FMO DATABASE

FMODB ID: 1N1KZ

Calculation Name: 1MI1-A-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 1MI1

Chain ID: A

ChEMBL ID:

UniProt ID: Q8NFP9

Base Structure: X-ray

Registration Date: 2023-09-24

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

DOI:

IFIE MAP

IFIE Diagram

Modeling method

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

FMO calculation

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

Total energy (hartree)

FMO2-HF: Electronic energy	-7818431.1983
FMO2-HF: Nuclear repulsion	7652277.941288
FMO2-HF: Total energy	-166153.257012
FMO2-MP2: Total energy	-166644.394045

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:2140:GLY)

Summations of interaction energy for fragment #1(A:2140:GLY)

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.
-0.565	2.066	1.446	-1.747	-2.333	-0.006

Interaction energy analysis for fragmet #1(A:2140:GLY)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.044 / q_NPA : 0.023

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	2142	VAL	0	0.013	0.007	3.884	0.392	1.549	-0.004	-0.544	-0.610	0.002
4	A	2143	VAL	0	-0.030	-0.002	5.661	0.961	0.961	0.000	0.000	0.000	0.000
5	A	2144	LEU	0	-0.028	-0.009	8.411	0.413	0.413	0.000	0.000	0.000	0.000
6	A	2145	SER	0	-0.048	-0.042	9.049	-0.225	-0.225	0.000	0.000	0.000	0.000
7	A	2146	THR	0	-0.027	-0.028	11.220	0.096	0.096	0.000	0.000	0.000	0.000
8	A	2147	PRO	0	0.032	0.028	14.654	0.004	0.004	0.000	0.000	0.000	0.000
9	A	2148	ALA	0	-0.033	-0.013	16.174	-0.004	-0.004	0.000	0.000	0.000	0.000
10	A	2149	GLN	0	0.058	0.039	18.060	0.007	0.007	0.000	0.000	0.000	0.000
11	A	2150	LEU	0	0.006	0.015	17.775	-0.002	-0.002	0.000	0.000	0.000	0.000
12	A	2151	ILE	0	-0.053	-0.036	20.019	0.006	0.006	0.000	0.000	0.000	0.000
13	A	2152	ALA	0	0.049	0.021	22.495	0.007	0.007	0.000	0.000	0.000	0.000
14	A	2153	PRO	0	0.014	0.001	24.431	-0.005	-0.005	0.000	0.000	0.000	0.000
15	A	2154	VAL	0	0.005	0.008	27.305	0.000	0.000	0.000	0.000	0.000	0.000
16	A	2155	VAL	0	-0.015	-0.004	23.570	-0.002	-0.002	0.000	0.000	0.000	0.000
17	A	2156	VAL	0	0.002	0.010	24.453	-0.007	-0.007	0.000	0.000	0.000	0.000
18	A	2157	ALA	0	-0.011	0.000	21.453	0.001	0.001	0.000	0.000	0.000	0.000
19	A	2158	LYS	1	0.865	0.915	20.892	0.132	0.132	0.000	0.000	0.000	0.000
20	A	2159	GLY	0	0.076	0.030	17.126	0.028	0.028	0.000	0.000	0.000	0.000
21	A	2160	THR	0	-0.051	-0.011	11.937	-0.031	-0.031	0.000	0.000	0.000	0.000
22	A	2161	LEU	0	0.009	0.015	11.517	0.006	0.006	0.000	0.000	0.000	0.000
23	A	2162	SER	0	-0.004	-0.010	7.097	-0.180	-0.180	0.000	0.000	0.000	0.000
24	A	2163	ILE	0	-0.007	-0.004	7.317	0.285	0.285	0.000	0.000	0.000	0.000
25	A	2164	THR	0	0.020	0.023	2.428	-4.394	-3.183	1.452	-1.168	-1.495	-0.008
26	A	2165	THR	0	-0.018	-0.030	4.235	0.830	0.985	-0.001	-0.027	-0.128	0.000
27	A	2166	THR	0	-0.013	-0.030	5.253	0.285	0.285	0.000	0.000	0.000	0.000
28	A	2167	GLU	-1	-0.824	-0.883	5.349	3.744	3.744	0.000	0.000	0.000	0.000
29	A	2168	ILE	0	-0.015	0.004	6.827	-0.564	-0.564	0.000	0.000	0.000	0.000
30	A	2169	TYR	0	0.000	-0.025	4.281	0.219	0.327	-0.001	-0.008	-0.100	0.000
31	A	2170	PHE	0	-0.039	-0.020	9.079	-0.170	-0.170	0.000	0.000	0.000	0.000
32	A	2171	GLU	-1	-0.814	-0.869	11.250	0.045	0.045	0.000	0.000	0.000	0.000
33	A	2172	VAL	0	0.028	0.007	13.834	-0.054	-0.054	0.000	0.000	0.000	0.000
34	A	2173	ASP	-1	-0.898	-0.951	17.447	-0.220	-0.220	0.000	0.000	0.000	0.000
35	A	2174	GLU	-1	-0.890	-0.944	18.457	-0.007	-0.007	0.000	0.000	0.000	0.000
36	A	2175	ASP	-1	-0.832	-0.910	21.249	-0.098	-0.098	0.000	0.000	0.000	0.000
37	A	2176	ASP	-1	-0.781	-0.866	23.134	-0.121	-0.121	0.000	0.000	0.000	0.000
38	A	2177	SER	0	-0.019	-0.009	25.043	0.019	0.019	0.000	0.000	0.000	0.000
39	A	2178	ALA	0	-0.044	-0.016	27.573	0.012	0.012	0.000	0.000	0.000	0.000
40	A	2179	PHE	0	0.084	0.029	22.184	0.009	0.009	0.000	0.000	0.000	0.000
41	A	2180	LYS	1	0.796	0.881	25.384	0.104	0.104	0.000	0.000	0.000	0.000
42	A	2181	LYS	1	0.846	0.921	27.906	0.077	0.077	0.000	0.000	0.000	0.000
43	A	2182	ILE	0	-0.044	-0.005	25.855	0.005	0.005	0.000	0.000	0.000	0.000
44	A	2183	ASP	-1	-0.772	-0.866	28.976	0.016	0.016	0.000	0.000	0.000	0.000
45	A	2184	THR	0	0.022	-0.005	26.833	0.002	0.002	0.000	0.000	0.000	0.000
46	A	2185	LYS	1	0.857	0.920	27.855	-0.026	-0.026	0.000	0.000	0.000	0.000
47	A	2186	VAL	0	0.010	0.005	28.098	0.006	0.006	0.000	0.000	0.000	0.000
48	A	2187	LEU	0	-0.024	-0.019	23.811	0.004	0.004	0.000	0.000	0.000	0.000
49	A	2188	ALA	0	-0.043	-0.019	24.075	0.009	0.009	0.000	0.000	0.000	0.000
50	A	2189	TYR	0	-0.044	-0.017	25.404	0.016	0.016	0.000	0.000	0.000	0.000
51	A	2190	THR	0	-0.035	-0.006	21.755	-0.010	-0.010	0.000	0.000	0.000	0.000
52	A	2191	GLU	-1	-0.888	-0.951	18.969	0.078	0.078	0.000	0.000	0.000	0.000
53	A	2192	GLY	0	-0.039	-0.043	15.816	-0.027	-0.027	0.000	0.000	0.000	0.000
54	A	2193	LEU	0	-0.022	-0.010	15.477	-0.036	-0.036	0.000	0.000	0.000	0.000
55	A	2194	HIS	1	0.807	0.871	14.065	-0.034	-0.034	0.000	0.000	0.000	0.000
56	A	2195	GLY	0	-0.011	0.020	13.179	0.097	0.097	0.000	0.000	0.000	0.000
57	A	2196	LYS	1	0.859	0.918	6.682	-2.564	-2.564	0.000	0.000	0.000	0.000
58	A	2197	TRP	0	0.020	0.001	9.975	0.069	0.069	0.000	0.000	0.000	0.000
59	A	2198	MET	0	0.045	0.022	9.749	-0.045	-0.045	0.000	0.000	0.000	0.000
60	A	2199	PHE	0	0.018	-0.017	9.709	-0.069	-0.069	0.000	0.000	0.000	0.000
61	A	2200	SER	0	-0.031	-0.036	11.965	-0.030	-0.030	0.000	0.000	0.000	0.000
62	A	2201	GLU	-1	-0.850	-0.888	14.245	0.378	0.378	0.000	0.000	0.000	0.000
63	A	2202	ILE	0	0.003	0.014	13.274	-0.045	-0.045	0.000	0.000	0.000	0.000
64	A	2203	ARG	1	0.782	0.866	16.839	-0.170	-0.170	0.000	0.000	0.000	0.000
65	A	2204	ALA	0	-0.030	-0.010	20.492	-0.008	-0.008	0.000	0.000	0.000	0.000
66	A	2205	VAL	0	0.008	0.010	17.825	-0.002	-0.002	0.000	0.000	0.000	0.000
67	A	2206	PHE	0	0.005	0.004	20.866	0.000	0.000	0.000	0.000	0.000	0.000
68	A	2207	SER	0	0.012	-0.017	23.028	-0.019	-0.019	0.000	0.000	0.000	0.000
69	A	2208	ARG	1	0.780	0.883	24.534	0.085	0.085	0.000	0.000	0.000	0.000
70	A	2209	ARG	1	0.874	0.933	26.297	0.066	0.066	0.000	0.000	0.000	0.000
71	A	2210	TYR	0	0.030	0.022	26.414	0.004	0.004	0.000	0.000	0.000	0.000
72	A	2211	LEU	0	0.052	0.036	28.460	-0.006	-0.006	0.000	0.000	0.000	0.000
73	A	2212	LEU	0	0.017	0.011	31.900	-0.004	-0.004	0.000	0.000	0.000	0.000
74	A	2213	GLN	0	0.012	0.020	28.984	-0.007	-0.007	0.000	0.000	0.000	0.000
75	A	2214	ASN	0	-0.050	-0.026	27.329	0.008	0.008	0.000	0.000	0.000	0.000
76	A	2215	THR	0	-0.029	-0.043	24.619	-0.006	-0.006	0.000	0.000	0.000	0.000
77	A	2216	ALA	0	0.030	0.021	22.401	-0.023	-0.023	0.000	0.000	0.000	0.000
78	A	2217	LEU	0	-0.060	-0.031	17.555	0.000	0.000	0.000	0.000	0.000	0.000
79	A	2218	GLU	-1	-0.718	-0.802	20.809	-0.037	-0.037	0.000	0.000	0.000	0.000
80	A	2219	VAL	0	-0.051	-0.023	15.646	-0.005	-0.005	0.000	0.000	0.000	0.000
81	A	2220	PHE	0	0.043	0.016	19.039	0.020	0.020	0.000	0.000	0.000	0.000
82	A	2221	MET	0	0.029	0.020	14.796	-0.005	-0.005	0.000	0.000	0.000	0.000
83	A	2222	ALA	0	-0.021	-0.020	19.060	-0.012	-0.012	0.000	0.000	0.000	0.000
84	A	2223	ASN	0	-0.029	-0.018	20.093	-0.018	-0.018	0.000	0.000	0.000	0.000
85	A	2224	ARG	1	0.928	0.950	22.557	-0.079	-0.079	0.000	0.000	0.000	0.000
86	A	2225	THR	0	0.059	0.060	20.210	-0.022	-0.022	0.000	0.000	0.000	0.000
87	A	2226	SER	0	-0.037	-0.048	20.747	0.007	0.007	0.000	0.000	0.000	0.000
88	A	2227	VAL	0	0.051	0.053	16.323	0.002	0.002	0.000	0.000	0.000	0.000
89	A	2228	MET	0	-0.025	-0.010	19.707	-0.014	-0.014	0.000	0.000	0.000	0.000
90	A	2229	PHE	0	0.022	0.014	15.074	-0.011	-0.011	0.000	0.000	0.000	0.000
91	A	2230	ASN	0	0.040	0.015	19.687	0.001	0.001	0.000	0.000	0.000	0.000
92	A	2231	PHE	0	-0.022	-0.024	15.878	-0.034	-0.034	0.000	0.000	0.000	0.000
93	A	2232	PRO	0	0.046	0.021	20.272	0.025	0.025	0.000	0.000	0.000	0.000
94	A	2233	ASP	-1	-0.705	-0.823	22.030	-0.325	-0.325	0.000	0.000	0.000	0.000
95	A	2234	GLN	0	0.051	0.013	22.542	-0.027	-0.027	0.000	0.000	0.000	0.000
96	A	2235	ALA	0	-0.021	-0.001	22.970	-0.009	-0.009	0.000	0.000	0.000	0.000
97	A	2236	THR	0	-0.011	-0.035	17.341	-0.050	-0.050	0.000	0.000	0.000	0.000
98	A	2237	VAL	0	0.037	0.047	18.241	-0.039	-0.039	0.000	0.000	0.000	0.000
99	A	2238	LYS	1	0.934	0.971	19.164	0.236	0.236	0.000	0.000	0.000	0.000
100	A	2239	LYS	1	0.806	0.889	16.353	0.418	0.418	0.000	0.000	0.000	0.000
101	A	2240	VAL	0	0.063	0.044	14.198	-0.053	-0.053	0.000	0.000	0.000	0.000
102	A	2241	VAL	0	0.019	0.011	15.037	-0.004	-0.004	0.000	0.000	0.000	0.000
103	A	2242	TYR	0	-0.103	-0.073	17.173	0.063	0.063	0.000	0.000	0.000	0.000
104	A	2243	SER	0	-0.038	-0.011	11.420	-0.018	-0.018	0.000	0.000	0.000	0.000
105	A	2244	LEU	0	0.053	0.039	12.041	-0.017	-0.017	0.000	0.000	0.000	0.000
106	A	2245	PRO	0	0.035	0.035	12.637	0.008	0.008	0.000	0.000	0.000	0.000
107	A	2246	ARG	1	0.849	0.924	15.299	0.055	0.055	0.000	0.000	0.000	0.000
108	A	2247	VAL	0	-0.001	0.001	18.228	0.011	0.011	0.000	0.000	0.000	0.000
109	A	2248	GLY	0	-0.022	0.002	20.652	0.013	0.013	0.000	0.000	0.000	0.000
110	A	2249	VAL	0	0.053	0.021	22.433	0.000	0.000	0.000	0.000	0.000	0.000
111	A	2250	GLY	0	0.046	0.036	24.518	0.009	0.009	0.000	0.000	0.000	0.000
112	A	2251	THR	0	-0.022	-0.025	25.486	-0.005	-0.005	0.000	0.000	0.000	0.000
113	A	2252	SER	0	0.005	0.003	28.500	-0.001	-0.001	0.000	0.000	0.000	0.000
114	A	2253	TYR	0	0.066	0.017	29.326	0.003	0.003	0.000	0.000	0.000	0.000
115	A	2254	GLY	0	0.022	0.015	32.203	-0.004	-0.004	0.000	0.000	0.000	0.000
116	A	2255	LEU	0	-0.031	0.007	29.800	-0.004	-0.004	0.000	0.000	0.000	0.000
117	A	2256	PRO	0	-0.012	-0.013	28.653	0.004	0.004	0.000	0.000	0.000	0.000
118	A	2257	GLN	0	0.041	0.027	23.051	-0.003	-0.003	0.000	0.000	0.000	0.000
119	A	2258	ALA	0	-0.009	-0.017	23.325	-0.004	-0.004	0.000	0.000	0.000	0.000
120	A	2259	ARG	1	0.884	0.927	15.542	0.290	0.290	0.000	0.000	0.000	0.000
121	A	2260	ARG	1	0.965	0.980	22.550	0.087	0.087	0.000	0.000	0.000	0.000
122	A	2261	ILE	0	-0.017	-0.007	25.857	0.001	0.001	0.000	0.000	0.000	0.000
123	A	2262	SER	0	0.023	0.006	22.172	0.005	0.005	0.000	0.000	0.000	0.000
124	A	2263	LEU	0	-0.019	0.009	22.146	-0.010	-0.010	0.000	0.000	0.000	0.000
125	A	2264	ALA	0	-0.055	-0.002	25.724	0.001	0.001	0.000	0.000	0.000	0.000
126	A	2265	THR	0	0.024	-0.013	29.393	0.003	0.003	0.000	0.000	0.000	0.000
127	A	2266	PRO	0	0.083	0.030	31.480	0.005	0.005	0.000	0.000	0.000	0.000
128	A	2267	ARG	1	1.005	1.013	33.457	0.065	0.065	0.000	0.000	0.000	0.000
129	A	2268	GLN	0	-0.031	0.010	33.174	0.001	0.001	0.000	0.000	0.000	0.000
130	A	2269	LEU	0	0.003	0.010	29.042	0.006	0.006	0.000	0.000	0.000	0.000
131	A	2270	TYR	0	0.013	-0.003	33.161	0.006	0.006	0.000	0.000	0.000	0.000
132	A	2271	LYS	1	0.930	0.968	36.454	0.039	0.039	0.000	0.000	0.000	0.000
133	A	2272	SER	0	-0.076	-0.050	34.006	0.001	0.001	0.000	0.000	0.000	0.000
134	A	2273	SER	0	-0.020	-0.013	34.345	0.003	0.003	0.000	0.000	0.000	0.000
135	A	2274	ASN	0	0.004	-0.006	35.616	0.001	0.001	0.000	0.000	0.000	0.000
136	A	2275	MET	0	0.008	0.027	34.858	0.004	0.004	0.000	0.000	0.000	0.000
137	A	2276	THR	0	0.067	0.054	37.969	0.003	0.003	0.000	0.000	0.000	0.000
138	A	2277	GLN	0	0.016	0.008	41.278	0.000	0.000	0.000	0.000	0.000	0.000
139	A	2278	ARG	1	0.823	0.905	35.406	-0.012	-0.012	0.000	0.000	0.000	0.000
140	A	2279	TRP	0	-0.007	-0.004	41.065	0.002	0.002	0.000	0.000	0.000	0.000
141	A	2280	GLN	0	-0.051	-0.039	42.630	0.001	0.001	0.000	0.000	0.000	0.000
142	A	2281	ARG	1	0.827	0.900	42.718	-0.005	-0.005	0.000	0.000	0.000	0.000
143	A	2282	ARG	1	0.774	0.844	45.228	-0.005	-0.005	0.000	0.000	0.000	0.000
144	A	2283	GLU	-1	-0.817	-0.885	40.534	0.016	0.016	0.000	0.000	0.000	0.000
145	A	2284	ILE	0	-0.050	-0.009	36.946	0.003	0.003	0.000	0.000	0.000	0.000
146	A	2285	SER	0	-0.025	-0.059	39.574	-0.004	-0.004	0.000	0.000	0.000	0.000
147	A	2286	ASN	0	-0.008	-0.044	40.817	-0.004	-0.004	0.000	0.000	0.000	0.000
148	A	2287	PHE	0	0.014	0.011	35.499	-0.003	-0.003	0.000	0.000	0.000	0.000
149	A	2288	GLU	-1	-0.812	-0.869	35.898	0.024	0.024	0.000	0.000	0.000	0.000
150	A	2289	TYR	0	-0.017	-0.027	36.205	-0.004	-0.004	0.000	0.000	0.000	0.000
151	A	2290	LEU	0	0.026	0.022	37.738	-0.005	-0.005	0.000	0.000	0.000	0.000
152	A	2291	MET	0	0.041	0.037	32.278	-0.006	-0.006	0.000	0.000	0.000	0.000
153	A	2292	PHE	0	-0.044	-0.010	33.053	-0.006	-0.006	0.000	0.000	0.000	0.000
154	A	2293	LEU	0	-0.008	-0.002	33.518	-0.007	-0.007	0.000	0.000	0.000	0.000
155	A	2294	ASN	0	0.019	-0.015	33.923	-0.010	-0.010	0.000	0.000	0.000	0.000
156	A	2295	THR	0	-0.009	-0.015	28.397	-0.005	-0.005	0.000	0.000	0.000	0.000
157	A	2296	ILE	0	-0.070	-0.031	29.667	-0.010	-0.010	0.000	0.000	0.000	0.000
158	A	2297	ALA	0	-0.010	-0.003	31.722	-0.009	-0.009	0.000	0.000	0.000	0.000
159	A	2298	GLY	0	-0.012	0.005	29.482	-0.004	-0.004	0.000	0.000	0.000	0.000
160	A	2299	ARG	1	0.820	0.925	29.682	0.038	0.038	0.000	0.000	0.000	0.000
161	A	2300	THR	0	-0.053	-0.066	25.895	0.003	0.003	0.000	0.000	0.000	0.000
162	A	2301	TYR	0	0.001	-0.012	27.823	-0.003	-0.003	0.000	0.000	0.000	0.000
163	A	2302	ASN	0	-0.040	-0.038	23.141	0.004	0.004	0.000	0.000	0.000	0.000
164	A	2303	ASP	-1	-0.730	-0.861	26.383	-0.077	-0.077	0.000	0.000	0.000	0.000
165	A	2304	LEU	0	0.015	0.015	28.933	0.002	0.002	0.000	0.000	0.000	0.000
166	A	2305	ASN	0	-0.053	-0.034	31.289	0.006	0.006	0.000	0.000	0.000	0.000
167	A	2306	GLN	0	-0.131	-0.097	29.274	-0.004	-0.004	0.000	0.000	0.000	0.000
168	A	2307	TYR	0	0.048	0.009	31.657	0.001	0.001	0.000	0.000	0.000	0.000
169	A	2308	PRO	0	-0.052	-0.025	32.013	-0.002	-0.002	0.000	0.000	0.000	0.000
170	A	2309	VAL	0	0.003	0.001	34.947	0.002	0.002	0.000	0.000	0.000	0.000
171	A	2310	PHE	0	-0.013	-0.015	36.994	0.001	0.001	0.000	0.000	0.000	0.000
172	A	2311	PRO	0	0.020	0.025	41.383	-0.001	-0.001	0.000	0.000	0.000	0.000
173	A	2312	TRP	0	0.017	0.005	45.213	0.004	0.004	0.000	0.000	0.000	0.000
174	A	2313	VAL	0	0.008	-0.001	46.757	-0.001	-0.001	0.000	0.000	0.000	0.000
175	A	2314	LEU	0	0.020	0.021	49.304	0.000	0.000	0.000	0.000	0.000	0.000
176	A	2315	THR	0	-0.022	-0.001	52.272	-0.001	-0.001	0.000	0.000	0.000	0.000
177	A	2316	ASN	0	-0.016	-0.011	55.125	0.000	0.000	0.000	0.000	0.000	0.000
178	A	2317	TYR	0	-0.001	-0.026	50.389	0.002	0.002	0.000	0.000	0.000	0.000
179	A	2318	GLU	-1	-0.790	-0.863	55.448	0.004	0.004	0.000	0.000	0.000	0.000
180	A	2319	SER	0	-0.066	-0.041	58.948	0.000	0.000	0.000	0.000	0.000	0.000
181	A	2320	GLU	-1	-0.806	-0.915	58.873	0.017	0.017	0.000	0.000	0.000	0.000
182	A	2321	GLU	-1	-0.955	-0.966	59.036	0.016	0.016	0.000	0.000	0.000	0.000
183	A	2322	LEU	0	-0.016	-0.006	53.729	-0.002	-0.002	0.000	0.000	0.000	0.000
184	A	2323	ASP	-1	-0.760	-0.857	57.245	0.011	0.011	0.000	0.000	0.000	0.000
185	A	2324	LEU	0	-0.027	-0.013	52.626	-0.001	-0.001	0.000	0.000	0.000	0.000
186	A	2325	THR	0	-0.083	-0.072	56.464	0.000	0.000	0.000	0.000	0.000	0.000
187	A	2326	LEU	0	0.016	0.020	59.289	-0.001	-0.001	0.000	0.000	0.000	0.000
188	A	2327	PRO	0	0.008	-0.020	58.507	0.000	0.000	0.000	0.000	0.000	0.000
189	A	2328	GLY	0	0.001	0.006	58.361	-0.001	-0.001	0.000	0.000	0.000	0.000
190	A	2329	ASN	0	-0.010	-0.004	56.693	-0.001	-0.001	0.000	0.000	0.000	0.000
191	A	2330	PHE	0	-0.013	0.000	52.308	0.001	0.001	0.000	0.000	0.000	0.000
192	A	2331	ARG	1	0.716	0.834	47.789	0.009	0.009	0.000	0.000	0.000	0.000
193	A	2332	ASP	-1	-0.737	-0.835	53.204	-0.009	-0.009	0.000	0.000	0.000	0.000
194	A	2333	LEU	0	-0.004	-0.015	48.120	-0.002	-0.002	0.000	0.000	0.000	0.000
195	A	2334	SER	0	-0.081	-0.074	50.663	-0.002	-0.002	0.000	0.000	0.000	0.000
196	A	2335	LYS	1	0.846	0.924	52.650	0.010	0.010	0.000	0.000	0.000	0.000
197	A	2336	PRO	0	0.061	0.032	49.333	0.002	0.002	0.000	0.000	0.000	0.000
198	A	2337	ILE	0	-0.012	0.001	48.053	0.001	0.001	0.000	0.000	0.000	0.000
199	A	2338	GLY	0	0.042	0.002	50.871	0.001	0.001	0.000	0.000	0.000	0.000
200	A	2339	ALA	0	-0.002	-0.010	52.927	0.001	0.001	0.000	0.000	0.000	0.000
201	A	2340	LEU	0	-0.077	-0.012	52.191	0.001	0.001	0.000	0.000	0.000	0.000
202	A	2341	ASN	0	0.042	0.027	56.043	0.000	0.000	0.000	0.000	0.000	0.000
203	A	2342	PRO	0	0.028	0.005	58.670	-0.001	-0.001	0.000	0.000	0.000	0.000
204	A	2343	LYS	1	0.910	0.945	61.373	0.008	0.008	0.000	0.000	0.000	0.000
205	A	2344	ARG	1	0.859	0.922	52.839	0.014	0.014	0.000	0.000	0.000	0.000
206	A	2345	ALA	0	0.022	0.010	57.754	-0.001	-0.001	0.000	0.000	0.000	0.000
207	A	2346	VAL	0	-0.026	-0.005	58.768	-0.001	-0.001	0.000	0.000	0.000	0.000
208	A	2347	PHE	0	0.018	0.029	57.098	-0.001	-0.001	0.000	0.000	0.000	0.000
209	A	2348	TYR	0	-0.039	-0.034	53.203	-0.001	-0.001	0.000	0.000	0.000	0.000
210	A	2349	ALA	0	0.007	0.002	57.229	-0.002	-0.002	0.000	0.000	0.000	0.000
211	A	2350	GLU	-1	-0.905	-0.946	59.361	-0.020	-0.020	0.000	0.000	0.000	0.000
212	A	2351	ARG	1	0.830	0.922	53.029	0.027	0.027	0.000	0.000	0.000	0.000
213	A	2352	TYR	0	-0.066	-0.033	52.790	-0.002	-0.002	0.000	0.000	0.000	0.000
214	A	2353	GLU	-1	-0.920	-0.988	57.756	-0.026	-0.026	0.000	0.000	0.000	0.000
215	A	2354	THR	0	-0.119	-0.074	61.248	0.000	0.000	0.000	0.000	0.000	0.000
216	A	2355	TRP	0	-0.002	0.004	52.445	0.000	0.000	0.000	0.000	0.000	0.000
217	A	2356	GLU	-1	-0.993	-0.997	58.933	-0.029	-0.029	0.000	0.000	0.000	0.000
218	A	2357	ASP	-1	-0.889	-0.942	53.847	-0.041	-0.041	0.000	0.000	0.000	0.000
219	A	2358	ASP	-1	-0.872	-0.932	54.208	-0.049	-0.049	0.000	0.000	0.000	0.000
220	A	2359	GLN	0	-0.145	-0.089	49.213	-0.003	-0.003	0.000	0.000	0.000	0.000
221	A	2360	SER	0	-0.005	0.009	49.044	-0.003	-0.003	0.000	0.000	0.000	0.000
222	A	2361	PRO	0	-0.052	-0.034	48.733	0.002	0.002	0.000	0.000	0.000	0.000
223	A	2362	PRO	0	0.039	0.036	51.013	0.000	0.000	0.000	0.000	0.000	0.000
224	A	2363	TYR	0	-0.002	-0.008	49.634	0.000	0.000	0.000	0.000	0.000	0.000
225	A	2364	HIS	0	0.012	0.021	51.647	0.001	0.001	0.000	0.000	0.000	0.000
226	A	2365	TYR	0	-0.043	-0.030	48.570	0.003	0.003	0.000	0.000	0.000	0.000
227	A	2366	ASN	0	0.022	0.025	48.511	-0.002	-0.002	0.000	0.000	0.000	0.000
228	A	2367	THR	0	-0.023	-0.027	45.439	-0.002	-0.002	0.000	0.000	0.000	0.000
229	A	2368	HIS	0	0.010	0.015	40.293	0.003	0.003	0.000	0.000	0.000	0.000
230	A	2369	TYR	0	0.016	0.005	40.644	0.001	0.001	0.000	0.000	0.000	0.000
231	A	2370	SER	0	-0.034	-0.023	37.664	0.002	0.002	0.000	0.000	0.000	0.000
232	A	2371	THR	0	0.084	0.034	38.034	-0.003	-0.003	0.000	0.000	0.000	0.000
233	A	2372	ALA	0	0.072	0.046	34.607	0.005	0.005	0.000	0.000	0.000	0.000
234	A	2373	THR	0	0.052	0.021	36.302	0.004	0.004	0.000	0.000	0.000	0.000
235	A	2374	SER	0	0.004	0.003	39.654	0.005	0.005	0.000	0.000	0.000	0.000
236	A	2375	THR	0	-0.024	-0.012	34.692	0.005	0.005	0.000	0.000	0.000	0.000
237	A	2376	LEU	0	0.020	-0.001	34.190	0.005	0.005	0.000	0.000	0.000	0.000
238	A	2377	SER	0	-0.043	-0.027	37.692	0.004	0.004	0.000	0.000	0.000	0.000
239	A	2378	TRP	0	-0.051	-0.039	39.491	0.004	0.004	0.000	0.000	0.000	0.000
240	A	2379	LEU	0	0.010	-0.005	34.105	0.004	0.004	0.000	0.000	0.000	0.000
241	A	2380	VAL	0	0.019	0.020	37.631	0.004	0.004	0.000	0.000	0.000	0.000
242	A	2381	ARG	1	0.776	0.898	39.893	-0.015	-0.015	0.000	0.000	0.000	0.000
243	A	2382	ILE	0	-0.020	0.008	33.739	0.005	0.005	0.000	0.000	0.000	0.000
244	A	2383	GLU	-1	-0.764	-0.826	32.907	0.024	0.024	0.000	0.000	0.000	0.000
245	A	2384	PRO	0	0.001	-0.007	28.707	0.005	0.005	0.000	0.000	0.000	0.000
246	A	2385	PHE	0	0.010	-0.013	30.830	-0.006	-0.006	0.000	0.000	0.000	0.000
247	A	2386	THR	0	-0.034	-0.025	34.256	-0.004	-0.004	0.000	0.000	0.000	0.000
248	A	2387	THR	0	-0.019	-0.048	33.452	-0.001	-0.001	0.000	0.000	0.000	0.000
249	A	2388	PHE	0	-0.001	0.000	31.097	-0.004	-0.004	0.000	0.000	0.000	0.000
250	A	2389	PHE	0	-0.022	-0.017	34.256	-0.005	-0.005	0.000	0.000	0.000	0.000
251	A	2390	LEU	0	0.015	0.010	37.792	-0.002	-0.002	0.000	0.000	0.000	0.000
252	A	2391	ASN	0	-0.089	-0.071	33.907	-0.001	-0.001	0.000	0.000	0.000	0.000
253	A	2392	ALA	0	-0.044	-0.009	36.619	-0.004	-0.004	0.000	0.000	0.000	0.000
254	A	2393	ASN	0	-0.068	-0.034	38.330	-0.004	-0.004	0.000	0.000	0.000	0.000
255	A	2394	ASP	-1	-0.889	-0.944	41.940	-0.014	-0.014	0.000	0.000	0.000	0.000
256	A	2395	GLY	0	-0.010	0.010	40.629	0.002	0.002	0.000	0.000	0.000	0.000
257	A	2396	LYS	1	0.773	0.876	41.660	-0.002	-0.002	0.000	0.000	0.000	0.000
258	A	2397	PHE	0	0.025	0.015	41.839	-0.002	-0.002	0.000	0.000	0.000	0.000
259	A	2398	ASP	-1	-0.765	-0.859	44.794	-0.010	-0.010	0.000	0.000	0.000	0.000
260	A	2399	HIS	0	0.000	-0.019	46.898	0.003	0.003	0.000	0.000	0.000	0.000
261	A	2400	PRO	0	0.056	0.018	50.030	-0.001	-0.001	0.000	0.000	0.000	0.000
262	A	2401	ASP	-1	-0.862	-0.896	51.021	0.000	0.000	0.000	0.000	0.000	0.000
263	A	2402	ARG	1	0.788	0.865	47.985	0.011	0.011	0.000	0.000	0.000	0.000
264	A	2403	THR	0	0.031	0.024	44.865	0.000	0.000	0.000	0.000	0.000	0.000
265	A	2404	PHE	0	-0.003	0.004	43.056	0.000	0.000	0.000	0.000	0.000	0.000
266	A	2405	SER	0	0.040	0.010	46.451	0.003	0.003	0.000	0.000	0.000	0.000
267	A	2406	SER	0	-0.030	-0.043	49.349	0.001	0.001	0.000	0.000	0.000	0.000
268	A	2407	VAL	0	0.013	0.027	48.036	-0.002	-0.002	0.000	0.000	0.000	0.000
269	A	2408	ALA	0	0.053	0.027	49.784	-0.002	-0.002	0.000	0.000	0.000	0.000
270	A	2409	ARG	1	0.813	0.898	52.545	0.000	0.000	0.000	0.000	0.000	0.000
271	A	2410	SER	0	-0.004	-0.007	48.442	-0.002	-0.002	0.000	0.000	0.000	0.000
272	A	2411	TRP	0	0.008	0.017	50.523	-0.002	-0.002	0.000	0.000	0.000	0.000
273	A	2412	ARG	1	0.826	0.877	52.036	-0.004	-0.004	0.000	0.000	0.000	0.000
274	A	2413	THR	0	-0.002	-0.014	51.656	-0.001	-0.001	0.000	0.000	0.000	0.000
275	A	2414	SER	0	-0.033	-0.013	50.003	-0.002	-0.002	0.000	0.000	0.000	0.000
276	A	2415	GLN	0	-0.018	-0.005	51.705	-0.002	-0.002	0.000	0.000	0.000	0.000
277	A	2416	ARG	1	0.854	0.922	55.187	0.007	0.007	0.000	0.000	0.000	0.000
278	A	2417	ASP	-1	-0.791	-0.875	53.074	-0.016	-0.016	0.000	0.000	0.000	0.000
279	A	2418	THR	0	0.047	0.016	54.230	0.000	0.000	0.000	0.000	0.000	0.000
280	A	2419	SER	0	-0.056	-0.022	50.590	-0.002	-0.002	0.000	0.000	0.000	0.000
281	A	2420	ASP	-1	-0.847	-0.902	48.707	-0.014	-0.014	0.000	0.000	0.000	0.000
282	A	2421	VAL	0	0.011	0.005	47.286	0.001	0.001	0.000	0.000	0.000	0.000
283	A	2422	LYS	1	0.875	0.938	44.493	0.011	0.011	0.000	0.000	0.000	0.000
284	A	2423	GLU	-1	-0.715	-0.820	43.356	-0.010	-0.010	0.000	0.000	0.000	0.000
285	A	2424	LEU	0	-0.022	0.010	43.231	0.000	0.000	0.000	0.000	0.000	0.000
286	A	2425	ILE	0	0.017	0.013	37.419	-0.003	-0.003	0.000	0.000	0.000	0.000
287	A	2426	PRO	0	0.012	-0.003	35.221	0.003	0.003	0.000	0.000	0.000	0.000
288	A	2427	GLU	-1	-0.657	-0.800	35.319	0.014	0.014	0.000	0.000	0.000	0.000
289	A	2428	PHE	0	0.007	0.006	38.411	0.004	0.004	0.000	0.000	0.000	0.000
290	A	2429	TYR	0	-0.075	-0.069	40.766	0.001	0.001	0.000	0.000	0.000	0.000
291	A	2430	TYR	0	-0.104	-0.101	34.120	0.003	0.003	0.000	0.000	0.000	0.000
292	A	2431	LEU	0	-0.003	0.016	35.235	0.003	0.003	0.000	0.000	0.000	0.000
293	A	2432	PRO	0	0.008	0.002	38.842	-0.004	-0.004	0.000	0.000	0.000	0.000
294	A	2433	GLU	-1	-0.802	-0.928	36.202	0.046	0.046	0.000	0.000	0.000	0.000
295	A	2434	MET	0	-0.029	0.003	39.068	-0.003	-0.003	0.000	0.000	0.000	0.000
296	A	2435	PHE	0	-0.044	-0.034	40.319	-0.004	-0.004	0.000	0.000	0.000	0.000
297	A	2436	VAL	0	-0.010	0.009	42.152	-0.001	-0.001	0.000	0.000	0.000	0.000
298	A	2437	ASN	0	0.029	0.008	42.235	0.002	0.002	0.000	0.000	0.000	0.000
299	A	2438	SER	0	-0.037	-0.007	39.048	0.003	0.003	0.000	0.000	0.000	0.000
300	A	2439	ASN	0	-0.047	-0.028	39.626	0.005	0.005	0.000	0.000	0.000	0.000
301	A	2440	GLY	0	0.005	0.012	41.184	0.002	0.002	0.000	0.000	0.000	0.000
302	A	2441	TYR	0	0.006	-0.016	42.298	-0.003	-0.003	0.000	0.000	0.000	0.000
303	A	2442	ASN	0	-0.048	-0.046	45.405	0.000	0.000	0.000	0.000	0.000	0.000
304	A	2443	LEU	0	-0.006	0.003	41.596	0.000	0.000	0.000	0.000	0.000	0.000
305	A	2444	GLY	0	-0.040	-0.001	45.697	-0.001	-0.001	0.000	0.000	0.000	0.000
306	A	2445	VAL	0	0.056	0.028	45.054	-0.001	-0.001	0.000	0.000	0.000	0.000
307	A	2446	ARG	1	0.878	0.929	48.548	-0.015	-0.015	0.000	0.000	0.000	0.000
308	A	2447	GLU	-1	-0.899	-0.928	51.139	0.017	0.017	0.000	0.000	0.000	0.000
309	A	2448	ASP	-1	-0.991	-1.012	53.412	0.007	0.007	0.000	0.000	0.000	0.000
310	A	2449	GLU	-1	-0.821	-0.911	46.902	0.008	0.008	0.000	0.000	0.000	0.000
311	A	2450	VAL	0	-0.024	0.009	46.795	0.001	0.001	0.000	0.000	0.000	0.000
312	A	2451	VAL	0	0.009	-0.008	45.913	0.001	0.001	0.000	0.000	0.000	0.000
313	A	2452	VAL	0	-0.033	-0.005	44.465	-0.002	-0.002	0.000	0.000	0.000	0.000
314	A	2453	ASN	0	-0.011	-0.011	45.445	0.004	0.004	0.000	0.000	0.000	0.000
315	A	2454	ASP	-1	-0.818	-0.920	46.594	0.025	0.025	0.000	0.000	0.000	0.000
316	A	2455	VAL	0	-0.099	-0.018	45.498	-0.002	-0.002	0.000	0.000	0.000	0.000
317	A	2456	ASP	-1	-0.849	-0.885	48.353	0.011	0.011	0.000	0.000	0.000	0.000
318	A	2457	LEU	0	0.021	-0.005	48.037	-0.001	-0.001	0.000	0.000	0.000	0.000
319	A	2458	PRO	0	-0.004	0.000	51.593	-0.001	-0.001	0.000	0.000	0.000	0.000
320	A	2459	PRO	0	0.034	0.029	54.717	0.002	0.002	0.000	0.000	0.000	0.000
321	A	2460	TRP	0	-0.022	-0.009	50.768	0.002	0.002	0.000	0.000	0.000	0.000
322	A	2461	ALA	0	-0.087	-0.052	51.006	0.001	0.001	0.000	0.000	0.000	0.000
323	A	2462	LYS	1	0.820	0.910	52.864	-0.018	-0.018	0.000	0.000	0.000	0.000
324	A	2463	LYS	1	0.949	0.977	48.850	-0.033	-0.033	0.000	0.000	0.000	0.000
325	A	2464	PRO	0	0.087	0.045	44.942	-0.001	-0.001	0.000	0.000	0.000	0.000
326	A	2465	GLU	-1	-0.857	-0.945	44.221	0.037	0.037	0.000	0.000	0.000	0.000
327	A	2466	ASP	-1	-0.870	-0.922	46.192	0.029	0.029	0.000	0.000	0.000	0.000
328	A	2467	PHE	0	0.024	0.009	45.953	-0.001	-0.001	0.000	0.000	0.000	0.000
329	A	2468	VAL	0	0.024	0.026	41.940	-0.002	-0.002	0.000	0.000	0.000	0.000
330	A	2469	ARG	1	0.812	0.909	45.109	-0.031	-0.031	0.000	0.000	0.000	0.000
331	A	2470	ILE	0	0.009	-0.002	46.632	-0.001	-0.001	0.000	0.000	0.000	0.000
332	A	2471	ASN	0	0.025	0.007	45.333	-0.003	-0.003	0.000	0.000	0.000	0.000
333	A	2472	ARG	1	0.834	0.917	39.842	-0.026	-0.026	0.000	0.000	0.000	0.000
334	A	2473	MET	0	-0.049	-0.033	45.458	0.000	0.000	0.000	0.000	0.000	0.000
335	A	2474	ALA	0	0.032	0.024	48.584	-0.001	-0.001	0.000	0.000	0.000	0.000
336	A	2475	LEU	0	-0.026	0.006	42.228	-0.002	-0.002	0.000	0.000	0.000	0.000
337	A	2476	GLU	-1	-0.737	-0.860	43.064	0.014	0.014	0.000	0.000	0.000	0.000
338	A	2477	SER	0	-0.001	0.010	47.028	-0.001	-0.001	0.000	0.000	0.000	0.000
339	A	2478	GLU	-1	-0.747	-0.846	50.344	0.005	0.005	0.000	0.000	0.000	0.000
340	A	2479	PHE	0	0.028	0.018	52.738	-0.002	-0.002	0.000	0.000	0.000	0.000
341	A	2480	VAL	0	0.037	0.028	47.170	-0.002	-0.002	0.000	0.000	0.000	0.000
342	A	2481	SER	0	-0.024	-0.012	48.541	-0.002	-0.002	0.000	0.000	0.000	0.000
343	A	2482	CYS	0	-0.094	-0.041	49.594	-0.002	-0.002	0.000	0.000	0.000	0.000
344	A	2483	GLN	0	-0.002	-0.019	51.187	-0.002	-0.002	0.000	0.000	0.000	0.000
345	A	2484	LEU	0	0.019	0.019	43.786	-0.002	-0.002	0.000	0.000	0.000	0.000
346	A	2485	HIS	0	-0.019	0.000	46.576	-0.001	-0.001	0.000	0.000	0.000	0.000
347	A	2486	GLN	0	-0.023	-0.022	47.512	-0.002	-0.002	0.000	0.000	0.000	0.000
348	A	2487	TRP	0	0.032	0.015	41.342	-0.002	-0.002	0.000	0.000	0.000	0.000
349	A	2488	ILE	0	-0.003	-0.008	42.091	-0.003	-0.003	0.000	0.000	0.000	0.000
350	A	2489	ASP	-1	-0.751	-0.889	43.937	-0.026	-0.026	0.000	0.000	0.000	0.000
351	A	2490	LEU	0	-0.039	-0.008	46.145	-0.003	-0.003	0.000	0.000	0.000	0.000
352	A	2491	ILE	0	0.003	0.020	40.471	-0.003	-0.003	0.000	0.000	0.000	0.000
353	A	2492	PHE	0	0.014	0.005	36.915	-0.004	-0.004	0.000	0.000	0.000	0.000
354	A	2493	GLY	0	0.038	0.019	41.235	-0.003	-0.003	0.000	0.000	0.000	0.000
355	A	2494	TYR	0	-0.078	-0.036	44.169	-0.002	-0.002	0.000	0.000	0.000	0.000
356	A	2495	LYS	1	0.860	0.930	47.043	0.021	0.021	0.000	0.000	0.000	0.000
357	A	2496	GLN	0	-0.054	-0.014	39.711	-0.002	-0.002	0.000	0.000	0.000	0.000
358	A	2497	ARG	1	0.864	0.921	39.679	0.058	0.058	0.000	0.000	0.000	0.000
359	A	2498	GLY	0	0.023	0.015	46.447	0.000	0.000	0.000	0.000	0.000	0.000
360	A	2499	PRO	0	0.027	-0.008	49.475	0.001	0.001	0.000	0.000	0.000	0.000
361	A	2500	GLU	-1	-0.761	-0.840	51.130	-0.023	-0.023	0.000	0.000	0.000	0.000
362	A	2501	ALA	0	0.004	0.019	48.801	0.002	0.002	0.000	0.000	0.000	0.000
363	A	2502	VAL	0	0.026	0.016	50.806	0.001	0.001	0.000	0.000	0.000	0.000
364	A	2503	ARG	1	0.826	0.889	53.880	0.024	0.024	0.000	0.000	0.000	0.000
365	A	2504	ALA	0	-0.049	-0.027	51.936	0.002	0.002	0.000	0.000	0.000	0.000
366	A	2505	LEU	0	-0.037	-0.010	53.284	0.001	0.001	0.000	0.000	0.000	0.000
367	A	2506	ASN	0	-0.033	-0.036	46.763	0.002	0.002	0.000	0.000	0.000	0.000
368	A	2507	VAL	0	-0.007	0.025	48.293	-0.002	-0.002	0.000	0.000	0.000	0.000
369	A	2508	PHE	0	0.012	-0.002	45.173	0.002	0.002	0.000	0.000	0.000	0.000
370	A	2509	HIS	0	0.099	0.042	45.050	-0.001	-0.001	0.000	0.000	0.000	0.000
371	A	2510	TYR	0	0.021	-0.007	44.432	-0.003	-0.003	0.000	0.000	0.000	0.000
372	A	2511	LEU	0	0.000	0.011	40.237	-0.003	-0.003	0.000	0.000	0.000	0.000
373	A	2512	THR	0	0.003	0.015	39.921	-0.004	-0.004	0.000	0.000	0.000	0.000
374	A	2513	TYR	0	-0.049	-0.021	39.339	0.000	0.000	0.000	0.000	0.000	0.000
375	A	2514	GLU	-1	-0.761	-0.884	35.822	-0.073	-0.073	0.000	0.000	0.000	0.000
376	A	2515	GLY	0	-0.054	-0.044	36.496	0.003	0.003	0.000	0.000	0.000	0.000
377	A	2516	SER	0	-0.079	-0.029	38.016	-0.003	-0.003	0.000	0.000	0.000	0.000
378	A	2517	VAL	0	0.075	0.035	36.566	0.001	0.001	0.000	0.000	0.000	0.000
379	A	2518	ASN	0	-0.068	-0.031	32.178	-0.003	-0.003	0.000	0.000	0.000	0.000
380	A	2519	LEU	0	0.033	0.000	31.366	0.002	0.002	0.000	0.000	0.000	0.000
381	A	2520	ASP	-1	-0.861	-0.911	30.020	-0.169	-0.169	0.000	0.000	0.000	0.000
382	A	2521	SER	0	-0.054	-0.037	32.796	0.000	0.000	0.000	0.000	0.000	0.000
383	A	2522	ILE	0	-0.061	-0.009	35.822	0.006	0.006	0.000	0.000	0.000	0.000
384	A	2523	THR	0	-0.018	-0.015	35.016	-0.002	-0.002	0.000	0.000	0.000	0.000
385	A	2524	ASP	-1	-0.842	-0.914	35.471	-0.102	-0.102	0.000	0.000	0.000	0.000
386	A	2525	PRO	0	0.014	-0.013	33.224	0.002	0.002	0.000	0.000	0.000	0.000
387	A	2526	VAL	0	0.009	0.011	34.901	0.002	0.002	0.000	0.000	0.000	0.000
388	A	2527	LEU	0	-0.008	0.001	37.830	0.005	0.005	0.000	0.000	0.000	0.000
389	A	2528	ARG	1	0.787	0.874	28.996	0.151	0.151	0.000	0.000	0.000	0.000
390	A	2529	GLU	-1	-0.934	-0.967	34.431	-0.076	-0.076	0.000	0.000	0.000	0.000
391	A	2530	ALA	0	0.068	0.035	35.375	0.004	0.004	0.000	0.000	0.000	0.000
392	A	2531	MET	0	-0.023	-0.001	37.059	0.006	0.006	0.000	0.000	0.000	0.000
393	A	2532	GLU	-1	-0.860	-0.934	30.885	-0.122	-0.122	0.000	0.000	0.000	0.000
394	A	2533	ALA	0	0.004	0.012	34.875	0.004	0.004	0.000	0.000	0.000	0.000
395	A	2534	GLN	0	0.004	0.000	37.045	0.005	0.005	0.000	0.000	0.000	0.000
396	A	2535	ILE	0	-0.010	-0.011	34.959	0.004	0.004	0.000	0.000	0.000	0.000
397	A	2536	GLN	0	-0.068	-0.046	32.464	0.006	0.006	0.000	0.000	0.000	0.000
398	A	2537	ASN	0	-0.090	-0.025	36.456	0.006	0.006	0.000	0.000	0.000	0.000
399	A	2538	PHE	0	0.005	-0.003	40.114	0.004	0.004	0.000	0.000	0.000	0.000
400	A	2539	GLY	0	0.028	0.017	38.258	0.004	0.004	0.000	0.000	0.000	0.000
401	A	2540	GLN	0	0.001	-0.001	32.512	-0.011	-0.011	0.000	0.000	0.000	0.000
402	A	2541	THR	0	-0.003	0.007	37.536	0.005	0.005	0.000	0.000	0.000	0.000
403	A	2542	PRO	0	-0.038	-0.011	35.818	-0.006	-0.006	0.000	0.000	0.000	0.000
404	A	2543	SER	0	-0.038	-0.042	33.448	-0.004	-0.004	0.000	0.000	0.000	0.000
405	A	2544	GLN	0	-0.048	-0.019	36.043	0.002	0.002	0.000	0.000	0.000	0.000
406	A	2545	LEU	0	-0.083	-0.047	35.338	-0.004	-0.004	0.000	0.000	0.000	0.000
407	A	2546	LEU	0	-0.079	-0.041	38.691	-0.001	-0.001	0.000	0.000	0.000	0.000
408	A	2547	ILE	0	-0.018	-0.024	42.137	-0.001	-0.001	0.000	0.000	0.000	0.000
409	A	2548	GLU	-1	-0.899	-0.939	45.261	-0.033	-0.033	0.000	0.000	0.000	0.000
410	A	2549	PRO	0	-0.013	-0.027	47.016	0.000	0.000	0.000	0.000	0.000	0.000
411	A	2550	HIS	0	-0.014	0.006	43.247	-0.001	-0.001	0.000	0.000	0.000	0.000
412	A	2551	PRO	0	-0.006	-0.009	45.577	0.002	0.002	0.000	0.000	0.000	0.000
413	A	2552	PRO	0	0.047	0.035	47.542	0.000	0.000	0.000	0.000	0.000	0.000
414	A	2553	ARG	1	0.865	0.948	44.109	-0.007	-0.007	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(A:2140:GLY)