FMO DATABASE

FMODB ID: VK5Q1

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	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	646
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-15775955.487288
FMO2-HF: Nuclear repulsion	15501263.068684
FMO2-HF: Total energy	-274692.418605
FMO2-MP2: Total energy	-275477.100403

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.
-2.432	-0.755	-0.019	-0.727	-0.931	0

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 : -0.012 / q_NPA : -0.018

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].
3	A	1220	ASP	-1	-0.852	-0.934	3.885	-0.122	1.555	-0.019	-0.727	-0.931
4	A	1221	LEU	0	-0.061	-0.025	6.789	-0.175	-0.175	0.000	0.000	0.000
5	A	1222	GLN	0	0.007	-0.006	9.368	0.305	0.305	0.000	0.000	0.000
6	A	1223	ALA	0	0.062	0.033	9.995	0.026	0.026	0.000	0.000	0.000
7	A	1224	THR	0	-0.034	-0.007	11.848	-0.083	-0.083	0.000	0.000	0.000
8	A	1225	ASN	0	0.058	0.026	14.442	-0.089	-0.089	0.000	0.000	0.000
9	A	1226	TYR	0	0.011	0.008	16.931	-0.015	-0.015	0.000	0.000	0.000
10	A	1227	ILE	0	0.022	0.028	16.967	-0.025	-0.025	0.000	0.000	0.000
11	A	1228	ARG	1	0.941	0.938	21.104	-0.152	-0.152	0.000	0.000	0.000
12	A	1229	GLY	0	-0.049	-0.031	24.681	-0.001	-0.001	0.000	0.000	0.000
13	A	1230	CYS	0	-0.133	-0.020	20.782	-0.030	-0.030	0.000	0.000	0.000
14	A	1231	GLN	0	0.023	0.000	22.891	0.039	0.039	0.000	0.000	0.000
15	A	1232	SER	0	0.041	-0.001	24.236	0.001	0.001	0.000	0.000	0.000
16	A	1233	LYS	1	0.769	0.914	22.917	-0.297	-0.297	0.000	0.000	0.000
17	A	1234	THR	0	-0.026	-0.030	26.548	-0.004	-0.004	0.000	0.000	0.000
18	A	1235	TYR	0	0.030	0.019	25.525	-0.005	-0.005	0.000	0.000	0.000
19	A	1236	ASP	-1	-0.765	-0.877	30.228	0.155	0.155	0.000	0.000	0.000
20	A	1237	GLY	0	-0.038	-0.017	32.077	-0.007	-0.007	0.000	0.000	0.000
21	A	1238	LYS	1	0.852	0.930	31.340	-0.134	-0.134	0.000	0.000	0.000
22	A	1239	ILE	0	0.075	0.059	25.731	-0.007	-0.007	0.000	0.000	0.000
23	A	1240	PHE	0	0.003	0.019	30.363	-0.008	-0.008	0.000	0.000	0.000
24	A	1241	PRO	0	0.014	-0.008	31.367	0.012	0.012	0.000	0.000	0.000
25	A	1242	GLY	0	-0.030	0.001	33.272	-0.011	-0.011	0.000	0.000	0.000
26	A	1243	LYS	1	0.997	0.954	34.670	-0.120	-0.120	0.000	0.000	0.000
27	A	1244	GLY	0	-0.047	-0.003	36.504	-0.005	-0.005	0.000	0.000	0.000
28	A	1245	GLY	0	-0.001	-0.018	35.049	0.009	0.009	0.000	0.000	0.000
29	A	1246	GLU	-1	-0.876	-0.936	34.457	0.123	0.123	0.000	0.000	0.000
30	A	1247	LYS	1	0.848	0.954	31.038	-0.148	-0.148	0.000	0.000	0.000
31	A	1248	GLN	0	0.032	0.008	35.047	0.001	0.001	0.000	0.000	0.000
32	A	1249	TRP	0	0.040	0.024	32.269	0.000	0.000	0.000	0.000	0.000
33	A	1250	ILE	0	-0.023	-0.003	36.532	-0.007	-0.007	0.000	0.000	0.000
34	A	1251	CYS	0	-0.045	-0.018	36.366	-0.003	-0.003	0.000	0.000	0.000
35	A	1252	LYS	1	0.894	0.959	40.353	-0.065	-0.065	0.000	0.000	0.000
36	A	1253	ASP	-1	-0.754	-0.874	41.326	0.052	0.052	0.000	0.000	0.000
37	A	1254	THR	0	-0.098	-0.055	39.815	0.003	0.003	0.000	0.000	0.000
38	A	1255	ILE	0	0.034	0.022	41.465	0.000	0.000	0.000	0.000	0.000
39	A	1256	ILE	0	-0.041	-0.020	36.905	-0.001	-0.001	0.000	0.000	0.000
40	A	1257	HIS	1	0.857	0.907	34.294	-0.091	-0.091	0.000	0.000	0.000
41	A	1258	GLY	0	0.035	0.041	37.036	0.000	0.000	0.000	0.000	0.000
42	A	1259	ASP	-1	-0.815	-0.922	39.768	0.044	0.044	0.000	0.000	0.000
43	A	1260	THR	0	-0.108	-0.046	37.611	0.001	0.001	0.000	0.000	0.000
44	A	1261	ASN	0	0.001	-0.003	37.989	-0.002	-0.002	0.000	0.000	0.000
45	A	1262	GLY	0	-0.004	-0.008	40.183	-0.001	-0.001	0.000	0.000	0.000
46	A	1263	ALA	0	0.010	0.011	35.758	0.002	0.002	0.000	0.000	0.000
47	A	1265	ILE	0	0.014	-0.004	32.191	0.004	0.004	0.000	0.000	0.000
48	A	1266	PRO	0	0.071	0.040	29.849	-0.001	-0.001	0.000	0.000	0.000
49	A	1267	PRO	0	-0.006	-0.009	31.102	0.004	0.004	0.000	0.000	0.000
50	A	1268	ARG	1	0.855	0.917	23.661	-0.188	-0.188	0.000	0.000	0.000
51	A	1269	THR	0	-0.010	0.011	26.609	0.011	0.011	0.000	0.000	0.000
52	A	1270	GLN	0	-0.079	-0.053	27.779	0.003	0.003	0.000	0.000	0.000
53	A	1271	ASN	0	-0.031	-0.012	26.802	-0.008	-0.008	0.000	0.000	0.000
54	A	1272	LEU	0	0.084	0.056	22.257	0.020	0.020	0.000	0.000	0.000
55	A	1274	VAL	0	0.054	0.032	21.661	0.007	0.007	0.000	0.000	0.000
56	A	1275	GLY	0	0.057	-0.001	22.365	-0.003	-0.003	0.000	0.000	0.000
57	A	1276	GLU	-1	-0.889	-0.954	19.014	0.223	0.223	0.000	0.000	0.000
58	A	1277	LEU	0	0.001	0.002	20.756	-0.026	-0.026	0.000	0.000	0.000
59	A	1278	TRP	0	-0.011	-0.014	24.631	-0.017	-0.017	0.000	0.000	0.000
60	A	1279	ASP	-1	-0.846	-0.889	27.761	0.122	0.122	0.000	0.000	0.000
61	A	1280	LYS	1	0.975	0.995	28.346	-0.164	-0.164	0.000	0.000	0.000
62	A	1281	SER	0	-0.045	-0.016	32.787	-0.008	-0.008	0.000	0.000	0.000
63	A	1282	TYR	0	0.013	0.004	35.328	-0.007	-0.007	0.000	0.000	0.000
64	A	1283	GLY	0	0.027	0.023	38.077	0.002	0.002	0.000	0.000	0.000
65	A	1284	GLY	0	0.059	0.029	34.537	0.003	0.003	0.000	0.000	0.000
66	A	1285	ARG	1	0.792	0.887	33.075	-0.085	-0.085	0.000	0.000	0.000
67	A	1286	SER	0	0.031	0.010	29.173	0.010	0.010	0.000	0.000	0.000
68	A	1287	ASN	0	-0.071	-0.040	26.849	-0.014	-0.014	0.000	0.000	0.000
69	A	1288	ILE	0	-0.035	-0.006	23.299	-0.004	-0.004	0.000	0.000	0.000
70	A	1289	LYS	1	0.960	0.987	27.181	-0.037	-0.037	0.000	0.000	0.000
71	A	1290	GLN	0	-0.017	-0.013	29.581	-0.007	-0.007	0.000	0.000	0.000
72	A	1291	ASP	-1	-0.733	-0.853	23.269	0.056	0.056	0.000	0.000	0.000
73	A	1292	THR	0	-0.050	-0.042	22.444	-0.020	-0.020	0.000	0.000	0.000
74	A	1293	LYS	1	1.032	1.002	20.650	0.153	0.153	0.000	0.000	0.000
75	A	1294	GLU	-1	-0.882	-0.950	16.929	-0.185	-0.185	0.000	0.000	0.000
76	A	1295	LEU	0	-0.027	0.002	17.557	0.015	0.015	0.000	0.000	0.000
77	A	1296	LEU	0	0.052	0.021	19.758	0.033	0.033	0.000	0.000	0.000
78	A	1297	LYS	1	0.903	0.966	13.080	0.165	0.165	0.000	0.000	0.000
79	A	1298	GLU	-1	-0.948	-0.971	14.159	0.097	0.097	0.000	0.000	0.000
80	A	1299	LYS	1	0.827	0.923	15.843	-0.030	-0.030	0.000	0.000	0.000
81	A	1300	ILE	0	-0.002	0.002	17.291	0.038	0.038	0.000	0.000	0.000
82	A	1301	LYS	1	0.891	0.936	8.246	-0.122	-0.122	0.000	0.000	0.000
83	A	1302	ASN	0	-0.033	-0.022	13.781	0.170	0.170	0.000	0.000	0.000
84	A	1303	ALA	0	-0.038	-0.015	15.140	0.054	0.054	0.000	0.000	0.000
85	A	1304	ILE	0	0.032	0.014	14.331	0.017	0.017	0.000	0.000	0.000
86	A	1305	HIS	0	-0.003	0.005	9.531	0.250	0.250	0.000	0.000	0.000
87	A	1306	LYS	1	0.871	0.937	13.407	-0.397	-0.397	0.000	0.000	0.000
88	A	1307	GLU	-1	-0.773	-0.911	16.424	0.279	0.279	0.000	0.000	0.000
89	A	1308	THR	0	-0.040	-0.011	13.821	0.013	0.013	0.000	0.000	0.000
90	A	1309	GLU	-1	-0.859	-0.955	13.837	0.764	0.764	0.000	0.000	0.000
91	A	1310	LEU	0	-0.057	-0.023	16.220	-0.043	-0.043	0.000	0.000	0.000
92	A	1311	LEU	0	-0.021	-0.010	19.191	-0.036	-0.036	0.000	0.000	0.000
93	A	1312	TYR	0	0.015	0.028	16.798	0.001	0.001	0.000	0.000	0.000
94	A	1313	GLU	-1	-0.861	-0.931	18.960	0.314	0.314	0.000	0.000	0.000
95	A	1314	TYR	0	-0.041	-0.032	21.670	-0.030	-0.030	0.000	0.000	0.000
96	A	1315	HIS	0	-0.062	-0.054	22.174	-0.048	-0.048	0.000	0.000	0.000
97	A	1316	ASP	-1	-0.888	-0.955	21.249	0.366	0.366	0.000	0.000	0.000
98	A	1317	THR	0	-0.086	-0.026	23.348	-0.026	-0.026	0.000	0.000	0.000
99	A	1318	GLY	0	0.011	0.012	26.397	-0.020	-0.020	0.000	0.000	0.000
100	A	1319	THR	0	-0.068	-0.047	27.834	-0.025	-0.025	0.000	0.000	0.000
101	A	1320	ALA	0	-0.001	0.010	26.751	-0.017	-0.017	0.000	0.000	0.000
102	A	1321	ILE	0	-0.051	-0.030	28.791	0.000	0.000	0.000	0.000	0.000
103	A	1322	ILE	0	0.008	0.032	26.472	-0.003	-0.003	0.000	0.000	0.000
104	A	1323	SER	0	-0.026	-0.011	26.305	0.002	0.002	0.000	0.000	0.000
105	A	1324	LYS	1	0.869	0.952	28.023	-0.161	-0.161	0.000	0.000	0.000
106	A	1325	ASN	0	0.037	0.003	31.717	0.005	0.005	0.000	0.000	0.000
107	A	1326	ASP	-1	-0.838	-0.933	33.669	0.113	0.113	0.000	0.000	0.000
108	A	1327	LYS	1	0.802	0.876	37.072	-0.092	-0.092	0.000	0.000	0.000
109	A	1328	LYS	1	0.884	0.949	34.595	-0.124	-0.124	0.000	0.000	0.000
110	A	1329	GLY	0	0.046	0.027	35.096	0.006	0.006	0.000	0.000	0.000
111	A	1330	GLN	0	-0.002	0.010	30.340	-0.009	-0.009	0.000	0.000	0.000
112	A	1331	LYS	1	0.988	0.966	30.720	-0.133	-0.133	0.000	0.000	0.000
113	A	1332	GLY	0	-0.015	-0.024	30.681	-0.009	-0.009	0.000	0.000	0.000
114	A	1333	LYN	0	-0.051	0.018	27.871	-0.008	-0.008	0.000	0.000	0.000
115	A	1334	ASN	0	-0.036	-0.034	22.251	0.022	0.022	0.000	0.000	0.000
116	A	1335	ASP	-1	-0.910	-0.932	21.260	0.266	0.266	0.000	0.000	0.000
117	A	1336	PRO	0	-0.020	-0.018	21.728	0.001	0.001	0.000	0.000	0.000
118	A	1337	ASN	0	0.018	0.014	17.079	-0.013	-0.013	0.000	0.000	0.000
119	A	1338	GLY	0	0.031	0.004	18.498	-0.014	-0.014	0.000	0.000	0.000
120	A	1339	LEU	0	-0.039	-0.027	15.052	0.036	0.036	0.000	0.000	0.000
121	A	1340	PRO	0	0.049	0.038	19.114	-0.036	-0.036	0.000	0.000	0.000
122	A	1341	LYS	1	0.981	0.990	22.155	-0.164	-0.164	0.000	0.000	0.000
123	A	1342	GLY	0	0.035	-0.019	24.123	-0.004	-0.004	0.000	0.000	0.000
124	A	1343	PHE	0	0.001	0.012	15.039	0.000	0.000	0.000	0.000	0.000
125	A	1344	CYS	0	-0.041	-0.010	14.268	-0.028	-0.028	0.000	0.000	0.000
126	A	1345	HIS	0	0.028	0.019	19.525	-0.005	-0.005	0.000	0.000	0.000
127	A	1346	ALA	0	-0.009	0.007	21.760	-0.014	-0.014	0.000	0.000	0.000
128	A	1347	VAL	0	0.025	0.004	15.734	-0.008	-0.008	0.000	0.000	0.000
129	A	1348	GLN	0	-0.043	-0.027	18.539	-0.027	-0.027	0.000	0.000	0.000
130	A	1349	ARG	1	0.845	0.904	20.045	-0.184	-0.184	0.000	0.000	0.000
131	A	1350	SER	0	-0.036	-0.033	20.331	-0.025	-0.025	0.000	0.000	0.000
132	A	1351	PHE	0	-0.005	0.007	15.267	-0.008	-0.008	0.000	0.000	0.000
133	A	1352	ILE	0	-0.019	-0.005	19.535	-0.023	-0.023	0.000	0.000	0.000
134	A	1353	ASP	-1	-0.749	-0.885	22.893	0.131	0.131	0.000	0.000	0.000
135	A	1354	TYR	0	-0.042	-0.039	19.584	-0.002	-0.002	0.000	0.000	0.000
136	A	1355	LYS	1	0.866	0.939	21.420	-0.063	-0.063	0.000	0.000	0.000
137	A	1356	ASN	0	-0.028	-0.044	22.658	-0.011	-0.011	0.000	0.000	0.000
138	A	1357	MET	0	-0.037	-0.001	24.221	-0.004	-0.004	0.000	0.000	0.000
139	A	1358	ILE	0	-0.053	-0.028	21.347	-0.009	-0.009	0.000	0.000	0.000
140	A	1359	LEU	0	-0.060	-0.022	24.038	-0.018	-0.018	0.000	0.000	0.000
141	A	1360	GLY	0	0.012	0.011	27.193	0.005	0.005	0.000	0.000	0.000
142	A	1361	THR	0	-0.022	-0.033	30.317	0.002	0.002	0.000	0.000	0.000
143	A	1362	SER	0	0.005	0.008	32.462	0.001	0.001	0.000	0.000	0.000
144	A	1363	VAL	0	-0.036	0.005	33.348	0.001	0.001	0.000	0.000	0.000
145	A	1364	ASN	0	0.022	0.018	32.647	0.003	0.003	0.000	0.000	0.000
146	A	1365	ILE	0	0.056	0.015	26.969	0.000	0.000	0.000	0.000	0.000
147	A	1366	TYR	0	-0.101	-0.065	27.046	0.003	0.003	0.000	0.000	0.000
148	A	1367	GLU	-1	-0.821	-0.928	32.464	0.098	0.098	0.000	0.000	0.000
149	A	1368	HIS	0	-0.034	-0.028	34.810	-0.010	-0.010	0.000	0.000	0.000
150	A	1369	ILE	0	-0.044	-0.019	28.209	-0.005	-0.005	0.000	0.000	0.000
151	A	1370	GLY	0	0.118	0.066	31.478	-0.002	-0.002	0.000	0.000	0.000
152	A	1371	LYS	1	0.894	0.940	33.120	-0.059	-0.059	0.000	0.000	0.000
153	A	1372	LEU	0	-0.018	-0.010	26.163	-0.005	-0.005	0.000	0.000	0.000
154	A	1373	GLN	0	0.061	0.028	28.845	0.002	0.002	0.000	0.000	0.000
155	A	1374	GLU	-1	-0.939	-0.964	29.916	0.009	0.009	0.000	0.000	0.000
156	A	1375	ASP	-1	-0.842	-0.938	29.644	0.022	0.022	0.000	0.000	0.000
157	A	1376	ILE	0	-0.025	-0.018	24.627	-0.007	-0.007	0.000	0.000	0.000
158	A	1377	LYS	1	0.957	0.997	27.038	-0.012	-0.012	0.000	0.000	0.000
159	A	1378	LYS	1	0.908	0.981	29.273	-0.017	-0.017	0.000	0.000	0.000
160	A	1379	ILE	0	-0.087	-0.038	24.259	-0.011	-0.011	0.000	0.000	0.000
161	A	1380	ILE	0	-0.022	-0.024	22.535	-0.014	-0.014	0.000	0.000	0.000
162	A	1381	GLU	-1	-0.862	-0.935	26.030	-0.045	-0.045	0.000	0.000	0.000
163	A	1382	LYS	1	0.857	0.942	26.217	0.046	0.046	0.000	0.000	0.000
164	A	1383	GLY	0	-0.041	-0.022	25.107	-0.006	-0.006	0.000	0.000	0.000
165	A	1384	THR	0	-0.041	-0.024	21.998	0.004	0.004	0.000	0.000	0.000
166	A	1385	PRO	0	0.027	0.031	23.906	0.001	0.001	0.000	0.000	0.000
167	A	1399	GLU	-1	-0.838	-0.925	29.593	-0.027	-0.027	0.000	0.000	0.000
168	A	1400	ASN	0	-0.012	-0.008	25.668	-0.004	-0.004	0.000	0.000	0.000
169	A	1401	VAL	0	0.033	0.005	24.404	-0.009	-0.009	0.000	0.000	0.000
170	A	1402	ASN	0	-0.004	-0.013	24.027	0.009	0.009	0.000	0.000	0.000
171	A	1403	ALA	0	-0.021	0.005	23.903	-0.001	-0.001	0.000	0.000	0.000
172	A	1404	TRP	0	-0.012	-0.016	19.008	-0.004	-0.004	0.000	0.000	0.000
173	A	1405	TRP	0	0.001	-0.029	17.920	-0.010	-0.010	0.000	0.000	0.000
174	A	1406	LYS	1	0.995	1.007	18.797	0.137	0.137	0.000	0.000	0.000
175	A	1407	GLY	0	-0.064	-0.032	17.544	-0.009	-0.009	0.000	0.000	0.000
176	A	1408	ILE	0	-0.007	-0.010	14.906	-0.035	-0.035	0.000	0.000	0.000
177	A	1409	GLU	-1	-0.835	-0.911	14.141	0.066	0.066	0.000	0.000	0.000
178	A	1410	ARG	1	0.846	0.902	9.173	0.090	0.090	0.000	0.000	0.000
179	A	1411	GLU	-1	-0.804	-0.900	9.050	-0.082	-0.082	0.000	0.000	0.000
180	A	1412	MET	0	-0.061	-0.027	10.375	0.179	0.179	0.000	0.000	0.000
181	A	1413	TRP	0	0.026	0.012	11.856	0.101	0.101	0.000	0.000	0.000
182	A	1414	ASP	-1	-0.785	-0.877	6.810	0.477	0.477	0.000	0.000	0.000
183	A	1415	ALA	0	-0.025	0.001	7.835	0.416	0.416	0.000	0.000	0.000
184	A	1416	VAL	0	-0.016	-0.011	9.972	0.132	0.132	0.000	0.000	0.000
185	A	1417	ARG	1	0.791	0.894	8.117	-0.271	-0.271	0.000	0.000	0.000
186	A	1419	ALA	0	-0.008	0.005	6.374	0.337	0.337	0.000	0.000	0.000
187	A	1420	ILE	0	-0.005	-0.002	9.679	-0.111	-0.111	0.000	0.000	0.000
188	A	1421	THR	0	0.039	0.010	5.534	0.021	0.021	0.000	0.000	0.000
189	A	1422	LYS	1	0.796	0.914	8.361	-1.222	-1.222	0.000	0.000	0.000
190	A	1423	ILE	0	-0.004	0.008	10.200	-0.140	-0.140	0.000	0.000	0.000
191	A	1424	ASN	0	0.027	0.039	9.688	-0.242	-0.242	0.000	0.000	0.000
192	A	1425	LYS	1	0.943	0.967	6.422	-3.179	-3.179	0.000	0.000	0.000
193	A	1426	LYS	1	0.890	0.963	12.680	-0.749	-0.749	0.000	0.000	0.000
194	A	1427	ASN	0	-0.021	-0.006	15.703	-0.139	-0.139	0.000	0.000	0.000
195	A	1428	ASN	0	0.017	0.016	16.641	0.032	0.032	0.000	0.000	0.000
196	A	1429	ASN	0	-0.033	-0.028	18.100	-0.028	-0.028	0.000	0.000	0.000
197	A	1430	GLY	0	0.018	0.023	17.539	-0.040	-0.040	0.000	0.000	0.000
198	A	1431	ILE	0	-0.014	-0.018	12.633	0.077	0.077	0.000	0.000	0.000
199	A	1432	PHE	0	-0.036	-0.017	11.494	-0.033	-0.033	0.000	0.000	0.000
200	A	1433	ASN	0	-0.091	-0.070	8.430	0.102	0.102	0.000	0.000	0.000
201	A	1434	GLY	0	0.003	0.011	7.791	0.176	0.176	0.000	0.000	0.000
202	A	1435	ASP	-1	-0.819	-0.892	9.560	0.282	0.282	0.000	0.000	0.000
203	A	1436	GLU	-1	-0.766	-0.895	12.168	0.581	0.581	0.000	0.000	0.000
204	A	1438	GLY	0	0.037	0.018	15.428	-0.038	-0.038	0.000	0.000	0.000
205	A	1439	VAL	0	0.040	0.007	11.552	0.061	0.061	0.000	0.000	0.000
206	A	1440	SER	0	-0.054	-0.038	12.473	-0.012	-0.012	0.000	0.000	0.000
207	A	1441	PRO	0	-0.006	0.011	14.445	0.038	0.038	0.000	0.000	0.000
208	A	1442	PRO	0	-0.068	-0.036	16.840	-0.030	-0.030	0.000	0.000	0.000
209	A	1443	THR	0	0.000	-0.018	20.574	-0.024	-0.024	0.000	0.000	0.000
210	A	1444	GLY	0	0.050	0.036	22.848	0.000	0.000	0.000	0.000	0.000
211	A	1445	ASN	0	-0.024	-0.022	25.836	-0.004	-0.004	0.000	0.000	0.000
212	A	1446	ASP	-1	-0.784	-0.886	24.527	0.095	0.095	0.000	0.000	0.000
213	A	1447	GLU	-1	-0.830	-0.886	24.471	0.025	0.025	0.000	0.000	0.000
214	A	1448	ASP	-1	-0.792	-0.879	25.985	0.046	0.046	0.000	0.000	0.000
215	A	1449	GLN	0	0.089	0.016	27.895	0.017	0.017	0.000	0.000	0.000
216	A	1450	SER	0	-0.076	-0.032	29.572	0.005	0.005	0.000	0.000	0.000
217	A	1451	VAL	0	0.029	0.015	30.304	0.004	0.004	0.000	0.000	0.000
218	A	1452	SER	0	-0.002	0.007	25.796	0.009	0.009	0.000	0.000	0.000
219	A	1453	TRP	0	-0.018	-0.036	28.423	0.003	0.003	0.000	0.000	0.000
220	A	1454	PHE	0	0.005	0.003	30.752	0.002	0.002	0.000	0.000	0.000
221	A	1455	LYS	1	0.861	0.925	27.251	-0.102	-0.102	0.000	0.000	0.000
222	A	1456	GLU	-1	-0.871	-0.914	28.145	0.167	0.167	0.000	0.000	0.000
223	A	1457	TRP	0	-0.050	-0.030	30.323	0.002	0.002	0.000	0.000	0.000
224	A	1458	GLY	0	0.028	-0.002	33.874	-0.002	-0.002	0.000	0.000	0.000
225	A	1459	GLU	-1	-0.804	-0.891	27.850	0.167	0.167	0.000	0.000	0.000
226	A	1460	GLN	0	-0.004	-0.018	31.819	-0.007	-0.007	0.000	0.000	0.000
227	A	1461	PHE	0	-0.001	0.013	33.481	-0.003	-0.003	0.000	0.000	0.000
228	A	1462	CYS	0	-0.093	-0.051	35.248	-0.008	-0.008	0.000	0.000	0.000
229	A	1463	ILE	0	0.030	0.020	30.659	-0.002	-0.002	0.000	0.000	0.000
230	A	1464	GLU	-1	-0.897	-0.970	35.063	0.110	0.110	0.000	0.000	0.000
231	A	1465	ARG	1	0.832	0.893	37.631	-0.078	-0.078	0.000	0.000	0.000
232	A	1466	LEU	0	0.036	0.027	36.768	-0.005	-0.005	0.000	0.000	0.000
233	A	1467	ARG	1	0.887	0.954	35.491	-0.127	-0.127	0.000	0.000	0.000
234	A	1468	TYR	0	-0.068	-0.046	40.040	-0.005	-0.005	0.000	0.000	0.000
235	A	1469	GLU	-1	-0.849	-0.892	42.859	0.070	0.070	0.000	0.000	0.000
236	A	1470	GLN	0	-0.011	-0.001	41.751	-0.001	-0.001	0.000	0.000	0.000
237	A	1471	ASN	0	-0.047	-0.038	42.686	-0.004	-0.004	0.000	0.000	0.000
238	A	1472	ILE	0	-0.012	-0.011	45.790	-0.003	-0.003	0.000	0.000	0.000
239	A	1473	ARG	1	0.812	0.873	46.065	-0.069	-0.069	0.000	0.000	0.000
240	A	1474	GLU	-1	-0.747	-0.854	44.994	0.082	0.082	0.000	0.000	0.000
241	A	1475	ALA	0	-0.086	-0.037	48.920	-0.002	-0.002	0.000	0.000	0.000
242	A	1476	CYS	0	-0.052	-0.012	51.802	-0.001	-0.001	0.000	0.000	0.000
243	A	1477	THR	0	0.051	0.032	50.936	-0.002	-0.002	0.000	0.000	0.000
244	A	1478	ILE	0	-0.047	-0.001	50.569	-0.001	-0.001	0.000	0.000	0.000
245	A	1486	CYS	0	-0.062	-0.052	58.058	0.001	0.001	0.000	0.000	0.000
246	A	1487	ILE	0	0.001	0.016	59.807	-0.001	-0.001	0.000	0.000	0.000
247	A	1488	ASN	0	-0.004	0.003	63.473	0.000	0.000	0.000	0.000	0.000
248	A	1489	SER	0	-0.001	0.013	65.855	-0.001	-0.001	0.000	0.000	0.000
249	A	1490	LYS	1	0.836	0.916	67.192	-0.034	-0.034	0.000	0.000	0.000
250	A	1491	SER	0	0.046	0.026	69.174	0.000	0.000	0.000	0.000	0.000
251	A	1492	GLY	0	0.022	0.000	71.535	0.000	0.000	0.000	0.000	0.000
252	A	1493	GLN	0	0.020	0.025	66.812	0.001	0.001	0.000	0.000	0.000
253	A	1494	GLY	0	-0.023	-0.018	67.649	0.000	0.000	0.000	0.000	0.000
254	A	1495	ASP	-1	-0.770	-0.890	64.803	0.035	0.035	0.000	0.000	0.000
255	A	1496	LYS	1	0.900	0.936	60.301	-0.042	-0.042	0.000	0.000	0.000
256	A	1497	ILE	0	0.057	0.029	55.831	0.000	0.000	0.000	0.000	0.000
257	A	1498	GLN	0	-0.014	-0.034	59.783	-0.001	-0.001	0.000	0.000	0.000
258	A	1499	GLY	0	0.015	0.018	58.280	0.000	0.000	0.000	0.000	0.000
259	A	1500	ALA	0	0.010	0.000	52.838	0.001	0.001	0.000	0.000	0.000
260	A	1502	LYS	1	1.008	1.002	53.435	-0.047	-0.047	0.000	0.000	0.000
261	A	1503	ARG	1	0.924	0.955	52.034	-0.062	-0.062	0.000	0.000	0.000
262	A	1504	LYS	1	0.911	0.958	47.765	-0.071	-0.071	0.000	0.000	0.000
263	A	1505	CYS	0	-0.056	-0.005	48.920	0.003	0.003	0.000	0.000	0.000
264	A	1506	GLU	-1	-0.862	-0.931	50.648	0.052	0.052	0.000	0.000	0.000
265	A	1507	LYN	0	-0.030	-0.007	46.718	0.000	0.000	0.000	0.000	0.000
266	A	1508	TYR	0	0.040	0.026	43.962	0.003	0.003	0.000	0.000	0.000
267	A	1509	LYS	1	0.950	0.979	47.277	-0.049	-0.049	0.000	0.000	0.000
268	A	1510	LYS	1	0.858	0.944	48.384	-0.070	-0.070	0.000	0.000	0.000
269	A	1511	TYR	0	0.060	0.030	38.744	-0.002	-0.002	0.000	0.000	0.000
270	A	1512	ILE	0	0.008	0.003	44.414	0.001	0.001	0.000	0.000	0.000
271	A	1513	SER	0	-0.087	-0.066	46.417	-0.002	-0.002	0.000	0.000	0.000
272	A	1514	GLU	-1	-0.960	-0.969	44.460	0.074	0.074	0.000	0.000	0.000
273	A	1515	LYS	1	0.938	0.972	36.890	-0.098	-0.098	0.000	0.000	0.000
274	A	1516	LYS	1	0.861	0.947	42.949	-0.047	-0.047	0.000	0.000	0.000
275	A	1517	GLN	0	-0.016	0.003	44.699	-0.004	-0.004	0.000	0.000	0.000
276	A	1518	GLU	-1	-0.844	-0.956	39.197	0.083	0.083	0.000	0.000	0.000
277	A	1519	TRP	0	0.046	0.038	39.188	0.002	0.002	0.000	0.000	0.000
278	A	1520	ASP	-1	-0.854	-0.931	42.092	0.044	0.044	0.000	0.000	0.000
279	A	1521	LYS	1	0.816	0.933	42.203	-0.059	-0.059	0.000	0.000	0.000
280	A	1522	GLN	0	0.018	-0.035	36.243	0.001	0.001	0.000	0.000	0.000
281	A	1523	LYS	1	0.947	0.992	39.574	-0.042	-0.042	0.000	0.000	0.000
282	A	1524	THR	0	-0.025	-0.031	41.926	-0.003	-0.003	0.000	0.000	0.000
283	A	1525	LYS	1	0.937	0.973	36.337	-0.054	-0.054	0.000	0.000	0.000
284	A	1526	TYR	0	-0.071	-0.034	35.262	-0.002	-0.002	0.000	0.000	0.000
285	A	1527	GLU	-1	-0.749	-0.900	39.130	0.036	0.036	0.000	0.000	0.000
286	A	1528	ASN	0	-0.052	-0.008	41.888	-0.005	-0.005	0.000	0.000	0.000
287	A	1529	LYS	1	0.817	0.908	33.908	-0.037	-0.037	0.000	0.000	0.000
288	A	1530	TYR	0	-0.112	-0.065	33.234	-0.005	-0.005	0.000	0.000	0.000
289	A	1531	VAL	0	0.104	0.053	39.418	0.002	0.002	0.000	0.000	0.000
290	A	1532	GLY	0	-0.049	-0.015	41.854	-0.002	-0.002	0.000	0.000	0.000
291	A	1533	LYS	1	0.899	0.953	34.645	-0.028	-0.028	0.000	0.000	0.000
292	A	1534	SER	0	0.043	0.041	40.637	0.002	0.002	0.000	0.000	0.000
293	A	1535	ALA	0	-0.015	-0.024	38.692	0.003	0.003	0.000	0.000	0.000
294	A	1536	SER	0	0.005	-0.022	38.138	0.005	0.005	0.000	0.000	0.000
295	A	1537	ASP	-1	-0.796	-0.879	38.461	0.043	0.043	0.000	0.000	0.000
296	A	1538	LEU	0	-0.043	-0.006	32.297	0.004	0.004	0.000	0.000	0.000
297	A	1539	LEU	0	-0.058	-0.016	33.471	0.008	0.008	0.000	0.000	0.000
298	A	1540	LYS	1	0.907	0.956	34.330	-0.050	-0.050	0.000	0.000	0.000
299	A	1541	GLU	-1	-1.008	-0.985	33.111	0.048	0.048	0.000	0.000	0.000
300	A	1542	ASN	0	-0.064	-0.056	28.991	0.009	0.009	0.000	0.000	0.000
301	A	1543	TYR	0	0.033	0.014	27.599	0.014	0.014	0.000	0.000	0.000
302	A	1544	PRO	0	0.054	0.026	30.440	-0.007	-0.007	0.000	0.000	0.000
303	A	1545	GLU	-1	-0.856	-0.935	31.345	0.127	0.127	0.000	0.000	0.000
304	A	1547	ILE	0	-0.005	0.006	35.971	-0.007	-0.007	0.000	0.000	0.000
305	A	1548	SER	0	0.021	0.012	39.206	-0.004	-0.004	0.000	0.000	0.000
306	A	1549	ALA	0	-0.025	0.004	40.392	-0.002	-0.002	0.000	0.000	0.000
307	A	1550	ASN	0	0.038	0.005	42.262	-0.002	-0.002	0.000	0.000	0.000
308	A	1551	PHE	0	0.011	-0.013	38.598	0.000	0.000	0.000	0.000	0.000
309	A	1552	ASP	-1	-0.770	-0.855	44.575	0.038	0.038	0.000	0.000	0.000
310	A	1553	PHE	0	-0.036	-0.013	47.953	-0.001	-0.001	0.000	0.000	0.000
311	A	1554	ILE	0	-0.060	-0.026	43.724	0.000	0.000	0.000	0.000	0.000
312	A	1555	PHE	0	-0.050	-0.046	42.411	0.000	0.000	0.000	0.000	0.000
313	A	1556	ASN	0	0.034	0.015	48.044	-0.004	-0.004	0.000	0.000	0.000
314	A	1557	ASP	-1	-0.902	-0.969	51.673	0.040	0.040	0.000	0.000	0.000
315	A	1558	ASN	0	0.012	0.015	53.973	-0.001	-0.001	0.000	0.000	0.000
316	A	1559	ILE	0	0.012	-0.012	56.992	0.002	0.002	0.000	0.000	0.000
317	A	1560	GLU	-1	-0.831	-0.925	59.322	0.028	0.028	0.000	0.000	0.000
318	A	1561	TYR	0	0.021	0.011	54.851	0.000	0.000	0.000	0.000	0.000
319	A	1562	LYS	1	0.915	0.962	52.907	-0.041	-0.041	0.000	0.000	0.000
320	A	1563	THR	0	-0.121	-0.041	56.447	0.001	0.001	0.000	0.000	0.000
321	A	1564	TYR	0	0.012	0.002	59.018	0.001	0.001	0.000	0.000	0.000
322	A	1565	TYR	0	0.013	0.004	54.398	0.001	0.001	0.000	0.000	0.000
323	A	1566	PRO	0	-0.023	0.005	54.809	0.001	0.001	0.000	0.000	0.000
324	A	1567	TYR	0	-0.093	-0.090	51.369	0.001	0.001	0.000	0.000	0.000
325	A	1568	GLY	0	0.050	0.021	50.293	0.003	0.003	0.000	0.000	0.000
326	A	1569	ASP	-1	-0.798	-0.869	45.349	0.061	0.061	0.000	0.000	0.000
327	A	1570	TYR	0	-0.001	-0.029	43.541	-0.001	-0.001	0.000	0.000	0.000
328	A	1571	SER	0	-0.060	-0.047	50.060	0.000	0.000	0.000	0.000	0.000
329	A	1572	SER	0	0.064	0.016	53.400	0.000	0.000	0.000	0.000	0.000
330	A	1573	ILE	0	0.018	0.025	49.847	-0.001	-0.001	0.000	0.000	0.000
331	A	1575	SER	0	-0.043	-0.019	54.896	-0.002	-0.002	0.000	0.000	0.000
332	A	1577	GLU	-1	-0.887	-0.943	61.339	0.039	0.039	0.000	0.000	0.000
333	A	1578	GLN	0	-0.038	-0.016	61.943	0.000	0.000	0.000	0.000	0.000
334	A	1579	VAL	0	-0.006	0.010	58.947	-0.001	-0.001	0.000	0.000	0.000
335	A	1580	LYS	1	0.844	0.908	62.353	-0.027	-0.027	0.000	0.000	0.000
336	A	1581	TYR	0	-0.027	0.005	65.467	0.000	0.000	0.000	0.000	0.000
337	A	1582	TYR	0	-0.052	-0.045	66.959	0.000	0.000	0.000	0.000	0.000
338	A	1583	LYS	1	0.928	0.970	69.955	-0.022	-0.022	0.000	0.000	0.000
339	A	1584	TYR	0	0.067	0.032	72.961	0.000	0.000	0.000	0.000	0.000
340	A	1585	ASN	0	-0.064	-0.040	75.260	0.000	0.000	0.000	0.000	0.000
341	A	1586	ASN	0	0.004	0.021	74.316	0.000	0.000	0.000	0.000	0.000
342	A	1587	ALA	0	0.030	0.004	76.881	0.000	0.000	0.000	0.000	0.000
343	A	1588	GLU	-1	-0.856	-0.917	75.398	0.024	0.024	0.000	0.000	0.000
344	A	1589	LYS	1	0.847	0.903	70.938	-0.026	-0.026	0.000	0.000	0.000
345	A	1590	LYS	1	0.905	0.974	72.277	-0.021	-0.021	0.000	0.000	0.000
346	A	1591	ASN	0	0.012	0.007	67.167	0.002	0.002	0.000	0.000	0.000
347	A	1592	ASN	0	0.031	0.037	64.467	0.000	0.000	0.000	0.000	0.000
348	A	1593	LYS	1	0.894	0.981	64.868	-0.020	-0.020	0.000	0.000	0.000
349	A	1594	LEU	0	-0.075	-0.065	60.551	-0.001	-0.001	0.000	0.000	0.000
350	A	1595	LEU	0	-0.036	-0.029	61.859	0.001	0.001	0.000	0.000	0.000
351	A	1596	CYS	0	-0.044	-0.004	56.978	0.002	0.002	0.000	0.000	0.000
352	A	1597	TYR	0	-0.050	-0.038	52.217	0.000	0.000	0.000	0.000	0.000
353	A	1598	GLU	-1	-0.932	-0.971	58.900	0.021	0.021	0.000	0.000	0.000
354	A	1599	LYS	1	0.813	0.911	60.163	-0.022	-0.022	0.000	0.000	0.000
355	A	1600	ASP	-1	-0.800	-0.895	58.143	0.017	0.017	0.000	0.000	0.000
356	A	1601	ASN	0	-0.046	-0.038	60.699	0.000	0.000	0.000	0.000	0.000
357	A	1602	ASP	-1	-0.966	-0.970	60.427	0.012	0.012	0.000	0.000	0.000
358	A	1603	MET	0	-0.058	-0.002	55.048	-0.001	-0.001	0.000	0.000	0.000
359	A	1604	THR	0	-0.046	-0.029	53.506	-0.001	-0.001	0.000	0.000	0.000
360	A	1605	TRP	0	0.001	0.006	54.804	0.001	0.001	0.000	0.000	0.000
361	A	1606	SER	0	0.007	0.008	49.316	-0.001	-0.001	0.000	0.000	0.000
362	A	1607	LYS	1	0.943	0.972	43.367	-0.006	-0.006	0.000	0.000	0.000
363	A	1608	LYN	0	-0.009	-0.006	41.612	-0.001	-0.001	0.000	0.000	0.000
364	A	1609	TYR	0	-0.019	-0.023	42.626	-0.001	-0.001	0.000	0.000	0.000
365	A	1610	ILE	0	0.009	0.020	45.094	0.001	0.001	0.000	0.000	0.000
366	A	1611	LYS	1	0.790	0.888	44.696	-0.016	-0.016	0.000	0.000	0.000
367	A	1612	LYS	1	0.862	0.922	40.301	-0.030	-0.030	0.000	0.000	0.000
368	A	1613	LEU	0	0.023	0.010	41.470	-0.003	-0.003	0.000	0.000	0.000
369	A	1614	GLU	-1	-0.809	-0.894	45.046	0.019	0.019	0.000	0.000	0.000
370	A	1615	ASN	0	-0.026	-0.029	46.725	-0.003	-0.003	0.000	0.000	0.000
371	A	1616	GLY	0	0.059	0.025	44.919	0.000	0.000	0.000	0.000	0.000
372	A	1617	ARG	1	0.912	0.949	45.306	0.001	0.001	0.000	0.000	0.000
373	A	1618	SER	0	0.005	0.021	44.106	-0.001	-0.001	0.000	0.000	0.000
374	A	1619	LEU	0	0.038	0.021	45.798	-0.001	-0.001	0.000	0.000	0.000
375	A	1620	GLU	-1	-0.888	-0.939	44.109	0.004	0.004	0.000	0.000	0.000
376	A	1621	GLY	0	-0.027	-0.011	47.004	-0.002	-0.002	0.000	0.000	0.000
377	A	1622	VAL	0	-0.041	-0.026	50.171	0.000	0.000	0.000	0.000	0.000
378	A	1623	TYR	0	-0.009	-0.007	50.042	0.000	0.000	0.000	0.000	0.000
379	A	1624	VAL	0	-0.025	-0.015	50.771	0.000	0.000	0.000	0.000	0.000
380	A	1625	PRO	0	0.039	0.023	53.792	0.000	0.000	0.000	0.000	0.000
381	A	1626	PRO	0	0.125	0.049	56.457	0.002	0.002	0.000	0.000	0.000
382	A	1627	ARG	1	0.857	0.933	57.636	-0.014	-0.014	0.000	0.000	0.000
383	A	1628	ARG	1	0.792	0.924	51.975	-0.022	-0.022	0.000	0.000	0.000
384	A	1629	GLN	0	-0.015	-0.028	52.640	0.000	0.000	0.000	0.000	0.000
385	A	1630	GLN	0	-0.026	-0.003	54.428	0.003	0.003	0.000	0.000	0.000
386	A	1631	LEU	0	0.019	0.025	52.310	-0.001	-0.001	0.000	0.000	0.000
387	A	1633	LEU	0	-0.006	-0.011	52.695	0.001	0.001	0.000	0.000	0.000
388	A	1634	TYR	0	0.027	-0.004	53.340	0.001	0.001	0.000	0.000	0.000
389	A	1635	GLU	-1	-0.862	-0.959	53.902	0.038	0.038	0.000	0.000	0.000
390	A	1636	LEU	0	0.015	0.000	54.042	0.001	0.001	0.000	0.000	0.000
391	A	1637	PHE	0	-0.010	0.013	45.318	0.001	0.001	0.000	0.000	0.000
392	A	1638	PRO	0	0.035	0.020	50.314	0.002	0.002	0.000	0.000	0.000
393	A	1639	ILE	0	-0.046	-0.006	51.644	0.002	0.002	0.000	0.000	0.000
394	A	1640	ILE	0	-0.007	-0.006	48.484	0.001	0.001	0.000	0.000	0.000
395	A	1641	ILE	0	-0.021	0.008	46.519	0.002	0.002	0.000	0.000	0.000
396	A	1642	LYS	1	0.850	0.947	48.428	-0.041	-0.041	0.000	0.000	0.000
397	A	1643	ASN	0	-0.048	-0.026	50.553	0.002	0.002	0.000	0.000	0.000
398	A	1644	GLU	-1	-0.859	-0.913	44.113	0.070	0.070	0.000	0.000	0.000
399	A	1645	GLU	-1	-0.907	-0.955	48.069	0.050	0.050	0.000	0.000	0.000
400	A	1646	GLY	0	0.021	0.005	49.820	-0.002	-0.002	0.000	0.000	0.000
401	A	1647	MET	0	-0.020	-0.013	51.686	-0.002	-0.002	0.000	0.000	0.000
402	A	1648	GLU	-1	-0.911	-0.969	54.852	0.031	0.031	0.000	0.000	0.000
403	A	1649	LYS	1	0.978	0.974	56.876	-0.039	-0.039	0.000	0.000	0.000
404	A	1650	ALA	0	-0.010	0.015	53.418	0.000	0.000	0.000	0.000	0.000
405	A	1651	LYS	1	0.868	0.940	54.493	-0.037	-0.037	0.000	0.000	0.000
406	A	1652	GLU	-1	-0.890	-0.936	57.500	0.032	0.032	0.000	0.000	0.000
407	A	1653	GLU	-1	-0.841	-0.964	57.002	0.040	0.040	0.000	0.000	0.000
408	A	1654	LEU	0	-0.041	-0.012	54.197	0.000	0.000	0.000	0.000	0.000
409	A	1655	LEU	0	0.064	0.031	57.863	-0.001	-0.001	0.000	0.000	0.000
410	A	1656	GLU	-1	-0.823	-0.909	61.368	0.026	0.026	0.000	0.000	0.000
411	A	1657	THR	0	0.023	0.004	57.242	-0.001	-0.001	0.000	0.000	0.000
412	A	1658	LEU	0	-0.018	-0.008	58.061	-0.001	-0.001	0.000	0.000	0.000
413	A	1659	GLN	0	0.076	0.048	60.838	-0.002	-0.002	0.000	0.000	0.000
414	A	1660	ILE	0	0.024	0.019	62.332	-0.001	-0.001	0.000	0.000	0.000
415	A	1661	VAL	0	-0.050	-0.016	58.010	-0.001	-0.001	0.000	0.000	0.000
416	A	1662	ALA	0	0.001	-0.001	61.377	-0.001	-0.001	0.000	0.000	0.000
417	A	1663	GLU	-1	-0.860	-0.929	63.957	0.021	0.021	0.000	0.000	0.000
418	A	1664	ARG	1	0.891	0.926	59.975	-0.031	-0.031	0.000	0.000	0.000
419	A	1665	GLU	-1	-0.793	-0.909	61.170	0.020	0.020	0.000	0.000	0.000
420	A	1666	ALA	0	0.024	0.019	63.879	-0.001	-0.001	0.000	0.000	0.000
421	A	1667	TYR	0	-0.093	-0.049	67.312	-0.001	-0.001	0.000	0.000	0.000
422	A	1668	TYR	0	0.029	-0.002	64.456	-0.001	-0.001	0.000	0.000	0.000
423	A	1669	LEU	0	-0.036	0.002	63.710	-0.001	-0.001	0.000	0.000	0.000
424	A	1670	TRP	0	0.001	0.009	66.993	-0.001	-0.001	0.000	0.000	0.000
425	A	1671	LYS	1	0.901	0.956	68.936	-0.018	-0.018	0.000	0.000	0.000
426	A	1672	GLN	0	0.001	0.016	62.827	0.000	0.000	0.000	0.000	0.000
427	A	1673	TYR	0	0.009	-0.038	64.011	-0.001	-0.001	0.000	0.000	0.000
428	A	1674	ASN	0	0.005	0.008	70.270	-0.001	-0.001	0.000	0.000	0.000
429	A	1675	PRO	0	-0.043	-0.030	71.707	-0.001	-0.001	0.000	0.000	0.000
430	A	1676	THR	0	-0.018	0.012	69.664	-0.001	-0.001	0.000	0.000	0.000
431	A	1677	GLY	0	-0.063	-0.035	72.368	-0.001	-0.001	0.000	0.000	0.000
432	A	1678	LYS	1	0.916	0.967	73.037	-0.007	-0.007	0.000	0.000	0.000
433	A	1679	GLY	0	0.059	0.040	78.079	0.000	0.000	0.000	0.000	0.000
434	A	1680	ILE	0	0.088	0.034	79.435	0.000	0.000	0.000	0.000	0.000
435	A	1681	ASP	-1	-0.942	-0.968	79.783	0.009	0.009	0.000	0.000	0.000
436	A	1682	ASP	-1	-0.925	-0.978	76.918	0.007	0.007	0.000	0.000	0.000
437	A	1683	ALA	0	0.037	0.028	75.697	0.000	0.000	0.000	0.000	0.000
438	A	1684	ASN	0	0.059	0.014	74.543	0.000	0.000	0.000	0.000	0.000
439	A	1685	LYS	1	0.829	0.918	74.681	-0.008	-0.008	0.000	0.000	0.000
440	A	1686	LYS	1	0.902	0.939	70.599	-0.007	-0.007	0.000	0.000	0.000
441	A	1687	ALA	0	0.005	0.011	70.534	0.000	0.000	0.000	0.000	0.000
442	A	1688	CYS	0	-0.123	-0.056	70.187	0.001	0.001	0.000	0.000	0.000
443	A	1689	CYS	0	-0.038	-0.027	68.923	0.000	0.000	0.000	0.000	0.000
444	A	1690	ALA	0	0.044	0.049	65.787	0.000	0.000	0.000	0.000	0.000
445	A	1691	ILE	0	-0.008	-0.004	65.065	0.001	0.001	0.000	0.000	0.000
446	A	1692	ARG	1	0.876	0.932	65.977	-0.011	-0.011	0.000	0.000	0.000
447	A	1693	GLY	0	0.004	0.013	64.013	0.000	0.000	0.000	0.000	0.000
448	A	1694	SER	0	0.027	-0.003	61.269	0.000	0.000	0.000	0.000	0.000
449	A	1695	PHE	0	0.047	0.022	61.471	0.001	0.001	0.000	0.000	0.000
450	A	1696	TYR	0	-0.033	-0.036	62.396	0.000	0.000	0.000	0.000	0.000
451	A	1697	ASP	-1	-0.801	-0.895	57.896	0.016	0.016	0.000	0.000	0.000
452	A	1698	LEU	0	0.001	-0.002	57.391	0.001	0.001	0.000	0.000	0.000
453	A	1699	GLU	-1	-0.799	-0.903	58.109	0.017	0.017	0.000	0.000	0.000
454	A	1700	ASP	-1	-0.940	-0.989	56.139	0.016	0.016	0.000	0.000	0.000
455	A	1701	ILE	0	-0.023	-0.012	52.981	0.001	0.001	0.000	0.000	0.000
456	A	1702	ILE	0	0.004	0.009	53.367	0.002	0.002	0.000	0.000	0.000
457	A	1703	LYS	1	0.908	0.952	54.709	-0.016	-0.016	0.000	0.000	0.000
458	A	1704	GLY	0	0.030	0.031	51.979	0.000	0.000	0.000	0.000	0.000
459	A	1705	ASN	0	-0.100	-0.070	51.531	-0.001	-0.001	0.000	0.000	0.000
460	A	1706	ASP	-1	-0.809	-0.884	52.272	0.019	0.019	0.000	0.000	0.000
461	A	1707	LEU	0	-0.047	-0.033	50.467	0.000	0.000	0.000	0.000	0.000
462	A	1708	VAL	0	-0.010	-0.014	48.467	-0.001	-0.001	0.000	0.000	0.000
463	A	1709	HIS	0	0.033	0.051	45.034	0.002	0.002	0.000	0.000	0.000
464	A	1710	ASP	-1	-0.732	-0.893	45.092	0.032	0.032	0.000	0.000	0.000
465	A	1711	GLU	-1	-0.919	-0.969	44.888	0.043	0.043	0.000	0.000	0.000
466	A	1712	TYR	0	-0.067	-0.017	46.148	0.004	0.004	0.000	0.000	0.000
467	A	1713	THR	0	0.024	-0.024	48.035	0.002	0.002	0.000	0.000	0.000
468	A	1714	LYS	1	0.938	0.988	39.165	-0.046	-0.046	0.000	0.000	0.000
469	A	1715	TYR	0	0.013	0.009	42.754	0.000	0.000	0.000	0.000	0.000
470	A	1716	ILE	0	0.054	0.026	45.261	0.001	0.001	0.000	0.000	0.000
471	A	1717	ASP	-1	-0.856	-0.942	46.603	0.030	0.030	0.000	0.000	0.000
472	A	1718	SER	0	-0.062	-0.049	43.139	0.000	0.000	0.000	0.000	0.000
473	A	1719	LYS	1	0.881	0.946	45.180	-0.054	-0.054	0.000	0.000	0.000
474	A	1720	LEU	0	-0.037	-0.007	47.400	0.000	0.000	0.000	0.000	0.000
475	A	1721	ASN	0	0.021	-0.005	45.907	-0.003	-0.003	0.000	0.000	0.000
476	A	1722	GLU	-1	-0.873	-0.911	44.116	0.058	0.058	0.000	0.000	0.000
477	A	1723	ILE	0	-0.047	-0.028	47.359	0.000	0.000	0.000	0.000	0.000
478	A	1724	PHE	0	-0.061	-0.042	51.004	-0.001	-0.001	0.000	0.000	0.000
479	A	1725	GLY	0	0.034	0.027	49.628	-0.002	-0.002	0.000	0.000	0.000
480	A	1726	SER	0	-0.025	0.000	47.923	0.002	0.002	0.000	0.000	0.000
481	A	1727	SER	0	-0.021	-0.029	42.313	-0.001	-0.001	0.000	0.000	0.000
482	A	1728	ASP	-1	-0.938	-0.981	45.258	0.032	0.032	0.000	0.000	0.000
483	A	1729	THR	0	-0.022	0.013	47.770	-0.003	-0.003	0.000	0.000	0.000
484	A	1730	ASN	0	0.015	0.002	46.543	0.000	0.000	0.000	0.000	0.000
485	A	1731	ASP	-1	-0.892	-0.956	46.604	0.024	0.024	0.000	0.000	0.000
486	A	1732	ILE	0	-0.022	-0.012	48.469	-0.001	-0.001	0.000	0.000	0.000
487	A	1733	ASP	-1	-0.867	-0.939	51.771	0.022	0.022	0.000	0.000	0.000
488	A	1734	THR	0	-0.006	0.008	48.987	0.001	0.001	0.000	0.000	0.000
489	A	1735	LYS	1	0.866	0.935	49.449	-0.023	-0.023	0.000	0.000	0.000
490	A	1736	ARG	1	0.933	0.946	53.319	-0.018	-0.018	0.000	0.000	0.000
491	A	1737	ALA	0	0.048	0.052	54.217	0.000	0.000	0.000	0.000	0.000
492	A	1738	ARG	1	0.813	0.930	49.683	-0.030	-0.030	0.000	0.000	0.000
493	A	1739	THR	0	-0.035	-0.045	56.191	-0.001	-0.001	0.000	0.000	0.000
494	A	1740	ASP	-1	-0.903	-0.942	58.912	0.018	0.018	0.000	0.000	0.000
495	A	1741	TRP	0	0.004	0.003	58.828	0.000	0.000	0.000	0.000	0.000
496	A	1742	TRP	0	-0.055	-0.043	60.113	0.000	0.000	0.000	0.000	0.000
497	A	1743	GLU	-1	-0.900	-0.967	61.912	0.015	0.015	0.000	0.000	0.000
498	A	1744	ASN	0	-0.077	-0.036	64.125	0.000	0.000	0.000	0.000	0.000
499	A	1745	GLU	-1	-0.875	-0.959	65.893	0.024	0.024	0.000	0.000	0.000
500	A	1746	ALA	0	-0.018	0.015	67.146	0.000	0.000	0.000	0.000	0.000
501	A	1747	ILE	0	0.008	-0.018	67.929	-0.001	-0.001	0.000	0.000	0.000
502	A	1748	THR	0	-0.018	0.003	71.177	-0.001	-0.001	0.000	0.000	0.000
503	A	1749	ASN	0	-0.018	-0.002	74.805	0.000	0.000	0.000	0.000	0.000
504	A	1750	GLY	0	0.036	0.002	75.340	0.000	0.000	0.000	0.000	0.000
505	A	1751	PRO	0	0.002	0.015	71.165	-0.001	-0.001	0.000	0.000	0.000
506	A	1752	ASP	-1	-0.814	-0.879	72.546	0.019	0.019	0.000	0.000	0.000
507	A	1753	ARG	1	0.868	0.906	73.700	-0.018	-0.018	0.000	0.000	0.000
508	A	1754	LYS	1	0.815	0.912	71.204	-0.019	-0.019	0.000	0.000	0.000
509	A	1755	THR	0	0.068	0.043	67.610	0.001	0.001	0.000	0.000	0.000
510	A	1756	ILE	0	0.046	0.030	61.885	0.000	0.000	0.000	0.000	0.000
511	A	1757	ARG	1	0.822	0.930	64.916	-0.015	-0.015	0.000	0.000	0.000
512	A	1758	GLN	0	-0.013	-0.025	65.772	0.000	0.000	0.000	0.000	0.000
513	A	1759	LEU	0	0.029	0.016	67.106	0.000	0.000	0.000	0.000	0.000
514	A	1760	VAL	0	0.011	0.009	62.859	0.000	0.000	0.000	0.000	0.000
515	A	1761	TRP	0	-0.032	-0.025	66.187	0.000	0.000	0.000	0.000	0.000
516	A	1762	ASP	-1	-0.873	-0.944	68.958	0.017	0.017	0.000	0.000	0.000
517	A	1763	ALA	0	-0.043	-0.022	67.328	0.000	0.000	0.000	0.000	0.000
518	A	1764	MET	0	-0.021	-0.007	64.117	0.000	0.000	0.000	0.000	0.000
519	A	1765	GLN	0	-0.055	-0.026	69.093	0.000	0.000	0.000	0.000	0.000
520	A	1766	SER	0	-0.050	-0.022	71.342	-0.001	-0.001	0.000	0.000	0.000
521	A	1767	GLY	0	0.053	0.033	69.860	0.000	0.000	0.000	0.000	0.000
522	A	1768	VAL	0	-0.001	-0.003	70.868	0.000	0.000	0.000	0.000	0.000
523	A	1769	ARG	1	0.904	0.960	73.110	-0.016	-0.016	0.000	0.000	0.000
524	A	1770	TYR	0	0.008	0.001	71.402	-0.001	-0.001	0.000	0.000	0.000
525	A	1771	ALA	0	0.018	0.010	72.227	0.000	0.000	0.000	0.000	0.000
526	A	1772	VAL	0	-0.099	-0.055	74.180	0.000	0.000	0.000	0.000	0.000
527	A	1773	GLU	-1	-0.907	-0.934	77.573	0.015	0.015	0.000	0.000	0.000
528	A	1774	GLU	-1	-0.881	-0.952	73.435	0.018	0.018	0.000	0.000	0.000
529	A	1775	LYS	1	0.800	0.914	75.132	-0.015	-0.015	0.000	0.000	0.000
530	A	1776	ASN	0	-0.039	-0.013	79.661	-0.001	-0.001	0.000	0.000	0.000
531	A	1777	GLU	-1	-0.873	-0.939	78.863	0.012	0.012	0.000	0.000	0.000
532	A	1778	ASN	0	0.023	-0.002	82.096	0.001	0.001	0.000	0.000	0.000
533	A	1779	PHE	0	-0.002	-0.013	75.845	0.000	0.000	0.000	0.000	0.000
534	A	1780	PRO	0	-0.004	-0.004	76.678	-0.001	-0.001	0.000	0.000	0.000
535	A	1781	LEU	0	0.066	0.017	78.988	0.000	0.000	0.000	0.000	0.000
536	A	1783	MET	0	0.051	0.030	71.364	0.000	0.000	0.000	0.000	0.000
537	A	1784	GLY	0	-0.034	0.018	75.358	0.001	0.001	0.000	0.000	0.000
538	A	1785	VAL	0	-0.013	-0.025	75.474	-0.001	-0.001	0.000	0.000	0.000
539	A	1786	GLU	-1	-0.943	-0.955	74.969	0.014	0.014	0.000	0.000	0.000
540	A	1787	HIS	0	0.036	0.022	70.967	0.001	0.001	0.000	0.000	0.000
541	A	1788	ILE	0	0.015	0.016	68.546	-0.001	-0.001	0.000	0.000	0.000
542	A	1789	GLY	0	-0.015	-0.004	70.251	0.000	0.000	0.000	0.000	0.000
543	A	1790	ILE	0	0.047	0.015	65.671	0.001	0.001	0.000	0.000	0.000
544	A	1791	ALA	0	0.010	0.014	63.064	-0.001	-0.001	0.000	0.000	0.000
545	A	1792	LYS	1	0.923	0.978	63.847	-0.006	-0.006	0.000	0.000	0.000
546	A	1793	PRO	0	0.037	0.010	59.016	0.001	0.001	0.000	0.000	0.000
547	A	1794	GLN	0	0.088	0.021	55.130	-0.001	-0.001	0.000	0.000	0.000
548	A	1795	PHE	0	0.003	0.010	55.256	-0.001	-0.001	0.000	0.000	0.000
549	A	1796	ILE	0	0.011	-0.009	57.267	-0.001	-0.001	0.000	0.000	0.000
550	A	1797	ARG	1	0.798	0.911	59.126	-0.014	-0.014	0.000	0.000	0.000
551	A	1798	TRP	0	0.042	-0.016	53.171	-0.001	-0.001	0.000	0.000	0.000
552	A	1799	LEU	0	-0.040	-0.018	59.110	-0.001	-0.001	0.000	0.000	0.000
553	A	1800	GLU	-1	-0.821	-0.914	60.600	0.005	0.005	0.000	0.000	0.000
554	A	1801	GLU	-1	-0.852	-0.932	61.408	0.012	0.012	0.000	0.000	0.000
555	A	1802	TRP	0	-0.071	-0.050	57.568	-0.001	-0.001	0.000	0.000	0.000
556	A	1803	THR	0	-0.048	-0.045	61.584	-0.001	-0.001	0.000	0.000	0.000
557	A	1804	ASN	0	0.034	0.007	64.570	-0.001	-0.001	0.000	0.000	0.000
558	A	1805	GLU	-1	-0.896	-0.936	61.557	0.008	0.008	0.000	0.000	0.000
559	A	1806	PHE	0	-0.011	-0.011	62.470	0.000	0.000	0.000	0.000	0.000
560	A	1807	CYS	0	-0.003	0.001	64.847	-0.001	-0.001	0.000	0.000	0.000
561	A	1808	GLU	-1	-0.793	-0.891	68.528	0.005	0.005	0.000	0.000	0.000
562	A	1809	LYS	1	0.921	0.961	62.609	-0.007	-0.007	0.000	0.000	0.000
563	A	1810	TYR	0	0.012	-0.003	66.351	-0.001	-0.001	0.000	0.000	0.000
564	A	1811	THR	0	-0.042	-0.045	68.092	-0.001	-0.001	0.000	0.000	0.000
565	A	1812	LYS	1	0.976	1.023	66.934	-0.005	-0.005	0.000	0.000	0.000
566	A	1813	TYR	0	-0.003	-0.018	64.229	0.000	0.000	0.000	0.000	0.000
567	A	1814	PHE	0	0.002	0.000	69.161	0.000	0.000	0.000	0.000	0.000
568	A	1815	GLU	-1	-0.929	-0.962	70.702	0.002	0.002	0.000	0.000	0.000
569	A	1816	ASP	-1	-0.856	-0.939	72.083	0.003	0.003	0.000	0.000	0.000
570	A	1817	MET	0	-0.095	-0.039	69.632	0.000	0.000	0.000	0.000	0.000
571	A	1818	LYS	1	0.908	0.948	72.300	-0.001	-0.001	0.000	0.000	0.000
572	A	1819	SER	0	-0.038	-0.024	75.085	0.000	0.000	0.000	0.000	0.000
573	A	1820	LYS	1	0.871	0.948	71.844	-0.002	-0.002	0.000	0.000	0.000
574	A	1821	CYS	0	-0.007	0.013	71.429	0.000	0.000	0.000	0.000	0.000
575	A	1836	ILE	0	0.088	0.024	71.474	0.000	0.000	0.000	0.000	0.000
576	A	1837	GLU	-1	-0.779	-0.886	71.390	0.001	0.001	0.000	0.000	0.000
577	A	1839	LYS	1	0.942	0.975	65.717	0.006	0.006	0.000	0.000	0.000
578	A	1840	LYS	1	0.931	0.955	66.375	-0.001	-0.001	0.000	0.000	0.000
579	A	1841	ALA	0	0.010	0.018	66.614	0.001	0.001	0.000	0.000	0.000
580	A	1842	CYS	0	-0.023	-0.027	66.158	0.000	0.000	0.000	0.000	0.000
581	A	1843	ALA	0	0.006	0.011	62.584	0.000	0.000	0.000	0.000	0.000
582	A	1844	ASN	0	-0.002	0.003	62.027	0.001	0.001	0.000	0.000	0.000
583	A	1845	TYR	0	0.027	0.006	62.943	0.001	0.001	0.000	0.000	0.000
584	A	1846	ALA	0	0.008	-0.009	61.091	0.000	0.000	0.000	0.000	0.000
585	A	1847	ASN	0	-0.022	-0.003	57.763	-0.001	-0.001	0.000	0.000	0.000
586	A	1848	TRP	0	0.003	0.008	58.271	0.000	0.000	0.000	0.000	0.000
587	A	1849	LEU	0	0.026	-0.005	59.343	0.000	0.000	0.000	0.000	0.000
588	A	1850	ASN	0	-0.031	-0.007	55.625	-0.001	-0.001	0.000	0.000	0.000
589	A	1851	PRO	0	0.047	0.013	54.135	-0.001	-0.001	0.000	0.000	0.000
590	A	1852	LYS	1	0.916	0.992	55.262	-0.005	-0.005	0.000	0.000	0.000
591	A	1853	ARG	1	0.931	0.978	56.291	0.006	0.006	0.000	0.000	0.000
592	A	1854	ILE	0	-0.036	-0.009	50.467	-0.001	-0.001	0.000	0.000	0.000
593	A	1855	GLU	-1	-0.787	-0.893	53.185	0.005	0.005	0.000	0.000	0.000
594	A	1856	TRP	0	0.003	0.003	54.781	0.000	0.000	0.000	0.000	0.000
595	A	1857	ASN	0	-0.030	-0.003	52.359	0.000	0.000	0.000	0.000	0.000
596	A	1858	GLY	0	0.039	0.023	51.972	-0.001	-0.001	0.000	0.000	0.000
597	A	1859	MET	0	0.052	0.047	52.728	0.000	0.000	0.000	0.000	0.000
598	A	1860	SER	0	-0.049	-0.044	55.582	0.000	0.000	0.000	0.000	0.000
599	A	1861	ASN	0	-0.019	-0.026	52.083	-0.002	-0.002	0.000	0.000	0.000
600	A	1862	TYR	0	-0.012	0.011	50.441	-0.001	-0.001	0.000	0.000	0.000
601	A	1863	TYR	0	0.008	0.002	53.909	0.000	0.000	0.000	0.000	0.000
602	A	1864	ASN	0	-0.009	-0.018	56.357	0.000	0.000	0.000	0.000	0.000
603	A	1865	LYS	1	0.819	0.929	47.425	0.004	0.004	0.000	0.000	0.000
604	A	1866	ILE	0	-0.028	-0.022	53.039	-0.001	-0.001	0.000	0.000	0.000
605	A	1867	TYR	0	-0.007	-0.007	55.474	0.001	0.001	0.000	0.000	0.000
606	A	1868	ARG	1	0.912	0.952	58.308	0.005	0.005	0.000	0.000	0.000
607	A	1869	LYS	1	0.922	0.977	53.640	0.009	0.009	0.000	0.000	0.000
608	A	1870	SER	0	0.041	0.032	54.072	0.001	0.001	0.000	0.000	0.000
609	A	1882	MET	0	-0.048	-0.035	59.384	0.000	0.000	0.000	0.000	0.000
610	A	1883	ILE	0	0.023	0.003	58.055	0.001	0.001	0.000	0.000	0.000
611	A	1884	MET	0	-0.012	-0.006	62.586	0.001	0.001	0.000	0.000	0.000
612	A	1885	ALA	0	0.071	0.054	62.917	0.001	0.001	0.000	0.000	0.000
613	A	1886	PRO	0	-0.007	-0.003	64.956	-0.001	-0.001	0.000	0.000	0.000
614	A	1887	THR	0	-0.017	-0.022	63.938	0.000	0.000	0.000	0.000	0.000
615	A	1888	VAL	0	0.055	0.036	60.025	0.001	0.001	0.000	0.000	0.000
616	A	1889	ILE	0	0.005	0.016	63.235	0.001	0.001	0.000	0.000	0.000
617	A	1890	ASP	-1	-0.847	-0.947	66.230	-0.003	-0.003	0.000	0.000	0.000
618	A	1891	TYR	0	-0.023	-0.016	64.763	0.001	0.001	0.000	0.000	0.000
619	A	1892	LEU	0	0.056	0.002	63.242	0.001	0.001	0.000	0.000	0.000
620	A	1893	ASN	0	-0.018	-0.013	67.597	0.001	0.001	0.000	0.000	0.000
621	A	1894	LYS	1	0.828	0.933	70.952	0.002	0.002	0.000	0.000	0.000
622	A	1895	ARG	1	0.812	0.913	67.637	-0.004	-0.004	0.000	0.000	0.000
623	A	1896	CYS	0	-0.023	-0.003	68.643	0.001	0.001	0.000	0.000	0.000
624	A	1897	HIS	0	-0.079	-0.031	71.740	0.000	0.000	0.000	0.000	0.000
625	A	1898	GLY	0	0.045	0.028	75.264	0.000	0.000	0.000	0.000	0.000
626	A	1899	GLU	-1	-0.894	-0.951	76.030	0.004	0.004	0.000	0.000	0.000
627	A	1900	ILE	0	-0.013	0.019	71.310	0.000	0.000	0.000	0.000	0.000
628	A	1901	ASN	0	-0.010	-0.013	74.981	0.001	0.001	0.000	0.000	0.000
629	A	1902	GLY	0	0.046	0.009	74.276	0.000	0.000	0.000	0.000	0.000
630	A	1903	ASN	0	0.013	-0.016	72.668	0.001	0.001	0.000	0.000	0.000
631	A	1904	TYR	0	0.006	0.017	65.830	-0.001	-0.001	0.000	0.000	0.000
632	A	1905	ILE	0	-0.021	-0.017	71.024	-0.001	-0.001	0.000	0.000	0.000
633	A	1908	SER	0	0.003	0.013	70.343	0.000	0.000	0.000	0.000	0.000
634	A	1910	LYS	1	0.932	0.992	72.679	-0.002	-0.002	0.000	0.000	0.000
635	A	1911	ASN	0	-0.011	-0.023	72.578	0.000	0.000	0.000	0.000	0.000
636	A	1912	ILE	0	0.021	0.027	71.924	0.000	0.000	0.000	0.000	0.000
637	A	1913	GLY	0	0.098	0.029	68.203	0.000	0.000	0.000	0.000	0.000
638	A	1914	ALA	0	-0.048	-0.035	67.667	-0.001	-0.001	0.000	0.000	0.000
639	A	1915	TYR	0	0.006	0.017	69.254	-0.001	-0.001	0.000	0.000	0.000
640	A	1916	GLN	0	0.031	0.018	62.895	0.000	0.000	0.000	0.000	0.000
641	A	1917	THR	0	0.024	0.010	62.099	0.000	0.000	0.000	0.000	0.000
642	A	1918	THR	0	-0.006	0.010	62.701	-0.001	-0.001	0.000	0.000	0.000
643	A	1919	SER	0	-0.025	-0.003	64.344	0.000	0.000	0.000	0.000	0.000
644	A	1920	GLY	0	0.003	-0.004	61.124	0.000	0.000	0.000	0.000	0.000
645	A	1921	THR	0	-0.080	-0.063	58.394	-0.001	-0.001	0.000	0.000	0.000
646	A	1922	VAL	0	0.004	0.018	57.305	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)