FMO DATABASE

FMODB ID: LZ789

Calculation Name: 4P6Z-M-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 4P6Z

Chain ID: M

ChEMBL ID:

UniProt ID: Q10567

Base Structure: X-ray

Registration Date: 2023-06-22

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	415
LigandResidueName
LigandFragmentNumber	0
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-7015707.998883
FMO2-HF: Nuclear repulsion	6848877.994389
FMO2-HF: Total energy	-166830.004494
FMO2-MP2: Total energy	-167318.021483

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(M:2:SER)

Summations of interaction energy for fragment #1(M:2: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.
-31.461	-27.324	17.867	-9.551	-12.45	-0.034

Interaction energy analysis for fragmet #1(M:2:SER)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : -0.032 / q_NPA : -0.019

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	M	4	SER	0	0.026	-0.012	3.866	0.919	2.286	-0.011	-0.634	-0.722	0.002
4	M	5	ALA	0	-0.016	-0.003	6.546	0.286	0.286	0.000	0.000	0.000	0.000
5	M	6	VAL	0	0.015	0.014	7.920	-0.307	-0.307	0.000	0.000	0.000	0.000
6	M	7	TYR	0	-0.012	-0.032	10.389	0.136	0.136	0.000	0.000	0.000	0.000
7	M	8	VAL	0	0.037	0.027	13.976	-0.021	-0.021	0.000	0.000	0.000	0.000
8	M	9	LEU	0	0.007	0.000	16.076	0.021	0.021	0.000	0.000	0.000	0.000
9	M	10	ASP	-1	-0.702	-0.852	19.225	-0.144	-0.144	0.000	0.000	0.000	0.000
10	M	11	LEU	0	-0.013	-0.020	22.121	0.004	0.004	0.000	0.000	0.000	0.000
11	M	12	LYS	1	0.829	0.911	24.291	0.134	0.134	0.000	0.000	0.000	0.000
12	M	13	GLY	0	0.016	0.010	20.813	0.011	0.011	0.000	0.000	0.000	0.000
13	M	14	LYS	1	0.922	0.974	20.531	0.129	0.129	0.000	0.000	0.000	0.000
14	M	15	VAL	0	-0.008	-0.020	17.719	-0.011	-0.011	0.000	0.000	0.000	0.000
15	M	16	LEU	0	-0.070	-0.021	19.992	0.027	0.027	0.000	0.000	0.000	0.000
16	M	17	ILE	0	0.013	0.013	17.452	0.011	0.011	0.000	0.000	0.000	0.000
17	M	18	CYS	0	-0.073	-0.034	14.433	-0.015	-0.015	0.000	0.000	0.000	0.000
18	M	19	ARG	1	0.857	0.895	10.925	0.691	0.691	0.000	0.000	0.000	0.000
19	M	20	ASN	0	0.032	0.004	10.813	-0.162	-0.162	0.000	0.000	0.000	0.000
20	M	21	TYR	0	-0.039	-0.045	6.672	-0.093	-0.093	0.000	0.000	0.000	0.000
21	M	22	ARG	1	0.757	0.870	3.786	-2.275	-1.787	0.014	-0.199	-0.303	0.001
22	M	23	GLY	0	-0.005	0.008	8.523	0.088	0.088	0.000	0.000	0.000	0.000
23	M	24	ASP	-1	-0.805	-0.885	7.183	1.132	1.132	0.000	0.000	0.000	0.000
24	M	25	VAL	0	-0.035	-0.021	8.785	0.028	0.028	0.000	0.000	0.000	0.000
25	M	26	ASP	-1	-0.823	-0.892	11.362	-0.045	-0.045	0.000	0.000	0.000	0.000
26	M	27	MET	0	-0.019	0.000	13.596	-0.038	-0.038	0.000	0.000	0.000	0.000
27	M	28	SER	0	0.071	0.044	15.520	-0.026	-0.026	0.000	0.000	0.000	0.000
28	M	29	GLU	-1	-0.848	-0.924	14.587	0.002	0.002	0.000	0.000	0.000	0.000
29	M	30	VAL	0	-0.035	-0.017	14.629	0.011	0.011	0.000	0.000	0.000	0.000
30	M	31	GLU	-1	-0.919	-0.968	16.204	-0.097	-0.097	0.000	0.000	0.000	0.000
31	M	32	HIS	1	0.839	0.918	17.724	0.057	0.057	0.000	0.000	0.000	0.000
32	M	33	PHE	0	0.003	0.008	14.462	0.011	0.011	0.000	0.000	0.000	0.000
33	M	34	MET	0	0.051	0.038	17.274	0.024	0.024	0.000	0.000	0.000	0.000
34	M	35	PRO	0	-0.015	-0.003	20.490	0.014	0.014	0.000	0.000	0.000	0.000
35	M	36	ILE	0	0.034	0.019	17.810	0.012	0.012	0.000	0.000	0.000	0.000
36	M	37	LEU	0	-0.020	-0.013	18.182	0.016	0.016	0.000	0.000	0.000	0.000
37	M	38	MET	0	-0.007	-0.008	20.003	0.010	0.010	0.000	0.000	0.000	0.000
38	M	39	GLU	-1	-0.851	-0.902	22.850	0.061	0.061	0.000	0.000	0.000	0.000
39	M	40	LYS	1	0.740	0.836	19.670	-0.076	-0.076	0.000	0.000	0.000	0.000
40	M	41	GLU	-1	-0.982	-0.993	22.412	-0.007	-0.007	0.000	0.000	0.000	0.000
41	M	42	GLU	-1	-0.950	-0.974	23.886	0.014	0.014	0.000	0.000	0.000	0.000
42	M	43	GLU	-1	-0.915	-0.946	24.226	0.093	0.093	0.000	0.000	0.000	0.000
43	M	44	GLY	0	-0.023	-0.003	25.728	0.008	0.008	0.000	0.000	0.000	0.000
44	M	45	MET	0	-0.098	-0.041	20.953	0.015	0.015	0.000	0.000	0.000	0.000
45	M	46	LEU	0	0.004	0.010	19.650	0.011	0.011	0.000	0.000	0.000	0.000
46	M	47	SER	0	0.020	-0.008	14.884	0.032	0.032	0.000	0.000	0.000	0.000
47	M	48	PRO	0	0.025	0.009	12.883	-0.023	-0.023	0.000	0.000	0.000	0.000
48	M	49	ILE	0	-0.049	-0.024	9.693	-0.025	-0.025	0.000	0.000	0.000	0.000
49	M	50	LEU	0	0.054	0.058	12.088	0.029	0.029	0.000	0.000	0.000	0.000
50	M	51	ALA	0	-0.014	-0.040	12.315	0.012	0.012	0.000	0.000	0.000	0.000
51	M	52	HIS	0	0.005	0.003	14.324	-0.011	-0.011	0.000	0.000	0.000	0.000
52	M	53	GLY	0	0.039	0.015	15.802	0.000	0.000	0.000	0.000	0.000	0.000
53	M	54	GLY	0	-0.028	-0.016	13.693	0.049	0.049	0.000	0.000	0.000	0.000
54	M	55	VAL	0	-0.029	-0.009	11.041	0.059	0.059	0.000	0.000	0.000	0.000
55	M	56	ARG	1	0.877	0.944	8.666	-0.401	-0.401	0.000	0.000	0.000	0.000
56	M	57	PHE	0	0.036	-0.001	9.417	-0.210	-0.210	0.000	0.000	0.000	0.000
57	M	58	MET	0	-0.034	0.006	4.500	0.231	0.304	-0.001	-0.004	-0.067	0.000
58	M	59	TRP	0	-0.046	-0.032	9.072	-0.222	-0.222	0.000	0.000	0.000	0.000
59	M	60	ILE	0	0.029	0.017	12.089	0.080	0.080	0.000	0.000	0.000	0.000
60	M	61	LYS	1	0.910	0.947	14.686	0.082	0.082	0.000	0.000	0.000	0.000
61	M	62	HIS	0	0.018	0.012	18.297	0.009	0.009	0.000	0.000	0.000	0.000
62	M	63	ASN	0	0.009	0.005	20.459	0.002	0.002	0.000	0.000	0.000	0.000
63	M	64	ASN	0	0.003	-0.012	23.845	-0.002	-0.002	0.000	0.000	0.000	0.000
64	M	65	LEU	0	-0.010	0.011	19.547	-0.001	-0.001	0.000	0.000	0.000	0.000
65	M	66	TYR	0	0.033	0.021	16.911	0.019	0.019	0.000	0.000	0.000	0.000
66	M	67	LEU	0	-0.009	0.000	13.425	-0.031	-0.031	0.000	0.000	0.000	0.000
67	M	68	VAL	0	0.014	0.005	11.395	0.032	0.032	0.000	0.000	0.000	0.000
68	M	69	ALA	0	0.026	0.010	6.493	-0.154	-0.154	0.000	0.000	0.000	0.000
69	M	70	THR	0	0.024	0.023	8.019	0.109	0.109	0.000	0.000	0.000	0.000
70	M	71	SER	0	-0.009	-0.030	3.644	-0.183	0.125	0.001	-0.190	-0.119	0.001
71	M	72	LYS	1	0.913	0.959	6.691	0.139	0.139	0.000	0.000	0.000	0.000
72	M	73	LYS	1	0.815	0.910	4.342	-1.146	-1.031	-0.001	-0.006	-0.108	0.000
73	M	74	ASN	0	-0.002	-0.004	6.192	-0.682	-0.682	0.000	0.000	0.000	0.000
74	M	75	ALA	0	0.002	0.005	2.206	0.081	0.659	1.440	-0.760	-1.258	0.000
75	M	76	CYS	0	0.010	0.006	2.005	-8.146	-8.729	5.821	-2.162	-3.077	0.021
76	M	77	VAL	0	0.054	0.011	3.745	-2.510	-2.371	0.007	0.117	-0.262	0.001
77	M	78	SER	0	0.007	0.013	5.698	-0.474	-0.474	0.000	0.000	0.000	0.000
78	M	79	LEU	0	0.027	0.008	2.655	-1.700	-0.718	0.363	-0.474	-0.871	0.001
79	M	80	VAL	0	0.009	0.000	2.806	-1.576	-1.150	0.464	-0.228	-0.662	-0.002
80	M	81	PHE	0	-0.003	-0.007	5.426	-0.200	-0.200	0.000	0.000	0.000	0.000
81	M	82	SER	0	-0.043	-0.014	8.747	-0.124	-0.124	0.000	0.000	0.000	0.000
82	M	83	PHE	0	0.044	0.012	6.778	-0.136	-0.136	0.000	0.000	0.000	0.000
83	M	84	LEU	0	0.004	0.004	8.673	0.056	0.056	0.000	0.000	0.000	0.000
84	M	85	TYR	0	0.026	-0.002	10.634	0.059	0.059	0.000	0.000	0.000	0.000
85	M	86	LYS	1	0.782	0.896	11.422	0.513	0.513	0.000	0.000	0.000	0.000
86	M	87	VAL	0	0.006	0.005	11.078	0.034	0.034	0.000	0.000	0.000	0.000
87	M	88	VAL	0	0.014	0.013	13.719	0.064	0.064	0.000	0.000	0.000	0.000
88	M	89	GLN	0	-0.070	-0.027	16.277	0.018	0.018	0.000	0.000	0.000	0.000
89	M	90	VAL	0	0.008	-0.003	15.864	0.039	0.039	0.000	0.000	0.000	0.000
90	M	91	PHE	0	0.034	-0.004	15.782	0.026	0.026	0.000	0.000	0.000	0.000
91	M	92	SER	0	-0.013	-0.014	19.450	0.039	0.039	0.000	0.000	0.000	0.000
92	M	93	GLU	-1	-0.896	-0.899	21.400	-0.244	-0.244	0.000	0.000	0.000	0.000
93	M	94	TYR	0	-0.072	-0.046	20.786	-0.002	-0.002	0.000	0.000	0.000	0.000
94	M	95	PHE	0	-0.006	-0.014	20.530	0.017	0.017	0.000	0.000	0.000	0.000
95	M	96	LYS	1	0.916	0.958	24.818	0.136	0.136	0.000	0.000	0.000	0.000
96	M	97	GLU	-1	-0.892	-0.930	26.272	-0.125	-0.125	0.000	0.000	0.000	0.000
97	M	98	LEU	0	-0.003	0.019	18.579	-0.006	-0.006	0.000	0.000	0.000	0.000
98	M	99	GLU	-1	-0.911	-0.969	23.272	-0.139	-0.139	0.000	0.000	0.000	0.000
99	M	100	GLU	-1	-0.812	-0.915	24.076	-0.168	-0.168	0.000	0.000	0.000	0.000
100	M	101	GLU	-1	-0.918	-0.952	25.041	-0.137	-0.137	0.000	0.000	0.000	0.000
101	M	102	SER	0	-0.002	-0.012	24.785	-0.001	-0.001	0.000	0.000	0.000	0.000
102	M	103	ILE	0	-0.046	-0.029	19.606	-0.017	-0.017	0.000	0.000	0.000	0.000
103	M	104	ARG	1	0.799	0.883	23.122	0.155	0.155	0.000	0.000	0.000	0.000
104	M	105	ASP	-1	-0.862	-0.934	25.974	-0.160	-0.160	0.000	0.000	0.000	0.000
105	M	106	ASN	0	-0.083	-0.043	24.235	0.006	0.006	0.000	0.000	0.000	0.000
106	M	107	PHE	0	0.005	-0.005	22.279	-0.024	-0.024	0.000	0.000	0.000	0.000
107	M	108	VAL	0	-0.029	-0.007	21.399	-0.028	-0.028	0.000	0.000	0.000	0.000
108	M	109	ILE	0	0.081	0.041	21.319	-0.026	-0.026	0.000	0.000	0.000	0.000
109	M	110	ILE	0	-0.021	0.000	17.944	-0.041	-0.041	0.000	0.000	0.000	0.000
110	M	111	TYR	0	-0.027	-0.018	17.061	-0.066	-0.066	0.000	0.000	0.000	0.000
111	M	112	GLU	-1	-0.901	-0.950	16.481	-0.351	-0.351	0.000	0.000	0.000	0.000
112	M	113	LEU	0	-0.012	-0.006	16.601	-0.053	-0.053	0.000	0.000	0.000	0.000
113	M	114	LEU	0	-0.061	-0.031	12.398	-0.104	-0.104	0.000	0.000	0.000	0.000
114	M	115	ASP	-1	-0.807	-0.861	11.807	-0.700	-0.700	0.000	0.000	0.000	0.000
115	M	116	GLU	-1	-0.794	-0.842	12.729	-0.617	-0.617	0.000	0.000	0.000	0.000
116	M	117	LEU	0	-0.025	-0.013	11.633	-0.070	-0.070	0.000	0.000	0.000	0.000
117	M	118	MET	0	-0.094	-0.050	4.651	-0.544	-0.474	-0.001	-0.006	-0.062	0.000
118	M	119	ASP	-1	-0.788	-0.880	7.337	-0.494	-0.494	0.000	0.000	0.000	0.000
119	M	120	PHE	0	0.001	-0.011	6.059	-0.363	-0.363	0.000	0.000	0.000	0.000
120	M	121	GLY	0	0.043	0.021	2.552	1.821	2.458	0.714	-0.535	-0.817	0.002
121	M	122	TYR	0	-0.085	-0.044	1.912	-14.981	-15.538	9.058	-4.440	-4.060	-0.061
122	M	123	PRO	0	0.009	-0.001	4.306	0.978	1.072	-0.001	-0.030	-0.062	0.000
123	M	124	GLN	0	-0.033	-0.005	7.563	0.263	0.263	0.000	0.000	0.000	0.000
124	M	125	THR	0	0.016	-0.002	10.778	0.062	0.062	0.000	0.000	0.000	0.000
125	M	126	THR	0	-0.006	-0.008	11.065	-0.005	-0.005	0.000	0.000	0.000	0.000
126	M	127	ASP	-1	-0.898	-0.944	14.500	-0.374	-0.374	0.000	0.000	0.000	0.000
127	M	128	SER	0	0.049	-0.015	18.155	0.008	0.008	0.000	0.000	0.000	0.000
128	M	129	LYS	1	0.836	0.903	20.466	0.215	0.215	0.000	0.000	0.000	0.000
129	M	130	ILE	0	-0.059	-0.015	20.591	0.022	0.022	0.000	0.000	0.000	0.000
130	M	131	LEU	0	0.026	0.004	16.223	0.007	0.007	0.000	0.000	0.000	0.000
131	M	132	GLN	0	-0.016	-0.009	20.573	0.029	0.029	0.000	0.000	0.000	0.000
132	M	133	GLU	-1	-0.875	-0.891	23.991	-0.214	-0.214	0.000	0.000	0.000	0.000
133	M	134	TYR	0	-0.150	-0.119	17.682	0.034	0.034	0.000	0.000	0.000	0.000
134	M	135	ILE	0	0.005	0.025	19.027	0.002	0.002	0.000	0.000	0.000	0.000
135	M	136	THR	0	0.005	0.017	22.528	-0.002	-0.002	0.000	0.000	0.000	0.000
136	M	137	GLN	0	0.022	-0.006	25.718	0.000	0.000	0.000	0.000	0.000	0.000
137	M	138	GLU	-1	-1.017	-0.988	27.480	-0.132	-0.132	0.000	0.000	0.000	0.000
138	M	146	ALA	0	-0.015	-0.019	28.311	0.001	0.001	0.000	0.000	0.000	0.000
139	M	147	PRO	0	0.036	0.033	25.376	0.010	0.010	0.000	0.000	0.000	0.000
140	M	148	ARG	1	0.920	0.949	25.067	0.180	0.180	0.000	0.000	0.000	0.000
141	M	149	PRO	0	0.048	0.032	20.812	0.005	0.005	0.000	0.000	0.000	0.000
142	M	150	PRO	0	0.029	0.019	22.200	0.020	0.020	0.000	0.000	0.000	0.000
143	M	151	ALA	0	0.029	0.013	22.657	-0.020	-0.020	0.000	0.000	0.000	0.000
144	M	152	THR	0	-0.045	-0.051	22.246	-0.006	-0.006	0.000	0.000	0.000	0.000
145	M	153	VAL	0	0.012	0.016	17.135	-0.010	-0.010	0.000	0.000	0.000	0.000
146	M	154	THR	0	-0.007	-0.006	17.915	-0.040	-0.040	0.000	0.000	0.000	0.000
147	M	155	ASN	0	-0.047	-0.003	20.043	0.022	0.022	0.000	0.000	0.000	0.000
148	M	156	ALA	0	-0.025	-0.021	21.279	-0.020	-0.020	0.000	0.000	0.000	0.000
149	M	157	VAL	0	-0.045	-0.049	22.670	0.018	0.018	0.000	0.000	0.000	0.000
150	M	158	SER	0	0.070	0.049	18.552	0.017	0.017	0.000	0.000	0.000	0.000
151	M	159	TRP	0	-0.023	-0.012	20.246	-0.022	-0.022	0.000	0.000	0.000	0.000
152	M	160	ARG	1	0.742	0.831	22.373	0.159	0.159	0.000	0.000	0.000	0.000
153	M	161	SER	0	0.037	0.000	25.662	-0.002	-0.002	0.000	0.000	0.000	0.000
154	M	162	GLU	-1	-0.919	-0.970	27.136	-0.144	-0.144	0.000	0.000	0.000	0.000
155	M	163	GLY	0	-0.036	-0.020	30.471	-0.001	-0.001	0.000	0.000	0.000	0.000
156	M	164	ILE	0	0.030	0.023	29.201	0.010	0.010	0.000	0.000	0.000	0.000
157	M	165	LYS	1	0.889	0.930	33.713	0.109	0.109	0.000	0.000	0.000	0.000
158	M	166	TYR	0	-0.004	-0.026	32.683	0.002	0.002	0.000	0.000	0.000	0.000
159	M	167	ARG	1	0.935	0.954	39.100	0.081	0.081	0.000	0.000	0.000	0.000
160	M	168	LYS	1	0.835	0.911	41.573	0.073	0.073	0.000	0.000	0.000	0.000
161	M	169	ASN	0	0.036	0.047	39.301	-0.009	-0.009	0.000	0.000	0.000	0.000
162	M	170	GLU	-1	-0.790	-0.884	38.416	-0.066	-0.066	0.000	0.000	0.000	0.000
163	M	171	VAL	0	0.007	0.002	34.060	-0.007	-0.007	0.000	0.000	0.000	0.000
164	M	172	PHE	0	0.000	0.005	35.198	0.007	0.007	0.000	0.000	0.000	0.000
165	M	173	LEU	0	-0.026	-0.013	33.318	-0.006	-0.006	0.000	0.000	0.000	0.000
166	M	174	ASP	-1	-0.761	-0.851	32.590	-0.065	-0.065	0.000	0.000	0.000	0.000
167	M	175	VAL	0	-0.032	-0.013	32.205	-0.002	-0.002	0.000	0.000	0.000	0.000
168	M	176	ILE	0	-0.002	-0.001	31.053	0.004	0.004	0.000	0.000	0.000	0.000
169	M	177	GLU	-1	-0.773	-0.901	31.823	-0.014	-0.014	0.000	0.000	0.000	0.000
170	M	178	ALA	0	0.062	0.038	30.148	0.000	0.000	0.000	0.000	0.000	0.000
171	M	179	VAL	0	-0.026	-0.017	32.060	0.006	0.006	0.000	0.000	0.000	0.000
172	M	180	ASN	0	-0.001	0.001	28.377	-0.009	-0.009	0.000	0.000	0.000	0.000
173	M	181	LEU	0	-0.063	-0.053	32.831	0.002	0.002	0.000	0.000	0.000	0.000
174	M	182	LEU	0	0.034	0.029	32.550	0.000	0.000	0.000	0.000	0.000	0.000
175	M	183	VAL	0	0.002	0.003	35.698	0.003	0.003	0.000	0.000	0.000	0.000
176	M	184	SER	0	0.019	-0.024	38.834	0.000	0.000	0.000	0.000	0.000	0.000
177	M	185	ALA	0	0.050	0.019	40.558	-0.003	-0.003	0.000	0.000	0.000	0.000
178	M	186	ASN	0	-0.029	-0.008	42.737	-0.001	-0.001	0.000	0.000	0.000	0.000
179	M	187	GLY	0	0.030	0.035	44.061	-0.002	-0.002	0.000	0.000	0.000	0.000
180	M	188	ASN	0	-0.008	0.013	41.698	-0.002	-0.002	0.000	0.000	0.000	0.000
181	M	189	VAL	0	-0.005	-0.012	38.670	0.001	0.001	0.000	0.000	0.000	0.000
182	M	190	LEU	0	-0.031	-0.011	36.460	0.002	0.002	0.000	0.000	0.000	0.000
183	M	191	ARG	1	0.852	0.891	29.321	-0.046	-0.046	0.000	0.000	0.000	0.000
184	M	192	SER	0	0.005	-0.007	35.329	-0.006	-0.006	0.000	0.000	0.000	0.000
185	M	193	GLU	-1	-0.788	-0.852	29.217	0.043	0.043	0.000	0.000	0.000	0.000
186	M	194	ILE	0	-0.032	-0.018	33.239	-0.005	-0.005	0.000	0.000	0.000	0.000
187	M	195	VAL	0	0.031	0.020	26.575	0.004	0.004	0.000	0.000	0.000	0.000
188	M	196	GLY	0	-0.001	-0.007	29.338	-0.006	-0.006	0.000	0.000	0.000	0.000
189	M	197	SER	0	-0.035	-0.047	26.973	-0.003	-0.003	0.000	0.000	0.000	0.000
190	M	198	ILE	0	-0.018	-0.020	28.200	0.004	0.004	0.000	0.000	0.000	0.000
191	M	199	LYS	1	0.902	0.934	25.934	0.085	0.085	0.000	0.000	0.000	0.000
192	M	200	MET	0	-0.040	-0.023	28.980	0.010	0.010	0.000	0.000	0.000	0.000
193	M	201	ARG	1	0.893	0.942	29.723	0.096	0.096	0.000	0.000	0.000	0.000
194	M	202	VAL	0	-0.018	-0.009	30.748	0.011	0.011	0.000	0.000	0.000	0.000
195	M	203	PHE	0	0.013	0.014	32.413	-0.008	-0.008	0.000	0.000	0.000	0.000
196	M	204	LEU	0	0.010	0.006	34.120	0.009	0.009	0.000	0.000	0.000	0.000
197	M	205	SER	0	0.022	0.005	34.539	-0.009	-0.009	0.000	0.000	0.000	0.000
198	M	206	GLY	0	-0.007	0.019	35.366	0.005	0.005	0.000	0.000	0.000	0.000
199	M	207	MET	0	-0.010	0.007	28.184	-0.007	-0.007	0.000	0.000	0.000	0.000
200	M	208	PRO	0	-0.008	0.012	32.671	0.004	0.004	0.000	0.000	0.000	0.000
201	M	209	GLU	-1	-0.749	-0.820	30.905	-0.098	-0.098	0.000	0.000	0.000	0.000
202	M	210	LEU	0	-0.022	-0.025	31.939	0.008	0.008	0.000	0.000	0.000	0.000
203	M	211	ARG	1	0.897	0.942	32.474	0.057	0.057	0.000	0.000	0.000	0.000
204	M	212	LEU	0	0.031	0.025	31.527	0.002	0.002	0.000	0.000	0.000	0.000
205	M	213	GLY	0	-0.008	0.000	34.526	0.004	0.004	0.000	0.000	0.000	0.000
206	M	214	LEU	0	0.014	-0.003	32.305	0.002	0.002	0.000	0.000	0.000	0.000
207	M	215	ASN	0	-0.037	-0.034	36.833	0.000	0.000	0.000	0.000	0.000	0.000
208	M	216	ASP	-1	-0.722	-0.837	34.240	0.004	0.004	0.000	0.000	0.000	0.000
209	M	217	LYS	1	0.835	0.887	36.454	-0.019	-0.019	0.000	0.000	0.000	0.000
210	M	218	VAL	0	0.043	0.039	33.673	0.000	0.000	0.000	0.000	0.000	0.000
211	M	219	LEU	0	0.014	0.005	35.883	-0.001	-0.001	0.000	0.000	0.000	0.000
212	M	220	PHE	0	-0.048	-0.029	37.513	-0.003	-0.003	0.000	0.000	0.000	0.000
213	M	221	ASP	-1	-0.836	-0.909	39.827	0.012	0.012	0.000	0.000	0.000	0.000
214	M	222	ASN	0	-0.013	-0.005	36.236	0.002	0.002	0.000	0.000	0.000	0.000
215	M	223	THR	0	-0.050	-0.026	40.428	-0.003	-0.003	0.000	0.000	0.000	0.000
216	M	224	GLY	0	0.026	0.025	43.191	-0.002	-0.002	0.000	0.000	0.000	0.000
217	M	225	ARG	1	0.803	0.889	40.523	0.010	0.010	0.000	0.000	0.000	0.000
218	M	226	GLY	0	0.104	0.065	43.906	-0.001	-0.001	0.000	0.000	0.000	0.000
219	M	227	LYS	1	0.905	0.965	44.828	0.002	0.002	0.000	0.000	0.000	0.000
220	M	228	SER	0	-0.068	-0.047	46.054	-0.002	-0.002	0.000	0.000	0.000	0.000
221	M	229	LYS	1	0.863	0.918	43.042	0.013	0.013	0.000	0.000	0.000	0.000
222	M	230	SER	0	-0.009	0.004	40.238	-0.002	-0.002	0.000	0.000	0.000	0.000
223	M	231	VAL	0	-0.001	0.004	35.637	0.001	0.001	0.000	0.000	0.000	0.000
224	M	232	GLU	-1	-0.793	-0.884	35.447	0.020	0.020	0.000	0.000	0.000	0.000
225	M	233	LEU	0	-0.053	-0.029	30.981	0.001	0.001	0.000	0.000	0.000	0.000
226	M	234	GLU	-1	-0.861	-0.916	30.566	0.045	0.045	0.000	0.000	0.000	0.000
227	M	235	ASP	-1	-0.858	-0.919	23.983	0.066	0.066	0.000	0.000	0.000	0.000
228	M	236	VAL	0	-0.039	-0.017	25.914	-0.011	-0.011	0.000	0.000	0.000	0.000
229	M	237	LYS	1	0.831	0.915	19.857	-0.036	-0.036	0.000	0.000	0.000	0.000
230	M	238	PHE	0	0.022	-0.009	21.762	-0.006	-0.006	0.000	0.000	0.000	0.000
231	M	239	HIS	0	0.088	0.051	20.758	0.004	0.004	0.000	0.000	0.000	0.000
232	M	240	GLN	0	0.022	0.011	16.788	0.000	0.000	0.000	0.000	0.000	0.000
233	M	241	CYS	0	-0.048	-0.017	19.986	0.012	0.012	0.000	0.000	0.000	0.000
234	M	242	VAL	0	-0.046	-0.023	23.343	0.016	0.016	0.000	0.000	0.000	0.000
235	M	243	ARG	1	0.856	0.901	23.423	0.102	0.102	0.000	0.000	0.000	0.000
236	M	244	LEU	0	0.046	0.007	19.854	0.016	0.016	0.000	0.000	0.000	0.000
237	M	245	SER	0	0.038	0.020	24.225	0.010	0.010	0.000	0.000	0.000	0.000
238	M	246	ARG	1	0.829	0.895	25.880	0.047	0.047	0.000	0.000	0.000	0.000
239	M	247	PHE	0	-0.027	-0.010	26.954	0.004	0.004	0.000	0.000	0.000	0.000
240	M	248	GLU	-1	-0.904	-0.954	25.165	0.039	0.039	0.000	0.000	0.000	0.000
241	M	249	ASN	0	-0.056	-0.022	28.309	0.010	0.010	0.000	0.000	0.000	0.000
242	M	250	ASP	-1	-0.805	-0.878	31.194	-0.024	-0.024	0.000	0.000	0.000	0.000
243	M	251	ARG	1	0.841	0.900	30.122	-0.011	-0.011	0.000	0.000	0.000	0.000
244	M	252	THR	0	-0.070	-0.052	31.931	-0.006	-0.006	0.000	0.000	0.000	0.000
245	M	253	ILE	0	0.011	0.012	28.737	-0.005	-0.005	0.000	0.000	0.000	0.000
246	M	254	SER	0	-0.070	-0.082	29.539	0.001	0.001	0.000	0.000	0.000	0.000
247	M	255	PHE	0	0.064	0.017	27.287	-0.001	-0.001	0.000	0.000	0.000	0.000
248	M	256	ILE	0	0.052	0.048	27.427	0.007	0.007	0.000	0.000	0.000	0.000
249	M	257	PRO	0	-0.038	0.008	26.875	-0.013	-0.013	0.000	0.000	0.000	0.000
250	M	258	PRO	0	0.058	0.037	23.987	-0.002	-0.002	0.000	0.000	0.000	0.000
251	M	259	ASP	-1	-0.795	-0.872	26.206	-0.124	-0.124	0.000	0.000	0.000	0.000
252	M	260	GLY	0	0.067	0.044	27.642	-0.014	-0.014	0.000	0.000	0.000	0.000
253	M	261	GLU	-1	-0.870	-0.929	27.911	-0.113	-0.113	0.000	0.000	0.000	0.000
254	M	262	PHE	0	0.003	-0.003	24.211	-0.019	-0.019	0.000	0.000	0.000	0.000
255	M	263	GLU	-1	-0.749	-0.826	23.614	-0.075	-0.075	0.000	0.000	0.000	0.000
256	M	264	LEU	0	-0.018	0.000	23.991	-0.009	-0.009	0.000	0.000	0.000	0.000
257	M	265	MET	0	-0.012	-0.010	24.860	0.001	0.001	0.000	0.000	0.000	0.000
258	M	266	SER	0	0.024	0.030	23.227	0.003	0.003	0.000	0.000	0.000	0.000
259	M	267	TYR	0	-0.061	-0.054	25.997	0.004	0.004	0.000	0.000	0.000	0.000
260	M	268	ARG	1	0.938	0.987	25.130	-0.061	-0.061	0.000	0.000	0.000	0.000
261	M	269	LEU	0	-0.025	-0.016	29.218	0.004	0.004	0.000	0.000	0.000	0.000
262	M	270	ASN	0	0.008	-0.004	32.552	-0.001	-0.001	0.000	0.000	0.000	0.000
263	M	271	THR	0	-0.034	-0.020	34.983	-0.005	-0.005	0.000	0.000	0.000	0.000
264	M	272	HIS	0	0.049	0.023	38.197	0.003	0.003	0.000	0.000	0.000	0.000
265	M	273	VAL	0	-0.054	-0.022	41.657	-0.002	-0.002	0.000	0.000	0.000	0.000
266	M	274	LYS	1	0.935	0.969	42.336	-0.006	-0.006	0.000	0.000	0.000	0.000
267	M	275	PRO	0	0.032	0.026	40.768	-0.002	-0.002	0.000	0.000	0.000	0.000
268	M	276	LEU	0	0.037	0.020	39.838	-0.001	-0.001	0.000	0.000	0.000	0.000
269	M	277	ILE	0	0.017	0.004	42.132	-0.001	-0.001	0.000	0.000	0.000	0.000
270	M	278	TRP	0	-0.038	0.004	42.408	0.001	0.001	0.000	0.000	0.000	0.000
271	M	279	ILE	0	0.033	0.003	42.610	-0.002	-0.002	0.000	0.000	0.000	0.000
272	M	280	GLU	-1	-0.756	-0.869	45.222	0.008	0.008	0.000	0.000	0.000	0.000
273	M	281	SER	0	0.018	-0.013	46.067	-0.002	-0.002	0.000	0.000	0.000	0.000
274	M	282	VAL	0	-0.006	0.013	48.097	0.002	0.002	0.000	0.000	0.000	0.000
275	M	283	ILE	0	0.003	-0.012	45.835	-0.002	-0.002	0.000	0.000	0.000	0.000
276	M	284	GLU	-1	-0.890	-0.930	50.485	0.007	0.007	0.000	0.000	0.000	0.000
277	M	285	LYS	1	0.872	0.914	48.611	-0.012	-0.012	0.000	0.000	0.000	0.000
278	M	286	HIS	0	-0.041	-0.011	52.339	0.001	0.001	0.000	0.000	0.000	0.000
279	M	287	SER	0	0.053	0.006	52.701	-0.001	-0.001	0.000	0.000	0.000	0.000
280	M	288	HIS	1	0.775	0.880	53.184	-0.008	-0.008	0.000	0.000	0.000	0.000
281	M	289	SER	0	0.003	0.024	55.233	-0.001	-0.001	0.000	0.000	0.000	0.000
282	M	290	ARG	1	0.874	0.916	54.436	-0.003	-0.003	0.000	0.000	0.000	0.000
283	M	291	ILE	0	-0.002	0.002	48.065	0.002	0.002	0.000	0.000	0.000	0.000
284	M	292	GLU	-1	-0.767	-0.834	52.350	-0.003	-0.003	0.000	0.000	0.000	0.000
285	M	293	TYR	0	0.023	-0.005	44.883	0.002	0.002	0.000	0.000	0.000	0.000
286	M	294	MET	0	-0.024	-0.006	51.017	-0.002	-0.002	0.000	0.000	0.000	0.000
287	M	295	VAL	0	0.019	0.000	46.949	0.002	0.002	0.000	0.000	0.000	0.000
288	M	296	LYS	1	0.787	0.913	49.759	-0.004	-0.004	0.000	0.000	0.000	0.000
289	M	297	ALA	0	0.035	0.015	46.785	0.001	0.001	0.000	0.000	0.000	0.000
290	M	298	LYS	1	0.779	0.880	47.534	-0.004	-0.004	0.000	0.000	0.000	0.000
291	M	299	SER	0	0.025	0.008	46.895	0.001	0.001	0.000	0.000	0.000	0.000
292	M	300	GLN	0	-0.076	-0.035	45.431	0.001	0.001	0.000	0.000	0.000	0.000
293	M	301	PHE	0	0.004	0.001	44.964	0.001	0.001	0.000	0.000	0.000	0.000
294	M	302	LYS	1	0.964	0.969	47.612	0.007	0.007	0.000	0.000	0.000	0.000
295	M	303	ARG	1	1.001	1.023	49.876	0.009	0.009	0.000	0.000	0.000	0.000
296	M	304	ARG	1	0.872	0.911	51.074	0.013	0.013	0.000	0.000	0.000	0.000
297	M	305	SER	0	0.070	0.043	46.189	-0.001	-0.001	0.000	0.000	0.000	0.000
298	M	306	THR	0	-0.020	-0.017	46.782	0.002	0.002	0.000	0.000	0.000	0.000
299	M	307	ALA	0	0.002	0.027	43.365	-0.002	-0.002	0.000	0.000	0.000	0.000
300	M	308	ASN	0	0.001	-0.021	43.042	0.003	0.003	0.000	0.000	0.000	0.000
301	M	309	ASN	0	-0.052	-0.050	40.869	0.001	0.001	0.000	0.000	0.000	0.000
302	M	310	VAL	0	-0.002	0.021	41.017	-0.001	-0.001	0.000	0.000	0.000	0.000
303	M	311	GLU	-1	-0.814	-0.899	39.359	-0.033	-0.033	0.000	0.000	0.000	0.000
304	M	312	ILE	0	-0.017	-0.009	40.349	0.001	0.001	0.000	0.000	0.000	0.000
305	M	313	HIS	0	-0.002	0.010	38.282	-0.001	-0.001	0.000	0.000	0.000	0.000
306	M	314	ILE	0	0.005	-0.016	40.206	0.004	0.004	0.000	0.000	0.000	0.000
307	M	315	PRO	0	0.074	0.042	38.466	-0.002	-0.002	0.000	0.000	0.000	0.000
308	M	316	VAL	0	-0.064	-0.021	41.144	0.002	0.002	0.000	0.000	0.000	0.000
309	M	317	PRO	0	-0.016	-0.007	42.798	0.000	0.000	0.000	0.000	0.000	0.000
310	M	318	ASN	0	0.005	-0.006	40.246	-0.004	-0.004	0.000	0.000	0.000	0.000
311	M	319	ASP	-1	-0.886	-0.946	43.261	0.000	0.000	0.000	0.000	0.000	0.000
312	M	320	ALA	0	-0.045	-0.012	46.799	0.000	0.000	0.000	0.000	0.000	0.000
313	M	321	ASP	-1	-0.838	-0.909	48.715	-0.008	-0.008	0.000	0.000	0.000	0.000
314	M	322	SER	0	-0.064	-0.056	51.419	0.000	0.000	0.000	0.000	0.000	0.000
315	M	323	PRO	0	-0.008	0.013	50.085	0.001	0.001	0.000	0.000	0.000	0.000
316	M	324	LYS	1	0.843	0.930	52.396	0.005	0.005	0.000	0.000	0.000	0.000
317	M	325	PHE	0	0.039	0.009	48.758	0.001	0.001	0.000	0.000	0.000	0.000
318	M	326	LYS	1	0.888	0.938	53.916	0.009	0.009	0.000	0.000	0.000	0.000
319	M	327	THR	0	0.018	0.002	51.482	0.001	0.001	0.000	0.000	0.000	0.000
320	M	328	THR	0	-0.001	0.010	54.596	0.000	0.000	0.000	0.000	0.000	0.000
321	M	329	VAL	0	-0.016	-0.014	51.941	-0.001	-0.001	0.000	0.000	0.000	0.000
322	M	330	GLY	0	0.027	0.025	50.303	0.000	0.000	0.000	0.000	0.000	0.000
323	M	331	SER	0	-0.020	0.003	48.376	0.000	0.000	0.000	0.000	0.000	0.000
324	M	332	VAL	0	0.004	-0.012	47.593	-0.001	-0.001	0.000	0.000	0.000	0.000
325	M	333	LYS	1	0.847	0.933	42.355	0.029	0.029	0.000	0.000	0.000	0.000
326	M	334	TRP	0	0.033	-0.001	45.111	0.000	0.000	0.000	0.000	0.000	0.000
327	M	335	VAL	0	-0.014	0.002	39.309	-0.002	-0.002	0.000	0.000	0.000	0.000
328	M	336	PRO	0	0.028	0.008	41.129	0.001	0.001	0.000	0.000	0.000	0.000
329	M	337	GLU	-1	-0.875	-0.937	37.710	-0.028	-0.028	0.000	0.000	0.000	0.000
330	M	338	ASN	0	-0.049	-0.032	35.925	-0.003	-0.003	0.000	0.000	0.000	0.000
331	M	339	SER	0	-0.007	0.006	37.669	0.004	0.004	0.000	0.000	0.000	0.000
332	M	340	GLU	-1	-0.884	-0.935	38.154	-0.016	-0.016	0.000	0.000	0.000	0.000
333	M	341	ILE	0	-0.038	-0.024	41.584	-0.002	-0.002	0.000	0.000	0.000	0.000
334	M	342	VAL	0	0.012	0.008	40.572	0.001	0.001	0.000	0.000	0.000	0.000
335	M	343	TRP	0	-0.039	-0.036	43.491	0.000	0.000	0.000	0.000	0.000	0.000
336	M	344	SER	0	0.011	0.005	43.533	0.000	0.000	0.000	0.000	0.000	0.000
337	M	345	VAL	0	-0.046	-0.031	45.384	0.001	0.001	0.000	0.000	0.000	0.000
338	M	346	LYS	1	0.994	0.997	45.776	0.036	0.036	0.000	0.000	0.000	0.000
339	M	347	SER	0	-0.004	-0.004	46.233	-0.001	-0.001	0.000	0.000	0.000	0.000
340	M	348	PHE	0	-0.003	0.002	46.645	0.002	0.002	0.000	0.000	0.000	0.000
341	M	349	PRO	0	0.030	0.019	47.898	0.000	0.000	0.000	0.000	0.000	0.000
342	M	350	GLY	0	0.050	0.037	49.383	0.001	0.001	0.000	0.000	0.000	0.000
343	M	351	GLY	0	-0.053	-0.036	50.172	0.000	0.000	0.000	0.000	0.000	0.000
344	M	352	LYS	1	0.899	0.962	51.626	0.011	0.011	0.000	0.000	0.000	0.000
345	M	353	GLU	-1	-0.777	-0.895	51.460	0.001	0.001	0.000	0.000	0.000	0.000
346	M	354	TYR	0	-0.040	-0.018	50.333	0.000	0.000	0.000	0.000	0.000	0.000
347	M	355	LEU	0	0.050	0.003	52.035	0.001	0.001	0.000	0.000	0.000	0.000
348	M	356	MET	0	-0.019	0.011	49.052	-0.002	-0.002	0.000	0.000	0.000	0.000
349	M	357	ARG	1	0.863	0.902	52.334	0.004	0.004	0.000	0.000	0.000	0.000
350	M	358	ALA	0	-0.010	-0.009	50.302	-0.002	-0.002	0.000	0.000	0.000	0.000
351	M	359	HIS	0	-0.061	-0.039	52.321	0.001	0.001	0.000	0.000	0.000	0.000
352	M	360	PHE	0	0.039	0.016	47.665	-0.002	-0.002	0.000	0.000	0.000	0.000
353	M	361	GLY	0	0.021	0.020	52.642	0.002	0.002	0.000	0.000	0.000	0.000
354	M	362	LEU	0	0.006	-0.022	49.042	0.000	0.000	0.000	0.000	0.000	0.000
355	M	363	PRO	0	0.055	0.044	50.090	0.000	0.000	0.000	0.000	0.000	0.000
356	M	364	SER	0	0.006	0.000	53.224	0.001	0.001	0.000	0.000	0.000	0.000
357	M	365	VAL	0	-0.031	-0.002	52.065	0.001	0.001	0.000	0.000	0.000	0.000
358	M	366	GLU	-1	-0.810	-0.898	49.167	0.010	0.010	0.000	0.000	0.000	0.000
359	M	367	ALA	0	0.066	0.038	44.704	0.000	0.000	0.000	0.000	0.000	0.000
360	M	368	GLU	-1	-0.928	-0.954	44.827	0.010	0.010	0.000	0.000	0.000	0.000
361	M	369	ASP	-1	-0.854	-0.915	39.960	0.017	0.017	0.000	0.000	0.000	0.000
362	M	370	LYS	1	0.735	0.837	40.594	-0.018	-0.018	0.000	0.000	0.000	0.000
363	M	371	GLU	-1	-0.856	-0.909	38.148	0.004	0.004	0.000	0.000	0.000	0.000
364	M	372	GLY	0	0.057	0.041	36.921	0.001	0.001	0.000	0.000	0.000	0.000
365	M	373	LYS	1	0.791	0.877	37.285	-0.026	-0.026	0.000	0.000	0.000	0.000
366	M	374	PRO	0	0.057	0.037	34.931	0.004	0.004	0.000	0.000	0.000	0.000
367	M	375	PRO	0	-0.063	-0.028	34.162	0.001	0.001	0.000	0.000	0.000	0.000
368	M	376	ILE	0	0.032	0.025	37.294	-0.003	-0.003	0.000	0.000	0.000	0.000
369	M	377	SER	0	-0.005	-0.002	35.621	0.001	0.001	0.000	0.000	0.000	0.000
370	M	378	VAL	0	-0.020	-0.020	37.330	-0.002	-0.002	0.000	0.000	0.000	0.000
371	M	379	LYS	1	0.921	0.976	34.994	0.036	0.036	0.000	0.000	0.000	0.000
372	M	380	PHE	0	-0.024	-0.041	37.358	0.001	0.001	0.000	0.000	0.000	0.000
373	M	381	GLU	-1	-0.832	-0.896	37.543	-0.046	-0.046	0.000	0.000	0.000	0.000
374	M	382	ILE	0	-0.041	-0.029	39.350	0.002	0.002	0.000	0.000	0.000	0.000
375	M	383	PRO	0	0.016	0.020	40.510	-0.001	-0.001	0.000	0.000	0.000	0.000
376	M	384	TYR	0	-0.034	-0.028	41.523	0.002	0.002	0.000	0.000	0.000	0.000
377	M	385	PHE	0	-0.036	-0.021	40.976	0.004	0.004	0.000	0.000	0.000	0.000
378	M	386	THR	0	-0.016	0.014	37.881	-0.002	-0.002	0.000	0.000	0.000	0.000
379	M	387	THR	0	-0.005	0.000	37.923	0.002	0.002	0.000	0.000	0.000	0.000
380	M	388	SER	0	0.004	0.011	35.494	0.005	0.005	0.000	0.000	0.000	0.000
381	M	389	GLY	0	-0.039	-0.012	38.145	0.002	0.002	0.000	0.000	0.000	0.000
382	M	390	ILE	0	-0.003	-0.002	34.164	-0.001	-0.001	0.000	0.000	0.000	0.000
383	M	391	GLN	0	0.017	0.006	38.397	0.000	0.000	0.000	0.000	0.000	0.000
384	M	392	VAL	0	0.035	0.021	36.321	0.002	0.002	0.000	0.000	0.000	0.000
385	M	393	ARG	1	0.887	0.944	38.272	0.021	0.021	0.000	0.000	0.000	0.000
386	M	394	TYR	0	-0.020	-0.016	37.813	0.000	0.000	0.000	0.000	0.000	0.000
387	M	395	LEU	0	0.053	0.039	34.042	0.000	0.000	0.000	0.000	0.000	0.000
388	M	396	LYS	1	0.863	0.940	37.205	0.044	0.044	0.000	0.000	0.000	0.000
389	M	397	ILE	0	0.078	0.034	36.524	-0.004	-0.004	0.000	0.000	0.000	0.000
390	M	398	ILE	0	-0.034	-0.014	36.791	0.006	0.006	0.000	0.000	0.000	0.000
391	M	399	GLU	-1	-0.739	-0.869	36.665	-0.093	-0.093	0.000	0.000	0.000	0.000
392	M	400	LYS	1	0.924	0.971	37.733	0.090	0.090	0.000	0.000	0.000	0.000
393	M	401	SER	0	-0.066	-0.055	40.312	0.004	0.004	0.000	0.000	0.000	0.000
394	M	402	GLY	0	-0.020	-0.008	42.139	0.003	0.003	0.000	0.000	0.000	0.000
395	M	403	TYR	0	-0.041	-0.032	37.138	0.004	0.004	0.000	0.000	0.000	0.000
396	M	404	GLN	0	0.011	0.006	43.582	0.000	0.000	0.000	0.000	0.000	0.000
397	M	405	ALA	0	0.002	-0.010	40.120	-0.004	-0.004	0.000	0.000	0.000	0.000
398	M	406	LEU	0	-0.034	-0.016	41.658	0.004	0.004	0.000	0.000	0.000	0.000
399	M	407	PRO	0	-0.030	-0.002	38.595	-0.004	-0.004	0.000	0.000	0.000	0.000
400	M	408	TRP	0	-0.026	-0.020	39.004	0.007	0.007	0.000	0.000	0.000	0.000
401	M	409	VAL	0	-0.030	-0.024	37.183	-0.003	-0.003	0.000	0.000	0.000	0.000
402	M	410	ARG	1	0.799	0.870	35.445	0.068	0.068	0.000	0.000	0.000	0.000
403	M	411	TYR	0	0.037	0.018	37.282	-0.002	-0.002	0.000	0.000	0.000	0.000
404	M	412	ILE	0	0.007	-0.010	35.968	0.002	0.002	0.000	0.000	0.000	0.000
405	M	413	THR	0	0.001	0.006	35.789	0.001	0.001	0.000	0.000	0.000	0.000
406	M	414	GLN	0	-0.009	-0.014	32.023	-0.004	-0.004	0.000	0.000	0.000	0.000
407	M	415	ASN	0	-0.006	0.007	33.256	0.001	0.001	0.000	0.000	0.000	0.000
408	M	416	GLY	0	0.048	0.031	30.947	-0.006	-0.006	0.000	0.000	0.000	0.000
409	M	417	ASP	-1	-0.847	-0.921	27.737	0.006	0.006	0.000	0.000	0.000	0.000
410	M	418	TYR	0	-0.108	-0.062	30.963	0.007	0.007	0.000	0.000	0.000	0.000
411	M	419	GLN	0	-0.039	-0.034	30.808	-0.003	-0.003	0.000	0.000	0.000	0.000
412	M	420	LEU	0	-0.027	-0.019	36.278	0.004	0.004	0.000	0.000	0.000	0.000
413	M	421	ARG	1	0.959	0.981	33.002	-0.043	-0.043	0.000	0.000	0.000	0.000
414	M	422	THR	0	0.069	0.038	39.039	-0.001	-0.001	0.000	0.000	0.000	0.000
415	M	423	GLN	0	-0.006	-0.003	41.470	0.003	0.003	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(M:2:SER)