FMO DATABASE

FMODB ID: 529VZ

Calculation Name: 1M5N-S-Xray372

Preferred Name: Importin subunit beta-1

Target Type: SINGLE PROTEIN

Ligand Name:

ligand 3-letter code:

PDB ID: 1M5N

Chain ID: S

ChEMBL ID: CHEMBL1741199

UniProt ID: Q14974

Base Structure: X-ray

Registration Date: 2023-06-21

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	485
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-8510773.717949
FMO2-HF: Nuclear repulsion	8318335.630431
FMO2-HF: Total energy	-192438.087518
FMO2-MP2: Total energy	-192987.176382

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(S:1:MET)

Summations of interaction energy for fragment #1(S:1:MET)

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.
-4.515	-0.738	3.969	-2.274	-5.47	-0.01

Interaction energy analysis for fragmet #1(S:1:MET)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.002 / q_NPA : -0.001

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	S	3	LEU	0	-0.013	-0.012	3.877	-0.461	1.415	-0.014	-0.901	-0.960	0.003
4	S	4	ILE	0	0.038	0.015	6.272	0.541	0.541	0.000	0.000	0.000	0.000
5	S	5	THR	0	0.022	-0.005	5.325	0.007	0.007	0.000	0.000	0.000	0.000
6	S	6	ILE	0	0.015	0.015	2.164	-0.666	-0.411	2.554	-0.580	-2.228	-0.005
7	S	7	LEU	0	0.024	0.024	5.143	0.206	0.264	-0.001	-0.003	-0.054	0.000
8	S	8	GLU	-1	-0.833	-0.923	8.895	-0.276	-0.276	0.000	0.000	0.000	0.000
9	S	9	LYS	1	0.803	0.888	5.267	0.224	0.224	0.000	0.000	0.000	0.000
10	S	10	THR	0	-0.058	-0.038	8.363	0.085	0.085	0.000	0.000	0.000	0.000
11	S	11	VAL	0	0.007	0.001	10.346	0.059	0.059	0.000	0.000	0.000	0.000
12	S	12	SER	0	-0.031	-0.028	10.573	0.070	0.070	0.000	0.000	0.000	0.000
13	S	13	PRO	0	-0.005	-0.009	12.693	0.010	0.010	0.000	0.000	0.000	0.000
14	S	14	ASP	-1	-0.824	-0.903	12.966	0.066	0.066	0.000	0.000	0.000	0.000
15	S	15	ARG	1	0.833	0.877	13.729	0.075	0.075	0.000	0.000	0.000	0.000
16	S	16	LEU	0	-0.044	-0.008	11.874	-0.009	-0.009	0.000	0.000	0.000	0.000
17	S	17	GLU	-1	-0.798	-0.882	7.707	-0.047	-0.047	0.000	0.000	0.000	0.000
18	S	18	LEU	0	-0.005	0.022	8.860	-0.164	-0.164	0.000	0.000	0.000	0.000
19	S	19	GLU	-1	-0.795	-0.883	10.451	-0.319	-0.319	0.000	0.000	0.000	0.000
20	S	20	ALA	0	-0.034	-0.013	7.435	-0.043	-0.043	0.000	0.000	0.000	0.000
21	S	21	ALA	0	-0.002	-0.007	6.006	-0.197	-0.197	0.000	0.000	0.000	0.000
22	S	22	GLN	0	0.026	0.019	6.983	-0.237	-0.237	0.000	0.000	0.000	0.000
23	S	23	LYS	1	0.840	0.901	10.097	0.278	0.278	0.000	0.000	0.000	0.000
24	S	24	PHE	0	-0.065	-0.043	2.428	-2.285	-0.697	1.430	-0.790	-2.228	-0.008
25	S	25	LEU	0	-0.007	-0.010	5.514	-0.240	-0.240	0.000	0.000	0.000	0.000
26	S	26	GLU	-1	-0.817	-0.873	8.867	-0.309	-0.309	0.000	0.000	0.000	0.000
27	S	27	ARG	1	0.801	0.864	7.524	0.635	0.635	0.000	0.000	0.000	0.000
28	S	28	ALA	0	0.042	0.016	9.101	0.064	0.064	0.000	0.000	0.000	0.000
29	S	29	ALA	0	0.000	-0.002	11.165	0.046	0.046	0.000	0.000	0.000	0.000
30	S	30	VAL	0	-0.042	-0.031	14.416	0.076	0.076	0.000	0.000	0.000	0.000
31	S	31	GLU	-1	-0.839	-0.872	10.155	-0.665	-0.665	0.000	0.000	0.000	0.000
32	S	32	ASN	0	-0.046	-0.022	10.178	0.100	0.100	0.000	0.000	0.000	0.000
33	S	33	LEU	0	0.017	0.025	13.755	-0.059	-0.059	0.000	0.000	0.000	0.000
34	S	34	PRO	0	0.022	0.009	16.249	-0.027	-0.027	0.000	0.000	0.000	0.000
35	S	35	THR	0	-0.011	-0.023	13.021	0.019	0.019	0.000	0.000	0.000	0.000
36	S	36	PHE	0	0.027	0.009	8.962	-0.100	-0.100	0.000	0.000	0.000	0.000
37	S	37	LEU	0	0.059	0.027	12.583	-0.038	-0.038	0.000	0.000	0.000	0.000
38	S	38	VAL	0	-0.004	0.023	15.762	0.033	0.033	0.000	0.000	0.000	0.000
39	S	39	GLU	-1	-0.851	-0.909	11.078	-1.126	-1.126	0.000	0.000	0.000	0.000
40	S	40	LEU	0	-0.035	-0.012	10.851	0.015	0.015	0.000	0.000	0.000	0.000
41	S	41	SER	0	0.010	-0.023	13.765	0.092	0.092	0.000	0.000	0.000	0.000
42	S	42	ARG	1	0.765	0.877	14.341	0.873	0.873	0.000	0.000	0.000	0.000
43	S	43	VAL	0	-0.006	-0.008	11.939	0.056	0.056	0.000	0.000	0.000	0.000
44	S	44	LEU	0	-0.014	0.007	15.165	0.058	0.058	0.000	0.000	0.000	0.000
45	S	45	ALA	0	0.039	0.032	17.643	0.062	0.062	0.000	0.000	0.000	0.000
46	S	46	ASN	0	-0.074	-0.051	15.943	0.011	0.011	0.000	0.000	0.000	0.000
47	S	47	PRO	0	0.033	-0.006	18.972	-0.018	-0.018	0.000	0.000	0.000	0.000
48	S	48	GLY	0	-0.039	-0.006	19.576	0.019	0.019	0.000	0.000	0.000	0.000
49	S	49	ASN	0	-0.005	0.005	12.669	0.016	0.016	0.000	0.000	0.000	0.000
50	S	50	SER	0	-0.016	-0.017	13.751	0.051	0.051	0.000	0.000	0.000	0.000
51	S	51	GLN	0	0.002	-0.007	15.890	-0.035	-0.035	0.000	0.000	0.000	0.000
52	S	52	VAL	0	0.016	0.022	13.131	-0.015	-0.015	0.000	0.000	0.000	0.000
53	S	53	ALA	0	0.018	0.006	11.689	-0.045	-0.045	0.000	0.000	0.000	0.000
54	S	54	ARG	1	0.768	0.888	13.008	0.324	0.324	0.000	0.000	0.000	0.000
55	S	55	VAL	0	0.069	0.023	16.452	-0.013	-0.013	0.000	0.000	0.000	0.000
56	S	56	ALA	0	0.024	0.019	12.991	0.014	0.014	0.000	0.000	0.000	0.000
57	S	57	ALA	0	-0.011	0.000	13.894	-0.035	-0.035	0.000	0.000	0.000	0.000
58	S	58	GLY	0	0.067	0.027	14.810	0.004	0.004	0.000	0.000	0.000	0.000
59	S	59	LEU	0	-0.023	-0.008	16.527	0.026	0.026	0.000	0.000	0.000	0.000
60	S	60	GLN	0	-0.021	-0.022	12.296	0.052	0.052	0.000	0.000	0.000	0.000
61	S	61	ILE	0	-0.021	-0.012	15.991	0.025	0.025	0.000	0.000	0.000	0.000
62	S	62	LYS	1	0.912	0.961	18.246	0.331	0.331	0.000	0.000	0.000	0.000
63	S	63	ASN	0	-0.008	-0.011	17.646	0.062	0.062	0.000	0.000	0.000	0.000
64	S	64	SER	0	-0.031	-0.010	17.350	0.030	0.030	0.000	0.000	0.000	0.000
65	S	65	LEU	0	-0.030	-0.014	19.873	0.004	0.004	0.000	0.000	0.000	0.000
66	S	66	THR	0	0.026	0.020	23.389	0.028	0.028	0.000	0.000	0.000	0.000
67	S	67	SER	0	-0.002	-0.010	24.553	-0.016	-0.016	0.000	0.000	0.000	0.000
68	S	68	LYS	1	0.964	0.975	26.174	0.173	0.173	0.000	0.000	0.000	0.000
69	S	69	ASP	-1	-0.869	-0.924	28.890	-0.122	-0.122	0.000	0.000	0.000	0.000
70	S	70	PRO	0	0.028	-0.009	30.847	-0.011	-0.011	0.000	0.000	0.000	0.000
71	S	71	ASP	-1	-0.926	-0.949	32.000	-0.137	-0.137	0.000	0.000	0.000	0.000
72	S	72	ILE	0	0.000	-0.004	26.129	-0.010	-0.010	0.000	0.000	0.000	0.000
73	S	73	LYS	1	0.793	0.897	28.370	0.161	0.161	0.000	0.000	0.000	0.000
74	S	74	ALA	0	0.030	0.026	29.342	-0.012	-0.012	0.000	0.000	0.000	0.000
75	S	75	GLN	0	0.028	-0.002	27.889	-0.013	-0.013	0.000	0.000	0.000	0.000
76	S	76	TYR	0	-0.057	-0.048	20.444	-0.016	-0.016	0.000	0.000	0.000	0.000
77	S	77	GLN	0	0.032	0.030	25.638	-0.029	-0.029	0.000	0.000	0.000	0.000
78	S	78	GLN	0	-0.051	-0.038	27.964	-0.007	-0.007	0.000	0.000	0.000	0.000
79	S	79	ARG	1	0.827	0.935	18.174	0.396	0.396	0.000	0.000	0.000	0.000
80	S	80	TRP	0	0.033	0.003	20.910	-0.026	-0.026	0.000	0.000	0.000	0.000
81	S	81	LEU	0	0.008	0.006	24.835	-0.003	-0.003	0.000	0.000	0.000	0.000
82	S	82	ALA	0	-0.022	-0.008	26.506	0.008	0.008	0.000	0.000	0.000	0.000
83	S	83	ILE	0	-0.028	0.008	21.214	-0.010	-0.010	0.000	0.000	0.000	0.000
84	S	84	ASP	-1	-0.805	-0.897	21.983	-0.378	-0.378	0.000	0.000	0.000	0.000
85	S	85	ALA	0	0.002	-0.013	25.143	-0.007	-0.007	0.000	0.000	0.000	0.000
86	S	86	ASN	0	-0.091	-0.041	23.350	0.028	0.028	0.000	0.000	0.000	0.000
87	S	87	ALA	0	0.062	0.019	19.963	-0.002	-0.002	0.000	0.000	0.000	0.000
88	S	88	ARG	1	0.819	0.903	21.697	0.273	0.273	0.000	0.000	0.000	0.000
89	S	89	ARG	1	0.959	0.981	24.090	0.260	0.260	0.000	0.000	0.000	0.000
90	S	90	GLU	-1	-0.843	-0.914	19.256	-0.558	-0.558	0.000	0.000	0.000	0.000
91	S	91	VAL	0	0.013	-0.003	19.494	0.005	0.005	0.000	0.000	0.000	0.000
92	S	92	LYS	1	0.823	0.906	22.077	0.273	0.273	0.000	0.000	0.000	0.000
93	S	93	ASN	0	-0.063	-0.024	24.982	0.039	0.039	0.000	0.000	0.000	0.000
94	S	94	TYR	0	0.000	-0.006	20.768	0.010	0.010	0.000	0.000	0.000	0.000
95	S	95	VAL	0	0.037	0.030	21.211	0.005	0.005	0.000	0.000	0.000	0.000
96	S	96	LEU	0	0.005	-0.007	23.464	0.019	0.019	0.000	0.000	0.000	0.000
97	S	97	GLN	0	-0.053	-0.017	25.496	0.015	0.015	0.000	0.000	0.000	0.000
98	S	98	THR	0	-0.012	-0.006	21.876	-0.011	-0.011	0.000	0.000	0.000	0.000
99	S	99	LEU	0	0.013	0.023	24.393	0.011	0.011	0.000	0.000	0.000	0.000
100	S	100	GLY	0	0.011	0.000	27.644	0.005	0.005	0.000	0.000	0.000	0.000
101	S	101	THR	0	-0.073	-0.031	24.566	0.002	0.002	0.000	0.000	0.000	0.000
102	S	102	GLU	-1	-0.877	-0.932	20.779	-0.346	-0.346	0.000	0.000	0.000	0.000
103	S	103	THR	0	-0.011	-0.018	24.034	0.009	0.009	0.000	0.000	0.000	0.000
104	S	104	TYR	0	-0.006	0.002	22.799	0.018	0.018	0.000	0.000	0.000	0.000
105	S	105	ARG	1	0.790	0.851	24.951	0.144	0.144	0.000	0.000	0.000	0.000
106	S	106	PRO	0	0.009	0.018	25.236	0.000	0.000	0.000	0.000	0.000	0.000
107	S	107	SER	0	-0.034	-0.017	24.435	-0.020	-0.020	0.000	0.000	0.000	0.000
108	S	108	SER	0	0.014	-0.022	19.151	0.004	0.004	0.000	0.000	0.000	0.000
109	S	109	ALA	0	0.004	-0.012	22.174	-0.018	-0.018	0.000	0.000	0.000	0.000
110	S	110	SER	0	-0.002	-0.012	23.574	-0.005	-0.005	0.000	0.000	0.000	0.000
111	S	111	GLN	0	0.036	0.012	23.479	-0.004	-0.004	0.000	0.000	0.000	0.000
112	S	112	CYS	0	-0.085	-0.028	21.480	-0.003	-0.003	0.000	0.000	0.000	0.000
113	S	113	VAL	0	-0.003	-0.003	23.607	0.002	0.002	0.000	0.000	0.000	0.000
114	S	114	ALA	0	0.051	0.028	26.673	0.009	0.009	0.000	0.000	0.000	0.000
115	S	115	GLY	0	0.032	0.026	25.644	0.011	0.011	0.000	0.000	0.000	0.000
116	S	116	ILE	0	-0.031	-0.016	22.973	0.006	0.006	0.000	0.000	0.000	0.000
117	S	117	ALA	0	-0.001	-0.010	26.834	0.012	0.012	0.000	0.000	0.000	0.000
118	S	118	CYS	0	-0.010	0.001	30.134	0.015	0.015	0.000	0.000	0.000	0.000
119	S	119	ALA	0	0.010	0.012	28.682	0.010	0.010	0.000	0.000	0.000	0.000
120	S	120	GLU	-1	-0.819	-0.916	28.585	-0.252	-0.252	0.000	0.000	0.000	0.000
121	S	121	ILE	0	0.026	0.007	31.658	0.005	0.005	0.000	0.000	0.000	0.000
122	S	122	PRO	0	0.021	0.028	33.832	0.007	0.007	0.000	0.000	0.000	0.000
123	S	123	VAL	0	-0.058	-0.011	35.193	0.007	0.007	0.000	0.000	0.000	0.000
124	S	124	ASN	0	-0.047	-0.020	36.017	0.007	0.007	0.000	0.000	0.000	0.000
125	S	125	GLN	0	-0.037	-0.030	31.402	0.012	0.012	0.000	0.000	0.000	0.000
126	S	126	TRP	0	-0.023	-0.017	27.515	-0.021	-0.021	0.000	0.000	0.000	0.000
127	S	127	PRO	0	0.040	0.031	33.220	0.002	0.002	0.000	0.000	0.000	0.000
128	S	128	GLU	-1	-0.900	-0.969	32.733	-0.203	-0.203	0.000	0.000	0.000	0.000
129	S	129	LEU	0	-0.018	0.006	30.844	0.002	0.002	0.000	0.000	0.000	0.000
130	S	130	ILE	0	0.060	0.020	34.102	0.002	0.002	0.000	0.000	0.000	0.000
131	S	131	PRO	0	0.008	0.007	37.248	0.005	0.005	0.000	0.000	0.000	0.000
132	S	132	GLN	0	-0.026	-0.010	32.658	0.003	0.003	0.000	0.000	0.000	0.000
133	S	133	LEU	0	0.007	-0.009	31.893	0.001	0.001	0.000	0.000	0.000	0.000
134	S	134	VAL	0	0.049	0.020	35.658	0.005	0.005	0.000	0.000	0.000	0.000
135	S	135	ALA	0	-0.029	0.009	37.565	0.006	0.006	0.000	0.000	0.000	0.000
136	S	136	ASN	0	-0.045	-0.030	32.094	0.007	0.007	0.000	0.000	0.000	0.000
137	S	137	VAL	0	-0.012	0.001	36.478	0.001	0.001	0.000	0.000	0.000	0.000
138	S	138	THR	0	-0.046	-0.049	39.152	0.007	0.007	0.000	0.000	0.000	0.000
139	S	139	ASN	0	-0.012	0.008	39.342	0.012	0.012	0.000	0.000	0.000	0.000
140	S	140	PRO	0	0.032	0.014	40.567	-0.002	-0.002	0.000	0.000	0.000	0.000
141	S	141	ASN	0	-0.045	-0.023	40.248	0.003	0.003	0.000	0.000	0.000	0.000
142	S	142	SER	0	-0.008	-0.018	36.269	-0.011	-0.011	0.000	0.000	0.000	0.000
143	S	143	THR	0	-0.011	-0.008	32.300	0.009	0.009	0.000	0.000	0.000	0.000
144	S	144	GLU	-1	-0.759	-0.812	33.803	-0.123	-0.123	0.000	0.000	0.000	0.000
145	S	145	HIS	0	0.074	0.033	28.475	0.003	0.003	0.000	0.000	0.000	0.000
146	S	146	MET	0	-0.012	0.003	31.274	-0.012	-0.012	0.000	0.000	0.000	0.000
147	S	147	LYS	1	0.836	0.945	32.593	0.116	0.116	0.000	0.000	0.000	0.000
148	S	148	GLU	-1	-0.774	-0.865	32.201	-0.147	-0.147	0.000	0.000	0.000	0.000
149	S	149	SER	0	0.009	-0.012	28.132	0.001	0.001	0.000	0.000	0.000	0.000
150	S	150	THR	0	-0.041	-0.035	30.360	-0.014	-0.014	0.000	0.000	0.000	0.000
151	S	151	LEU	0	-0.020	-0.014	32.680	-0.001	-0.001	0.000	0.000	0.000	0.000
152	S	152	GLU	-1	-0.790	-0.857	28.495	-0.207	-0.207	0.000	0.000	0.000	0.000
153	S	153	ALA	0	0.006	0.010	29.786	-0.001	-0.001	0.000	0.000	0.000	0.000
154	S	154	ILE	0	-0.023	-0.008	31.215	0.001	0.001	0.000	0.000	0.000	0.000
155	S	155	GLY	0	0.070	0.037	34.679	0.005	0.005	0.000	0.000	0.000	0.000
156	S	156	TYR	0	-0.069	-0.056	28.375	0.003	0.003	0.000	0.000	0.000	0.000
157	S	157	ILE	0	-0.036	-0.027	31.670	-0.002	-0.002	0.000	0.000	0.000	0.000
158	S	158	CYS	0	-0.088	-0.043	33.779	0.005	0.005	0.000	0.000	0.000	0.000
159	S	159	GLN	0	-0.068	-0.027	31.210	0.011	0.011	0.000	0.000	0.000	0.000
160	S	160	ASP	-1	-0.857	-0.902	31.425	-0.178	-0.178	0.000	0.000	0.000	0.000
161	S	161	ILE	0	-0.047	-0.024	34.082	-0.008	-0.008	0.000	0.000	0.000	0.000
162	S	162	ASP	-1	-0.844	-0.913	36.725	-0.122	-0.122	0.000	0.000	0.000	0.000
163	S	163	PRO	0	0.048	0.020	40.349	-0.003	-0.003	0.000	0.000	0.000	0.000
164	S	164	GLU	-1	-0.874	-0.937	43.352	-0.097	-0.097	0.000	0.000	0.000	0.000
165	S	165	GLN	0	-0.083	-0.066	37.514	-0.013	-0.013	0.000	0.000	0.000	0.000
166	S	166	LEU	0	-0.021	0.004	37.573	-0.004	-0.004	0.000	0.000	0.000	0.000
167	S	167	GLN	0	-0.005	0.005	41.708	0.005	0.005	0.000	0.000	0.000	0.000
168	S	168	ASP	-1	-0.949	-0.959	44.881	-0.100	-0.100	0.000	0.000	0.000	0.000
169	S	169	LYS	1	0.797	0.881	40.478	0.124	0.124	0.000	0.000	0.000	0.000
170	S	170	SER	0	0.041	0.023	43.004	-0.002	-0.002	0.000	0.000	0.000	0.000
171	S	171	ASN	0	0.007	0.007	44.988	0.000	0.000	0.000	0.000	0.000	0.000
172	S	172	GLU	-1	-0.843	-0.913	42.290	-0.117	-0.117	0.000	0.000	0.000	0.000
173	S	173	ILE	0	0.024	0.009	39.208	-0.003	-0.003	0.000	0.000	0.000	0.000
174	S	174	LEU	0	0.032	0.009	41.581	-0.001	-0.001	0.000	0.000	0.000	0.000
175	S	175	THR	0	-0.051	-0.026	44.440	0.004	0.004	0.000	0.000	0.000	0.000
176	S	176	ALA	0	-0.016	-0.004	39.524	0.001	0.001	0.000	0.000	0.000	0.000
177	S	177	ILE	0	0.011	0.003	39.879	0.001	0.001	0.000	0.000	0.000	0.000
178	S	178	ILE	0	0.018	0.001	41.804	0.002	0.002	0.000	0.000	0.000	0.000
179	S	179	GLN	0	-0.057	-0.038	43.218	0.007	0.007	0.000	0.000	0.000	0.000
180	S	180	GLY	0	-0.011	-0.004	40.861	0.001	0.001	0.000	0.000	0.000	0.000
181	S	181	MET	0	-0.014	-0.006	41.731	0.001	0.001	0.000	0.000	0.000	0.000
182	S	182	ARG	1	0.808	0.913	44.365	0.096	0.096	0.000	0.000	0.000	0.000
183	S	183	LYS	1	0.937	0.949	46.472	0.061	0.061	0.000	0.000	0.000	0.000
184	S	184	GLU	-1	-0.866	-0.940	48.167	-0.078	-0.078	0.000	0.000	0.000	0.000
185	S	185	GLU	-1	-0.789	-0.860	41.281	-0.107	-0.107	0.000	0.000	0.000	0.000
186	S	186	PRO	0	-0.047	-0.026	41.846	0.002	0.002	0.000	0.000	0.000	0.000
187	S	187	SER	0	-0.040	-0.053	37.199	0.003	0.003	0.000	0.000	0.000	0.000
188	S	188	ASN	0	0.019	-0.011	40.165	0.001	0.001	0.000	0.000	0.000	0.000
189	S	189	ASN	0	0.003	-0.002	35.017	0.004	0.004	0.000	0.000	0.000	0.000
190	S	190	VAL	0	-0.005	-0.004	36.345	-0.005	-0.005	0.000	0.000	0.000	0.000
191	S	191	LYS	1	0.861	0.934	37.708	0.082	0.082	0.000	0.000	0.000	0.000
192	S	192	LEU	0	-0.015	0.022	36.162	0.001	0.001	0.000	0.000	0.000	0.000
193	S	193	ALA	0	0.043	0.025	34.849	0.000	0.000	0.000	0.000	0.000	0.000
194	S	194	ALA	0	-0.025	-0.007	36.608	-0.002	-0.002	0.000	0.000	0.000	0.000
195	S	195	THR	0	-0.001	-0.024	39.581	0.003	0.003	0.000	0.000	0.000	0.000
196	S	196	ASN	0	-0.025	-0.013	37.198	0.001	0.001	0.000	0.000	0.000	0.000
197	S	197	ALA	0	0.033	0.012	37.230	0.000	0.000	0.000	0.000	0.000	0.000
198	S	198	LEU	0	-0.011	0.003	38.686	0.000	0.000	0.000	0.000	0.000	0.000
199	S	199	LEU	0	0.019	0.025	40.741	0.002	0.002	0.000	0.000	0.000	0.000
200	S	200	ASN	0	-0.047	-0.022	36.832	0.001	0.001	0.000	0.000	0.000	0.000
201	S	201	SER	0	-0.010	-0.034	39.996	-0.001	-0.001	0.000	0.000	0.000	0.000
202	S	202	LEU	0	-0.028	-0.008	42.380	0.002	0.002	0.000	0.000	0.000	0.000
203	S	203	GLU	-1	-0.783	-0.866	42.698	-0.090	-0.090	0.000	0.000	0.000	0.000
204	S	204	PHE	0	-0.019	-0.004	40.609	0.001	0.001	0.000	0.000	0.000	0.000
205	S	205	THR	0	0.016	0.000	45.960	0.000	0.000	0.000	0.000	0.000	0.000
206	S	206	LYS	1	0.903	0.948	48.557	0.070	0.070	0.000	0.000	0.000	0.000
207	S	207	ALA	0	0.025	0.010	51.407	0.003	0.003	0.000	0.000	0.000	0.000
208	S	208	ASN	0	-0.030	-0.038	49.123	0.001	0.001	0.000	0.000	0.000	0.000
209	S	209	PHE	0	0.060	0.030	49.340	0.002	0.002	0.000	0.000	0.000	0.000
210	S	210	ASP	-1	-0.796	-0.846	54.065	-0.063	-0.063	0.000	0.000	0.000	0.000
211	S	211	LYS	1	0.794	0.887	55.502	0.075	0.075	0.000	0.000	0.000	0.000
212	S	212	GLU	-1	-0.877	-0.949	56.488	-0.061	-0.061	0.000	0.000	0.000	0.000
213	S	213	SER	0	-0.083	-0.042	56.516	0.000	0.000	0.000	0.000	0.000	0.000
214	S	214	GLU	-1	-0.783	-0.878	52.054	-0.076	-0.076	0.000	0.000	0.000	0.000
215	S	215	ARG	1	0.915	0.967	53.325	0.061	0.061	0.000	0.000	0.000	0.000
216	S	216	HIS	0	0.013	0.023	54.754	-0.001	-0.001	0.000	0.000	0.000	0.000
217	S	217	PHE	0	-0.018	-0.003	49.725	0.000	0.000	0.000	0.000	0.000	0.000
218	S	218	ILE	0	0.021	0.003	49.234	-0.001	-0.001	0.000	0.000	0.000	0.000
219	S	219	MET	0	0.014	0.020	51.099	-0.001	-0.001	0.000	0.000	0.000	0.000
220	S	220	GLN	0	-0.069	-0.031	53.529	0.002	0.002	0.000	0.000	0.000	0.000
221	S	221	VAL	0	0.013	0.002	47.913	0.001	0.001	0.000	0.000	0.000	0.000
222	S	222	VAL	0	0.049	0.029	47.653	-0.001	-0.001	0.000	0.000	0.000	0.000
223	S	223	CYS	0	-0.030	-0.004	49.721	0.002	0.002	0.000	0.000	0.000	0.000
224	S	224	GLU	-1	-0.897	-0.943	51.325	-0.064	-0.064	0.000	0.000	0.000	0.000
225	S	225	ALA	0	-0.001	0.001	46.340	0.001	0.001	0.000	0.000	0.000	0.000
226	S	226	THR	0	0.000	-0.014	47.859	0.000	0.000	0.000	0.000	0.000	0.000
227	S	227	GLN	0	-0.065	-0.034	49.935	0.002	0.002	0.000	0.000	0.000	0.000
228	S	228	CYS	0	-0.041	-0.001	45.410	0.001	0.001	0.000	0.000	0.000	0.000
229	S	229	PRO	0	-0.037	-0.027	47.080	0.001	0.001	0.000	0.000	0.000	0.000
230	S	230	ASP	-1	-0.807	-0.886	41.236	-0.082	-0.082	0.000	0.000	0.000	0.000
231	S	231	THR	0	0.065	0.020	43.525	-0.002	-0.002	0.000	0.000	0.000	0.000
232	S	232	ARG	1	0.819	0.891	36.452	0.093	0.093	0.000	0.000	0.000	0.000
233	S	233	VAL	0	-0.018	-0.011	41.465	-0.004	-0.004	0.000	0.000	0.000	0.000
234	S	234	ARG	1	0.857	0.935	43.447	0.055	0.055	0.000	0.000	0.000	0.000
235	S	235	VAL	0	0.008	0.018	42.631	0.001	0.001	0.000	0.000	0.000	0.000
236	S	236	ALA	0	0.053	0.029	41.262	0.000	0.000	0.000	0.000	0.000	0.000
237	S	237	ALA	0	-0.014	-0.007	43.212	-0.001	-0.001	0.000	0.000	0.000	0.000
238	S	238	LEU	0	0.009	-0.003	46.532	0.001	0.001	0.000	0.000	0.000	0.000
239	S	239	GLN	0	0.019	0.007	41.767	-0.003	-0.003	0.000	0.000	0.000	0.000
240	S	240	ASN	0	-0.056	-0.045	43.392	-0.002	-0.002	0.000	0.000	0.000	0.000
241	S	241	LEU	0	-0.015	-0.009	47.002	0.001	0.001	0.000	0.000	0.000	0.000
242	S	242	VAL	0	0.004	0.001	48.573	0.002	0.002	0.000	0.000	0.000	0.000
243	S	243	LYS	1	0.825	0.894	44.056	0.090	0.090	0.000	0.000	0.000	0.000
244	S	244	ILE	0	-0.024	-0.035	48.701	0.000	0.000	0.000	0.000	0.000	0.000
245	S	245	MET	0	-0.044	-0.003	51.172	0.002	0.002	0.000	0.000	0.000	0.000
246	S	246	SER	0	-0.001	-0.014	51.016	0.000	0.000	0.000	0.000	0.000	0.000
247	S	247	LEU	0	-0.038	-0.016	48.262	0.000	0.000	0.000	0.000	0.000	0.000
248	S	248	TYR	0	-0.059	-0.042	49.423	0.001	0.001	0.000	0.000	0.000	0.000
249	S	249	TYR	0	0.074	0.008	55.156	0.002	0.002	0.000	0.000	0.000	0.000
250	S	250	GLN	0	-0.005	-0.027	57.993	0.002	0.002	0.000	0.000	0.000	0.000
251	S	251	TYR	0	-0.096	-0.068	57.023	0.001	0.001	0.000	0.000	0.000	0.000
252	S	252	MET	0	-0.015	-0.006	55.301	-0.001	-0.001	0.000	0.000	0.000	0.000
253	S	253	GLU	-1	-0.852	-0.917	59.370	-0.044	-0.044	0.000	0.000	0.000	0.000
254	S	254	THR	0	-0.063	-0.044	60.928	0.001	0.001	0.000	0.000	0.000	0.000
255	S	255	TYR	0	-0.040	-0.055	58.260	0.000	0.000	0.000	0.000	0.000	0.000
256	S	256	MET	0	0.003	0.025	59.579	0.000	0.000	0.000	0.000	0.000	0.000
257	S	257	GLY	0	0.013	0.014	61.272	0.001	0.001	0.000	0.000	0.000	0.000
258	S	258	PRO	0	-0.060	-0.030	62.239	0.001	0.001	0.000	0.000	0.000	0.000
259	S	259	ALA	0	-0.010	-0.004	58.175	0.000	0.000	0.000	0.000	0.000	0.000
260	S	260	LEU	0	0.040	0.008	55.127	0.000	0.000	0.000	0.000	0.000	0.000
261	S	261	PHE	0	0.038	0.045	57.831	0.000	0.000	0.000	0.000	0.000	0.000
262	S	262	ALA	0	-0.022	-0.011	59.867	0.001	0.001	0.000	0.000	0.000	0.000
263	S	263	ILE	0	0.008	-0.005	53.877	0.000	0.000	0.000	0.000	0.000	0.000
264	S	264	THR	0	0.001	-0.015	53.974	0.000	0.000	0.000	0.000	0.000	0.000
265	S	265	ILE	0	0.039	0.020	55.854	0.000	0.000	0.000	0.000	0.000	0.000
266	S	266	GLU	-1	-0.872	-0.929	54.895	-0.045	-0.045	0.000	0.000	0.000	0.000
267	S	267	ALA	0	0.009	0.011	52.057	0.001	0.001	0.000	0.000	0.000	0.000
268	S	268	MET	0	-0.007	0.003	53.428	0.000	0.000	0.000	0.000	0.000	0.000
269	S	269	LYS	1	0.798	0.912	55.371	0.043	0.043	0.000	0.000	0.000	0.000
270	S	270	SER	0	-0.085	-0.035	51.325	0.001	0.001	0.000	0.000	0.000	0.000
271	S	271	ASP	-1	-0.853	-0.931	50.907	-0.045	-0.045	0.000	0.000	0.000	0.000
272	S	272	ILE	0	-0.060	-0.031	46.051	0.000	0.000	0.000	0.000	0.000	0.000
273	S	273	ASP	-1	-0.780	-0.897	47.030	-0.045	-0.045	0.000	0.000	0.000	0.000
274	S	274	GLU	-1	-0.857	-0.930	41.336	-0.075	-0.075	0.000	0.000	0.000	0.000
275	S	275	VAL	0	-0.056	-0.031	45.952	-0.002	-0.002	0.000	0.000	0.000	0.000
276	S	276	ALA	0	0.018	0.015	48.536	0.000	0.000	0.000	0.000	0.000	0.000
277	S	277	LEU	0	0.006	0.007	46.316	0.000	0.000	0.000	0.000	0.000	0.000
278	S	278	GLN	0	-0.017	-0.013	45.104	-0.003	-0.003	0.000	0.000	0.000	0.000
279	S	279	GLY	0	-0.009	-0.004	49.111	0.000	0.000	0.000	0.000	0.000	0.000
280	S	280	ILE	0	-0.018	-0.024	52.740	0.001	0.001	0.000	0.000	0.000	0.000
281	S	281	GLU	-1	-0.807	-0.917	49.110	-0.054	-0.054	0.000	0.000	0.000	0.000
282	S	282	PHE	0	-0.049	-0.011	52.063	-0.001	-0.001	0.000	0.000	0.000	0.000
283	S	283	TRP	0	0.038	-0.016	53.691	0.001	0.001	0.000	0.000	0.000	0.000
284	S	284	SER	0	-0.010	-0.006	53.494	0.002	0.002	0.000	0.000	0.000	0.000
285	S	285	ASN	0	-0.009	-0.021	52.828	0.000	0.000	0.000	0.000	0.000	0.000
286	S	286	VAL	0	-0.044	-0.026	54.964	0.001	0.001	0.000	0.000	0.000	0.000
287	S	287	CYS	0	-0.076	-0.046	58.217	0.002	0.002	0.000	0.000	0.000	0.000
288	S	288	ASP	-1	-0.855	-0.919	55.475	-0.049	-0.049	0.000	0.000	0.000	0.000
289	S	289	GLU	-1	-0.770	-0.870	54.627	-0.058	-0.058	0.000	0.000	0.000	0.000
290	S	290	GLU	-1	-0.819	-0.884	58.697	-0.042	-0.042	0.000	0.000	0.000	0.000
291	S	291	MET	0	-0.006	-0.010	61.046	0.001	0.001	0.000	0.000	0.000	0.000
292	S	292	ASP	-1	-0.894	-0.933	59.667	-0.047	-0.047	0.000	0.000	0.000	0.000
293	S	293	LEU	0	-0.013	-0.021	61.596	0.001	0.001	0.000	0.000	0.000	0.000
294	S	294	ALA	0	-0.047	-0.019	63.883	0.001	0.001	0.000	0.000	0.000	0.000
295	S	295	ILE	0	0.034	0.033	62.758	0.002	0.002	0.000	0.000	0.000	0.000
296	S	296	GLU	-1	-0.772	-0.870	63.864	-0.045	-0.045	0.000	0.000	0.000	0.000
297	S	297	ALA	0	-0.041	-0.035	66.201	0.001	0.001	0.000	0.000	0.000	0.000
298	S	298	SER	0	-0.049	-0.027	69.353	0.002	0.002	0.000	0.000	0.000	0.000
299	S	299	GLU	-1	-0.915	-0.954	66.273	-0.039	-0.039	0.000	0.000	0.000	0.000
300	S	300	ALA	0	-0.025	-0.013	69.575	0.001	0.001	0.000	0.000	0.000	0.000
301	S	301	ALA	0	-0.009	-0.005	71.319	0.001	0.001	0.000	0.000	0.000	0.000
302	S	302	GLU	-1	-0.987	-0.989	72.718	-0.031	-0.031	0.000	0.000	0.000	0.000
303	S	303	GLN	0	-0.118	-0.055	69.877	0.000	0.000	0.000	0.000	0.000	0.000
304	S	304	GLY	0	-0.043	-0.014	75.301	0.000	0.000	0.000	0.000	0.000	0.000
305	S	305	ARG	1	0.683	0.814	69.102	0.041	0.041	0.000	0.000	0.000	0.000
306	S	306	PRO	0	-0.015	-0.016	72.429	0.000	0.000	0.000	0.000	0.000	0.000
307	S	307	PRO	0	0.068	0.042	68.355	0.000	0.000	0.000	0.000	0.000	0.000
308	S	308	GLU	-1	-0.882	-0.917	65.041	-0.044	-0.044	0.000	0.000	0.000	0.000
309	S	309	HIS	0	-0.120	-0.072	61.982	-0.002	-0.002	0.000	0.000	0.000	0.000
310	S	310	THR	0	-0.034	-0.015	65.065	0.001	0.001	0.000	0.000	0.000	0.000
311	S	311	SER	0	0.084	0.045	65.095	-0.002	-0.002	0.000	0.000	0.000	0.000
312	S	312	LYS	1	0.836	0.923	64.360	0.047	0.047	0.000	0.000	0.000	0.000
313	S	313	PHE	0	-0.043	-0.009	66.298	0.001	0.001	0.000	0.000	0.000	0.000
314	S	314	TYR	0	0.023	0.004	61.323	0.001	0.001	0.000	0.000	0.000	0.000
315	S	315	ALA	0	0.021	0.005	62.807	0.001	0.001	0.000	0.000	0.000	0.000
316	S	316	LYS	1	0.842	0.893	64.397	0.032	0.032	0.000	0.000	0.000	0.000
317	S	317	GLY	0	-0.049	-0.015	67.728	0.001	0.001	0.000	0.000	0.000	0.000
318	S	318	ALA	0	0.004	-0.012	63.453	0.001	0.001	0.000	0.000	0.000	0.000
319	S	319	LEU	0	0.035	0.031	65.500	0.000	0.000	0.000	0.000	0.000	0.000
320	S	320	GLN	0	-0.017	-0.012	66.694	0.001	0.001	0.000	0.000	0.000	0.000
321	S	321	TYR	0	-0.089	-0.054	64.827	0.001	0.001	0.000	0.000	0.000	0.000
322	S	322	LEU	0	0.033	0.018	60.195	0.000	0.000	0.000	0.000	0.000	0.000
323	S	323	VAL	0	0.052	0.036	62.530	0.000	0.000	0.000	0.000	0.000	0.000
324	S	324	PRO	0	-0.044	-0.021	64.057	0.000	0.000	0.000	0.000	0.000	0.000
325	S	325	ILE	0	-0.035	-0.016	58.944	0.000	0.000	0.000	0.000	0.000	0.000
326	S	326	LEU	0	0.007	0.013	58.152	0.000	0.000	0.000	0.000	0.000	0.000
327	S	327	THR	0	0.035	0.001	59.920	0.000	0.000	0.000	0.000	0.000	0.000
328	S	328	GLN	0	-0.005	0.009	60.818	0.002	0.002	0.000	0.000	0.000	0.000
329	S	329	THR	0	-0.008	-0.016	55.132	0.000	0.000	0.000	0.000	0.000	0.000
330	S	330	LEU	0	-0.021	-0.006	56.575	0.000	0.000	0.000	0.000	0.000	0.000
331	S	331	THR	0	-0.023	-0.004	58.683	0.001	0.001	0.000	0.000	0.000	0.000
332	S	332	LYS	1	0.816	0.905	51.022	0.042	0.042	0.000	0.000	0.000	0.000
333	S	333	GLN	0	0.057	0.012	52.996	-0.002	-0.002	0.000	0.000	0.000	0.000
334	S	334	ASP	-1	-0.777	-0.897	48.168	-0.031	-0.031	0.000	0.000	0.000	0.000
335	S	335	GLU	-1	-0.945	-0.965	50.362	-0.020	-0.020	0.000	0.000	0.000	0.000
336	S	336	ASN	0	-0.130	-0.078	47.145	0.002	0.002	0.000	0.000	0.000	0.000
337	S	337	ASP	-1	-0.927	-0.945	49.200	-0.028	-0.028	0.000	0.000	0.000	0.000
338	S	338	ASP	-1	-0.868	-0.921	43.494	-0.041	-0.041	0.000	0.000	0.000	0.000
339	S	339	ASP	-1	-0.935	-0.973	46.881	-0.033	-0.033	0.000	0.000	0.000	0.000
340	S	340	ASP	-1	-1.006	-0.993	42.932	-0.050	-0.050	0.000	0.000	0.000	0.000
341	S	341	ASP	-1	-0.815	-0.905	44.236	-0.051	-0.051	0.000	0.000	0.000	0.000
342	S	342	TRP	0	-0.061	-0.030	45.152	0.003	0.003	0.000	0.000	0.000	0.000
343	S	343	ASN	0	-0.002	-0.023	46.995	-0.001	-0.001	0.000	0.000	0.000	0.000
344	S	344	PRO	0	-0.036	-0.035	48.442	0.001	0.001	0.000	0.000	0.000	0.000
345	S	345	CYS	0	-0.030	0.015	51.659	0.001	0.001	0.000	0.000	0.000	0.000
346	S	346	LYS	1	0.829	0.923	48.174	0.042	0.042	0.000	0.000	0.000	0.000
347	S	347	ALA	0	0.046	0.030	50.815	0.001	0.001	0.000	0.000	0.000	0.000
348	S	348	ALA	0	-0.022	-0.014	52.814	0.000	0.000	0.000	0.000	0.000	0.000
349	S	349	GLY	0	0.050	0.020	56.237	0.001	0.001	0.000	0.000	0.000	0.000
350	S	350	VAL	0	0.010	0.001	53.682	0.001	0.001	0.000	0.000	0.000	0.000
351	S	351	CYS	0	-0.029	0.012	56.022	0.000	0.000	0.000	0.000	0.000	0.000
352	S	352	LEU	0	-0.023	-0.026	57.657	0.001	0.001	0.000	0.000	0.000	0.000
353	S	353	MET	0	-0.023	-0.007	57.925	0.002	0.002	0.000	0.000	0.000	0.000
354	S	354	LEU	0	0.044	0.030	55.873	0.001	0.001	0.000	0.000	0.000	0.000
355	S	355	LEU	0	-0.008	-0.019	60.494	0.000	0.000	0.000	0.000	0.000	0.000
356	S	356	ALA	0	-0.060	-0.042	63.012	0.001	0.001	0.000	0.000	0.000	0.000
357	S	357	THR	0	0.021	0.018	62.795	0.001	0.001	0.000	0.000	0.000	0.000
358	S	358	CYS	0	-0.039	-0.009	62.898	-0.001	-0.001	0.000	0.000	0.000	0.000
359	S	359	CYS	0	-0.086	-0.042	65.530	0.000	0.000	0.000	0.000	0.000	0.000
360	S	360	GLU	-1	-0.775	-0.884	68.205	-0.031	-0.031	0.000	0.000	0.000	0.000
361	S	361	ASP	-1	-0.829	-0.930	70.171	-0.026	-0.026	0.000	0.000	0.000	0.000
362	S	362	ASP	-1	-0.826	-0.874	70.835	-0.030	-0.030	0.000	0.000	0.000	0.000
363	S	363	ILE	0	-0.009	0.005	65.611	0.001	0.001	0.000	0.000	0.000	0.000
364	S	364	VAL	0	0.029	0.024	70.084	0.000	0.000	0.000	0.000	0.000	0.000
365	S	365	PRO	0	-0.049	-0.036	72.589	0.001	0.001	0.000	0.000	0.000	0.000
366	S	366	HIS	0	-0.054	-0.040	69.455	0.000	0.000	0.000	0.000	0.000	0.000
367	S	367	VAL	0	0.030	0.018	67.057	0.000	0.000	0.000	0.000	0.000	0.000
368	S	368	LEU	0	-0.019	-0.002	69.685	0.001	0.001	0.000	0.000	0.000	0.000
369	S	369	PRO	0	-0.015	-0.004	72.176	0.001	0.001	0.000	0.000	0.000	0.000
370	S	370	PHE	0	0.072	0.034	64.189	0.001	0.001	0.000	0.000	0.000	0.000
371	S	371	ILE	0	0.032	0.014	68.354	0.001	0.001	0.000	0.000	0.000	0.000
372	S	372	LYS	1	0.830	0.897	70.204	0.020	0.020	0.000	0.000	0.000	0.000
373	S	373	GLU	-1	-0.988	-0.993	71.436	-0.021	-0.021	0.000	0.000	0.000	0.000
374	S	374	HIS	0	0.037	0.031	67.295	0.001	0.001	0.000	0.000	0.000	0.000
375	S	375	ILE	0	-0.002	0.016	68.634	0.000	0.000	0.000	0.000	0.000	0.000
376	S	376	LYS	1	0.876	0.919	70.495	0.016	0.016	0.000	0.000	0.000	0.000
377	S	377	ASN	0	-0.007	0.013	66.640	0.001	0.001	0.000	0.000	0.000	0.000
378	S	378	PRO	0	0.001	-0.014	67.536	0.000	0.000	0.000	0.000	0.000	0.000
379	S	379	ASP	-1	-0.846	-0.905	61.467	-0.021	-0.021	0.000	0.000	0.000	0.000
380	S	380	TRP	0	0.014	-0.002	55.928	0.000	0.000	0.000	0.000	0.000	0.000
381	S	381	ARG	1	0.790	0.896	53.736	0.026	0.026	0.000	0.000	0.000	0.000
382	S	382	TYR	0	-0.021	-0.027	60.768	-0.001	-0.001	0.000	0.000	0.000	0.000
383	S	383	ARG	1	0.733	0.852	63.921	0.016	0.016	0.000	0.000	0.000	0.000
384	S	384	ASP	-1	-0.793	-0.884	59.067	-0.026	-0.026	0.000	0.000	0.000	0.000
385	S	385	ALA	0	0.034	0.030	61.587	0.000	0.000	0.000	0.000	0.000	0.000
386	S	386	ALA	0	-0.048	-0.018	62.676	-0.001	-0.001	0.000	0.000	0.000	0.000
387	S	387	VAL	0	-0.026	-0.022	64.827	0.000	0.000	0.000	0.000	0.000	0.000
388	S	388	MET	0	0.057	0.028	57.799	-0.001	-0.001	0.000	0.000	0.000	0.000
389	S	389	ALA	0	0.036	0.016	62.929	-0.001	-0.001	0.000	0.000	0.000	0.000
390	S	390	PHE	0	-0.066	-0.046	64.739	0.000	0.000	0.000	0.000	0.000	0.000
391	S	391	GLY	0	0.050	0.029	64.647	0.000	0.000	0.000	0.000	0.000	0.000
392	S	392	CYS	0	-0.056	-0.029	61.592	-0.001	-0.001	0.000	0.000	0.000	0.000
393	S	393	ILE	0	-0.021	-0.017	63.626	-0.001	-0.001	0.000	0.000	0.000	0.000
394	S	394	LEU	0	-0.056	-0.024	66.481	0.001	0.001	0.000	0.000	0.000	0.000
395	S	395	GLU	-1	-0.823	-0.884	63.019	-0.032	-0.032	0.000	0.000	0.000	0.000
396	S	396	GLY	0	0.051	0.031	66.938	-0.001	-0.001	0.000	0.000	0.000	0.000
397	S	397	PRO	0	-0.116	-0.045	68.585	0.001	0.001	0.000	0.000	0.000	0.000
398	S	398	GLU	-1	-0.809	-0.881	71.966	-0.024	-0.024	0.000	0.000	0.000	0.000
399	S	399	PRO	0	0.038	-0.001	73.514	0.001	0.001	0.000	0.000	0.000	0.000
400	S	400	SER	0	-0.104	-0.078	75.655	0.001	0.001	0.000	0.000	0.000	0.000
401	S	401	GLN	0	-0.098	-0.050	76.197	0.001	0.001	0.000	0.000	0.000	0.000
402	S	402	LEU	0	0.038	0.023	71.374	0.001	0.001	0.000	0.000	0.000	0.000
403	S	403	LYS	1	0.857	0.923	75.293	0.021	0.021	0.000	0.000	0.000	0.000
404	S	404	PRO	0	-0.030	-0.020	77.508	0.001	0.001	0.000	0.000	0.000	0.000
405	S	405	LEU	0	-0.015	-0.010	75.131	0.001	0.001	0.000	0.000	0.000	0.000
406	S	406	VAL	0	0.048	0.024	72.821	0.000	0.000	0.000	0.000	0.000	0.000
407	S	407	ILE	0	-0.003	0.017	75.412	0.001	0.001	0.000	0.000	0.000	0.000
408	S	408	GLN	0	-0.050	-0.021	77.760	0.000	0.000	0.000	0.000	0.000	0.000
409	S	409	ALA	0	-0.022	-0.006	73.513	0.000	0.000	0.000	0.000	0.000	0.000
410	S	410	MET	0	0.026	0.017	72.274	0.001	0.001	0.000	0.000	0.000	0.000
411	S	411	PRO	0	-0.008	-0.008	74.583	0.000	0.000	0.000	0.000	0.000	0.000
412	S	412	THR	0	-0.043	-0.028	73.602	0.001	0.001	0.000	0.000	0.000	0.000
413	S	413	LEU	0	0.016	0.013	68.074	0.000	0.000	0.000	0.000	0.000	0.000
414	S	414	ILE	0	0.003	-0.004	70.497	0.000	0.000	0.000	0.000	0.000	0.000
415	S	415	GLU	-1	-0.969	-0.979	71.667	-0.011	-0.011	0.000	0.000	0.000	0.000
416	S	416	LEU	0	-0.042	-0.017	68.021	0.000	0.000	0.000	0.000	0.000	0.000
417	S	417	MET	0	0.028	0.023	67.074	-0.001	-0.001	0.000	0.000	0.000	0.000
418	S	418	LYS	1	0.785	0.869	66.806	0.010	0.010	0.000	0.000	0.000	0.000
419	S	419	ASP	-1	-0.760	-0.865	65.634	-0.015	-0.015	0.000	0.000	0.000	0.000
420	S	420	PRO	0	-0.044	-0.037	65.360	0.000	0.000	0.000	0.000	0.000	0.000
421	S	421	SER	0	-0.060	-0.027	60.971	0.000	0.000	0.000	0.000	0.000	0.000
422	S	422	VAL	0	0.007	-0.014	57.568	0.000	0.000	0.000	0.000	0.000	0.000
423	S	423	VAL	0	0.076	0.045	56.635	0.000	0.000	0.000	0.000	0.000	0.000
424	S	424	VAL	0	-0.010	0.005	59.239	-0.001	-0.001	0.000	0.000	0.000	0.000
425	S	425	ARG	1	0.788	0.898	61.266	0.013	0.013	0.000	0.000	0.000	0.000
426	S	426	ASP	-1	-0.840	-0.916	57.380	-0.022	-0.022	0.000	0.000	0.000	0.000
427	S	427	THR	0	0.018	-0.006	60.219	-0.001	-0.001	0.000	0.000	0.000	0.000
428	S	428	ALA	0	-0.027	0.000	61.642	0.000	0.000	0.000	0.000	0.000	0.000
429	S	429	ALA	0	0.002	-0.011	62.450	0.000	0.000	0.000	0.000	0.000	0.000
430	S	430	TRP	0	-0.005	0.010	59.927	0.000	0.000	0.000	0.000	0.000	0.000
431	S	431	THR	0	-0.004	-0.012	62.373	-0.001	-0.001	0.000	0.000	0.000	0.000
432	S	432	VAL	0	-0.037	-0.033	65.333	0.000	0.000	0.000	0.000	0.000	0.000
433	S	433	GLY	0	0.015	0.009	64.688	0.000	0.000	0.000	0.000	0.000	0.000
434	S	434	ARG	1	0.842	0.889	62.482	0.030	0.030	0.000	0.000	0.000	0.000
435	S	435	ILE	0	-0.015	-0.015	65.639	0.000	0.000	0.000	0.000	0.000	0.000
436	S	436	CYS	0	-0.115	-0.062	68.553	0.001	0.001	0.000	0.000	0.000	0.000
437	S	437	GLU	-1	-0.935	-0.944	63.184	-0.028	-0.028	0.000	0.000	0.000	0.000
438	S	438	LEU	0	0.030	0.026	65.249	0.000	0.000	0.000	0.000	0.000	0.000
439	S	439	LEU	0	-0.075	-0.034	69.339	0.000	0.000	0.000	0.000	0.000	0.000
440	S	440	PRO	0	0.075	0.043	72.142	0.001	0.001	0.000	0.000	0.000	0.000
441	S	441	GLU	-1	-0.822	-0.926	73.875	-0.019	-0.019	0.000	0.000	0.000	0.000
442	S	442	ALA	0	-0.032	-0.013	75.908	0.001	0.001	0.000	0.000	0.000	0.000
443	S	443	ALA	0	0.030	0.040	73.238	0.001	0.001	0.000	0.000	0.000	0.000
444	S	444	ILE	0	-0.028	-0.019	75.209	0.001	0.001	0.000	0.000	0.000	0.000
445	S	445	ASN	0	-0.011	-0.005	77.838	0.000	0.000	0.000	0.000	0.000	0.000
446	S	446	ASP	-1	-0.869	-0.944	80.714	-0.013	-0.013	0.000	0.000	0.000	0.000
447	S	447	VAL	0	-0.064	-0.036	82.765	0.000	0.000	0.000	0.000	0.000	0.000
448	S	448	TYR	0	-0.028	-0.049	76.946	0.000	0.000	0.000	0.000	0.000	0.000
449	S	449	LEU	0	0.010	0.032	77.311	0.000	0.000	0.000	0.000	0.000	0.000
450	S	450	ALA	0	-0.003	-0.007	77.638	0.000	0.000	0.000	0.000	0.000	0.000
451	S	451	PRO	0	-0.031	-0.020	77.613	0.000	0.000	0.000	0.000	0.000	0.000
452	S	452	LEU	0	0.060	0.032	71.901	0.000	0.000	0.000	0.000	0.000	0.000
453	S	453	LEU	0	0.055	0.018	73.229	0.000	0.000	0.000	0.000	0.000	0.000
454	S	454	GLN	0	-0.051	-0.022	73.149	0.000	0.000	0.000	0.000	0.000	0.000
455	S	455	CYS	0	-0.040	-0.005	71.424	0.000	0.000	0.000	0.000	0.000	0.000
456	S	456	LEU	0	0.044	0.022	68.288	0.000	0.000	0.000	0.000	0.000	0.000
457	S	457	ILE	0	-0.031	-0.023	68.283	0.000	0.000	0.000	0.000	0.000	0.000
458	S	458	GLU	-1	-0.885	-0.928	68.626	-0.009	-0.009	0.000	0.000	0.000	0.000
459	S	459	GLY	0	0.058	0.039	65.715	0.000	0.000	0.000	0.000	0.000	0.000
460	S	460	LEU	0	-0.048	-0.023	64.012	-0.001	-0.001	0.000	0.000	0.000	0.000
461	S	461	SER	0	-0.143	-0.076	63.390	0.001	0.001	0.000	0.000	0.000	0.000
462	S	462	ALA	0	-0.012	0.009	62.454	0.001	0.001	0.000	0.000	0.000	0.000
463	S	463	GLU	-1	-0.785	-0.897	57.510	-0.014	-0.014	0.000	0.000	0.000	0.000
464	S	464	PRO	0	-0.013	-0.017	54.505	-0.001	-0.001	0.000	0.000	0.000	0.000
465	S	465	ARG	1	0.869	0.930	51.795	0.024	0.024	0.000	0.000	0.000	0.000
466	S	466	VAL	0	0.051	0.053	56.824	-0.001	-0.001	0.000	0.000	0.000	0.000
467	S	467	ALA	0	0.014	0.010	59.973	0.000	0.000	0.000	0.000	0.000	0.000
468	S	468	SER	0	-0.049	-0.053	57.032	0.000	0.000	0.000	0.000	0.000	0.000
469	S	469	ASN	0	0.020	-0.004	58.361	-0.002	-0.002	0.000	0.000	0.000	0.000
470	S	470	VAL	0	-0.011	-0.003	61.473	0.000	0.000	0.000	0.000	0.000	0.000
471	S	471	CYS	0	-0.084	-0.025	60.399	0.000	0.000	0.000	0.000	0.000	0.000
472	S	472	TRP	0	0.042	0.028	57.062	0.000	0.000	0.000	0.000	0.000	0.000
473	S	473	ALA	0	0.023	0.013	63.677	0.000	0.000	0.000	0.000	0.000	0.000
474	S	474	PHE	0	-0.049	-0.044	67.177	0.000	0.000	0.000	0.000	0.000	0.000
475	S	475	SER	0	-0.074	-0.027	65.356	0.000	0.000	0.000	0.000	0.000	0.000
476	S	476	SER	0	0.056	0.016	67.009	0.000	0.000	0.000	0.000	0.000	0.000
477	S	477	LEU	0	-0.035	-0.025	68.550	0.000	0.000	0.000	0.000	0.000	0.000
478	S	478	ALA	0	-0.048	-0.011	70.280	0.001	0.001	0.000	0.000	0.000	0.000
479	S	479	GLU	-1	-0.838	-0.936	67.462	-0.020	-0.020	0.000	0.000	0.000	0.000
480	S	480	ALA	0	0.046	0.024	70.909	0.000	0.000	0.000	0.000	0.000	0.000
481	S	481	ALA	0	-0.067	-0.032	73.626	0.000	0.000	0.000	0.000	0.000	0.000
482	S	482	TYR	0	-0.099	-0.055	70.490	0.001	0.001	0.000	0.000	0.000	0.000
483	S	483	GLU	-1	-0.955	-0.962	72.696	-0.022	-0.022	0.000	0.000	0.000	0.000
484	S	484	ALA	0	-0.047	-0.017	75.463	0.000	0.000	0.000	0.000	0.000	0.000
485	S	485	ALA	0	-0.116	-0.048	77.302	0.001	0.001	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(S:1:MET)