.000
575	A	1836	ILE	0	0.066	0.015	72.685	0.000	0.000	0.000	0.000	0.000	0.000
576	A	1837	GLU	-1	-0.758	-0.858	71.987	0.007	0.007	0.000	0.000	0.000	0.000
577	A	1839	LYS	1	0.951	0.980	66.895	-0.006	-0.006	0.000	0.000	0.000	0.000
578	A	1840	LYS	1	0.923	0.947	67.194	-0.007	-0.007	0.000	0.000	0.000	0.000
579	A	1841	ALA	0	0.019	0.028	67.159	0.000	0.000	0.000	0.000	0.000	0.000
580	A	1842	CYS	0	-0.007	-0.018	66.996	0.000	0.000	0.000	0.000	0.000	0.000
581	A	1843	ALA	0	-0.011	0.006	63.148	0.000	0.000	0.000	0.000	0.000	0.000
582	A	1844	ASN	0	-0.033	-0.026	62.774	0.001	0.001	0.000	0.000	0.000	0.000
583	A	1845	TYR	0	0.020	0.004	63.692	0.000	0.000	0.000	0.000	0.000	0.000
584	A	1846	ALA	0	-0.005	-0.009	61.606	0.000	0.000	0.000	0.000	0.000	0.000
585	A	1847	ASN	0	-0.033	-0.013	58.181	0.000	0.000	0.000	0.000	0.000	0.000
586	A	1848	TRP	0	0.018	0.020	58.895	0.000	0.000	0.000	0.000	0.000	0.000
587	A	1849	LEU	0	0.003	-0.005	60.067	0.000	0.000	0.000	0.000	0.000	0.000
588	A	1850	ASN	0	-0.009	-0.018	56.379	-0.001	-0.001	0.000	0.000	0.000	0.000
589	A	1851	PRO	0	0.025	0.021	54.670	0.000	0.000	0.000	0.000	0.000	0.000
590	A	1852	LYS	1	0.854	0.937	55.691	-0.009	-0.009	0.000	0.000	0.000	0.000
591	A	1853	ARG	1	0.873	0.945	56.899	-0.007	-0.007	0.000	0.000	0.000	0.000
592	A	1854	ILE	0	-0.026	-0.006	50.815	0.000	0.000	0.000	0.000	0.000	0.000
593	A	1855	GLU	-1	-0.791	-0.890	53.610	0.009	0.009	0.000	0.000	0.000	0.000
594	A	1856	TRP	0	0.017	0.018	55.042	0.000	0.000	0.000	0.000	0.000	0.000
595	A	1857	ASN	0	-0.029	0.009	53.289	-0.001	-0.001	0.000	0.000	0.000	0.000
596	A	1858	GLY	0	0.047	0.028	52.249	0.000	0.000	0.000	0.000	0.000	0.000
597	A	1859	MET	0	0.052	0.043	52.982	0.000	0.000	0.000	0.000	0.000	0.000
598	A	1860	SER	0	-0.039	-0.038	55.773	-0.001	-0.001	0.000	0.000	0.000	0.000
599	A	1861	ASN	0	-0.011	-0.022	52.751	-0.001	-0.001	0.000	0.000	0.000	0.000
600	A	1862	TYR	0	-0.007	0.005	50.062	-0.001	-0.001	0.000	0.000	0.000	0.000
601	A	1863	TYR	0	0.007	-0.015	54.067	0.000	0.000	0.000	0.000	0.000	0.000
602	A	1864	ASN	0	-0.074	-0.069	56.831	-0.001	-0.001	0.000	0.000	0.000	0.000
603	A	1865	LYS	1	0.788	0.912	47.693	-0.006	-0.006	0.000	0.000	0.000	0.000
604	A	1866	ILE	0	-0.038	-0.012	53.256	-0.001	-0.001	0.000	0.000	0.000	0.000
605	A	1867	TYR	0	-0.006	-0.005	55.301	0.000	0.000	0.000	0.000	0.000	0.000
606	A	1868	ARG	1	0.876	0.928	58.746	-0.001	-0.001	0.000	0.000	0.000	0.000
607	A	1869	LYS	1	0.903	0.970	53.419	-0.003	-0.003	0.000	0.000	0.000	0.000
608	A	1870	SER	0	0.042	0.026	53.406	0.000	0.000	0.000	0.000	0.000	0.000
609	A	1882	MET	0	-0.028	-0.004	59.006	0.000	0.000	0.000	0.000	0.000	0.000
610	A	1883	ILE	0	0.031	-0.004	57.619	0.000	0.000	0.000	0.000	0.000	0.000
611	A	1884	MET	0	-0.002	0.006	62.346	0.000	0.000	0.000	0.000	0.000	0.000
612	A	1885	ALA	0	0.042	0.054	62.644	0.000	0.000	0.000	0.000	0.000	0.000
613	A	1886	PRO	0	0.027	0.015	64.715	0.000	0.000	0.000	0.000	0.000	0.000
614	A	1887	THR	0	-0.009	-0.030	63.913	0.000	0.000	0.000	0.000	0.000	0.000
615	A	1888	VAL	0	0.042	0.014	60.430	0.000	0.000	0.000	0.000	0.000	0.000
616	A	1889	ILE	0	0.002	0.013	63.456	0.000	0.000	0.000	0.000	0.000	0.000
617	A	1890	ASP	-1	-0.849	-0.904	66.569	0.002	0.002	0.000	0.000	0.000	0.000
618	A	1891	TYR	0	-0.049	-0.054	65.269	0.000	0.000	0.000	0.000	0.000	0.000
619	A	1892	LEU	0	0.057	0.009	63.369	0.000	0.000	0.000	0.000	0.000	0.000
620	A	1893	ASN	0	-0.014	-0.021	67.751	0.000	0.000	0.000	0.000	0.000	0.000
621	A	1894	LYS	1	0.885	0.948	71.162	-0.002	-0.002	0.000	0.000	0.000	0.000
622	A	1895	ARG	1	0.708	0.847	67.473	-0.004	-0.004	0.000	0.000	0.000	0.000
623	A	1896	CYS	0	-0.025	-0.001	68.474	0.001	0.001	0.000	0.000	0.000	0.000
624	A	1897	HIS	0	-0.046	-0.016	71.590	0.000	0.000	0.000	0.000	0.000	0.000
625	A	1898	GLY	0	0.027	0.018	75.195	0.000	0.000	0.000	0.000	0.000	0.000
626	A	1899	GLU	-1	-0.897	-0.947	76.310	0.004	0.004	0.000	0.000	0.000	0.000
627	A	1900	ILE	0	-0.020	0.011	71.449	0.000	0.000	0.000	0.000	0.000	0.000
628	A	1901	ASN	0	-0.002	-0.022	74.666	0.000	0.000	0.000	0.000	0.000	0.000
629	A	1902	GLY	0	0.055	0.011	73.445	0.000	0.000	0.000	0.000	0.000	0.000
630	A	1903	ASN	0	-0.011	-0.008	72.284	0.000	0.000	0.000	0.000	0.000	0.000
631	A	1904	TYR	0	0.034	0.015	65.028	0.000	0.000	0.000	0.000	0.000	0.000
632	A	1905	ILE	0	-0.008	0.008	70.777	0.000	0.000	0.000	0.000	0.000	0.000
633	A	1908	SER	0	0.023	0.021	70.262	0.000	0.000	0.000	0.000	0.000	0.000
634	A	1910	LYS	1	0.896	0.955	72.956	-0.005	-0.005	0.000	0.000	0.000	0.000
635	A	1911	ASN	0	0.001	-0.002	72.533	0.000	0.000	0.000	0.000	0.000	0.000
636	A	1912	ILE	0	0.029	0.026	72.234	0.000	0.000	0.000	0.000	0.000	0.000
637	A	1913	GLY	0	0.094	0.026	68.553	0.000	0.000	0.000	0.000	0.000	0.000
638	A	1914	ALA	0	-0.032	-0.017	68.130	0.000	0.000	0.000	0.000	0.000	0.000
639	A	1915	TYR	0	-0.003	0.006	69.506	0.000	0.000	0.000	0.000	0.000	0.000
640	A	1916	GLN	0	0.006	0.014	63.206	0.000	0.000	0.000	0.000	0.000	0.000
641	A	1917	THR	0	0.046	0.007	62.509	0.000	0.000	0.000	0.000	0.000	0.000
642	A	1918	THR	0	-0.015	0.006	63.097	0.000	0.000	0.000	0.000	0.000	0.000
643	A	1919	SER	0	-0.021	-0.003	64.787	0.000	0.000	0.000	0.000	0.000	0.000
644	A	1920	GLY	0	0.021	0.013	61.551	0.000	0.000	0.000	0.000	0.000	0.000
645	A	1921	THR	0	-0.066	-0.050	59.099	0.000	0.000	0.000	0.000	0.000	0.000
646	A	1922	VAL	0	0.020	0.018	58.338	0.000	0.000	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(A:1218:SER)