FMO DATABASE

FMODB ID: ZVV6N

Calculation Name: 4C5Z-A-Xray372

Preferred Name:
Warning: Undefined array key "pref_name" in /home/FMODBwui_src/fmodbwui/detail.php on line 446

Target Type:
Warning: Undefined array key "target_type" in /home/FMODBwui_src/fmodbwui/detail.php on line 447

Ligand Name:
Warning: Undefined variable $Ligand in /home/FMODBwui_src/fmodbwui/detail.php on line 448

Warning: Trying to access array offset on value of type null in /home/FMODBwui_src/fmodbwui/detail.php on line 448

Warning: Trying to access array offset on value of type null in /home/FMODBwui_src/fmodbwui/detail.php on line 448

ligand 3-letter code:
Warning: Undefined variable $Ligand in /home/FMODBwui_src/fmodbwui/detail.php on line 449

Warning: Trying to access array offset on value of type null in /home/FMODBwui_src/fmodbwui/detail.php on line 449

Warning: Trying to access array offset on value of type null in /home/FMODBwui_src/fmodbwui/detail.php on line 449

PDB ID: 4C5Z

Chain ID: A

ChEMBL ID:
Warning: Undefined array key "chembl_id" in /home/FMODBwui_src/fmodbwui/detail.php on line 452

Warning: Undefined array key "chembl_id" in /home/FMODBwui_src/fmodbwui/detail.php on line 452

UniProt ID: G3XP38

Base Structure: X-ray

Registration Date: 2023-09-21

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	OptHSide
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	436
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-7456471.164164
FMO2-HF: Nuclear repulsion	7293789.193836
FMO2-HF: Total energy	-162681.970328
FMO2-MP2: Total energy	-163157.680035

3D Structure

Snapshot

Ligand structure

Ligand Interaction

Ligand binding energy

IFIE [kcal/mol]	PIEDA [kcal/mol]				Charge transfer value [e]
IFIE SUMIFIE SUM at MP2 level.	ESElectro static interaction energy.	EXExchange-repulsion energy.	CT+mixCharge transfer and mixing terms energy.	DI(MP2)Dispersion energy.	q(I=>J)Charge transfer value from I to J fragments.
N/A	N/A	N/A	N/A	N/A	N/A

Interactive mode: IFIE and PIEDA for fragment #1(A:45:ASP)

Summations of interaction energy for fragment #1(A:45:ASP)

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.
33.213	34.959	-0.009	-0.864	-0.874	0.003

Interaction energy analysis for fragmet #1(A:45:ASP)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : -1 / q_Mulliken : -0.985 / q_NPA : -1.009

Distance from base fragment(s) [Å]

Dist

Interaction energy by IFIE and PIEDA
[kcal/mol]

| Total | > | ES | > | EX | >
| CT+mix | > | DI(MP2) | >

Fragment charge [e]

FCHARGE q_Mulliken
q_NPA q(I=>J)

Residue

Res # RES

Sort

Graph Options

X Axis Label
Y Axis Max Y Axis Min
Display ES EX CT+mix DI(MP2)

frag_NumFragment number.	ChainChain species.	Res #Residue number.	RES3-letter code of amino acid residue, ligand and solvent molecule.	FCHARGEFormal charge [e].	q_MullikenFragment charge evaluated by Mulliken charge [e].	q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e].	DISTDistance from Ligand [Å].	TotalIFIE at MP2 level [kcal/mol].	ESElectro static interaction energy by PIEDA [kcal/mol].	EXExchange-repulsion energy by PIEDA [kcal/mol].	CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol].	DI(MP2)Dispersion energy by PIEDA [kcal/mol].	q(I=>J)Charge transfer value from I to J fragmens [e].
3	A	47	ALA	0	0.015	0.022	3.767	3.817	5.563	-0.009	-0.864	-0.874	0.003
4	A	48	LYS	1	0.871	0.928	6.536	-29.190	-29.190	0.000	0.000	0.000	0.000
5	A	49	VAL	0	-0.028	-0.026	7.539	-2.995	-2.995	0.000	0.000	0.000	0.000
6	A	50	THR	0	-0.051	-0.014	10.905	-0.447	-0.447	0.000	0.000	0.000	0.000
7	A	51	ILE	0	-0.018	-0.005	14.045	-0.595	-0.595	0.000	0.000	0.000	0.000
8	A	52	ILE	0	0.004	0.000	17.489	-0.209	-0.209	0.000	0.000	0.000	0.000
9	A	53	TYR	0	-0.006	-0.009	20.590	-0.128	-0.128	0.000	0.000	0.000	0.000
10	A	54	ALA	0	0.009	-0.006	23.917	-0.024	-0.024	0.000	0.000	0.000	0.000
11	A	55	GLY	0	0.002	0.006	26.935	-0.203	-0.203	0.000	0.000	0.000	0.000
12	A	56	LEU	0	-0.039	-0.024	30.329	-0.354	-0.354	0.000	0.000	0.000	0.000
13	A	57	LEU	0	-0.003	0.006	25.015	0.296	0.296	0.000	0.000	0.000	0.000
14	A	58	ILE	0	0.055	0.012	29.208	-0.287	-0.287	0.000	0.000	0.000	0.000
15	A	59	PRO	0	0.029	0.018	27.989	0.358	0.358	0.000	0.000	0.000	0.000
16	A	60	GLY	0	0.071	0.022	28.303	0.376	0.376	0.000	0.000	0.000	0.000
17	A	61	ASP	-1	-0.858	-0.928	30.812	8.786	8.786	0.000	0.000	0.000	0.000
18	A	62	GLY	0	0.002	0.005	32.301	0.191	0.191	0.000	0.000	0.000	0.000
19	A	63	GLU	-1	-0.952	-0.988	34.233	8.291	8.291	0.000	0.000	0.000	0.000
20	A	64	PRO	0	-0.021	-0.011	32.692	0.307	0.307	0.000	0.000	0.000	0.000
21	A	65	LEU	0	-0.016	0.012	28.573	-0.180	-0.180	0.000	0.000	0.000	0.000
22	A	66	ARG	1	0.957	0.974	31.665	-8.631	-8.631	0.000	0.000	0.000	0.000
23	A	67	ASN	0	-0.066	-0.026	30.034	0.111	0.111	0.000	0.000	0.000	0.000
24	A	68	ALA	0	0.021	0.015	27.396	0.028	0.028	0.000	0.000	0.000	0.000
25	A	69	ALA	0	0.011	-0.003	22.290	0.154	0.154	0.000	0.000	0.000	0.000
26	A	70	LEU	0	0.002	0.013	19.073	-0.194	-0.194	0.000	0.000	0.000	0.000
27	A	71	VAL	0	-0.061	-0.034	15.206	0.373	0.373	0.000	0.000	0.000	0.000
28	A	72	ILE	0	0.026	0.019	13.132	-0.403	-0.403	0.000	0.000	0.000	0.000
29	A	73	SER	0	-0.010	-0.012	10.653	0.615	0.615	0.000	0.000	0.000	0.000
30	A	74	ASP	-1	-0.824	-0.918	7.189	35.385	35.385	0.000	0.000	0.000	0.000
31	A	75	LYS	1	0.965	0.982	9.931	-27.179	-27.179	0.000	0.000	0.000	0.000
32	A	76	ILE	0	-0.028	0.004	12.890	-1.596	-1.596	0.000	0.000	0.000	0.000
33	A	77	ILE	0	0.019	0.014	15.095	0.858	0.858	0.000	0.000	0.000	0.000
34	A	78	ALA	0	-0.023	-0.025	15.329	-0.307	-0.307	0.000	0.000	0.000	0.000
35	A	79	PHE	0	0.011	-0.010	17.481	-0.404	-0.404	0.000	0.000	0.000	0.000
36	A	80	VAL	0	0.028	0.016	20.543	0.239	0.239	0.000	0.000	0.000	0.000
37	A	81	GLY	0	0.038	0.028	23.739	-0.290	-0.290	0.000	0.000	0.000	0.000
38	A	82	SER	0	-0.019	-0.040	26.406	0.105	0.105	0.000	0.000	0.000	0.000
39	A	83	GLU	-1	-0.791	-0.870	25.174	11.813	11.813	0.000	0.000	0.000	0.000
40	A	84	ALA	0	-0.034	-0.026	25.348	0.346	0.346	0.000	0.000	0.000	0.000
41	A	85	ASP	-1	-0.884	-0.901	26.354	10.679	10.679	0.000	0.000	0.000	0.000
42	A	86	ILE	0	-0.021	0.006	19.994	0.464	0.464	0.000	0.000	0.000	0.000
43	A	87	PRO	0	-0.030	-0.008	19.107	0.013	0.013	0.000	0.000	0.000	0.000
44	A	88	LYS	1	0.997	0.971	19.118	-11.561	-11.561	0.000	0.000	0.000	0.000
45	A	89	LYS	1	0.895	0.959	14.815	-17.294	-17.294	0.000	0.000	0.000	0.000
46	A	90	TYR	0	0.119	0.047	14.070	1.090	1.090	0.000	0.000	0.000	0.000
47	A	91	LEU	0	-0.008	0.000	15.003	0.528	0.528	0.000	0.000	0.000	0.000
48	A	92	ARG	1	0.882	0.942	14.322	-15.969	-15.969	0.000	0.000	0.000	0.000
49	A	93	SER	0	0.045	0.016	10.078	-0.334	-0.334	0.000	0.000	0.000	0.000
50	A	94	THR	0	-0.080	-0.021	10.338	1.343	1.343	0.000	0.000	0.000	0.000
51	A	95	GLN	0	0.083	0.042	6.887	-1.882	-1.882	0.000	0.000	0.000	0.000
52	A	96	SER	0	-0.055	-0.014	11.362	-1.181	-1.181	0.000	0.000	0.000	0.000
53	A	97	THR	0	-0.002	-0.002	14.428	-0.249	-0.249	0.000	0.000	0.000	0.000
54	A	98	HIS	0	0.054	0.024	16.712	-1.103	-1.103	0.000	0.000	0.000	0.000
55	A	99	ARG	1	0.800	0.861	20.847	-11.671	-11.671	0.000	0.000	0.000	0.000
56	A	100	VAL	0	-0.018	-0.005	24.190	-0.165	-0.165	0.000	0.000	0.000	0.000
57	A	101	PRO	0	0.031	0.015	26.746	-0.019	-0.019	0.000	0.000	0.000	0.000
58	A	102	VAL	0	0.004	0.004	29.306	-0.176	-0.176	0.000	0.000	0.000	0.000
59	A	103	LEU	0	-0.021	-0.005	22.665	0.361	0.361	0.000	0.000	0.000	0.000
60	A	104	MET	0	0.015	0.009	26.310	-0.502	-0.502	0.000	0.000	0.000	0.000
61	A	105	PRO	0	-0.001	0.005	24.917	0.511	0.511	0.000	0.000	0.000	0.000
62	A	106	GLY	0	0.007	0.009	24.314	-0.290	-0.290	0.000	0.000	0.000	0.000
63	A	107	LEU	0	-0.015	-0.005	25.442	-0.208	-0.208	0.000	0.000	0.000	0.000
64	A	108	TRP	0	0.007	-0.019	26.154	0.189	0.189	0.000	0.000	0.000	0.000
65	A	109	ASP	-1	-0.794	-0.881	30.108	8.546	8.546	0.000	0.000	0.000	0.000
66	A	110	CYS	0	-0.045	-0.041	32.491	0.224	0.224	0.000	0.000	0.000	0.000
67	A	111	HIS	0	-0.041	-0.037	34.296	-0.157	-0.157	0.000	0.000	0.000	0.000
68	A	112	MET	0	-0.012	0.041	32.871	-0.112	-0.112	0.000	0.000	0.000	0.000
69	A	113	HIS	0	0.008	-0.006	35.827	0.026	0.026	0.000	0.000	0.000	0.000
70	A	114	PHE	0	0.001	-0.015	29.304	0.097	0.097	0.000	0.000	0.000	0.000
71	A	115	GLY	0	0.096	0.040	35.065	0.041	0.041	0.000	0.000	0.000	0.000
72	A	116	GLY	0	-0.036	-0.019	37.036	-0.007	-0.007	0.000	0.000	0.000	0.000
73	A	117	ASP	-1	-0.783	-0.867	37.816	7.684	7.684	0.000	0.000	0.000	0.000
74	A	118	ASP	-1	-0.845	-0.933	41.562	7.545	7.545	0.000	0.000	0.000	0.000
75	A	119	ASP	-1	-0.957	-0.984	43.676	6.787	6.787	0.000	0.000	0.000	0.000
76	A	120	TYR	0	-0.065	-0.028	45.977	-0.139	-0.139	0.000	0.000	0.000	0.000
77	A	121	TYR	0	-0.011	-0.005	48.549	-0.122	-0.122	0.000	0.000	0.000	0.000
78	A	122	ASN	0	0.008	-0.003	48.473	0.052	0.052	0.000	0.000	0.000	0.000
79	A	123	ASP	-1	-0.802	-0.878	49.220	6.312	6.312	0.000	0.000	0.000	0.000
80	A	124	TYR	0	0.040	0.009	45.513	0.167	0.167	0.000	0.000	0.000	0.000
81	A	125	THR	0	-0.072	-0.062	47.102	0.102	0.102	0.000	0.000	0.000	0.000
82	A	126	SER	0	-0.030	-0.026	44.637	-0.012	-0.012	0.000	0.000	0.000	0.000
83	A	127	GLY	0	0.033	0.037	42.949	0.138	0.138	0.000	0.000	0.000	0.000
84	A	128	LEU	0	-0.087	-0.037	43.211	0.133	0.133	0.000	0.000	0.000	0.000
85	A	129	ALA	0	-0.031	-0.013	45.500	0.033	0.033	0.000	0.000	0.000	0.000
86	A	130	THR	0	-0.051	-0.020	40.801	0.006	0.006	0.000	0.000	0.000	0.000
87	A	131	HIS	0	0.018	0.014	38.988	0.217	0.217	0.000	0.000	0.000	0.000
88	A	132	PRO	0	0.050	0.005	37.114	0.138	0.138	0.000	0.000	0.000	0.000
89	A	133	ALA	0	-0.010	-0.003	35.473	0.266	0.266	0.000	0.000	0.000	0.000
90	A	134	SER	0	0.007	0.001	35.703	0.237	0.237	0.000	0.000	0.000	0.000
91	A	135	SER	0	0.001	0.003	36.762	0.101	0.101	0.000	0.000	0.000	0.000
92	A	136	GLY	0	-0.011	-0.010	32.936	0.181	0.181	0.000	0.000	0.000	0.000
93	A	137	ALA	0	-0.015	-0.007	31.953	0.308	0.308	0.000	0.000	0.000	0.000
94	A	138	ARG	1	0.787	0.875	32.600	-7.695	-7.695	0.000	0.000	0.000	0.000
95	A	139	LEU	0	-0.008	-0.006	31.732	0.130	0.130	0.000	0.000	0.000	0.000
96	A	140	ALA	0	0.011	0.027	28.408	0.322	0.322	0.000	0.000	0.000	0.000
97	A	141	ARG	1	0.816	0.892	28.849	-9.191	-9.191	0.000	0.000	0.000	0.000
98	A	142	GLY	0	0.052	0.026	30.694	0.104	0.104	0.000	0.000	0.000	0.000
99	A	143	CYS	0	-0.021	-0.023	26.667	0.094	0.094	0.000	0.000	0.000	0.000
100	A	144	TRP	0	-0.045	-0.029	24.957	0.182	0.182	0.000	0.000	0.000	0.000
101	A	145	GLU	-1	-0.772	-0.885	27.151	9.948	9.948	0.000	0.000	0.000	0.000
102	A	146	ALA	0	-0.017	0.004	28.273	-0.036	-0.036	0.000	0.000	0.000	0.000
103	A	147	LEU	0	-0.017	-0.005	21.183	0.083	0.083	0.000	0.000	0.000	0.000
104	A	148	GLN	0	0.007	0.002	24.637	0.003	0.003	0.000	0.000	0.000	0.000
105	A	149	ASN	0	-0.009	-0.015	27.373	-0.327	-0.327	0.000	0.000	0.000	0.000
106	A	150	GLY	0	0.012	0.016	26.154	-0.177	-0.177	0.000	0.000	0.000	0.000
107	A	151	TYR	0	0.020	0.008	27.212	0.013	0.013	0.000	0.000	0.000	0.000
108	A	152	THR	0	-0.029	-0.034	22.658	0.053	0.053	0.000	0.000	0.000	0.000
109	A	153	SER	0	-0.027	-0.013	23.916	0.581	0.581	0.000	0.000	0.000	0.000
110	A	154	TYR	0	0.031	0.022	26.535	-0.317	-0.317	0.000	0.000	0.000	0.000
111	A	155	ARG	1	0.768	0.864	29.135	-8.564	-8.564	0.000	0.000	0.000	0.000
112	A	156	ASP	-1	-0.777	-0.873	31.782	9.052	9.052	0.000	0.000	0.000	0.000
113	A	157	LEU	0	-0.069	-0.045	33.589	0.007	0.007	0.000	0.000	0.000	0.000
114	A	158	ALA	0	0.053	0.017	36.684	-0.254	-0.254	0.000	0.000	0.000	0.000
115	A	159	GLY	0	-0.002	0.016	36.665	-0.058	-0.058	0.000	0.000	0.000	0.000
116	A	160	TYR	0	0.005	-0.010	33.540	0.095	0.095	0.000	0.000	0.000	0.000
117	A	161	GLY	0	0.037	0.024	30.617	0.337	0.337	0.000	0.000	0.000	0.000
118	A	162	CYS	0	-0.051	-0.014	28.900	0.460	0.460	0.000	0.000	0.000	0.000
119	A	163	GLU	-1	-0.834	-0.909	28.234	10.175	10.175	0.000	0.000	0.000	0.000
120	A	164	VAL	0	0.035	0.013	27.671	0.283	0.283	0.000	0.000	0.000	0.000
121	A	165	ALA	0	0.019	0.009	24.806	0.468	0.468	0.000	0.000	0.000	0.000
122	A	166	LYS	1	0.812	0.908	23.430	-10.592	-10.592	0.000	0.000	0.000	0.000
123	A	167	ALA	0	0.054	0.042	22.826	0.488	0.488	0.000	0.000	0.000	0.000
124	A	168	ILE	0	-0.040	-0.013	20.938	0.380	0.380	0.000	0.000	0.000	0.000
125	A	169	ASN	0	-0.058	-0.045	19.039	1.020	1.020	0.000	0.000	0.000	0.000
126	A	170	ASP	-1	-0.898	-0.911	17.837	15.335	15.335	0.000	0.000	0.000	0.000
127	A	171	GLY	0	-0.019	-0.010	17.629	0.601	0.601	0.000	0.000	0.000	0.000
128	A	172	THR	0	-0.092	-0.055	18.540	-0.095	-0.095	0.000	0.000	0.000	0.000
129	A	173	ILE	0	-0.045	-0.027	21.840	-0.517	-0.517	0.000	0.000	0.000	0.000
130	A	174	VAL	0	0.008	0.000	19.891	0.633	0.633	0.000	0.000	0.000	0.000
131	A	175	GLY	0	0.017	0.001	21.967	-0.675	-0.675	0.000	0.000	0.000	0.000
132	A	176	PRO	0	-0.011	0.015	22.421	0.764	0.764	0.000	0.000	0.000	0.000
133	A	177	ASN	0	-0.044	-0.020	20.470	0.544	0.544	0.000	0.000	0.000	0.000
134	A	178	VAL	0	0.013	0.014	23.593	-0.519	-0.519	0.000	0.000	0.000	0.000
135	A	179	TYR	0	-0.038	-0.010	24.024	0.213	0.213	0.000	0.000	0.000	0.000
136	A	180	SER	0	0.007	-0.030	28.643	-0.326	-0.326	0.000	0.000	0.000	0.000
137	A	181	SER	0	0.046	0.011	31.554	0.121	0.121	0.000	0.000	0.000	0.000
138	A	182	GLY	0	-0.058	-0.023	34.084	-0.133	-0.133	0.000	0.000	0.000	0.000
139	A	183	ALA	0	-0.029	-0.004	35.454	-0.062	-0.062	0.000	0.000	0.000	0.000
140	A	184	ALA	0	0.015	0.013	39.188	0.043	0.043	0.000	0.000	0.000	0.000
141	A	185	LEU	0	-0.050	-0.032	41.248	-0.121	-0.121	0.000	0.000	0.000	0.000
142	A	186	SER	0	0.028	-0.005	43.928	-0.042	-0.042	0.000	0.000	0.000	0.000
143	A	187	GLN	0	0.029	0.033	47.504	0.033	0.033	0.000	0.000	0.000	0.000
144	A	188	THR	0	0.028	-0.048	50.900	0.027	0.027	0.000	0.000	0.000	0.000
145	A	189	ALA	0	-0.096	-0.044	53.300	-0.081	-0.081	0.000	0.000	0.000	0.000
146	A	190	GLY	0	0.008	0.004	51.371	-0.058	-0.058	0.000	0.000	0.000	0.000
147	A	191	HIS	0	-0.025	-0.060	47.006	-0.073	-0.073	0.000	0.000	0.000	0.000
148	A	192	GLY	0	-0.008	-0.013	47.053	0.063	0.063	0.000	0.000	0.000	0.000
149	A	193	ASP	-1	-0.819	-0.905	47.730	6.216	6.216	0.000	0.000	0.000	0.000
150	A	194	ILE	0	-0.036	-0.016	47.562	-0.001	-0.001	0.000	0.000	0.000	0.000
151	A	195	PHE	0	0.009	-0.009	51.610	-0.096	-0.096	0.000	0.000	0.000	0.000
152	A	196	ALA	0	-0.010	0.004	54.519	-0.107	-0.107	0.000	0.000	0.000	0.000
153	A	197	LEU	0	-0.049	-0.012	51.213	-0.074	-0.074	0.000	0.000	0.000	0.000
154	A	198	PRO	0	0.009	0.010	55.400	-0.042	-0.042	0.000	0.000	0.000	0.000
155	A	199	ALA	0	0.078	0.020	55.352	0.096	0.096	0.000	0.000	0.000	0.000
156	A	200	GLY	0	-0.025	-0.006	54.379	0.095	0.095	0.000	0.000	0.000	0.000
157	A	201	GLU	-1	-0.869	-0.945	52.760	5.849	5.849	0.000	0.000	0.000	0.000
158	A	202	VAL	0	0.026	0.030	49.603	0.188	0.188	0.000	0.000	0.000	0.000
159	A	203	LEU	0	0.030	0.005	49.362	0.163	0.163	0.000	0.000	0.000	0.000
160	A	204	GLY	0	-0.026	-0.001	49.749	0.096	0.096	0.000	0.000	0.000	0.000
161	A	205	SER	0	-0.066	-0.036	46.490	0.164	0.164	0.000	0.000	0.000	0.000
162	A	206	TYR	0	0.007	-0.016	42.968	0.180	0.180	0.000	0.000	0.000	0.000
163	A	207	GLY	0	0.051	0.053	45.946	0.058	0.058	0.000	0.000	0.000	0.000
164	A	208	VAL	0	-0.044	-0.017	44.460	0.154	0.154	0.000	0.000	0.000	0.000
165	A	209	MET	0	0.009	0.012	46.647	0.069	0.069	0.000	0.000	0.000	0.000
166	A	210	ASN	0	-0.032	-0.021	48.630	0.057	0.057	0.000	0.000	0.000	0.000
167	A	211	PRO	0	0.023	0.016	45.149	0.055	0.055	0.000	0.000	0.000	0.000
168	A	212	ARG	1	0.830	0.925	44.300	-7.181	-7.181	0.000	0.000	0.000	0.000
169	A	213	PRO	0	0.018	-0.003	43.420	0.190	0.190	0.000	0.000	0.000	0.000
170	A	214	GLY	0	0.028	0.013	42.256	-0.116	-0.116	0.000	0.000	0.000	0.000
171	A	215	TYR	0	-0.023	-0.020	35.895	-0.067	-0.067	0.000	0.000	0.000	0.000
172	A	216	TRP	0	0.031	0.019	39.773	0.161	0.161	0.000	0.000	0.000	0.000
173	A	217	GLY	0	0.017	0.007	40.161	0.168	0.168	0.000	0.000	0.000	0.000
174	A	218	ALA	0	-0.041	-0.024	36.305	0.184	0.184	0.000	0.000	0.000	0.000
175	A	219	GLY	0	0.064	0.039	38.144	0.057	0.057	0.000	0.000	0.000	0.000
176	A	220	PRO	0	0.012	-0.001	39.067	0.151	0.151	0.000	0.000	0.000	0.000
177	A	221	LEU	0	0.006	0.024	40.104	0.021	0.021	0.000	0.000	0.000	0.000
178	A	222	CYS	0	-0.104	-0.045	42.117	0.043	0.043	0.000	0.000	0.000	0.000
179	A	223	ILE	0	0.039	0.022	44.095	-0.010	-0.010	0.000	0.000	0.000	0.000
180	A	224	ALA	0	-0.037	-0.027	46.791	0.026	0.026	0.000	0.000	0.000	0.000
181	A	225	ASP	-1	-0.770	-0.842	48.791	6.105	6.105	0.000	0.000	0.000	0.000
182	A	226	GLY	0	0.014	0.004	52.083	-0.052	-0.052	0.000	0.000	0.000	0.000
183	A	227	VAL	0	0.000	-0.025	49.670	0.135	0.135	0.000	0.000	0.000	0.000
184	A	228	GLU	-1	-0.948	-0.985	48.769	6.560	6.560	0.000	0.000	0.000	0.000
185	A	229	GLU	-1	-0.855	-0.939	47.954	6.618	6.618	0.000	0.000	0.000	0.000
186	A	230	VAL	0	0.047	0.017	46.103	0.207	0.207	0.000	0.000	0.000	0.000
187	A	231	ARG	1	0.904	0.956	44.007	-6.693	-6.693	0.000	0.000	0.000	0.000
188	A	232	ARG	1	0.815	0.900	42.510	-6.711	-6.711	0.000	0.000	0.000	0.000
189	A	233	ALA	0	0.068	0.040	41.812	0.204	0.204	0.000	0.000	0.000	0.000
190	A	234	VAL	0	0.021	0.014	38.588	0.211	0.211	0.000	0.000	0.000	0.000
191	A	235	ARG	1	0.805	0.867	38.034	-7.392	-7.392	0.000	0.000	0.000	0.000
192	A	236	LEU	0	-0.028	-0.012	37.146	0.282	0.282	0.000	0.000	0.000	0.000
193	A	237	GLN	0	0.063	0.049	36.052	0.351	0.351	0.000	0.000	0.000	0.000
194	A	238	ILE	0	0.012	0.003	32.589	0.351	0.351	0.000	0.000	0.000	0.000
195	A	239	ARG	1	0.909	0.969	32.234	-8.579	-8.579	0.000	0.000	0.000	0.000
196	A	240	ARG	1	0.743	0.856	32.083	-8.722	-8.722	0.000	0.000	0.000	0.000
197	A	241	GLY	0	-0.023	-0.018	28.851	0.364	0.364	0.000	0.000	0.000	0.000
198	A	242	ALA	0	-0.011	0.001	29.220	0.245	0.245	0.000	0.000	0.000	0.000
199	A	243	LYS	1	0.852	0.924	24.132	-12.490	-12.490	0.000	0.000	0.000	0.000
200	A	244	VAL	0	-0.017	-0.002	30.494	-0.005	-0.005	0.000	0.000	0.000	0.000
201	A	245	ILE	0	-0.006	0.006	33.870	-0.020	-0.020	0.000	0.000	0.000	0.000
202	A	246	LYS	1	0.885	0.954	37.459	-7.829	-7.829	0.000	0.000	0.000	0.000
203	A	247	VAL	0	-0.016	-0.005	39.882	-0.065	-0.065	0.000	0.000	0.000	0.000
204	A	248	MET	0	0.008	0.026	43.688	0.028	0.028	0.000	0.000	0.000	0.000
205	A	249	ALA	0	0.008	0.001	46.606	-0.084	-0.084	0.000	0.000	0.000	0.000
206	A	250	SER	0	-0.032	-0.036	48.950	-0.087	-0.087	0.000	0.000	0.000	0.000
207	A	251	GLY	0	0.033	0.037	50.832	0.086	0.086	0.000	0.000	0.000	0.000
208	A	252	GLY	0	-0.053	-0.047	51.164	0.086	0.086	0.000	0.000	0.000	0.000
209	A	253	VAL	0	-0.066	-0.037	52.127	0.027	0.027	0.000	0.000	0.000	0.000
210	A	254	MET	0	0.052	0.051	49.094	-0.037	-0.037	0.000	0.000	0.000	0.000
211	A	255	SER	0	-0.037	-0.041	54.427	-0.024	-0.024	0.000	0.000	0.000	0.000
212	A	256	ARG	1	0.815	0.847	58.212	-4.968	-4.968	0.000	0.000	0.000	0.000
213	A	257	ASP	-1	-0.822	-0.854	60.542	5.134	5.134	0.000	0.000	0.000	0.000
214	A	258	ASP	-1	-0.779	-0.876	54.713	5.952	5.952	0.000	0.000	0.000	0.000
215	A	259	ASN	0	-0.024	-0.001	57.534	-0.001	-0.001	0.000	0.000	0.000	0.000
216	A	260	PRO	0	0.040	0.029	53.916	0.049	0.049	0.000	0.000	0.000	0.000
217	A	261	ASN	0	-0.054	-0.054	54.580	0.097	0.097	0.000	0.000	0.000	0.000
218	A	262	PHE	0	-0.046	-0.018	56.957	-0.034	-0.034	0.000	0.000	0.000	0.000
219	A	263	ALA	0	0.024	0.005	53.571	0.102	0.102	0.000	0.000	0.000	0.000
220	A	264	GLN	0	0.021	0.029	51.099	0.029	0.029	0.000	0.000	0.000	0.000
221	A	265	PHE	0	-0.030	-0.010	46.806	0.135	0.135	0.000	0.000	0.000	0.000
222	A	266	SER	0	-0.027	-0.036	51.897	-0.070	-0.070	0.000	0.000	0.000	0.000
223	A	267	PRO	0	0.023	-0.016	51.718	0.138	0.138	0.000	0.000	0.000	0.000
224	A	268	GLU	-1	-0.892	-0.951	51.062	5.933	5.933	0.000	0.000	0.000	0.000
225	A	269	GLU	-1	-0.798	-0.862	49.400	6.314	6.314	0.000	0.000	0.000	0.000
226	A	270	LEU	0	0.011	0.010	47.038	0.199	0.199	0.000	0.000	0.000	0.000
227	A	271	LYS	1	0.889	0.928	46.091	-6.396	-6.396	0.000	0.000	0.000	0.000
228	A	272	VAL	0	-0.033	-0.011	45.843	0.164	0.164	0.000	0.000	0.000	0.000
229	A	273	ILE	0	0.027	0.004	42.270	0.213	0.213	0.000	0.000	0.000	0.000
230	A	274	VAL	0	0.006	0.001	41.635	0.264	0.264	0.000	0.000	0.000	0.000
231	A	275	GLU	-1	-0.876	-0.919	40.804	7.125	7.125	0.000	0.000	0.000	0.000
232	A	276	GLU	-1	-0.813	-0.872	40.660	7.800	7.800	0.000	0.000	0.000	0.000
233	A	277	ALA	0	0.027	0.018	37.343	0.244	0.244	0.000	0.000	0.000	0.000
234	A	278	ALA	0	0.022	0.012	36.211	0.306	0.306	0.000	0.000	0.000	0.000
235	A	279	ARG	1	0.838	0.930	36.489	-7.745	-7.745	0.000	0.000	0.000	0.000
236	A	280	GLN	0	-0.033	-0.016	33.179	0.002	0.002	0.000	0.000	0.000	0.000
237	A	281	ASN	0	0.000	-0.003	29.880	0.143	0.143	0.000	0.000	0.000	0.000
238	A	282	ARG	1	0.812	0.911	29.271	-10.054	-10.054	0.000	0.000	0.000	0.000
239	A	283	ILE	0	0.005	0.011	34.067	-0.238	-0.238	0.000	0.000	0.000	0.000
240	A	284	VAL	0	0.030	0.001	36.630	0.114	0.114	0.000	0.000	0.000	0.000
241	A	285	SER	0	-0.031	-0.044	37.959	0.003	0.003	0.000	0.000	0.000	0.000
242	A	286	ALA	0	0.005	-0.007	40.038	-0.050	-0.050	0.000	0.000	0.000	0.000
243	A	287	HIS	0	0.003	0.007	43.658	0.147	0.147	0.000	0.000	0.000	0.000
244	A	288	VAL	0	-0.024	-0.016	45.294	-0.138	-0.138	0.000	0.000	0.000	0.000
245	A	289	HIS	0	0.113	0.077	48.406	-0.055	-0.055	0.000	0.000	0.000	0.000
246	A	290	GLY	0	0.017	0.008	51.197	-0.044	-0.044	0.000	0.000	0.000	0.000
247	A	291	LYS	1	0.838	0.879	53.112	-5.609	-5.609	0.000	0.000	0.000	0.000
248	A	292	ALA	0	0.002	0.001	54.059	0.054	0.054	0.000	0.000	0.000	0.000
249	A	293	GLY	0	0.054	0.024	52.061	0.034	0.034	0.000	0.000	0.000	0.000
250	A	294	ILE	0	-0.003	0.002	49.057	0.115	0.115	0.000	0.000	0.000	0.000
251	A	295	MET	0	-0.015	-0.015	49.638	0.148	0.148	0.000	0.000	0.000	0.000
252	A	296	ALA	0	-0.018	0.007	51.507	0.031	0.031	0.000	0.000	0.000	0.000
253	A	297	ALA	0	0.046	0.012	46.183	0.081	0.081	0.000	0.000	0.000	0.000
254	A	298	ILE	0	0.013	0.002	46.519	0.142	0.142	0.000	0.000	0.000	0.000
255	A	299	LYS	1	0.882	0.952	47.326	-5.954	-5.954	0.000	0.000	0.000	0.000
256	A	300	ALA	0	-0.024	-0.014	47.117	0.005	0.005	0.000	0.000	0.000	0.000
257	A	301	GLY	0	0.002	0.006	44.292	0.079	0.079	0.000	0.000	0.000	0.000
258	A	302	CYS	0	-0.076	-0.022	41.949	0.225	0.225	0.000	0.000	0.000	0.000
259	A	303	LYS	1	0.830	0.918	38.370	-8.018	-8.018	0.000	0.000	0.000	0.000
260	A	304	SER	0	0.001	0.003	37.992	0.214	0.214	0.000	0.000	0.000	0.000
261	A	305	LEU	0	-0.015	0.009	40.135	-0.114	-0.114	0.000	0.000	0.000	0.000
262	A	306	GLU	-1	-0.722	-0.829	39.705	8.091	8.091	0.000	0.000	0.000	0.000
263	A	307	HIS	0	-0.010	0.003	43.171	-0.209	-0.209	0.000	0.000	0.000	0.000
264	A	308	VAL	0	-0.034	-0.035	45.227	-0.082	-0.082	0.000	0.000	0.000	0.000
265	A	309	SER	0	0.006	-0.022	48.070	-0.043	-0.043	0.000	0.000	0.000	0.000
266	A	310	TYR	0	-0.038	-0.021	50.968	-0.100	-0.100	0.000	0.000	0.000	0.000
267	A	311	ALA	0	-0.038	-0.009	49.774	-0.075	-0.075	0.000	0.000	0.000	0.000
268	A	312	ASP	-1	-0.791	-0.894	51.891	5.704	5.704	0.000	0.000	0.000	0.000
269	A	313	GLU	-1	-0.911	-0.975	52.831	5.718	5.718	0.000	0.000	0.000	0.000
270	A	314	GLU	-1	-0.873	-0.914	53.091	5.767	5.767	0.000	0.000	0.000	0.000
271	A	315	VAL	0	-0.012	-0.009	49.129	0.095	0.095	0.000	0.000	0.000	0.000
272	A	316	TRP	0	0.006	0.014	48.549	0.101	0.101	0.000	0.000	0.000	0.000
273	A	317	GLU	-1	-0.774	-0.880	48.170	6.508	6.508	0.000	0.000	0.000	0.000
274	A	318	LEU	0	-0.028	-0.003	48.983	0.112	0.112	0.000	0.000	0.000	0.000
275	A	319	MET	0	-0.043	-0.008	43.812	0.076	0.076	0.000	0.000	0.000	0.000
276	A	320	LYS	1	0.776	0.880	44.077	-6.380	-6.380	0.000	0.000	0.000	0.000
277	A	321	GLU	-1	-0.876	-0.903	44.384	6.685	6.685	0.000	0.000	0.000	0.000
278	A	322	LYS	1	0.822	0.883	44.508	-6.495	-6.495	0.000	0.000	0.000	0.000
279	A	323	GLY	0	0.002	0.008	40.605	0.185	0.185	0.000	0.000	0.000	0.000
280	A	324	ILE	0	-0.115	-0.058	39.838	0.218	0.218	0.000	0.000	0.000	0.000
281	A	325	LEU	0	0.001	0.008	35.779	-0.077	-0.077	0.000	0.000	0.000	0.000
282	A	326	TYR	0	0.044	0.007	39.781	-0.156	-0.156	0.000	0.000	0.000	0.000
283	A	327	VAL	0	0.010	-0.005	37.839	0.119	0.119	0.000	0.000	0.000	0.000
284	A	328	ALA	0	0.050	0.027	40.831	-0.111	-0.111	0.000	0.000	0.000	0.000
285	A	329	THR	0	0.009	0.023	41.161	-0.056	-0.056	0.000	0.000	0.000	0.000
286	A	330	ARG	1	0.772	0.859	42.740	-6.568	-6.568	0.000	0.000	0.000	0.000
287	A	331	SER	0	-0.006	-0.036	42.057	-0.139	-0.139	0.000	0.000	0.000	0.000
288	A	332	VAL	0	0.007	0.015	43.656	-0.113	-0.113	0.000	0.000	0.000	0.000
289	A	333	ILE	0	-0.039	-0.019	46.028	-0.149	-0.149	0.000	0.000	0.000	0.000
290	A	334	GLU	-1	-0.761	-0.856	47.111	6.238	6.238	0.000	0.000	0.000	0.000
291	A	335	ILE	0	0.003	0.015	44.509	-0.106	-0.106	0.000	0.000	0.000	0.000
292	A	336	PHE	0	0.045	0.023	48.958	-0.112	-0.112	0.000	0.000	0.000	0.000
293	A	337	LEU	0	-0.079	-0.041	51.891	-0.177	-0.177	0.000	0.000	0.000	0.000
294	A	338	ALA	0	-0.032	-0.020	51.137	-0.123	-0.123	0.000	0.000	0.000	0.000
295	A	339	SER	0	0.026	0.019	53.093	-0.021	-0.021	0.000	0.000	0.000	0.000
296	A	340	ASN	0	-0.041	-0.030	54.978	-0.135	-0.135	0.000	0.000	0.000	0.000
297	A	341	GLY	0	-0.019	0.006	57.917	-0.097	-0.097	0.000	0.000	0.000	0.000
298	A	342	GLU	-1	-0.951	-0.962	56.235	5.523	5.523	0.000	0.000	0.000	0.000
299	A	343	GLY	0	-0.029	-0.024	59.555	0.050	0.050	0.000	0.000	0.000	0.000
300	A	344	LEU	0	0.027	0.017	57.525	0.056	0.056	0.000	0.000	0.000	0.000
301	A	345	VAL	0	-0.036	-0.011	61.995	-0.082	-0.082	0.000	0.000	0.000	0.000
302	A	346	LYS	1	0.933	0.939	63.997	-4.539	-4.539	0.000	0.000	0.000	0.000
303	A	347	GLU	-1	-0.825	-0.918	64.889	4.756	4.756	0.000	0.000	0.000	0.000
304	A	348	SER	0	-0.040	-0.036	60.920	0.030	0.030	0.000	0.000	0.000	0.000
305	A	349	TRP	0	0.038	0.044	56.480	0.109	0.109	0.000	0.000	0.000	0.000
306	A	350	ALA	0	0.033	0.011	60.335	0.054	0.054	0.000	0.000	0.000	0.000
307	A	351	LYS	1	0.896	0.947	59.859	-5.048	-5.048	0.000	0.000	0.000	0.000
308	A	352	LEU	0	0.059	0.038	54.577	0.044	0.044	0.000	0.000	0.000	0.000
309	A	353	GLN	0	0.031	0.025	56.091	0.036	0.036	0.000	0.000	0.000	0.000
310	A	354	ALA	0	0.017	0.023	57.527	0.049	0.049	0.000	0.000	0.000	0.000
311	A	355	LEU	0	-0.008	0.010	52.593	0.028	0.028	0.000	0.000	0.000	0.000
312	A	356	ALA	0	0.031	0.015	52.999	0.107	0.107	0.000	0.000	0.000	0.000
313	A	357	ASP	-1	-0.905	-0.956	53.454	5.641	5.641	0.000	0.000	0.000	0.000
314	A	358	SER	0	-0.124	-0.073	55.190	0.003	0.003	0.000	0.000	0.000	0.000
315	A	359	HIS	0	0.017	0.007	46.574	-0.037	-0.037	0.000	0.000	0.000	0.000
316	A	360	LEU	0	-0.027	0.000	50.335	0.124	0.124	0.000	0.000	0.000	0.000
317	A	361	LYS	1	0.956	0.964	51.213	-5.382	-5.382	0.000	0.000	0.000	0.000
318	A	362	ALA	0	0.001	0.020	50.526	0.026	0.026	0.000	0.000	0.000	0.000
319	A	363	TYR	0	0.042	0.014	42.454	0.124	0.124	0.000	0.000	0.000	0.000
320	A	364	GLN	0	-0.032	-0.034	47.637	-0.013	-0.013	0.000	0.000	0.000	0.000
321	A	365	GLY	0	-0.032	-0.016	49.858	0.014	0.014	0.000	0.000	0.000	0.000
322	A	366	ALA	0	0.007	0.010	46.329	0.017	0.017	0.000	0.000	0.000	0.000
323	A	367	ILE	0	0.004	0.010	44.208	0.104	0.104	0.000	0.000	0.000	0.000
324	A	368	LYS	1	0.918	0.967	46.245	-5.976	-5.976	0.000	0.000	0.000	0.000
325	A	369	ALA	0	-0.029	-0.007	49.058	-0.013	-0.013	0.000	0.000	0.000	0.000
326	A	370	GLY	0	0.033	0.022	44.902	0.009	0.009	0.000	0.000	0.000	0.000
327	A	371	VAL	0	-0.058	-0.030	43.421	0.105	0.105	0.000	0.000	0.000	0.000
328	A	372	THR	0	-0.010	0.000	37.658	0.043	0.043	0.000	0.000	0.000	0.000
329	A	373	ILE	0	0.015	0.006	39.599	-0.022	-0.022	0.000	0.000	0.000	0.000
330	A	374	ALA	0	0.012	0.016	35.169	0.236	0.236	0.000	0.000	0.000	0.000
331	A	375	LEU	0	-0.001	0.002	35.881	-0.262	-0.262	0.000	0.000	0.000	0.000
332	A	376	GLY	0	0.034	0.002	35.734	0.311	0.311	0.000	0.000	0.000	0.000
333	A	377	THR	0	-0.036	-0.032	37.146	-0.228	-0.228	0.000	0.000	0.000	0.000
334	A	378	ASP	-1	-0.902	-0.942	38.877	7.448	7.448	0.000	0.000	0.000	0.000
335	A	379	THR	0	-0.001	-0.007	37.651	-0.095	-0.095	0.000	0.000	0.000	0.000
336	A	380	ALA	0	0.083	0.044	36.790	0.177	0.177	0.000	0.000	0.000	0.000
337	A	381	PRO	0	-0.022	-0.035	31.266	0.061	0.061	0.000	0.000	0.000	0.000
338	A	382	GLY	0	-0.026	-0.012	32.603	-0.091	-0.091	0.000	0.000	0.000	0.000
339	A	383	GLY	0	-0.003	0.018	33.457	-0.161	-0.161	0.000	0.000	0.000	0.000
340	A	384	PRO	0	0.007	0.013	35.640	0.222	0.222	0.000	0.000	0.000	0.000
341	A	385	THR	0	0.005	-0.019	33.069	-0.163	-0.163	0.000	0.000	0.000	0.000
342	A	386	ALA	0	0.026	0.018	35.128	-0.108	-0.108	0.000	0.000	0.000	0.000
343	A	387	LEU	0	0.015	0.006	36.598	-0.111	-0.111	0.000	0.000	0.000	0.000
344	A	388	GLU	-1	-0.747	-0.858	38.345	7.358	7.358	0.000	0.000	0.000	0.000
345	A	389	LEU	0	-0.047	-0.021	34.483	-0.109	-0.109	0.000	0.000	0.000	0.000
346	A	390	GLN	0	0.019	0.002	39.103	-0.030	-0.030	0.000	0.000	0.000	0.000
347	A	391	PHE	0	0.007	0.000	42.245	-0.203	-0.203	0.000	0.000	0.000	0.000
348	A	392	ALA	0	0.028	0.010	40.927	-0.168	-0.168	0.000	0.000	0.000	0.000
349	A	393	VAL	0	-0.024	-0.002	41.557	-0.105	-0.105	0.000	0.000	0.000	0.000
350	A	394	GLU	-1	-0.861	-0.918	44.246	6.666	6.666	0.000	0.000	0.000	0.000
351	A	395	ARG	1	0.769	0.868	46.790	-6.450	-6.450	0.000	0.000	0.000	0.000
352	A	396	GLY	0	0.014	-0.008	45.979	-0.135	-0.135	0.000	0.000	0.000	0.000
353	A	397	GLY	0	-0.011	-0.004	46.821	-0.110	-0.110	0.000	0.000	0.000	0.000
354	A	398	MET	0	-0.057	-0.008	40.800	0.073	0.073	0.000	0.000	0.000	0.000
355	A	399	THR	0	-0.012	-0.043	41.946	0.012	0.012	0.000	0.000	0.000	0.000
356	A	400	PRO	0	0.027	-0.004	39.747	0.145	0.145	0.000	0.000	0.000	0.000
357	A	401	LEU	0	0.020	0.008	35.454	0.224	0.224	0.000	0.000	0.000	0.000
358	A	402	GLU	-1	-0.817	-0.880	36.795	7.645	7.645	0.000	0.000	0.000	0.000
359	A	403	ALA	0	0.013	0.009	37.961	0.132	0.132	0.000	0.000	0.000	0.000
360	A	404	ILE	0	0.024	0.000	32.313	0.191	0.191	0.000	0.000	0.000	0.000
361	A	405	LYS	1	0.829	0.939	33.280	-8.559	-8.559	0.000	0.000	0.000	0.000
362	A	406	ALA	0	-0.036	-0.018	33.864	0.212	0.212	0.000	0.000	0.000	0.000
363	A	407	ALA	0	0.007	0.007	33.005	0.063	0.063	0.000	0.000	0.000	0.000
364	A	408	THR	0	-0.028	-0.038	29.013	0.370	0.370	0.000	0.000	0.000	0.000
365	A	409	ALA	0	-0.012	-0.002	29.710	0.144	0.144	0.000	0.000	0.000	0.000
366	A	410	ASN	0	-0.021	-0.034	30.742	0.199	0.199	0.000	0.000	0.000	0.000
367	A	411	ALA	0	0.052	0.039	30.620	-0.130	-0.130	0.000	0.000	0.000	0.000
368	A	412	PRO	0	0.032	0.031	27.563	-0.123	-0.123	0.000	0.000	0.000	0.000
369	A	413	LEU	0	0.010	0.007	29.816	-0.029	-0.029	0.000	0.000	0.000	0.000
370	A	414	SER	0	-0.024	-0.018	32.153	-0.162	-0.162	0.000	0.000	0.000	0.000
371	A	415	VAL	0	-0.035	-0.030	28.464	-0.135	-0.135	0.000	0.000	0.000	0.000
372	A	416	GLY	0	0.016	0.011	31.395	0.082	0.082	0.000	0.000	0.000	0.000
373	A	417	PRO	0	-0.025	-0.024	30.198	0.286	0.286	0.000	0.000	0.000	0.000
374	A	418	GLN	0	-0.073	-0.039	27.565	0.718	0.718	0.000	0.000	0.000	0.000
375	A	419	ALA	0	0.017	0.014	26.044	0.500	0.500	0.000	0.000	0.000	0.000
376	A	420	PRO	0	-0.012	0.023	21.514	-0.082	-0.082	0.000	0.000	0.000	0.000
377	A	421	LEU	0	-0.005	-0.007	22.278	-0.520	-0.520	0.000	0.000	0.000	0.000
378	A	422	THR	0	0.036	0.003	22.215	0.487	0.487	0.000	0.000	0.000	0.000
379	A	423	GLY	0	0.040	0.024	24.006	-0.497	-0.497	0.000	0.000	0.000	0.000
380	A	424	GLN	0	0.012	-0.002	25.028	-0.486	-0.486	0.000	0.000	0.000	0.000
381	A	425	LEU	0	-0.061	0.002	22.933	0.615	0.615	0.000	0.000	0.000	0.000
382	A	426	ARG	1	0.902	0.936	23.344	-11.532	-11.532	0.000	0.000	0.000	0.000
383	A	427	GLU	-1	-0.927	-0.963	20.096	15.015	15.015	0.000	0.000	0.000	0.000
384	A	428	GLY	0	-0.031	-0.016	19.132	-0.544	-0.544	0.000	0.000	0.000	0.000
385	A	429	TYR	0	-0.052	-0.018	19.818	0.017	0.017	0.000	0.000	0.000	0.000
386	A	430	GLU	-1	-0.868	-0.959	18.025	16.383	16.383	0.000	0.000	0.000	0.000
387	A	431	ALA	0	-0.048	-0.019	15.786	-0.734	-0.734	0.000	0.000	0.000	0.000
388	A	432	ASP	-1	-0.812	-0.897	17.896	15.435	15.435	0.000	0.000	0.000	0.000
389	A	433	VAL	0	-0.046	-0.022	19.734	-0.675	-0.675	0.000	0.000	0.000	0.000
390	A	434	ILE	0	0.004	0.004	22.009	0.347	0.347	0.000	0.000	0.000	0.000
391	A	435	ALA	0	-0.002	-0.006	24.538	-0.153	-0.153	0.000	0.000	0.000	0.000
392	A	436	LEU	0	-0.003	0.001	26.311	-0.019	-0.019	0.000	0.000	0.000	0.000
393	A	437	GLU	-1	-0.951	-0.981	29.894	9.570	9.570	0.000	0.000	0.000	0.000
394	A	438	GLU	-1	-0.888	-0.950	32.045	8.338	8.338	0.000	0.000	0.000	0.000
395	A	439	ASN	0	-0.016	-0.044	34.156	0.401	0.401	0.000	0.000	0.000	0.000
396	A	440	PRO	0	0.030	0.024	33.516	-0.256	-0.256	0.000	0.000	0.000	0.000
397	A	441	LEU	0	-0.048	-0.036	35.768	-0.150	-0.150	0.000	0.000	0.000	0.000
398	A	442	GLU	-1	-0.946	-0.954	38.636	7.627	7.627	0.000	0.000	0.000	0.000
399	A	443	ASP	-1	-0.840	-0.925	39.934	7.254	7.254	0.000	0.000	0.000	0.000
400	A	444	ILE	0	-0.004	0.001	37.612	0.216	0.216	0.000	0.000	0.000	0.000
401	A	445	LYS	1	0.847	0.918	38.530	-6.819	-6.819	0.000	0.000	0.000	0.000
402	A	446	VAL	0	0.001	0.009	34.890	0.083	0.083	0.000	0.000	0.000	0.000
403	A	447	PHE	0	-0.035	-0.041	31.488	0.191	0.191	0.000	0.000	0.000	0.000
404	A	448	GLN	0	-0.023	-0.013	34.836	0.150	0.150	0.000	0.000	0.000	0.000
405	A	449	GLU	-1	-0.877	-0.915	35.596	8.570	8.570	0.000	0.000	0.000	0.000
406	A	450	PRO	0	0.066	0.020	31.874	0.249	0.249	0.000	0.000	0.000	0.000
407	A	451	LYS	1	0.813	0.910	31.032	-8.452	-8.452	0.000	0.000	0.000	0.000
408	A	452	ALA	0	-0.020	-0.010	31.666	0.196	0.196	0.000	0.000	0.000	0.000
409	A	453	VAL	0	-0.011	0.007	26.799	0.200	0.200	0.000	0.000	0.000	0.000
410	A	454	THR	0	0.019	0.017	26.858	0.429	0.429	0.000	0.000	0.000	0.000
411	A	455	HIS	1	0.811	0.893	20.809	-12.948	-12.948	0.000	0.000	0.000	0.000
412	A	456	VAL	0	0.022	0.013	21.758	-0.318	-0.318	0.000	0.000	0.000	0.000
413	A	457	TRP	0	-0.012	-0.013	15.921	0.071	0.071	0.000	0.000	0.000	0.000
414	A	458	LYS	1	0.884	0.932	17.701	-15.802	-15.802	0.000	0.000	0.000	0.000
415	A	459	GLY	0	0.026	0.011	15.628	0.959	0.959	0.000	0.000	0.000	0.000
416	A	460	GLY	0	-0.016	-0.012	13.300	1.654	1.654	0.000	0.000	0.000	0.000
417	A	461	LYS	1	0.816	0.926	12.670	-19.824	-19.824	0.000	0.000	0.000	0.000
418	A	462	LEU	0	-0.026	-0.013	14.250	-1.528	-1.528	0.000	0.000	0.000	0.000
419	A	463	PHE	0	0.002	-0.026	16.675	0.458	0.458	0.000	0.000	0.000	0.000
420	A	464	LYS	1	0.846	0.931	19.657	-11.637	-11.637	0.000	0.000	0.000	0.000
421	A	465	GLY	0	0.041	0.020	21.696	0.315	0.315	0.000	0.000	0.000	0.000
422	A	466	PRO	0	-0.013	-0.011	22.248	-0.063	-0.063	0.000	0.000	0.000	0.000
423	A	467	GLY	0	-0.009	0.001	21.367	0.529	0.529	0.000	0.000	0.000	0.000
424	A	468	ILE	0	-0.049	-0.005	17.635	0.684	0.684	0.000	0.000	0.000	0.000
425	A	469	GLY	0	0.009	0.007	20.488	-0.655	-0.655	0.000	0.000	0.000	0.000
426	A	470	PRO	0	0.029	0.000	22.102	0.242	0.242	0.000	0.000	0.000	0.000
427	A	471	TRP	0	0.028	0.014	20.848	-0.100	-0.100	0.000	0.000	0.000	0.000
428	A	472	GLY	0	0.036	0.029	18.327	0.647	0.647	0.000	0.000	0.000	0.000
429	A	473	GLU	-1	-0.850	-0.913	13.149	22.741	22.741	0.000	0.000	0.000	0.000
430	A	474	ASP	-1	-0.910	-0.960	11.355	25.751	25.751	0.000	0.000	0.000	0.000
431	A	475	ALA	0	-0.033	0.003	14.247	0.524	0.524	0.000	0.000	0.000	0.000
432	A	476	ARG	1	0.941	0.959	14.316	-19.768	-19.768	0.000	0.000	0.000	0.000
433	A	477	ASN	0	0.046	0.010	17.922	-0.218	-0.218	0.000	0.000	0.000	0.000
434	A	478	PRO	0	0.017	0.020	19.696	0.331	0.331	0.000	0.000	0.000	0.000
435	A	479	PHE	0	-0.007	-0.004	20.662	-0.081	-0.081	0.000	0.000	0.000	0.000
436	A	480	LEU	0	-0.059	-0.014	20.595	-0.451	-0.451	0.000	0.000	0.000	0.000

Top

Graph

Overview

Highlights

Manual

Support

Interactive mode: IFIE and PIEDA for fragment #1(A:45:ASP)