FMO DATABASE

FMODB ID: YY392

Calculation Name: 4P1W-C-Xray372

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 4P1W

Chain ID: C

ChEMBL ID:

UniProt ID: C5DF24

Base Structure: X-ray

Registration Date: 2023-06-20

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	399
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-4822716.402647
FMO2-HF: Nuclear repulsion	4659059.349497
FMO2-HF: Total energy	-163657.05315
FMO2-MP2: Total energy	-164134.080343

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(C:2:ASN)

Summations of interaction energy for fragment #1(C:2:ASN)

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.
-20.61	-15.921	9.364	-5.791	-8.262	0.053

Interaction energy analysis for fragmet #1(C:2:ASN)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.060 / q_NPA : 0.025

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	C	4	ALA	0	0.002	0.006	1.998	-5.822	-4.745	8.322	-4.488	-4.910	0.040
4	C	5	VAL	0	-0.087	-0.055	2.469	-5.572	-2.456	1.043	-1.193	-2.967	0.013
5	C	6	ILE	0	0.059	0.040	4.250	-1.108	-0.787	-0.001	-0.079	-0.241	0.000
6	C	7	GLU	-1	-0.757	-0.878	5.856	0.297	0.297	0.000	0.000	0.000	0.000
7	C	8	LYS	1	0.829	0.922	5.427	-6.424	-6.424	0.000	0.000	0.000	0.000
8	C	9	LEU	0	0.046	0.035	6.172	-0.176	-0.176	0.000	0.000	0.000	0.000
9	C	10	LEU	0	0.002	0.005	9.565	-0.002	-0.002	0.000	0.000	0.000	0.000
10	C	11	GLU	-1	-0.822	-0.873	11.774	0.461	0.461	0.000	0.000	0.000	0.000
11	C	12	ASN	0	-0.025	-0.026	12.697	-0.024	-0.024	0.000	0.000	0.000	0.000
12	C	13	SER	0	0.035	0.002	13.752	-0.069	-0.069	0.000	0.000	0.000	0.000
13	C	14	ARG	1	0.775	0.862	13.371	-0.307	-0.307	0.000	0.000	0.000	0.000
14	C	15	LYS	1	0.866	0.948	17.259	-0.465	-0.465	0.000	0.000	0.000	0.000
15	C	16	PHE	0	0.000	-0.010	17.119	-0.012	-0.012	0.000	0.000	0.000	0.000
16	C	17	LEU	0	0.018	0.023	19.585	-0.015	-0.015	0.000	0.000	0.000	0.000
17	C	18	THR	0	-0.078	-0.052	21.476	-0.024	-0.024	0.000	0.000	0.000	0.000
18	C	19	GLY	0	0.001	-0.001	23.054	-0.008	-0.008	0.000	0.000	0.000	0.000
19	C	20	ALA	0	0.024	0.014	23.954	-0.010	-0.010	0.000	0.000	0.000	0.000
20	C	21	LYS	1	0.959	0.976	24.565	-0.041	-0.041	0.000	0.000	0.000	0.000
21	C	22	LEU	0	-0.001	0.010	27.456	-0.007	-0.007	0.000	0.000	0.000	0.000
22	C	23	ILE	0	0.035	0.015	28.465	-0.007	-0.007	0.000	0.000	0.000	0.000
23	C	24	CYS	0	-0.004	0.010	28.587	-0.011	-0.011	0.000	0.000	0.000	0.000
24	C	25	GLN	0	-0.054	-0.021	31.340	-0.001	-0.001	0.000	0.000	0.000	0.000
25	C	26	GLU	-1	-0.879	-0.925	33.350	0.083	0.083	0.000	0.000	0.000	0.000
26	C	27	SER	0	-0.012	-0.022	33.654	-0.004	-0.004	0.000	0.000	0.000	0.000
27	C	28	ASN	0	0.010	-0.016	33.434	-0.009	-0.009	0.000	0.000	0.000	0.000
28	C	29	ASP	-1	-0.917	-0.905	37.011	0.030	0.030	0.000	0.000	0.000	0.000
29	C	30	HIS	0	-0.014	-0.027	38.237	-0.009	-0.009	0.000	0.000	0.000	0.000
30	C	31	LEU	0	0.004	0.036	37.556	-0.002	-0.002	0.000	0.000	0.000	0.000
31	C	32	THR	0	-0.020	-0.026	40.022	-0.003	-0.003	0.000	0.000	0.000	0.000
32	C	33	THR	0	-0.022	-0.022	42.574	-0.005	-0.005	0.000	0.000	0.000	0.000
33	C	34	THR	0	-0.014	-0.027	44.430	-0.001	-0.001	0.000	0.000	0.000	0.000
34	C	35	LYS	1	0.799	0.882	41.492	0.002	0.002	0.000	0.000	0.000	0.000
35	C	36	LEU	0	-0.061	-0.017	46.608	-0.003	-0.003	0.000	0.000	0.000	0.000
36	C	37	ARG	1	0.802	0.853	48.692	-0.031	-0.031	0.000	0.000	0.000	0.000
37	C	38	ILE	0	0.032	0.024	48.020	0.000	0.000	0.000	0.000	0.000	0.000
38	C	39	ARG	1	0.917	0.959	49.374	0.000	0.000	0.000	0.000	0.000	0.000
39	C	40	GLU	-1	-0.796	-0.904	52.321	0.000	0.000	0.000	0.000	0.000	0.000
40	C	41	TRP	0	-0.002	0.003	54.524	0.000	0.000	0.000	0.000	0.000	0.000
41	C	42	GLN	0	0.005	-0.017	52.467	-0.001	-0.001	0.000	0.000	0.000	0.000
42	C	43	LYS	1	0.826	0.903	53.812	0.001	0.001	0.000	0.000	0.000	0.000
43	C	44	PHE	0	-0.054	0.000	58.369	-0.001	-0.001	0.000	0.000	0.000	0.000
44	C	45	GLN	0	0.030	0.008	60.327	-0.001	-0.001	0.000	0.000	0.000	0.000
45	C	46	SER	0	-0.009	0.009	60.847	-0.001	-0.001	0.000	0.000	0.000	0.000
46	C	47	LYS	1	0.909	0.923	60.267	-0.002	-0.002	0.000	0.000	0.000	0.000
47	C	48	LEU	0	-0.029	0.004	64.437	0.000	0.000	0.000	0.000	0.000	0.000
48	C	49	HIS	0	0.036	0.012	65.968	0.001	0.001	0.000	0.000	0.000	0.000
49	C	50	PHE	0	0.021	0.011	67.096	0.000	0.000	0.000	0.000	0.000	0.000
50	C	51	VAL	0	0.010	0.003	68.466	0.000	0.000	0.000	0.000	0.000	0.000
51	C	52	LEU	0	-0.006	-0.005	69.609	0.000	0.000	0.000	0.000	0.000	0.000
52	C	53	ASP	-1	-0.829	-0.914	71.797	0.000	0.000	0.000	0.000	0.000	0.000
53	C	54	CYS	0	-0.075	-0.039	72.086	-0.001	-0.001	0.000	0.000	0.000	0.000
54	C	55	ILE	0	-0.002	-0.002	73.601	0.000	0.000	0.000	0.000	0.000	0.000
55	C	56	GLN	0	-0.053	-0.008	75.563	0.000	0.000	0.000	0.000	0.000	0.000
56	C	57	GLN	0	0.032	0.013	77.105	0.000	0.000	0.000	0.000	0.000	0.000
57	C	58	GLN	0	0.043	0.033	78.931	-0.001	-0.001	0.000	0.000	0.000	0.000
58	C	59	THR	0	-0.044	-0.044	80.178	0.000	0.000	0.000	0.000	0.000	0.000
59	C	60	LYS	1	0.915	0.957	81.391	0.002	0.002	0.000	0.000	0.000	0.000
60	C	61	PHE	0	-0.008	0.001	83.288	0.000	0.000	0.000	0.000	0.000	0.000
61	C	62	LEU	0	0.011	0.008	84.888	0.000	0.000	0.000	0.000	0.000	0.000
62	C	63	SER	0	-0.038	-0.047	86.602	0.000	0.000	0.000	0.000	0.000	0.000
63	C	64	GLU	-1	-0.813	-0.888	86.626	0.001	0.001	0.000	0.000	0.000	0.000
64	C	65	ILE	0	-0.023	-0.007	86.900	0.000	0.000	0.000	0.000	0.000	0.000
65	C	66	LEU	0	0.002	0.004	87.792	0.000	0.000	0.000	0.000	0.000	0.000
66	C	67	LEU	0	-0.003	-0.001	90.550	0.000	0.000	0.000	0.000	0.000	0.000
67	C	68	ARG	1	0.841	0.900	90.176	-0.002	-0.002	0.000	0.000	0.000	0.000
68	C	69	GLU	-1	-0.791	-0.879	92.616	-0.002	-0.002	0.000	0.000	0.000	0.000
69	C	70	GLY	0	-0.023	0.004	93.341	0.000	0.000	0.000	0.000	0.000	0.000
70	C	71	ILE	0	-0.012	-0.005	94.586	0.000	0.000	0.000	0.000	0.000	0.000
71	C	72	GLY	0	-0.004	-0.005	96.718	0.000	0.000	0.000	0.000	0.000	0.000
72	C	73	ARG	1	0.802	0.859	97.343	0.002	0.002	0.000	0.000	0.000	0.000
73	C	74	ASN	0	-0.059	-0.055	96.133	0.000	0.000	0.000	0.000	0.000	0.000
74	C	75	LEU	0	-0.040	-0.008	98.025	0.000	0.000	0.000	0.000	0.000	0.000
75	C	76	ILE	0	-0.050	-0.028	100.394	0.000	0.000	0.000	0.000	0.000	0.000
76	C	77	GLU	-1	-0.942	-0.974	101.273	0.000	0.000	0.000	0.000	0.000	0.000
77	C	78	GLU	-1	-0.776	-0.852	102.388	-0.002	-0.002	0.000	0.000	0.000	0.000
78	C	79	GLU	-1	-0.782	-0.854	103.024	-0.002	-0.002	0.000	0.000	0.000	0.000
79	C	80	TRP	0	0.018	-0.005	100.313	0.000	0.000	0.000	0.000	0.000	0.000
80	C	81	SER	0	-0.017	-0.007	106.762	0.000	0.000	0.000	0.000	0.000	0.000
81	C	82	GLN	0	0.010	0.011	108.481	0.000	0.000	0.000	0.000	0.000	0.000
82	C	83	THR	0	-0.015	-0.017	107.879	0.000	0.000	0.000	0.000	0.000	0.000
83	C	84	VAL	0	-0.020	-0.013	108.423	0.000	0.000	0.000	0.000	0.000	0.000
84	C	85	LEU	0	-0.038	-0.031	109.370	0.000	0.000	0.000	0.000	0.000	0.000
85	C	86	VAL	0	-0.007	0.003	112.692	0.000	0.000	0.000	0.000	0.000	0.000
86	C	87	ARG	1	0.868	0.932	111.013	0.002	0.002	0.000	0.000	0.000	0.000
87	C	88	LEU	0	0.031	0.018	112.230	0.000	0.000	0.000	0.000	0.000	0.000
88	C	89	VAL	0	-0.005	-0.002	115.222	0.000	0.000	0.000	0.000	0.000	0.000
89	C	90	ASN	0	0.008	-0.011	117.448	0.000	0.000	0.000	0.000	0.000	0.000
90	C	91	ASP	-1	-0.835	-0.899	116.500	-0.002	-0.002	0.000	0.000	0.000	0.000
91	C	92	MET	0	-0.037	-0.018	116.075	0.000	0.000	0.000	0.000	0.000	0.000
92	C	93	LYS	1	0.932	0.971	120.481	0.000	0.000	0.000	0.000	0.000	0.000
93	C	94	PHE	0	-0.015	0.000	122.981	0.000	0.000	0.000	0.000	0.000	0.000
94	C	95	TRP	0	0.072	0.010	121.263	0.000	0.000	0.000	0.000	0.000	0.000
95	C	96	GLN	0	0.055	0.022	124.384	0.000	0.000	0.000	0.000	0.000	0.000
96	C	97	ASN	0	-0.036	-0.013	126.223	0.000	0.000	0.000	0.000	0.000	0.000
97	C	98	GLU	-1	-0.816	-0.883	128.285	-0.002	-0.002	0.000	0.000	0.000	0.000
98	C	99	ILE	0	0.005	0.012	127.351	0.000	0.000	0.000	0.000	0.000	0.000
99	C	100	THR	0	0.000	0.001	129.703	0.000	0.000	0.000	0.000	0.000	0.000
100	C	101	LYS	1	0.804	0.875	132.102	0.001	0.001	0.000	0.000	0.000	0.000
101	C	102	MET	0	-0.032	0.011	133.281	0.000	0.000	0.000	0.000	0.000	0.000
102	C	103	MET	0	0.004	0.010	131.001	0.000	0.000	0.000	0.000	0.000	0.000
103	C	104	ASN	0	0.026	0.003	135.576	0.000	0.000	0.000	0.000	0.000	0.000
104	C	105	LYS	1	0.774	0.862	138.047	0.002	0.002	0.000	0.000	0.000	0.000
105	C	106	LEU	0	0.031	0.000	136.688	0.000	0.000	0.000	0.000	0.000	0.000
106	C	107	ASP	-1	-0.756	-0.835	139.013	-0.001	-0.001	0.000	0.000	0.000	0.000
107	C	108	ASN	0	-0.124	-0.055	141.619	0.000	0.000	0.000	0.000	0.000	0.000
108	C	109	ILE	0	0.027	0.040	143.438	0.000	0.000	0.000	0.000	0.000	0.000
109	C	110	THR	0	-0.010	-0.013	145.522	0.000	0.000	0.000	0.000	0.000	0.000
110	C	111	ASN	0	-0.060	-0.047	147.974	0.000	0.000	0.000	0.000	0.000	0.000
111	C	112	GLU	-1	-0.804	-0.908	144.808	-0.002	-0.002	0.000	0.000	0.000	0.000
112	C	113	ILE	0	-0.084	-0.037	147.736	0.000	0.000	0.000	0.000	0.000	0.000
113	C	114	ASP	-1	-0.859	-0.921	150.288	-0.002	-0.002	0.000	0.000	0.000	0.000
114	C	115	GLN	0	-0.055	-0.029	152.140	0.000	0.000	0.000	0.000	0.000	0.000
115	C	116	GLN	0	-0.070	-0.050	150.446	0.000	0.000	0.000	0.000	0.000	0.000
116	C	117	HIS	0	-0.021	-0.001	151.572	0.000	0.000	0.000	0.000	0.000	0.000
117	C	118	ASN	0	-0.003	-0.021	145.499	0.000	0.000	0.000	0.000	0.000	0.000
118	C	119	SER	0	-0.007	-0.022	144.007	0.000	0.000	0.000	0.000	0.000	0.000
119	C	120	LYS	1	0.816	0.918	143.848	0.001	0.001	0.000	0.000	0.000	0.000
120	C	121	LEU	0	0.065	0.037	141.101	0.000	0.000	0.000	0.000	0.000	0.000
121	C	122	GLY	0	-0.025	-0.010	138.866	0.000	0.000	0.000	0.000	0.000	0.000
122	C	123	ASP	-1	-0.861	-0.902	138.995	-0.001	-0.001	0.000	0.000	0.000	0.000
123	C	124	PHE	0	-0.070	-0.025	139.495	0.000	0.000	0.000	0.000	0.000	0.000
124	C	125	ILE	0	-0.027	-0.007	134.498	0.000	0.000	0.000	0.000	0.000	0.000
125	C	126	SER	0	0.011	0.011	130.641	0.000	0.000	0.000	0.000	0.000	0.000
126	C	127	ARG	1	0.828	0.865	130.955	0.001	0.001	0.000	0.000	0.000	0.000
127	C	128	ASP	-1	-0.897	-0.933	128.398	-0.001	-0.001	0.000	0.000	0.000	0.000
128	C	129	SER	0	-0.019	-0.018	124.337	0.000	0.000	0.000	0.000	0.000	0.000
129	C	130	SER	0	0.006	-0.011	125.245	0.000	0.000	0.000	0.000	0.000	0.000
130	C	131	HIS	0	0.063	0.034	126.537	0.000	0.000	0.000	0.000	0.000	0.000
131	C	132	ILE	0	-0.018	0.001	119.856	0.000	0.000	0.000	0.000	0.000	0.000
132	C	133	LEU	0	-0.002	-0.008	119.939	0.000	0.000	0.000	0.000	0.000	0.000
133	C	134	ASP	-1	-0.816	-0.903	121.303	0.000	0.000	0.000	0.000	0.000	0.000
134	C	135	SER	0	-0.042	-0.005	119.598	0.000	0.000	0.000	0.000	0.000	0.000
135	C	136	LYS	1	0.804	0.884	114.602	0.001	0.001	0.000	0.000	0.000	0.000
136	C	137	LEU	0	-0.005	-0.019	117.291	0.000	0.000	0.000	0.000	0.000	0.000
137	C	138	ASN	0	-0.053	-0.038	119.186	0.000	0.000	0.000	0.000	0.000	0.000
138	C	139	GLU	-1	-0.818	-0.900	112.471	0.000	0.000	0.000	0.000	0.000	0.000
139	C	140	ILE	0	0.020	0.027	113.714	0.000	0.000	0.000	0.000	0.000	0.000
140	C	141	PRO	0	0.003	0.002	113.636	0.000	0.000	0.000	0.000	0.000	0.000
141	C	142	THR	0	-0.089	-0.050	111.987	0.000	0.000	0.000	0.000	0.000	0.000
142	C	143	ILE	0	0.066	0.036	108.782	0.000	0.000	0.000	0.000	0.000	0.000
143	C	144	ARG	1	0.912	0.963	108.869	-0.001	-0.001	0.000	0.000	0.000	0.000
144	C	145	LYS	1	0.960	0.967	109.143	-0.003	-0.003	0.000	0.000	0.000	0.000
145	C	146	GLN	0	-0.012	0.000	105.504	0.000	0.000	0.000	0.000	0.000	0.000
146	C	147	VAL	0	0.025	0.013	104.745	0.000	0.000	0.000	0.000	0.000	0.000
147	C	148	GLU	-1	-0.895	-0.965	104.649	0.003	0.003	0.000	0.000	0.000	0.000
148	C	149	ASN	0	-0.062	-0.023	102.749	0.000	0.000	0.000	0.000	0.000	0.000
149	C	150	ILE	0	0.047	0.035	98.098	0.000	0.000	0.000	0.000	0.000	0.000
150	C	151	THR	0	0.033	0.017	99.898	0.000	0.000	0.000	0.000	0.000	0.000
151	C	152	ARG	1	0.939	0.977	100.372	-0.004	-0.004	0.000	0.000	0.000	0.000
152	C	153	GLN	0	-0.025	-0.017	97.455	0.001	0.001	0.000	0.000	0.000	0.000
153	C	154	TYR	0	0.048	0.025	95.248	0.000	0.000	0.000	0.000	0.000	0.000
154	C	155	GLN	0	-0.008	-0.002	95.476	0.000	0.000	0.000	0.000	0.000	0.000
155	C	156	THR	0	-0.027	-0.020	94.944	0.000	0.000	0.000	0.000	0.000	0.000
156	C	157	MET	0	-0.043	-0.006	89.592	0.000	0.000	0.000	0.000	0.000	0.000
157	C	158	LEU	0	0.041	0.020	91.058	0.000	0.000	0.000	0.000	0.000	0.000
158	C	159	ALA	0	0.005	0.006	90.849	0.000	0.000	0.000	0.000	0.000	0.000
159	C	160	LYS	1	0.955	0.976	89.175	-0.006	-0.006	0.000	0.000	0.000	0.000
160	C	161	VAL	0	0.010	0.015	85.874	0.000	0.000	0.000	0.000	0.000	0.000
161	C	162	GLN	0	0.050	0.016	85.910	0.000	0.000	0.000	0.000	0.000	0.000
162	C	163	SER	0	-0.044	-0.033	86.358	0.000	0.000	0.000	0.000	0.000	0.000
163	C	164	GLN	0	-0.020	-0.020	82.042	0.001	0.001	0.000	0.000	0.000	0.000
164	C	165	LEU	0	0.023	0.024	81.397	0.000	0.000	0.000	0.000	0.000	0.000
165	C	166	VAL	0	-0.005	0.002	81.378	0.000	0.000	0.000	0.000	0.000	0.000
166	C	167	GLU	-1	-0.887	-0.934	80.455	0.011	0.011	0.000	0.000	0.000	0.000
167	C	168	SER	0	-0.005	-0.028	77.670	0.001	0.001	0.000	0.000	0.000	0.000
168	C	169	ARG	1	0.946	0.987	76.658	-0.004	-0.004	0.000	0.000	0.000	0.000
169	C	170	MET	0	0.007	0.012	76.704	0.000	0.000	0.000	0.000	0.000	0.000
170	C	171	LYS	1	0.897	0.948	72.967	-0.013	-0.013	0.000	0.000	0.000	0.000
171	C	172	GLY	0	0.029	0.008	72.505	0.001	0.001	0.000	0.000	0.000	0.000
172	C	173	LEU	0	-0.032	-0.022	71.759	0.000	0.000	0.000	0.000	0.000	0.000
173	C	174	ARG	1	0.825	0.919	70.194	-0.014	-0.014	0.000	0.000	0.000	0.000
174	C	175	ASP	-1	-0.885	-0.936	67.008	0.011	0.011	0.000	0.000	0.000	0.000
175	C	189	LEU	0	0.034	0.011	59.222	-0.001	-0.001	0.000	0.000	0.000	0.000
176	C	190	LYS	1	0.887	0.927	56.989	-0.017	-0.017	0.000	0.000	0.000	0.000
177	C	191	LEU	0	0.073	0.069	52.724	-0.002	-0.002	0.000	0.000	0.000	0.000
178	C	192	ASN	0	-0.019	-0.014	52.099	-0.001	-0.001	0.000	0.000	0.000	0.000
179	C	193	GLU	-1	-0.822	-0.916	51.189	0.004	0.004	0.000	0.000	0.000	0.000
180	C	194	GLU	-1	-0.938	-0.974	49.020	0.012	0.012	0.000	0.000	0.000	0.000
181	C	195	PHE	0	0.020	-0.010	47.587	0.001	0.001	0.000	0.000	0.000	0.000
182	C	196	THR	0	-0.045	-0.028	46.290	0.001	0.001	0.000	0.000	0.000	0.000
183	C	197	ASN	0	-0.007	0.006	45.022	-0.004	-0.004	0.000	0.000	0.000	0.000
184	C	198	GLU	-1	-0.752	-0.862	43.026	0.023	0.023	0.000	0.000	0.000	0.000
185	C	199	ALA	0	-0.007	-0.002	41.463	0.001	0.001	0.000	0.000	0.000	0.000
186	C	200	ASP	-1	-0.838	-0.931	40.371	-0.007	-0.007	0.000	0.000	0.000	0.000
187	C	201	GLN	0	-0.043	-0.023	38.990	-0.005	-0.005	0.000	0.000	0.000	0.000
188	C	202	LEU	0	0.045	0.020	36.885	0.000	0.000	0.000	0.000	0.000	0.000
189	C	203	GLU	-1	-0.868	-0.936	35.690	-0.001	-0.001	0.000	0.000	0.000	0.000
190	C	204	GLN	0	-0.100	-0.054	33.371	-0.003	-0.003	0.000	0.000	0.000	0.000
191	C	205	GLU	-1	-0.879	-0.932	32.331	0.017	0.017	0.000	0.000	0.000	0.000
192	C	206	LEU	0	-0.030	-0.012	30.732	0.002	0.002	0.000	0.000	0.000	0.000
193	C	207	ALA	0	-0.015	-0.004	29.925	0.000	0.000	0.000	0.000	0.000	0.000
194	C	208	ASP	-1	-0.831	-0.905	28.846	-0.052	-0.052	0.000	0.000	0.000	0.000
195	C	209	PHE	0	0.013	0.009	25.808	-0.010	-0.010	0.000	0.000	0.000	0.000
196	C	210	LEU	0	0.002	0.001	24.960	-0.004	-0.004	0.000	0.000	0.000	0.000
197	C	211	LYS	1	0.833	0.910	23.546	0.156	0.156	0.000	0.000	0.000	0.000
198	C	212	SER	0	0.009	-0.010	22.630	-0.027	-0.027	0.000	0.000	0.000	0.000
199	C	213	PHE	0	-0.017	-0.032	20.130	-0.015	-0.015	0.000	0.000	0.000	0.000
200	C	214	THR	0	-0.075	-0.049	19.772	-0.002	-0.002	0.000	0.000	0.000	0.000
201	C	215	ASP	-1	-0.789	-0.881	19.769	-0.225	-0.225	0.000	0.000	0.000	0.000
202	C	216	HIS	0	-0.064	-0.032	13.050	-0.093	-0.093	0.000	0.000	0.000	0.000
203	C	217	PHE	0	0.076	0.036	15.209	-0.067	-0.067	0.000	0.000	0.000	0.000
204	C	218	ASP	-1	-0.884	-0.931	15.733	-0.303	-0.303	0.000	0.000	0.000	0.000
205	C	219	LYS	1	0.842	0.917	13.416	0.180	0.180	0.000	0.000	0.000	0.000
206	C	220	CYS	0	-0.040	-0.019	11.118	-0.183	-0.183	0.000	0.000	0.000	0.000
207	C	221	SER	0	-0.032	-0.029	11.400	-0.182	-0.182	0.000	0.000	0.000	0.000
208	C	222	ALA	0	0.014	0.008	14.056	-0.065	-0.065	0.000	0.000	0.000	0.000
209	C	223	LEU	0	-0.040	-0.014	7.447	-0.171	-0.171	0.000	0.000	0.000	0.000
210	C	224	SER	0	-0.024	-0.043	10.043	-0.373	-0.373	0.000	0.000	0.000	0.000
211	C	225	SER	0	-0.093	-0.041	10.904	0.027	0.027	0.000	0.000	0.000	0.000
212	C	226	ARG	1	0.828	0.935	10.228	1.566	1.566	0.000	0.000	0.000	0.000
213	C	227	SER	0	0.036	0.022	13.098	0.071	0.071	0.000	0.000	0.000	0.000
214	C	228	VAL	0	-0.035	-0.034	14.788	-0.112	-0.112	0.000	0.000	0.000	0.000
215	C	229	SER	0	0.020	-0.019	15.853	0.031	0.031	0.000	0.000	0.000	0.000
216	C	230	PRO	0	-0.037	-0.016	12.060	-0.118	-0.118	0.000	0.000	0.000	0.000
217	C	231	GLU	-1	-0.893	-0.950	11.491	-1.000	-1.000	0.000	0.000	0.000	0.000
218	C	232	ASP	-1	-0.878	-0.915	12.819	-0.746	-0.746	0.000	0.000	0.000	0.000
219	C	233	ALA	0	-0.026	-0.011	8.707	0.007	0.007	0.000	0.000	0.000	0.000
220	C	234	GLN	0	-0.028	-0.015	7.739	-0.502	-0.502	0.000	0.000	0.000	0.000
221	C	235	ASN	0	0.027	0.005	9.260	0.079	0.079	0.000	0.000	0.000	0.000
222	C	236	LEU	0	-0.001	-0.017	11.185	0.104	0.104	0.000	0.000	0.000	0.000
223	C	237	PHE	0	-0.008	0.006	4.248	-0.324	-0.149	0.000	-0.031	-0.144	0.000
224	C	238	GLU	-1	-0.871	-0.922	8.114	-0.276	-0.276	0.000	0.000	0.000	0.000
225	C	239	ILE	0	-0.061	-0.030	10.366	0.168	0.168	0.000	0.000	0.000	0.000
226	C	240	VAL	0	0.019	0.007	9.742	0.128	0.128	0.000	0.000	0.000	0.000
227	C	241	GLU	-1	-0.859	-0.913	8.155	0.484	0.484	0.000	0.000	0.000	0.000
228	C	242	ARG	1	0.801	0.893	10.071	0.347	0.347	0.000	0.000	0.000	0.000
229	C	243	ASP	-1	-0.747	-0.854	13.815	-0.118	-0.118	0.000	0.000	0.000	0.000
230	C	244	ASP	-1	-0.893	-0.935	11.702	0.373	0.373	0.000	0.000	0.000	0.000
231	C	245	LYS	1	0.812	0.882	11.773	-0.173	-0.173	0.000	0.000	0.000	0.000
232	C	246	ASP	-1	-0.884	-0.939	15.240	0.110	0.110	0.000	0.000	0.000	0.000
233	C	247	LEU	0	-0.040	-0.014	15.760	-0.001	-0.001	0.000	0.000	0.000	0.000
234	C	248	ALA	0	-0.006	-0.006	18.636	-0.001	-0.001	0.000	0.000	0.000	0.000
235	C	249	ALA	0	0.003	0.005	20.601	-0.009	-0.009	0.000	0.000	0.000	0.000
236	C	250	ILE	0	0.012	0.001	21.267	-0.013	-0.013	0.000	0.000	0.000	0.000
237	C	251	ASN	0	-0.039	-0.013	22.528	0.003	0.003	0.000	0.000	0.000	0.000
238	C	252	SER	0	0.015	0.003	24.333	0.000	0.000	0.000	0.000	0.000	0.000
239	C	253	LEU	0	0.010	0.010	26.464	-0.009	-0.009	0.000	0.000	0.000	0.000
240	C	254	LEU	0	-0.033	0.000	26.125	-0.010	-0.010	0.000	0.000	0.000	0.000
241	C	255	GLN	0	-0.051	-0.039	26.595	-0.004	-0.004	0.000	0.000	0.000	0.000
242	C	256	ASP	-1	-0.893	-0.947	30.522	0.109	0.109	0.000	0.000	0.000	0.000
243	C	257	ALA	0	0.058	0.023	32.099	-0.005	-0.005	0.000	0.000	0.000	0.000
244	C	258	ALA	0	-0.015	-0.010	32.602	-0.007	-0.007	0.000	0.000	0.000	0.000
245	C	259	ILE	0	-0.040	-0.019	34.477	-0.002	-0.002	0.000	0.000	0.000	0.000
246	C	260	ASP	-1	-0.882	-0.927	36.696	0.055	0.055	0.000	0.000	0.000	0.000
247	C	261	VAL	0	0.011	0.011	36.334	-0.005	-0.005	0.000	0.000	0.000	0.000
248	C	262	ALA	0	0.036	0.025	38.634	-0.004	-0.004	0.000	0.000	0.000	0.000
249	C	263	SER	0	-0.127	-0.071	40.441	-0.003	-0.003	0.000	0.000	0.000	0.000
250	C	264	PHE	0	0.025	0.000	42.114	-0.003	-0.003	0.000	0.000	0.000	0.000
251	C	265	VAL	0	0.037	0.009	41.878	-0.003	-0.003	0.000	0.000	0.000	0.000
252	C	266	ARG	1	0.917	0.964	44.461	-0.059	-0.059	0.000	0.000	0.000	0.000
253	C	267	LYS	1	0.742	0.861	46.532	-0.029	-0.029	0.000	0.000	0.000	0.000
254	C	268	VAL	0	-0.009	0.003	47.124	-0.002	-0.002	0.000	0.000	0.000	0.000
255	C	269	ASN	0	-0.018	-0.009	46.879	-0.004	-0.004	0.000	0.000	0.000	0.000
256	C	270	MET	0	0.022	0.019	50.300	0.000	0.000	0.000	0.000	0.000	0.000
257	C	271	LEU	0	0.003	0.007	52.706	-0.002	-0.002	0.000	0.000	0.000	0.000
258	C	272	LEU	0	-0.020	-0.007	51.064	-0.002	-0.002	0.000	0.000	0.000	0.000
259	C	273	ASP	-1	-0.804	-0.883	52.893	0.035	0.035	0.000	0.000	0.000	0.000
260	C	274	GLU	-1	-0.906	-0.932	55.908	0.025	0.025	0.000	0.000	0.000	0.000
261	C	275	ARG	1	0.731	0.827	57.771	-0.023	-0.023	0.000	0.000	0.000	0.000
262	C	276	ASP	-1	-0.800	-0.891	56.325	0.020	0.020	0.000	0.000	0.000	0.000
263	C	277	ALA	0	0.004	0.006	59.679	-0.001	-0.001	0.000	0.000	0.000	0.000
264	C	278	ASP	-1	-0.810	-0.897	62.362	0.020	0.020	0.000	0.000	0.000	0.000
265	C	279	LYS	1	0.827	0.919	58.366	-0.018	-0.018	0.000	0.000	0.000	0.000
266	C	280	ALA	0	0.032	0.027	63.855	-0.001	-0.001	0.000	0.000	0.000	0.000
267	C	281	LYS	1	0.863	0.933	65.577	-0.023	-0.023	0.000	0.000	0.000	0.000
268	C	282	MET	0	-0.005	0.022	67.025	-0.001	-0.001	0.000	0.000	0.000	0.000
269	C	283	GLN	0	0.026	-0.008	64.128	-0.001	-0.001	0.000	0.000	0.000	0.000
270	C	284	ALA	0	0.022	0.016	68.779	-0.001	-0.001	0.000	0.000	0.000	0.000
271	C	285	THR	0	-0.034	-0.023	71.384	0.000	0.000	0.000	0.000	0.000	0.000
272	C	286	LEU	0	0.014	0.000	69.398	-0.001	-0.001	0.000	0.000	0.000	0.000
273	C	287	SER	0	0.028	0.027	72.570	-0.001	-0.001	0.000	0.000	0.000	0.000
274	C	288	LYS	1	0.815	0.913	74.302	-0.011	-0.011	0.000	0.000	0.000	0.000
275	C	289	LEU	0	-0.001	-0.006	75.744	-0.001	-0.001	0.000	0.000	0.000	0.000
276	C	290	LEU	0	0.037	-0.003	74.629	-0.001	-0.001	0.000	0.000	0.000	0.000
277	C	291	THR	0	-0.020	-0.016	77.792	-0.001	-0.001	0.000	0.000	0.000	0.000
278	C	292	GLU	-1	-0.844	-0.894	80.069	0.009	0.009	0.000	0.000	0.000	0.000
279	C	293	LEU	0	-0.043	-0.030	78.632	-0.001	-0.001	0.000	0.000	0.000	0.000
280	C	294	ARG	1	0.838	0.886	79.170	-0.004	-0.004	0.000	0.000	0.000	0.000
281	C	295	LYS	1	0.819	0.906	83.099	-0.009	-0.009	0.000	0.000	0.000	0.000
282	C	296	HIS	0	0.006	-0.010	85.095	0.000	0.000	0.000	0.000	0.000	0.000
283	C	297	GLU	-1	-0.792	-0.858	83.882	0.002	0.002	0.000	0.000	0.000	0.000
284	C	298	GLU	-1	-0.880	-0.934	87.900	0.003	0.003	0.000	0.000	0.000	0.000
285	C	299	TYR	0	-0.041	-0.024	90.555	0.000	0.000	0.000	0.000	0.000	0.000
286	C	300	ILE	0	0.005	-0.001	88.772	0.000	0.000	0.000	0.000	0.000	0.000
287	C	301	SER	0	0.050	0.029	91.357	-0.001	-0.001	0.000	0.000	0.000	0.000
288	C	302	VAL	0	-0.035	-0.006	93.254	0.000	0.000	0.000	0.000	0.000	0.000
289	C	303	PHE	0	-0.056	-0.048	94.494	0.000	0.000	0.000	0.000	0.000	0.000
290	C	304	GLU	-1	-0.936	-0.966	94.391	-0.001	-0.001	0.000	0.000	0.000	0.000
291	C	305	GLY	0	0.071	0.041	96.850	0.000	0.000	0.000	0.000	0.000	0.000
292	C	306	ILE	0	-0.036	-0.032	98.811	0.000	0.000	0.000	0.000	0.000	0.000
293	C	307	SER	0	-0.002	0.007	99.228	0.000	0.000	0.000	0.000	0.000	0.000
294	C	308	ALA	0	0.049	0.027	99.728	0.000	0.000	0.000	0.000	0.000	0.000
295	C	309	LEU	0	-0.032	-0.010	101.707	0.000	0.000	0.000	0.000	0.000	0.000
296	C	310	ILE	0	-0.007	-0.009	104.221	0.000	0.000	0.000	0.000	0.000	0.000
297	C	311	GLN	0	-0.005	0.002	103.082	0.000	0.000	0.000	0.000	0.000	0.000
298	C	312	LYS	1	0.887	0.956	105.552	0.000	0.000	0.000	0.000	0.000	0.000
299	C	313	PHE	0	-0.019	-0.019	107.313	0.000	0.000	0.000	0.000	0.000	0.000
300	C	314	LYS	1	0.823	0.881	106.175	0.002	0.002	0.000	0.000	0.000	0.000
301	C	315	ALA	0	0.007	-0.003	107.901	0.000	0.000	0.000	0.000	0.000	0.000
302	C	316	SER	0	-0.035	-0.015	110.029	0.000	0.000	0.000	0.000	0.000	0.000
303	C	317	CYS	0	-0.020	-0.018	112.900	0.000	0.000	0.000	0.000	0.000	0.000
304	C	318	LEU	0	-0.020	-0.008	110.945	0.000	0.000	0.000	0.000	0.000	0.000
305	C	319	GLU	-1	-0.733	-0.803	114.326	-0.003	-0.003	0.000	0.000	0.000	0.000
306	C	320	ASP	-1	-0.765	-0.867	116.072	-0.001	-0.001	0.000	0.000	0.000	0.000
307	C	321	ILE	0	-0.021	-0.003	117.024	0.000	0.000	0.000	0.000	0.000	0.000
308	C	322	ARG	1	0.807	0.872	117.063	0.003	0.003	0.000	0.000	0.000	0.000
309	C	323	GLN	0	-0.054	-0.048	118.142	0.000	0.000	0.000	0.000	0.000	0.000
310	C	324	THR	0	0.037	0.003	121.933	0.000	0.000	0.000	0.000	0.000	0.000
311	C	325	ARG	1	0.854	0.935	121.981	0.003	0.003	0.000	0.000	0.000	0.000
312	C	326	ASN	0	0.021	0.007	121.334	0.000	0.000	0.000	0.000	0.000	0.000
313	C	327	LEU	0	0.011	0.015	125.510	0.000	0.000	0.000	0.000	0.000	0.000
314	C	328	LEU	0	-0.006	0.002	127.300	0.000	0.000	0.000	0.000	0.000	0.000
315	C	329	ASP	-1	-0.903	-0.946	126.775	-0.003	-0.003	0.000	0.000	0.000	0.000
316	C	330	PHE	0	-0.041	-0.011	129.579	0.000	0.000	0.000	0.000	0.000	0.000
317	C	331	TYR	0	0.024	-0.017	131.214	0.000	0.000	0.000	0.000	0.000	0.000
318	C	332	ALA	0	0.031	0.020	133.324	0.000	0.000	0.000	0.000	0.000	0.000
319	C	333	ASN	0	-0.061	-0.042	131.844	0.000	0.000	0.000	0.000	0.000	0.000
320	C	334	PHE	0	0.030	0.018	135.224	0.000	0.000	0.000	0.000	0.000	0.000
321	C	335	GLU	-1	-0.734	-0.843	137.265	-0.002	-0.002	0.000	0.000	0.000	0.000
322	C	336	ARG	1	0.876	0.932	134.780	0.004	0.004	0.000	0.000	0.000	0.000
323	C	337	SER	0	-0.023	-0.021	138.624	0.000	0.000	0.000	0.000	0.000	0.000
324	C	338	TYR	0	0.016	0.004	140.658	0.000	0.000	0.000	0.000	0.000	0.000
325	C	339	HIS	0	-0.003	-0.013	142.957	0.000	0.000	0.000	0.000	0.000	0.000
326	C	340	ASN	0	-0.027	-0.003	142.239	0.000	0.000	0.000	0.000	0.000	0.000
327	C	341	LEU	0	0.025	0.027	144.612	0.000	0.000	0.000	0.000	0.000	0.000
328	C	342	LEU	0	0.039	0.018	146.339	0.000	0.000	0.000	0.000	0.000	0.000
329	C	343	LYS	1	0.840	0.905	145.760	0.003	0.003	0.000	0.000	0.000	0.000
330	C	344	GLU	-1	-0.735	-0.837	146.703	-0.003	-0.003	0.000	0.000	0.000	0.000
331	C	345	VAL	0	0.008	0.007	149.565	0.000	0.000	0.000	0.000	0.000	0.000
332	C	346	LYS	1	0.870	0.938	151.965	0.003	0.003	0.000	0.000	0.000	0.000
333	C	347	ARG	1	0.910	0.938	150.196	0.003	0.003	0.000	0.000	0.000	0.000
334	C	348	ARG	1	0.835	0.902	147.160	0.003	0.003	0.000	0.000	0.000	0.000
335	C	349	LYS	1	0.926	0.974	154.542	0.002	0.002	0.000	0.000	0.000	0.000
336	C	350	GLU	-1	-0.837	-0.920	156.295	-0.003	-0.003	0.000	0.000	0.000	0.000
337	C	351	THR	0	-0.042	-0.034	155.756	0.000	0.000	0.000	0.000	0.000	0.000
338	C	352	ALA	0	0.024	0.014	158.141	0.000	0.000	0.000	0.000	0.000	0.000
339	C	353	ALA	0	0.021	0.024	160.254	0.000	0.000	0.000	0.000	0.000	0.000
340	C	354	LYS	1	0.881	0.935	160.831	0.003	0.003	0.000	0.000	0.000	0.000
341	C	355	LEU	0	0.039	0.002	159.094	0.000	0.000	0.000	0.000	0.000	0.000
342	C	356	SER	0	-0.010	-0.011	162.964	0.000	0.000	0.000	0.000	0.000	0.000
343	C	357	GLN	0	0.032	0.021	165.876	0.000	0.000	0.000	0.000	0.000	0.000
344	C	358	ILE	0	-0.032	-0.008	163.445	0.000	0.000	0.000	0.000	0.000	0.000
345	C	359	LEU	0	0.006	0.009	164.403	0.000	0.000	0.000	0.000	0.000	0.000
346	C	360	LYS	1	0.874	0.919	168.391	0.002	0.002	0.000	0.000	0.000	0.000
347	C	361	SER	0	-0.020	0.008	170.735	0.000	0.000	0.000	0.000	0.000	0.000
348	C	362	CYS	0	-0.021	-0.019	170.035	0.000	0.000	0.000	0.000	0.000	0.000
349	C	363	GLU	-1	-0.828	-0.886	172.112	-0.002	-0.002	0.000	0.000	0.000	0.000
350	C	364	THR	0	0.009	-0.007	174.091	0.000	0.000	0.000	0.000	0.000	0.000
351	C	365	GLN	0	-0.020	-0.006	174.207	0.000	0.000	0.000	0.000	0.000	0.000
352	C	366	LEU	0	-0.009	-0.003	173.206	0.000	0.000	0.000	0.000	0.000	0.000
353	C	367	GLU	-1	-0.829	-0.907	177.506	-0.002	-0.002	0.000	0.000	0.000	0.000
354	C	368	GLN	0	-0.033	-0.005	180.057	0.000	0.000	0.000	0.000	0.000	0.000
355	C	369	ILE	0	-0.017	-0.015	177.926	0.000	0.000	0.000	0.000	0.000	0.000
356	C	370	ASN	0	0.029	0.007	181.106	0.000	0.000	0.000	0.000	0.000	0.000
357	C	371	THR	0	-0.038	-0.028	182.956	0.000	0.000	0.000	0.000	0.000	0.000
358	C	372	ALA	0	-0.033	-0.015	185.385	0.000	0.000	0.000	0.000	0.000	0.000
359	C	373	ASP	-1	-0.814	-0.902	184.474	-0.003	-0.003	0.000	0.000	0.000	0.000
360	C	374	LEU	0	0.012	0.008	185.682	0.000	0.000	0.000	0.000	0.000	0.000
361	C	375	ARG	1	0.804	0.910	188.568	0.002	0.002	0.000	0.000	0.000	0.000
362	C	376	GLU	-1	-0.848	-0.942	189.772	-0.003	-0.003	0.000	0.000	0.000	0.000
363	C	377	ARG	1	0.788	0.879	185.145	0.003	0.003	0.000	0.000	0.000	0.000
364	C	378	GLN	0	0.014	0.012	191.465	0.000	0.000	0.000	0.000	0.000	0.000
365	C	379	MET	0	-0.070	-0.023	194.273	0.000	0.000	0.000	0.000	0.000	0.000
366	C	380	PHE	0	0.028	0.019	193.321	0.000	0.000	0.000	0.000	0.000	0.000
367	C	381	LEU	0	-0.015	-0.014	194.293	0.000	0.000	0.000	0.000	0.000	0.000
368	C	382	LEU	0	-0.063	-0.027	196.745	0.000	0.000	0.000	0.000	0.000	0.000
369	C	383	GLU	-1	-0.946	-0.971	199.398	-0.003	-0.003	0.000	0.000	0.000	0.000
370	C	384	ASN	0	-0.065	-0.039	198.433	0.000	0.000	0.000	0.000	0.000	0.000
371	C	385	GLY	0	0.073	0.029	198.535	0.000	0.000	0.000	0.000	0.000	0.000
372	C	386	ASN	0	-0.062	-0.041	199.547	0.000	0.000	0.000	0.000	0.000	0.000
373	C	387	TYR	0	-0.050	-0.007	202.021	0.000	0.000	0.000	0.000	0.000	0.000
374	C	388	LEU	0	-0.028	-0.006	196.369	0.000	0.000	0.000	0.000	0.000	0.000
375	C	389	PRO	0	-0.011	0.012	197.925	0.000	0.000	0.000	0.000	0.000	0.000
376	C	390	GLU	-1	-0.768	-0.902	192.142	-0.002	-0.002	0.000	0.000	0.000	0.000
377	C	391	THR	0	-0.021	-0.031	193.191	0.000	0.000	0.000	0.000	0.000	0.000
378	C	392	ILE	0	-0.046	-0.012	193.214	0.000	0.000	0.000	0.000	0.000	0.000
379	C	393	TRP	0	-0.033	-0.027	185.988	0.000	0.000	0.000	0.000	0.000	0.000
380	C	394	PRO	0	-0.022	-0.008	188.235	0.000	0.000	0.000	0.000	0.000	0.000
381	C	395	ASP	-1	-0.930	-0.966	187.032	-0.002	-0.002	0.000	0.000	0.000	0.000
382	C	396	GLU	-1	-0.848	-0.927	184.515	-0.003	-0.003	0.000	0.000	0.000	0.000
383	C	397	ILE	0	-0.071	-0.011	188.311	0.000	0.000	0.000	0.000	0.000	0.000
384	C	398	GLY	0	0.002	-0.018	191.892	0.000	0.000	0.000	0.000	0.000	0.000
385	C	399	SER	0	-0.078	-0.021	186.085	0.000	0.000	0.000	0.000	0.000	0.000
386	C	400	LEU	0	-0.043	-0.028	188.314	0.000	0.000	0.000	0.000	0.000	0.000
387	C	401	SER	0	-0.010	0.011	183.445	0.000	0.000	0.000	0.000	0.000	0.000
388	C	402	PRO	0	0.014	0.003	180.429	0.000	0.000	0.000	0.000	0.000	0.000
389	C	403	LEU	0	0.027	0.013	179.727	0.000	0.000	0.000	0.000	0.000	0.000
390	C	404	TYR	0	-0.054	-0.026	174.892	0.000	0.000	0.000	0.000	0.000	0.000
391	C	405	THR	0	0.027	0.011	173.008	0.000	0.000	0.000	0.000	0.000	0.000
392	C	406	LEU	0	-0.027	-0.016	169.479	0.000	0.000	0.000	0.000	0.000	0.000
393	C	407	ASN	0	0.003	0.000	168.757	0.000	0.000	0.000	0.000	0.000	0.000
394	C	408	TYR	0	-0.045	-0.042	166.169	0.000	0.000	0.000	0.000	0.000	0.000
395	C	409	GLU	-1	-0.761	-0.881	162.443	-0.002	-0.002	0.000	0.000	0.000	0.000
396	C	410	VAL	0	-0.049	-0.012	161.229	0.000	0.000	0.000	0.000	0.000	0.000
397	C	411	ARG	1	0.949	0.982	152.966	0.003	0.003	0.000	0.000	0.000	0.000
398	C	412	LYS	1	0.858	0.914	159.642	0.002	0.002	0.000	0.000	0.000	0.000
399	C	413	VAL	0	0.017	0.015	153.927	0.000	0.000	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(C:2:ASN)