FMO DATABASE

FMODB ID: Q8Q1Y

Calculation Name: 7NN0-A-Xray249

Preferred Name:

Target Type:

Ligand Name: phosphoaminophosphonic acid-adenylate ester

ligand 3-letter code: ANP

PDB ID: 7NN0

Chain ID: A

ChEMBL ID:

UniProt ID:

Base Structure: X-ray

Registration Date: 2021-06-08

Reference: A. Yamamoto, K. Kato, Y. Handa, Y. Kawashima, K. Fukuzawa et. Al., FMO Calculation for SARS Cov-2 related proteins. 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	Selected crystal waters in PDB.
Procedure	Manual calculation

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Manual
Number of fragment	597
LigandCharge	ZN1=2,ZN2=2,ZN3=2,MG1=2,ANP=-4
Software	ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-12786140.039848
FMO2-HF: Nuclear repulsion	12542786.417796
FMO2-HF: Total energy	-243353.622052
FMO2-MP2: Total energy	-244031.374242

3D Structure

Snapshot

Ligand structure

ANP

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.
-924.872	-1041.596	329.314	-113.644	-98.946	-0.071

Interactive mode: IFIE and PIEDA for fragment #593(A:701:ANP )

Summations of interaction energy for fragment #593(A:701:ANP )

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.
-924.872	-1041.596	329.314	-113.644	-98.946	0.071

Interaction energy analysis for fragmet #593(A:701:ANP )

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : -2 / q_Mulliken : -1.932 / q_NPA : -1.981

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].
281	A	282	GLY	0	0.025	-0.007	5.078	-2.985	-2.981	-0.001	-0.004	0.001	0.000
282	A	283	PRO	0	0.003	0.018	5.081	10.352	10.398	-0.001	-0.020	-0.023	0.000
283	A	284	PRO	0	0.020	0.024	2.320	23.224	25.289	3.565	-2.633	-2.997	0.026
284	A	285	GLY	0	0.007	-0.004	1.700	-27.411	-33.049	18.172	-6.254	-6.280	0.043
285	A	286	THR	0	-0.078	-0.043	2.359	-7.879	-14.370	1.811	7.176	-2.496	-0.009
286	A	287	GLY	0	0.042	0.018	2.290	-21.936	-22.624	8.066	-3.519	-3.860	0.023
287	A	288	LYS	1	0.757	0.876	1.676	-232.622	-252.469	50.691	-14.882	-15.962	0.141
288	A	289	SER	0	0.072	-0.033	1.960	-53.620	-79.049	49.715	-18.235	-6.051	-0.024
289	A	290	HIS	0	-0.088	-0.009	1.885	-11.771	-17.669	11.482	-2.494	-3.091	0.019
290	A	291	PHE	0	-0.022	-0.008	3.622	-20.757	-20.294	0.068	-0.098	-0.433	0.003
312	A	313	ALA	0	0.038	0.022	3.933	3.327	3.507	0.000	-0.029	-0.151	0.000
313	A	314	VAL	0	-0.011	-0.006	4.514	0.760	0.849	-0.001	-0.044	-0.044	0.000
315	A	316	ALA	0	-0.016	0.001	3.207	0.336	0.952	0.018	-0.159	-0.474	-0.002
316	A	317	LEU	0	-0.024	-0.020	4.014	6.321	6.889	0.000	-0.269	-0.299	-0.004
319	A	320	LYS	1	0.824	0.931	2.193	-153.186	-156.339	13.745	-5.189	-5.403	0.068
373	A	374	ASP	-1	-0.593	-0.739	1.617	0.263	3.974	27.249	-18.944	-12.016	-0.244
374	A	375	GLU	-1	-0.829	-0.884	1.586	30.627	13.100	43.133	-17.150	-8.455	-0.149
375	A	376	ILE	0	-0.006	-0.008	4.551	-0.266	-0.085	-0.001	-0.072	-0.108	-0.001
398	A	399	ILE	0	0.022	0.006	3.190	1.346	1.749	0.013	-0.119	-0.297	-0.001
399	A	400	GLY	0	0.030	0.007	3.589	-5.778	-5.584	0.006	-0.097	-0.104	0.000
400	A	401	ASP	-1	-0.723	-0.857	4.603	85.703	86.005	-0.001	-0.015	-0.287	0.000
403	A	404	GLN	0	-0.009	-0.019	1.846	-13.110	-16.559	9.722	-3.091	-3.182	0.039
441	A	442	ARG	1	0.874	0.930	3.595	-66.968	-66.754	0.005	-0.048	-0.171	0.000
442	A	443	ARG	1	0.766	0.859	1.700	-196.652	-213.753	43.790	-13.983	-12.706	0.104
443	A	444	CYS	0	-0.049	-0.024	4.284	-2.322	-2.170	0.001	-0.029	-0.124	0.000
536	A	537	GLN	0	0.038	0.016	4.487	8.284	8.508	-0.001	-0.043	-0.180	0.000
537	A	538	GLY	0	0.066	0.044	2.617	-12.313	-11.231	5.540	-4.257	-2.365	0.028
538	A	539	SER	0	-0.055	0.001	1.721	-8.150	-16.743	13.151	-0.822	-3.737	-0.054
539	A	540	GLU	-1	-0.787	-0.874	2.461	102.278	103.013	2.292	-1.306	-1.720	-0.017
566	A	567	ARG	1	0.796	0.871	1.735	-144.263	-158.402	27.085	-7.015	-5.931	0.082
592	A	593	PRO	-1	-0.945	-0.959	30.959	17.290	17.290	0.000	0.000	0.000	0.000
594	A	702	ZN1	0	-0.334	0.532	35.220	0.058	0.058	0.000	0.000	0.000	0.000
1	A	2	VAL	1	0.812	0.891	42.327	-13.373	-13.373	0.000	0.000	0.000	0.000
2	A	3	GLY	0	0.070	0.030	38.817	0.141	0.141	0.000	0.000	0.000	0.000
3	A	4	ALA	0	0.049	0.031	36.278	-0.316	-0.316	0.000	0.000	0.000	0.000
4	A	5	CYS	0	0.128	-0.034	36.400	0.377	0.377	0.000	0.000	0.000	0.000
5	A	6	VAL	0	-0.059	-0.146	32.429	0.242	0.242	0.000	0.000	0.000	0.000
6	A	7	LEU	0	0.045	-0.011	32.868	0.462	0.462	0.000	0.000	0.000	0.000
7	A	8	CYS	0	0.138	-0.026	35.223	0.260	0.260	0.000	0.000	0.000	0.000
8	A	9	ASN	0	-0.118	-0.129	34.707	0.309	0.309	0.000	0.000	0.000	0.000
9	A	10	SER	0	0.028	0.013	37.032	-0.182	-0.182	0.000	0.000	0.000	0.000
10	A	11	GLN	0	0.023	0.022	40.485	0.358	0.358	0.000	0.000	0.000	0.000
11	A	12	THR	0	-0.022	-0.023	42.000	-0.325	-0.325	0.000	0.000	0.000	0.000
12	A	13	SER	0	-0.064	-0.045	42.622	0.171	0.171	0.000	0.000	0.000	0.000
13	A	14	LEU	0	0.013	0.024	43.507	-0.098	-0.098	0.000	0.000	0.000	0.000
14	A	15	ARG	1	0.896	0.950	38.793	-13.490	-13.490	0.000	0.000	0.000	0.000
15	A	16	CYS	0	0.169	-0.004	39.226	-0.452	-0.452	0.000	0.000	0.000	0.000
16	A	17	GLY	0	-0.029	-0.153	39.076	0.295	0.295	0.000	0.000	0.000	0.000
17	A	18	ALA	0	0.023	-0.002	40.017	0.021	0.021	0.000	0.000	0.000	0.000
18	A	19	CYS	0	0.110	-0.039	36.103	0.200	0.200	0.000	0.000	0.000	0.000
19	A	20	ILE	0	-0.036	-0.097	30.463	-0.188	-0.188	0.000	0.000	0.000	0.000
20	A	21	ARG	1	0.770	0.868	29.029	-18.090	-18.090	0.000	0.000	0.000	0.000
21	A	22	ARG	1	0.855	0.949	32.983	-14.632	-14.632	0.000	0.000	0.000	0.000
22	A	23	PRO	0	0.041	0.046	33.562	-0.124	-0.124	0.000	0.000	0.000	0.000
23	A	24	PHE	0	-0.013	-0.029	35.386	-0.452	-0.452	0.000	0.000	0.000	0.000
24	A	25	LEU	0	0.022	0.004	36.840	0.315	0.315	0.000	0.000	0.000	0.000
25	A	26	CYS	0	0.049	-0.051	39.615	-0.286	-0.286	0.000	0.000	0.000	0.000
26	A	27	CYS	0	-0.027	-0.126	42.266	-0.068	-0.068	0.000	0.000	0.000	0.000
27	A	28	LYS	1	0.921	0.935	43.985	-12.799	-12.799	0.000	0.000	0.000	0.000
28	A	29	CYS	0	0.216	0.001	40.149	-0.156	-0.156	0.000	0.000	0.000	0.000
29	A	30	CYS	0	-0.082	-0.128	41.226	0.132	0.132	0.000	0.000	0.000	0.000
30	A	31	TYR	0	-0.001	0.010	42.878	-0.191	-0.191	0.000	0.000	0.000	0.000
31	A	32	ASP	-1	-0.821	-0.933	42.092	13.313	13.313	0.000	0.000	0.000	0.000
32	A	33	HIS	0	0.028	0.027	40.460	0.138	0.138	0.000	0.000	0.000	0.000
33	A	34	VAL	0	-0.046	-0.109	41.245	0.033	0.033	0.000	0.000	0.000	0.000
34	A	35	ILE	0	-0.041	-0.024	44.228	-0.178	-0.178	0.000	0.000	0.000	0.000
35	A	36	SER	0	-0.062	-0.032	41.659	-0.008	-0.008	0.000	0.000	0.000	0.000
36	A	37	THR	0	-0.018	-0.007	38.635	0.239	0.239	0.000	0.000	0.000	0.000
37	A	38	SER	0	0.022	-0.012	40.694	-0.281	-0.281	0.000	0.000	0.000	0.000
38	A	39	HIS	0	0.092	-0.021	40.892	-0.231	-0.231	0.000	0.000	0.000	0.000
39	A	40	LYS	1	0.903	0.871	42.093	-12.957	-12.957	0.000	0.000	0.000	0.000
40	A	41	LEU	0	0.011	0.029	43.158	-0.206	-0.206	0.000	0.000	0.000	0.000
41	A	42	VAL	0	0.038	0.012	43.606	0.304	0.304	0.000	0.000	0.000	0.000
42	A	43	LEU	0	-0.016	-0.012	41.111	-0.270	-0.270	0.000	0.000	0.000	0.000
43	A	44	SER	0	-0.006	-0.009	43.855	0.146	0.146	0.000	0.000	0.000	0.000
44	A	45	VAL	0	-0.022	-0.016	45.568	0.225	0.225	0.000	0.000	0.000	0.000
45	A	46	ASN	0	0.027	0.017	47.935	0.075	0.075	0.000	0.000	0.000	0.000
46	A	47	PRO	0	-0.012	-0.007	46.672	0.112	0.112	0.000	0.000	0.000	0.000
47	A	48	TYR	0	-0.087	-0.058	48.508	-0.244	-0.244	0.000	0.000	0.000	0.000
48	A	49	VAL	0	0.038	0.001	50.434	0.159	0.159	0.000	0.000	0.000	0.000
49	A	50	CYS	0	0.150	-0.005	52.983	-0.098	-0.098	0.000	0.000	0.000	0.000
50	A	51	ASN	0	-0.092	-0.142	56.681	0.112	0.112	0.000	0.000	0.000	0.000
51	A	52	ALA	0	0.031	0.013	58.798	-0.174	-0.174	0.000	0.000	0.000	0.000
52	A	53	PRO	0	-0.033	-0.019	60.339	0.131	0.131	0.000	0.000	0.000	0.000
53	A	54	GLY	0	0.021	-0.001	60.192	-0.105	-0.105	0.000	0.000	0.000	0.000
54	A	55	CYS	0	0.115	-0.011	58.639	-0.016	-0.016	0.000	0.000	0.000	0.000
55	A	56	ASP	-1	-0.904	-1.056	53.836	10.982	10.982	0.000	0.000	0.000	0.000
56	A	57	VAL	0	0.004	-0.006	52.857	0.250	0.250	0.000	0.000	0.000	0.000
57	A	58	THR	0	0.023	-0.007	48.704	0.045	0.045	0.000	0.000	0.000	0.000
58	A	59	ASP	-1	-0.811	-0.869	48.938	12.244	12.244	0.000	0.000	0.000	0.000
59	A	60	VAL	0	0.050	0.003	47.360	-0.260	-0.260	0.000	0.000	0.000	0.000
60	A	61	THR	0	-0.023	-0.040	49.047	-0.260	-0.260	0.000	0.000	0.000	0.000
61	A	62	GLN	0	-0.092	-0.063	51.752	-0.340	-0.340	0.000	0.000	0.000	0.000
62	A	63	LEU	0	-0.008	0.015	51.835	-0.226	-0.226	0.000	0.000	0.000	0.000
63	A	64	TYR	0	-0.005	-0.007	55.288	0.067	0.067	0.000	0.000	0.000	0.000
64	A	65	LEU	0	0.013	0.011	56.688	0.018	0.018	0.000	0.000	0.000	0.000
65	A	66	GLY	0	0.037	0.021	58.702	-0.151	-0.151	0.000	0.000	0.000	0.000
66	A	67	GLY	0	0.004	0.006	62.105	-0.029	-0.029	0.000	0.000	0.000	0.000
67	A	68	MET	0	-0.030	-0.023	57.075	0.120	0.120	0.000	0.000	0.000	0.000
68	A	69	SER	0	-0.012	0.003	58.225	0.106	0.106	0.000	0.000	0.000	0.000
69	A	70	TYR	0	-0.029	-0.020	53.417	-0.015	-0.015	0.000	0.000	0.000	0.000
70	A	71	TYR	0	0.059	0.003	57.500	-0.085	-0.085	0.000	0.000	0.000	0.000
71	A	72	CYS	0	0.041	-0.091	57.399	0.088	0.088	0.000	0.000	0.000	0.000
72	A	73	LYS	1	0.841	0.787	55.824	-10.818	-10.818	0.000	0.000	0.000	0.000
73	A	74	SER	0	0.025	-0.001	59.943	-0.115	-0.115	0.000	0.000	0.000	0.000
74	A	75	HIS	0	0.016	0.011	61.855	-0.177	-0.177	0.000	0.000	0.000	0.000
75	A	76	LYS	1	0.899	0.875	61.122	-9.842	-9.842	0.000	0.000	0.000	0.000
76	A	77	PRO	0	0.016	0.003	63.475	-0.119	-0.119	0.000	0.000	0.000	0.000
77	A	78	PRO	0	0.002	-0.007	65.542	0.103	0.103	0.000	0.000	0.000	0.000
78	A	79	ILE	0	-0.015	0.002	66.496	0.066	0.066	0.000	0.000	0.000	0.000
79	A	80	SER	0	-0.006	-0.020	61.608	0.070	0.070	0.000	0.000	0.000	0.000
80	A	81	PHE	0	-0.008	-0.004	59.358	0.017	0.017	0.000	0.000	0.000	0.000
81	A	82	PRO	0	0.017	0.003	55.640	0.048	0.048	0.000	0.000	0.000	0.000
82	A	83	LEU	0	-0.014	0.002	52.115	0.038	0.038	0.000	0.000	0.000	0.000
83	A	84	CYS	0	-0.044	-0.013	49.721	0.254	0.254	0.000	0.000	0.000	0.000
84	A	85	ALA	0	0.024	0.017	51.695	-0.133	-0.133	0.000	0.000	0.000	0.000
85	A	86	ASN	0	-0.004	-0.007	52.337	0.100	0.100	0.000	0.000	0.000	0.000
86	A	87	GLY	0	0.071	0.058	48.908	0.031	0.031	0.000	0.000	0.000	0.000
87	A	88	GLN	0	-0.092	-0.056	47.984	0.053	0.053	0.000	0.000	0.000	0.000
88	A	89	VAL	0	0.021	0.005	46.513	-0.143	-0.143	0.000	0.000	0.000	0.000
89	A	90	PHE	0	0.039	0.006	49.139	0.004	0.004	0.000	0.000	0.000	0.000
90	A	91	GLY	0	0.096	0.041	48.764	0.149	0.149	0.000	0.000	0.000	0.000
91	A	92	LEU	0	-0.049	-0.026	47.879	-0.156	-0.156	0.000	0.000	0.000	0.000
92	A	93	TYR	0	0.022	-0.005	46.061	0.268	0.268	0.000	0.000	0.000	0.000
93	A	94	LYS	1	0.932	0.973	47.549	-10.908	-10.908	0.000	0.000	0.000	0.000
94	A	95	ASN	0	0.010	0.008	49.607	0.124	0.124	0.000	0.000	0.000	0.000
95	A	96	THR	0	-0.036	-0.011	44.895	-0.024	-0.024	0.000	0.000	0.000	0.000
96	A	97	CYS	0	-0.083	0.005	43.775	0.339	0.339	0.000	0.000	0.000	0.000
97	A	98	VAL	0	0.052	0.036	41.534	-0.270	-0.270	0.000	0.000	0.000	0.000
98	A	99	GLY	0	0.059	-0.009	41.940	-0.292	-0.292	0.000	0.000	0.000	0.000
99	A	100	SER	0	0.005	-0.002	35.900	0.020	0.020	0.000	0.000	0.000	0.000
100	A	101	ASP	-1	-0.811	-0.891	36.795	15.648	15.648	0.000	0.000	0.000	0.000
101	A	102	ASN	0	-0.073	-0.042	32.910	0.336	0.336	0.000	0.000	0.000	0.000
102	A	103	VAL	0	0.004	-0.012	34.596	0.362	0.362	0.000	0.000	0.000	0.000
103	A	104	THR	0	0.001	-0.006	35.799	-0.041	-0.041	0.000	0.000	0.000	0.000
104	A	105	ASP	-1	-0.863	-0.932	30.961	18.169	18.169	0.000	0.000	0.000	0.000
105	A	106	PHE	0	0.021	-0.004	32.101	0.302	0.302	0.000	0.000	0.000	0.000
106	A	107	ASN	0	0.048	0.020	33.547	0.093	0.093	0.000	0.000	0.000	0.000
107	A	108	ALA	0	0.024	0.037	32.279	-0.046	-0.046	0.000	0.000	0.000	0.000
108	A	109	ILE	0	0.003	-0.009	28.252	0.223	0.223	0.000	0.000	0.000	0.000
109	A	110	ALA	0	-0.021	-0.022	30.651	0.161	0.161	0.000	0.000	0.000	0.000
110	A	111	THR	0	-0.114	-0.084	33.380	-0.420	-0.420	0.000	0.000	0.000	0.000
111	A	112	CYS	0	-0.014	0.022	29.655	-0.050	-0.050	0.000	0.000	0.000	0.000
112	A	113	ASP	-1	-0.831	-0.892	30.915	18.581	18.581	0.000	0.000	0.000	0.000
113	A	114	TRP	0	0.011	-0.002	24.683	0.801	0.801	0.000	0.000	0.000	0.000
114	A	115	THR	0	-0.013	-0.008	25.980	0.805	0.805	0.000	0.000	0.000	0.000
115	A	116	ASN	0	-0.034	-0.031	27.315	0.242	0.242	0.000	0.000	0.000	0.000
116	A	117	ALA	0	0.023	0.015	23.327	0.220	0.220	0.000	0.000	0.000	0.000
117	A	118	GLY	0	0.020	-0.002	24.162	0.448	0.448	0.000	0.000	0.000	0.000
118	A	119	ASP	-1	-0.803	-0.897	26.277	19.917	19.917	0.000	0.000	0.000	0.000
119	A	120	TYR	0	-0.040	-0.067	21.011	0.505	0.505	0.000	0.000	0.000	0.000
120	A	121	ILE	0	-0.019	0.001	22.175	0.632	0.632	0.000	0.000	0.000	0.000
121	A	122	LEU	0	0.034	0.040	23.583	0.231	0.231	0.000	0.000	0.000	0.000
122	A	123	ALA	0	0.016	0.007	23.149	-0.166	-0.166	0.000	0.000	0.000	0.000
123	A	124	ASN	0	-0.042	-0.034	18.163	0.456	0.456	0.000	0.000	0.000	0.000
124	A	125	THR	0	-0.049	-0.024	21.921	0.495	0.495	0.000	0.000	0.000	0.000
125	A	126	CYS	0	-0.043	0.008	24.733	-0.491	-0.491	0.000	0.000	0.000	0.000
126	A	127	THR	0	0.068	0.021	25.706	0.725	0.725	0.000	0.000	0.000	0.000
127	A	128	GLU	-1	-0.730	-0.833	21.797	23.914	23.914	0.000	0.000	0.000	0.000
128	A	129	ARG	1	0.959	0.973	25.341	-17.555	-17.555	0.000	0.000	0.000	0.000
129	A	130	LEU	0	0.041	0.021	28.034	-0.105	-0.105	0.000	0.000	0.000	0.000
130	A	131	LYS	1	0.867	0.939	20.855	-23.799	-23.799	0.000	0.000	0.000	0.000
131	A	132	LEU	0	-0.032	-0.004	22.377	0.427	0.427	0.000	0.000	0.000	0.000
132	A	133	PHE	0	0.045	0.016	24.629	0.001	0.001	0.000	0.000	0.000	0.000
133	A	134	ALA	0	0.048	0.025	24.788	-0.213	-0.213	0.000	0.000	0.000	0.000
134	A	135	ALA	0	-0.009	0.000	21.515	0.207	0.207	0.000	0.000	0.000	0.000
135	A	136	GLU	-1	-0.808	-0.893	23.180	18.847	18.847	0.000	0.000	0.000	0.000
136	A	137	THR	0	-0.006	-0.017	25.974	-0.412	-0.412	0.000	0.000	0.000	0.000
137	A	138	LEU	0	0.023	0.043	20.989	-0.269	-0.269	0.000	0.000	0.000	0.000
138	A	139	LYS	1	0.896	0.955	20.933	-22.974	-22.974	0.000	0.000	0.000	0.000
139	A	140	ALA	0	-0.003	-0.012	23.997	-0.237	-0.237	0.000	0.000	0.000	0.000
140	A	141	THR	0	0.009	0.009	27.162	-0.706	-0.706	0.000	0.000	0.000	0.000
141	A	142	GLU	-1	-0.838	-0.917	21.206	24.197	24.197	0.000	0.000	0.000	0.000
142	A	143	GLU	-1	-0.811	-0.892	23.468	21.352	21.352	0.000	0.000	0.000	0.000
143	A	144	THR	0	-0.021	-0.023	26.746	-0.569	-0.569	0.000	0.000	0.000	0.000
144	A	145	PHE	0	0.020	0.013	27.641	-0.439	-0.439	0.000	0.000	0.000	0.000
145	A	146	LYS	1	0.796	0.894	23.307	-21.616	-21.616	0.000	0.000	0.000	0.000
146	A	147	LEU	0	-0.024	-0.014	28.821	-0.253	-0.253	0.000	0.000	0.000	0.000
147	A	148	SER	0	-0.061	-0.029	31.242	-0.522	-0.522	0.000	0.000	0.000	0.000
148	A	149	TYR	0	-0.010	-0.011	27.468	-0.272	-0.272	0.000	0.000	0.000	0.000
149	A	150	GLY	0	-0.019	-0.005	32.831	-0.272	-0.272	0.000	0.000	0.000	0.000
150	A	151	ILE	0	-0.050	-0.036	33.947	0.466	0.466	0.000	0.000	0.000	0.000
151	A	152	ALA	0	0.007	0.014	33.616	-0.264	-0.264	0.000	0.000	0.000	0.000
152	A	153	THR	0	-0.013	-0.025	35.529	-0.073	-0.073	0.000	0.000	0.000	0.000
153	A	154	VAL	0	-0.003	-0.002	36.565	0.147	0.147	0.000	0.000	0.000	0.000
154	A	155	ARG	1	0.869	0.919	38.666	-14.446	-14.446	0.000	0.000	0.000	0.000
155	A	156	GLU	-1	-0.847	-0.923	40.276	13.599	13.599	0.000	0.000	0.000	0.000
156	A	157	VAL	0	-0.027	-0.015	37.871	0.432	0.432	0.000	0.000	0.000	0.000
157	A	158	LEU	0	-0.019	0.007	37.547	-0.272	-0.272	0.000	0.000	0.000	0.000
158	A	159	SER	0	0.003	-0.032	36.213	-0.151	-0.151	0.000	0.000	0.000	0.000
159	A	160	ASP	-1	-0.934	-0.949	33.340	17.405	17.405	0.000	0.000	0.000	0.000
160	A	161	ARG	1	0.878	0.912	29.400	-18.045	-18.045	0.000	0.000	0.000	0.000
161	A	162	GLU	-1	-0.843	-0.883	31.799	17.190	17.190	0.000	0.000	0.000	0.000
162	A	163	LEU	0	-0.034	-0.030	33.373	-0.430	-0.430	0.000	0.000	0.000	0.000
163	A	164	HIS	0	0.064	0.041	36.024	0.369	0.369	0.000	0.000	0.000	0.000
164	A	165	LEU	0	-0.011	-0.004	32.553	-0.158	-0.158	0.000	0.000	0.000	0.000
165	A	166	SER	0	-0.026	-0.008	37.224	-0.178	-0.178	0.000	0.000	0.000	0.000
166	A	167	TRP	0	0.007	-0.016	31.386	0.369	0.369	0.000	0.000	0.000	0.000
167	A	168	GLU	-1	-0.795	-0.867	37.830	14.676	14.676	0.000	0.000	0.000	0.000
168	A	169	VAL	0	0.010	-0.003	39.268	0.210	0.210	0.000	0.000	0.000	0.000
169	A	170	GLY	0	-0.003	-0.004	41.644	-0.046	-0.046	0.000	0.000	0.000	0.000
170	A	171	LYS	1	0.858	0.936	36.247	-15.243	-15.243	0.000	0.000	0.000	0.000
171	A	172	PRO	0	0.006	0.016	33.258	-0.073	-0.073	0.000	0.000	0.000	0.000
172	A	173	ARG	1	0.969	0.975	32.845	-15.966	-15.966	0.000	0.000	0.000	0.000
173	A	174	PRO	0	0.007	0.017	27.536	0.233	0.233	0.000	0.000	0.000	0.000
174	A	175	PRO	0	-0.012	-0.013	24.851	-0.254	-0.254	0.000	0.000	0.000	0.000
175	A	176	LEU	0	-0.027	-0.005	25.800	0.361	0.361	0.000	0.000	0.000	0.000
176	A	177	ASN	0	0.046	0.001	21.187	1.051	1.051	0.000	0.000	0.000	0.000
177	A	178	ARG	1	0.873	0.922	18.478	-27.059	-27.059	0.000	0.000	0.000	0.000
178	A	179	ASN	0	-0.050	-0.012	16.815	1.253	1.253	0.000	0.000	0.000	0.000
179	A	180	TYR	0	0.003	0.008	19.095	0.097	0.097	0.000	0.000	0.000	0.000
180	A	181	VAL	0	-0.027	-0.015	20.345	-0.400	-0.400	0.000	0.000	0.000	0.000
181	A	182	PHE	0	-0.003	0.001	23.256	-0.462	-0.462	0.000	0.000	0.000	0.000
182	A	183	THR	0	-0.013	-0.008	26.958	0.104	0.104	0.000	0.000	0.000	0.000
183	A	184	GLY	0	0.017	0.001	28.946	-0.370	-0.370	0.000	0.000	0.000	0.000
184	A	185	TYR	0	-0.016	-0.022	31.382	-0.046	-0.046	0.000	0.000	0.000	0.000
185	A	186	ARG	1	0.946	0.993	35.222	-14.206	-14.206	0.000	0.000	0.000	0.000
186	A	187	VAL	0	0.036	0.018	38.498	-0.023	-0.023	0.000	0.000	0.000	0.000
187	A	188	THR	0	-0.085	-0.072	41.182	-0.135	-0.135	0.000	0.000	0.000	0.000
188	A	189	LYS	1	0.973	0.979	43.919	-11.192	-11.192	0.000	0.000	0.000	0.000
189	A	190	ASN	0	0.045	0.021	46.207	-0.176	-0.176	0.000	0.000	0.000	0.000
190	A	191	SER	0	0.027	0.019	41.117	0.170	0.170	0.000	0.000	0.000	0.000
191	A	192	LYS	1	0.952	1.003	35.974	-15.012	-15.012	0.000	0.000	0.000	0.000
192	A	193	VAL	0	-0.012	-0.003	36.152	0.058	0.058	0.000	0.000	0.000	0.000
193	A	194	GLN	0	-0.008	0.004	27.766	-0.250	-0.250	0.000	0.000	0.000	0.000
194	A	195	ILE	0	-0.054	-0.017	32.306	-0.088	-0.088	0.000	0.000	0.000	0.000
195	A	196	GLY	0	-0.013	-0.023	28.788	0.182	0.182	0.000	0.000	0.000	0.000
196	A	197	GLU	-1	-0.811	-0.886	23.562	20.321	20.321	0.000	0.000	0.000	0.000
197	A	198	TYR	0	0.008	-0.014	26.190	0.009	0.009	0.000	0.000	0.000	0.000
198	A	199	THR	0	-0.021	-0.001	21.729	0.703	0.703	0.000	0.000	0.000	0.000
199	A	200	PHE	0	0.000	-0.010	25.169	-0.320	-0.320	0.000	0.000	0.000	0.000
200	A	201	GLU	-1	-0.843	-0.916	22.685	25.475	25.475	0.000	0.000	0.000	0.000
201	A	202	LYS	1	0.859	0.923	27.365	-18.645	-18.645	0.000	0.000	0.000	0.000
202	A	203	GLY	0	0.038	0.022	29.393	0.535	0.535	0.000	0.000	0.000	0.000
203	A	204	ASP	-1	-0.840	-0.882	29.764	19.645	19.645	0.000	0.000	0.000	0.000
204	A	205	TYR	0	0.021	-0.012	31.396	-0.061	-0.061	0.000	0.000	0.000	0.000
205	A	206	GLY	0	0.025	0.012	34.590	-0.561	-0.561	0.000	0.000	0.000	0.000
206	A	207	ASP	-1	-0.866	-0.918	34.604	17.683	17.683	0.000	0.000	0.000	0.000
207	A	208	ALA	0	-0.023	-0.009	36.008	-0.248	-0.248	0.000	0.000	0.000	0.000
208	A	209	VAL	0	-0.059	-0.018	31.408	0.446	0.446	0.000	0.000	0.000	0.000
209	A	210	VAL	0	0.064	0.034	28.473	-0.346	-0.346	0.000	0.000	0.000	0.000
210	A	211	TYR	0	-0.046	-0.026	28.459	0.473	0.473	0.000	0.000	0.000	0.000
211	A	212	ARG	1	0.847	0.908	23.376	-22.336	-22.336	0.000	0.000	0.000	0.000
212	A	213	GLY	0	0.051	0.022	26.074	0.262	0.262	0.000	0.000	0.000	0.000
213	A	214	THR	0	-0.088	-0.060	24.717	0.690	0.690	0.000	0.000	0.000	0.000
214	A	215	THR	0	0.010	0.017	26.277	-0.063	-0.063	0.000	0.000	0.000	0.000
215	A	216	THR	0	0.028	0.011	29.745	0.087	0.087	0.000	0.000	0.000	0.000
216	A	217	TYR	0	-0.064	-0.037	32.390	-0.524	-0.524	0.000	0.000	0.000	0.000
217	A	218	LYS	1	0.886	0.939	34.790	-16.045	-16.045	0.000	0.000	0.000	0.000
218	A	219	LEU	0	0.002	0.001	33.979	-0.345	-0.345	0.000	0.000	0.000	0.000
219	A	220	ASN	0	0.018	0.014	37.530	0.033	0.033	0.000	0.000	0.000	0.000
220	A	221	VAL	0	0.025	0.001	40.126	0.241	0.241	0.000	0.000	0.000	0.000
221	A	222	GLY	0	0.003	0.013	41.504	-0.295	-0.295	0.000	0.000	0.000	0.000
222	A	223	ASP	-1	-0.777	-0.883	37.145	14.747	14.747	0.000	0.000	0.000	0.000
223	A	224	TYR	0	-0.030	-0.024	35.680	0.086	0.086	0.000	0.000	0.000	0.000
224	A	225	PHE	0	-0.010	-0.005	31.072	0.305	0.305	0.000	0.000	0.000	0.000
225	A	226	VAL	0	0.023	0.018	30.873	-0.318	-0.318	0.000	0.000	0.000	0.000
226	A	227	LEU	0	0.017	0.014	25.395	0.381	0.381	0.000	0.000	0.000	0.000
227	A	228	THR	0	-0.017	-0.024	24.159	-0.599	-0.599	0.000	0.000	0.000	0.000
228	A	229	SER	0	-0.065	-0.034	24.958	0.419	0.419	0.000	0.000	0.000	0.000
229	A	230	HIS	0	-0.019	-0.023	21.184	0.186	0.186	0.000	0.000	0.000	0.000
230	A	231	THR	0	0.012	-0.003	25.051	0.018	0.018	0.000	0.000	0.000	0.000
231	A	232	VAL	0	-0.017	0.009	25.053	0.616	0.616	0.000	0.000	0.000	0.000
232	A	233	MET	0	0.007	-0.001	24.696	-0.909	-0.909	0.000	0.000	0.000	0.000
233	A	234	PRO	0	-0.021	-0.006	26.237	0.278	0.278	0.000	0.000	0.000	0.000
234	A	235	LEU	0	-0.034	-0.014	22.227	0.312	0.312	0.000	0.000	0.000	0.000
235	A	236	SER	0	-0.048	-0.025	25.261	-0.257	-0.257	0.000	0.000	0.000	0.000
236	A	237	ALA	0	0.027	0.022	22.234	-0.220	-0.220	0.000	0.000	0.000	0.000
237	A	238	PRO	0	0.016	0.023	21.779	0.161	0.161	0.000	0.000	0.000	0.000
238	A	239	THR	0	-0.058	-0.046	17.844	0.994	0.994	0.000	0.000	0.000	0.000
239	A	240	LEU	0	-0.003	-0.005	14.966	1.369	1.369	0.000	0.000	0.000	0.000
240	A	241	VAL	0	0.003	0.011	18.755	-1.150	-1.150	0.000	0.000	0.000	0.000
241	A	242	PRO	0	0.021	-0.007	20.850	0.575	0.575	0.000	0.000	0.000	0.000
242	A	243	GLN	0	0.018	0.008	17.745	-0.114	-0.114	0.000	0.000	0.000	0.000
243	A	244	GLU	-1	-0.794	-0.843	22.086	21.227	21.227	0.000	0.000	0.000	0.000
244	A	245	HIS	0	0.023	0.005	20.834	1.131	1.131	0.000	0.000	0.000	0.000
245	A	246	TYR	0	-0.084	-0.069	21.571	-0.667	-0.667	0.000	0.000	0.000	0.000
246	A	247	VAL	0	0.021	0.010	25.255	0.447	0.447	0.000	0.000	0.000	0.000
247	A	248	ARG	1	0.950	0.964	26.154	-19.413	-19.413	0.000	0.000	0.000	0.000
248	A	249	ILE	0	0.039	0.029	21.342	0.064	0.064	0.000	0.000	0.000	0.000
249	A	250	THR	0	-0.001	0.009	23.120	-1.190	-1.190	0.000	0.000	0.000	0.000
250	A	251	GLY	0	-0.050	-0.025	23.008	0.749	0.749	0.000	0.000	0.000	0.000
251	A	252	LEU	0	0.011	0.006	18.829	0.340	0.340	0.000	0.000	0.000	0.000
252	A	253	TYR	0	0.020	0.003	22.763	-0.673	-0.673	0.000	0.000	0.000	0.000
253	A	254	PRO	0	0.000	-0.004	20.330	0.671	0.671	0.000	0.000	0.000	0.000
254	A	255	THR	0	-0.020	-0.003	17.835	-1.725	-1.725	0.000	0.000	0.000	0.000
255	A	256	LEU	0	-0.013	-0.007	20.910	0.037	0.037	0.000	0.000	0.000	0.000
256	A	257	ASN	0	-0.008	0.000	21.030	0.033	0.033	0.000	0.000	0.000	0.000
257	A	258	ILE	0	-0.031	-0.011	13.799	0.479	0.479	0.000	0.000	0.000	0.000
258	A	259	SER	0	0.052	0.031	13.440	-0.321	-0.321	0.000	0.000	0.000	0.000
259	A	260	ASP	-1	-0.815	-0.905	14.086	35.155	35.155	0.000	0.000	0.000	0.000
260	A	261	GLU	-1	-0.782	-0.869	8.903	54.922	54.922	0.000	0.000	0.000	0.000
261	A	262	PHE	0	-0.024	-0.008	7.080	4.474	4.474	0.000	0.000	0.000	0.000
262	A	263	SER	0	0.027	0.002	10.965	-1.622	-1.622	0.000	0.000	0.000	0.000
263	A	264	SER	0	-0.029	-0.011	10.761	-1.586	-1.586	0.000	0.000	0.000	0.000
264	A	265	ASN	0	0.006	0.003	7.733	0.299	0.299	0.000	0.000	0.000	0.000
265	A	266	VAL	0	0.030	0.024	12.147	-1.115	-1.115	0.000	0.000	0.000	0.000
266	A	267	ALA	0	0.005	0.004	15.534	-1.493	-1.493	0.000	0.000	0.000	0.000
267	A	268	ASN	0	0.020	0.000	11.618	-3.551	-3.551	0.000	0.000	0.000	0.000
268	A	269	TYR	0	0.003	-0.014	8.916	-1.246	-1.246	0.000	0.000	0.000	0.000
269	A	270	GLN	0	0.004	0.019	15.048	-2.561	-2.561	0.000	0.000	0.000	0.000
270	A	271	LYS	1	0.907	0.956	16.456	-32.752	-32.752	0.000	0.000	0.000	0.000
271	A	272	VAL	0	0.019	0.007	12.736	-0.924	-0.924	0.000	0.000	0.000	0.000
272	A	273	GLY	0	0.010	0.006	15.871	-1.159	-1.159	0.000	0.000	0.000	0.000
273	A	274	MET	0	-0.062	-0.042	19.206	-1.488	-1.488	0.000	0.000	0.000	0.000
274	A	275	GLN	0	-0.019	-0.006	17.516	-0.977	-0.977	0.000	0.000	0.000	0.000
275	A	276	LYS	1	0.839	0.933	18.891	-22.148	-22.148	0.000	0.000	0.000	0.000
276	A	277	TYR	0	0.021	0.000	15.051	0.390	0.390	0.000	0.000	0.000	0.000
277	A	278	SER	0	-0.016	-0.002	13.205	-0.766	-0.766	0.000	0.000	0.000	0.000
278	A	279	THR	0	-0.015	-0.021	10.682	1.768	1.768	0.000	0.000	0.000	0.000
279	A	280	LEU	0	-0.009	-0.003	6.593	-0.430	-0.430	0.000	0.000	0.000	0.000
280	A	281	GLN	0	0.048	0.013	7.134	-0.870	-0.870	0.000	0.000	0.000	0.000
291	A	292	ALA	0	0.028	0.012	5.912	-9.986	-9.986	0.000	0.000	0.000	0.000
292	A	293	ILE	0	-0.005	0.015	6.635	-7.432	-7.432	0.000	0.000	0.000	0.000
293	A	294	GLY	0	0.075	0.028	7.923	-5.332	-5.332	0.000	0.000	0.000	0.000
294	A	295	LEU	0	-0.037	-0.011	9.928	-4.760	-4.760	0.000	0.000	0.000	0.000
295	A	296	ALA	0	-0.003	-0.007	11.908	-3.375	-3.375	0.000	0.000	0.000	0.000
296	A	297	LEU	0	-0.033	-0.009	11.862	-2.540	-2.540	0.000	0.000	0.000	0.000
297	A	298	TYR	0	-0.002	-0.007	14.170	-2.086	-2.086	0.000	0.000	0.000	0.000
298	A	299	TYR	0	-0.018	-0.035	16.002	-2.743	-2.743	0.000	0.000	0.000	0.000
299	A	300	PRO	0	0.049	0.029	18.180	-0.146	-0.146	0.000	0.000	0.000	0.000
300	A	301	SER	0	-0.019	-0.006	19.354	-0.254	-0.254	0.000	0.000	0.000	0.000
301	A	302	ALA	0	-0.037	0.001	18.486	-0.837	-0.837	0.000	0.000	0.000	0.000
302	A	303	ARG	1	0.822	0.908	18.786	-24.285	-24.285	0.000	0.000	0.000	0.000
303	A	304	ILE	0	-0.011	-0.002	12.450	-0.183	-0.183	0.000	0.000	0.000	0.000
304	A	305	VAL	0	-0.024	-0.009	13.497	-0.235	-0.235	0.000	0.000	0.000	0.000
305	A	306	TYR	0	-0.007	-0.019	8.258	0.164	0.164	0.000	0.000	0.000	0.000
306	A	307	THR	0	-0.036	-0.044	9.063	-1.613	-1.613	0.000	0.000	0.000	0.000
307	A	308	ALA	0	0.075	0.035	5.802	1.593	1.593	0.000	0.000	0.000	0.000
308	A	309	CYS	0	0.001	0.007	7.872	-1.456	-1.456	0.000	0.000	0.000	0.000
309	A	310	SER	0	-0.020	-0.014	7.237	-1.251	-1.251	0.000	0.000	0.000	0.000
310	A	311	HIS	0	0.061	0.022	8.414	1.615	1.615	0.000	0.000	0.000	0.000
311	A	312	ALA	0	0.024	0.026	8.277	0.183	0.183	0.000	0.000	0.000	0.000
314	A	315	ASP	-1	-0.722	-0.849	7.183	38.433	38.433	0.000	0.000	0.000	0.000
317	A	318	CYS	0	-0.054	-0.018	6.219	-1.223	-1.223	0.000	0.000	0.000	0.000
318	A	319	GLU	-1	-0.783	-0.888	7.490	41.124	41.124	0.000	0.000	0.000	0.000
320	A	321	ALA	0	0.016	-0.002	7.862	-2.999	-2.999	0.000	0.000	0.000	0.000
321	A	322	LEU	0	-0.040	-0.015	10.770	-3.032	-3.032	0.000	0.000	0.000	0.000
322	A	323	LYS	1	0.781	0.907	9.255	-52.907	-52.907	0.000	0.000	0.000	0.000
323	A	324	TYR	0	-0.082	-0.076	7.056	-0.132	-0.132	0.000	0.000	0.000	0.000
324	A	325	LEU	0	-0.002	0.000	12.140	-1.523	-1.523	0.000	0.000	0.000	0.000
325	A	326	PRO	0	-0.008	0.000	14.563	-0.473	-0.473	0.000	0.000	0.000	0.000
326	A	327	ILE	0	0.073	0.042	17.658	0.041	0.041	0.000	0.000	0.000	0.000
327	A	328	ASP	-1	-0.907	-0.960	18.675	25.393	25.393	0.000	0.000	0.000	0.000
328	A	329	LYS	1	0.886	0.937	19.393	-28.215	-28.215	0.000	0.000	0.000	0.000
329	A	330	CYS	0	-0.033	-0.001	15.404	1.272	1.272	0.000	0.000	0.000	0.000
330	A	331	SER	0	-0.055	-0.047	16.200	-1.567	-1.567	0.000	0.000	0.000	0.000
331	A	332	ARG	1	0.839	0.898	11.401	-32.679	-32.679	0.000	0.000	0.000	0.000
332	A	333	ILE	0	-0.016	-0.012	14.871	-1.601	-1.601	0.000	0.000	0.000	0.000
333	A	334	ILE	0	0.044	0.009	15.393	1.170	1.170	0.000	0.000	0.000	0.000
334	A	335	PRO	0	0.003	0.005	17.202	-1.086	-1.086	0.000	0.000	0.000	0.000
335	A	336	ALA	0	0.022	0.004	20.413	-0.176	-0.176	0.000	0.000	0.000	0.000
336	A	337	ARG	1	0.933	0.960	24.050	-18.637	-18.637	0.000	0.000	0.000	0.000
337	A	338	ALA	0	0.044	0.032	20.462	-0.322	-0.322	0.000	0.000	0.000	0.000
338	A	339	ARG	1	0.878	0.949	21.239	-22.622	-22.622	0.000	0.000	0.000	0.000
339	A	340	VAL	0	-0.040	-0.016	16.206	0.162	0.162	0.000	0.000	0.000	0.000
340	A	341	GLU	-1	-0.750	-0.850	17.636	25.842	25.842	0.000	0.000	0.000	0.000
341	A	342	CYS	0	-0.092	-0.041	13.202	1.118	1.118	0.000	0.000	0.000	0.000
342	A	343	PHE	0	0.001	-0.013	11.563	-1.441	-1.441	0.000	0.000	0.000	0.000
343	A	344	ASP	-1	-0.899	-0.952	14.173	27.974	27.974	0.000	0.000	0.000	0.000
344	A	345	LYS	1	0.840	0.906	12.938	-38.857	-38.857	0.000	0.000	0.000	0.000
345	A	346	PHE	0	-0.025	-0.005	12.315	-0.312	-0.312	0.000	0.000	0.000	0.000
346	A	347	LYS	1	0.839	0.914	17.711	-25.954	-25.954	0.000	0.000	0.000	0.000
347	A	348	VAL	0	0.050	0.032	18.733	0.734	0.734	0.000	0.000	0.000	0.000
348	A	349	ASN	0	-0.065	-0.039	19.240	-0.206	-0.206	0.000	0.000	0.000	0.000
349	A	350	SER	0	-0.011	-0.010	20.368	-1.300	-1.300	0.000	0.000	0.000	0.000
350	A	351	THR	0	0.016	-0.021	20.072	0.962	0.962	0.000	0.000	0.000	0.000
351	A	352	LEU	0	-0.043	-0.026	20.683	0.544	0.544	0.000	0.000	0.000	0.000
352	A	353	GLU	-1	-0.747	-0.823	19.120	24.170	24.170	0.000	0.000	0.000	0.000
353	A	354	GLN	0	-0.012	-0.010	18.630	-0.533	-0.533	0.000	0.000	0.000	0.000
354	A	355	TYR	0	0.031	0.001	14.233	0.884	0.884	0.000	0.000	0.000	0.000
355	A	356	VAL	0	-0.016	0.002	14.864	-0.541	-0.541	0.000	0.000	0.000	0.000
356	A	357	PHE	0	0.049	0.020	9.062	1.124	1.124	0.000	0.000	0.000	0.000
357	A	358	CYS	0	-0.012	0.000	11.299	-1.839	-1.839	0.000	0.000	0.000	0.000
358	A	359	THR	0	0.062	0.050	10.752	1.064	1.064	0.000	0.000	0.000	0.000
359	A	360	VAL	0	0.046	0.026	11.258	-1.537	-1.537	0.000	0.000	0.000	0.000
360	A	361	ASN	0	-0.018	-0.026	13.697	-0.628	-0.628	0.000	0.000	0.000	0.000
361	A	362	ALA	0	-0.033	-0.011	15.766	-1.119	-1.119	0.000	0.000	0.000	0.000
362	A	363	LEU	0	0.005	0.016	13.859	-0.432	-0.432	0.000	0.000	0.000	0.000
363	A	364	PRO	0	0.003	-0.003	17.336	-1.167	-1.167	0.000	0.000	0.000	0.000
364	A	365	GLU	-1	-0.871	-0.910	19.931	20.772	20.772	0.000	0.000	0.000	0.000
365	A	366	THR	0	-0.039	-0.024	19.534	-0.306	-0.306	0.000	0.000	0.000	0.000
366	A	367	THR	0	0.028	0.018	21.696	-0.094	-0.094	0.000	0.000	0.000	0.000
367	A	368	ALA	0	-0.036	-0.010	17.542	0.173	0.173	0.000	0.000	0.000	0.000
368	A	369	ASP	-1	-0.783	-0.867	19.130	24.175	24.175	0.000	0.000	0.000	0.000
369	A	370	ILE	0	-0.031	-0.034	13.178	0.109	0.109	0.000	0.000	0.000	0.000
370	A	371	VAL	0	0.004	0.014	12.427	-0.117	-0.117	0.000	0.000	0.000	0.000
371	A	372	VAL	0	-0.014	-0.009	7.073	1.077	1.077	0.000	0.000	0.000	0.000
372	A	373	PHE	0	0.031	0.009	7.557	-0.991	-0.991	0.000	0.000	0.000	0.000
376	A	377	SER	0	-0.002	-0.007	7.029	-1.571	-1.571	0.000	0.000	0.000	0.000
377	A	378	MET	0	-0.025	-0.017	8.018	-2.282	-2.282	0.000	0.000	0.000	0.000
378	A	379	ALA	0	-0.020	-0.001	9.891	-2.445	-2.445	0.000	0.000	0.000	0.000
379	A	380	THR	0	-0.034	-0.040	11.943	-0.604	-0.604	0.000	0.000	0.000	0.000
380	A	381	ASN	0	0.064	-0.009	15.682	1.192	1.192	0.000	0.000	0.000	0.000
381	A	382	TYR	0	0.053	0.025	18.106	-0.937	-0.937	0.000	0.000	0.000	0.000
382	A	383	ASP	-1	-0.832	-0.896	13.899	29.307	29.307	0.000	0.000	0.000	0.000
383	A	384	LEU	0	-0.012	-0.004	12.513	-0.086	-0.086	0.000	0.000	0.000	0.000
384	A	385	SER	0	-0.018	-0.007	15.785	-0.552	-0.552	0.000	0.000	0.000	0.000
385	A	386	VAL	0	-0.010	-0.016	17.690	-0.668	-0.668	0.000	0.000	0.000	0.000
386	A	387	VAL	0	-0.002	-0.006	13.247	-0.344	-0.344	0.000	0.000	0.000	0.000
387	A	388	ASN	0	-0.028	-0.022	16.631	-0.019	-0.019	0.000	0.000	0.000	0.000
388	A	389	ALA	0	-0.028	-0.001	19.075	-0.796	-0.796	0.000	0.000	0.000	0.000
389	A	390	ARG	1	0.796	0.899	19.233	-23.149	-23.149	0.000	0.000	0.000	0.000
390	A	391	LEU	0	0.003	0.007	14.905	-0.265	-0.265	0.000	0.000	0.000	0.000
391	A	392	ARG	1	0.856	0.929	19.084	-21.133	-21.133	0.000	0.000	0.000	0.000
392	A	393	ALA	0	0.021	-0.005	17.806	-0.151	-0.151	0.000	0.000	0.000	0.000
393	A	394	LYS	1	0.783	0.890	19.856	-23.724	-23.724	0.000	0.000	0.000	0.000
394	A	395	HIS	1	0.832	0.922	16.261	-27.862	-27.862	0.000	0.000	0.000	0.000
395	A	396	TYR	0	-0.010	-0.009	13.953	0.383	0.383	0.000	0.000	0.000	0.000
396	A	397	VAL	0	0.014	0.000	8.907	0.271	0.271	0.000	0.000	0.000	0.000
397	A	398	TYR	0	0.008	0.000	8.628	0.341	0.341	0.000	0.000	0.000	0.000
401	A	402	PRO	0	-0.008	-0.014	6.676	-2.247	-2.247	0.000	0.000	0.000	0.000
402	A	403	ALA	0	0.009	0.017	8.678	-4.371	-4.371	0.000	0.000	0.000	0.000
404	A	405	LEU	0	0.012	0.010	7.555	-6.616	-6.616	0.000	0.000	0.000	0.000
405	A	406	PRO	0	0.017	0.027	9.330	0.223	0.223	0.000	0.000	0.000	0.000
406	A	407	ALA	0	0.003	0.003	12.085	-0.443	-0.443	0.000	0.000	0.000	0.000
407	A	408	PRO	0	-0.043	-0.026	13.459	-0.602	-0.602	0.000	0.000	0.000	0.000
408	A	409	ARG	1	0.901	0.967	14.601	-32.329	-32.329	0.000	0.000	0.000	0.000
409	A	410	THR	0	-0.079	-0.053	19.393	-0.607	-0.607	0.000	0.000	0.000	0.000
410	A	411	LEU	0	0.037	0.022	21.782	-0.564	-0.564	0.000	0.000	0.000	0.000
411	A	412	LEU	0	-0.060	-0.007	20.677	-0.635	-0.635	0.000	0.000	0.000	0.000
412	A	413	THR	0	-0.017	-0.024	23.607	0.311	0.311	0.000	0.000	0.000	0.000
413	A	414	LYS	1	0.859	0.936	26.230	-19.158	-19.158	0.000	0.000	0.000	0.000
414	A	415	GLY	0	0.031	0.015	25.966	-0.117	-0.117	0.000	0.000	0.000	0.000
415	A	416	THR	0	0.010	-0.005	20.063	0.264	0.264	0.000	0.000	0.000	0.000
416	A	417	LEU	0	-0.034	-0.010	18.243	-0.701	-0.701	0.000	0.000	0.000	0.000
417	A	418	GLU	-1	-0.866	-0.940	18.016	32.558	32.558	0.000	0.000	0.000	0.000
418	A	419	PRO	0	0.013	-0.009	13.025	-0.380	-0.380	0.000	0.000	0.000	0.000
419	A	420	GLU	-1	-0.820	-0.866	14.729	27.648	27.648	0.000	0.000	0.000	0.000
420	A	421	TYR	0	-0.025	-0.050	17.145	-0.935	-0.935	0.000	0.000	0.000	0.000
421	A	422	PHE	0	-0.015	0.015	11.896	-0.785	-0.785	0.000	0.000	0.000	0.000
422	A	423	ASN	0	-0.008	-0.025	11.506	-1.061	-1.061	0.000	0.000	0.000	0.000
423	A	424	SER	0	0.059	0.006	15.716	1.242	1.242	0.000	0.000	0.000	0.000
424	A	425	VAL	0	0.029	0.018	10.900	-0.136	-0.136	0.000	0.000	0.000	0.000
425	A	426	CYS	0	-0.073	-0.038	11.383	2.073	2.073	0.000	0.000	0.000	0.000
426	A	427	ARG	1	0.871	0.925	13.247	-25.747	-25.747	0.000	0.000	0.000	0.000
427	A	428	LEU	0	0.002	0.023	15.291	-0.639	-0.639	0.000	0.000	0.000	0.000
428	A	429	MET	0	-0.033	-0.013	8.274	0.670	0.670	0.000	0.000	0.000	0.000
429	A	430	LYS	1	0.877	0.946	12.727	-40.718	-40.718	0.000	0.000	0.000	0.000
430	A	431	THR	0	-0.040	-0.023	17.024	-1.398	-1.398	0.000	0.000	0.000	0.000
431	A	432	ILE	0	-0.020	-0.010	18.384	-0.951	-0.951	0.000	0.000	0.000	0.000
432	A	433	GLY	0	-0.001	0.023	16.503	-0.132	-0.132	0.000	0.000	0.000	0.000
433	A	434	PRO	0	-0.039	-0.036	11.853	-0.257	-0.257	0.000	0.000	0.000	0.000
434	A	435	ASP	-1	-0.826	-0.873	13.754	32.137	32.137	0.000	0.000	0.000	0.000
435	A	436	MET	0	-0.052	-0.026	10.803	-0.884	-0.884	0.000	0.000	0.000	0.000
436	A	437	PHE	0	0.019	0.001	9.702	2.897	2.897	0.000	0.000	0.000	0.000
437	A	438	LEU	0	0.002	0.016	5.630	-2.784	-2.784	0.000	0.000	0.000	0.000
438	A	439	GLY	0	0.057	0.016	6.839	7.905	7.905	0.000	0.000	0.000	0.000
439	A	440	THR	0	-0.012	-0.014	8.235	-3.859	-3.859	0.000	0.000	0.000	0.000
440	A	441	CYS	0	-0.022	-0.005	5.471	6.114	6.114	0.000	0.000	0.000	0.000
444	A	445	PRO	0	0.015	0.019	7.620	-1.367	-1.367	0.000	0.000	0.000	0.000
445	A	446	ALA	0	0.051	0.012	11.187	2.004	2.004	0.000	0.000	0.000	0.000
446	A	447	GLU	-1	-0.747	-0.882	13.238	37.436	37.436	0.000	0.000	0.000	0.000
447	A	448	ILE	0	-0.038	-0.004	9.759	-0.763	-0.763	0.000	0.000	0.000	0.000
448	A	449	VAL	0	-0.001	-0.007	9.103	1.853	1.853	0.000	0.000	0.000	0.000
449	A	450	ASP	-1	-0.869	-0.948	11.492	37.269	37.269	0.000	0.000	0.000	0.000
450	A	451	THR	0	-0.062	-0.034	13.994	-2.125	-2.125	0.000	0.000	0.000	0.000
451	A	452	VAL	0	0.027	0.004	8.768	-1.867	-1.867	0.000	0.000	0.000	0.000
452	A	453	SER	0	-0.036	-0.027	11.977	-0.648	-0.648	0.000	0.000	0.000	0.000
453	A	454	ALA	0	0.008	0.007	13.235	-1.394	-1.394	0.000	0.000	0.000	0.000
454	A	455	LEU	0	-0.077	-0.016	13.700	-1.798	-1.798	0.000	0.000	0.000	0.000
455	A	456	VAL	0	-0.018	-0.020	10.857	-1.204	-1.204	0.000	0.000	0.000	0.000
456	A	457	TYR	0	-0.067	-0.052	6.571	0.656	0.656	0.000	0.000	0.000	0.000
457	A	458	ASP	-1	-0.810	-0.897	12.566	37.334	37.334	0.000	0.000	0.000	0.000
458	A	459	ASN	0	-0.015	-0.010	15.641	-1.701	-1.701	0.000	0.000	0.000	0.000
459	A	460	LYS	1	0.838	0.902	14.384	-37.930	-37.930	0.000	0.000	0.000	0.000
460	A	461	LEU	0	-0.040	0.003	7.972	1.044	1.044	0.000	0.000	0.000	0.000
461	A	462	LYS	1	0.879	0.945	11.315	-43.399	-43.399	0.000	0.000	0.000	0.000
462	A	463	ALA	0	0.051	0.028	9.864	6.044	6.044	0.000	0.000	0.000	0.000
463	A	464	HIS	0	0.039	0.023	8.043	-4.204	-4.204	0.000	0.000	0.000	0.000
464	A	465	LYS	1	0.802	0.915	7.343	-58.741	-58.741	0.000	0.000	0.000	0.000
465	A	466	ASP	-1	-0.778	-0.883	10.944	33.206	33.206	0.000	0.000	0.000	0.000
466	A	467	LYS	1	0.860	0.923	13.587	-30.796	-30.796	0.000	0.000	0.000	0.000
467	A	468	SER	0	-0.041	-0.032	14.093	-1.408	-1.408	0.000	0.000	0.000	0.000
468	A	469	ALA	0	-0.027	-0.010	16.076	-1.494	-1.494	0.000	0.000	0.000	0.000
469	A	470	GLN	0	-0.009	0.008	16.620	-0.095	-0.095	0.000	0.000	0.000	0.000
470	A	471	CYS	0	-0.010	0.022	14.998	2.466	2.466	0.000	0.000	0.000	0.000
471	A	472	PHE	0	0.025	0.007	17.433	-1.431	-1.431	0.000	0.000	0.000	0.000
472	A	473	LYS	1	0.809	0.899	19.023	-26.657	-26.657	0.000	0.000	0.000	0.000
473	A	474	MET	0	0.016	0.008	21.193	-1.456	-1.456	0.000	0.000	0.000	0.000
474	A	475	PHE	0	0.001	0.007	23.392	0.642	0.642	0.000	0.000	0.000	0.000
475	A	476	TYR	0	0.060	0.021	25.605	-0.944	-0.944	0.000	0.000	0.000	0.000
476	A	477	LYS	1	0.872	0.925	26.383	-20.442	-20.442	0.000	0.000	0.000	0.000
477	A	478	GLY	0	-0.021	0.014	28.207	0.273	0.273	0.000	0.000	0.000	0.000
478	A	479	VAL	0	-0.008	-0.011	29.735	-0.584	-0.584	0.000	0.000	0.000	0.000
479	A	480	ILE	0	-0.025	-0.009	27.430	0.500	0.500	0.000	0.000	0.000	0.000
480	A	481	THR	0	-0.033	-0.014	29.422	-0.766	-0.766	0.000	0.000	0.000	0.000
481	A	482	HIS	0	0.041	0.001	28.511	0.411	0.411	0.000	0.000	0.000	0.000
482	A	483	ASP	-1	-0.835	-0.896	27.938	20.784	20.784	0.000	0.000	0.000	0.000
483	A	484	VAL	0	0.007	-0.009	28.889	0.584	0.584	0.000	0.000	0.000	0.000
484	A	485	SER	0	-0.007	0.005	25.617	-0.134	-0.134	0.000	0.000	0.000	0.000
485	A	486	SER	0	-0.069	-0.018	24.011	0.986	0.986	0.000	0.000	0.000	0.000
486	A	487	ALA	0	0.020	0.008	24.488	-0.887	-0.887	0.000	0.000	0.000	0.000
487	A	488	ILE	0	0.005	0.002	24.440	1.017	1.017	0.000	0.000	0.000	0.000
488	A	489	ASN	0	-0.025	-0.043	25.094	-1.113	-1.113	0.000	0.000	0.000	0.000
489	A	490	ARG	1	0.927	0.943	26.267	-19.161	-19.161	0.000	0.000	0.000	0.000
490	A	491	PRO	0	0.018	0.014	28.605	0.254	0.254	0.000	0.000	0.000	0.000
491	A	492	GLN	0	0.027	0.001	23.233	0.898	0.898	0.000	0.000	0.000	0.000
492	A	493	ILE	0	-0.003	0.009	23.630	0.582	0.582	0.000	0.000	0.000	0.000
493	A	494	GLY	0	-0.001	-0.001	25.480	0.032	0.032	0.000	0.000	0.000	0.000
494	A	495	VAL	0	0.048	0.023	25.400	-0.259	-0.259	0.000	0.000	0.000	0.000
495	A	496	VAL	0	0.004	0.009	21.590	0.190	0.190	0.000	0.000	0.000	0.000
496	A	497	ARG	1	0.947	0.969	24.425	-19.600	-19.600	0.000	0.000	0.000	0.000
497	A	498	GLU	-1	-0.831	-0.899	27.183	18.960	18.960	0.000	0.000	0.000	0.000
498	A	499	PHE	0	0.012	0.016	21.291	-0.335	-0.335	0.000	0.000	0.000	0.000
499	A	500	LEU	0	-0.021	-0.029	21.638	0.095	0.095	0.000	0.000	0.000	0.000
500	A	501	THR	0	-0.093	-0.043	25.338	-0.272	-0.272	0.000	0.000	0.000	0.000
501	A	502	ARG	1	0.856	0.907	27.783	-20.248	-20.248	0.000	0.000	0.000	0.000
502	A	503	ASN	0	-0.022	0.009	22.576	0.231	0.231	0.000	0.000	0.000	0.000
503	A	504	PRO	0	0.071	0.035	23.339	1.069	1.069	0.000	0.000	0.000	0.000
504	A	505	ALA	0	-0.018	-0.013	20.078	0.536	0.536	0.000	0.000	0.000	0.000
505	A	506	TRP	0	0.025	0.004	17.339	2.028	2.028	0.000	0.000	0.000	0.000
506	A	507	ARG	1	0.933	0.966	19.844	-22.354	-22.354	0.000	0.000	0.000	0.000
507	A	508	LYS	1	0.889	0.954	15.779	-33.012	-33.012	0.000	0.000	0.000	0.000
508	A	509	ALA	0	-0.021	-0.002	15.706	1.842	1.842	0.000	0.000	0.000	0.000
509	A	510	VAL	0	-0.019	-0.006	11.977	-1.438	-1.438	0.000	0.000	0.000	0.000
510	A	511	PHE	0	0.002	-0.004	14.562	0.880	0.880	0.000	0.000	0.000	0.000
511	A	512	ILE	0	0.008	-0.003	11.019	0.682	0.682	0.000	0.000	0.000	0.000
512	A	513	SER	0	0.000	-0.024	14.496	-2.009	-2.009	0.000	0.000	0.000	0.000
513	A	514	PRO	0	-0.034	-0.017	16.017	1.112	1.112	0.000	0.000	0.000	0.000
514	A	515	TYR	0	0.021	0.018	17.375	-1.014	-1.014	0.000	0.000	0.000	0.000
515	A	516	ASN	0	0.042	0.011	19.170	-0.449	-0.449	0.000	0.000	0.000	0.000
516	A	517	SER	0	0.015	-0.015	20.524	0.082	0.082	0.000	0.000	0.000	0.000
517	A	518	GLN	0	0.053	0.027	21.201	-1.577	-1.577	0.000	0.000	0.000	0.000
518	A	519	ASN	0	-0.009	0.003	16.157	-0.334	-0.334	0.000	0.000	0.000	0.000
519	A	520	ALA	0	0.030	0.025	20.513	-0.208	-0.208	0.000	0.000	0.000	0.000
520	A	521	VAL	0	-0.029	-0.023	23.674	-0.762	-0.762	0.000	0.000	0.000	0.000
521	A	522	ALA	0	0.019	0.003	21.493	-0.617	-0.617	0.000	0.000	0.000	0.000
522	A	523	SER	0	-0.046	-0.013	21.798	-0.420	-0.420	0.000	0.000	0.000	0.000
523	A	524	LYS	1	0.828	0.896	23.317	-21.064	-21.064	0.000	0.000	0.000	0.000
524	A	525	ILE	0	-0.042	-0.011	26.562	-0.724	-0.724	0.000	0.000	0.000	0.000
525	A	526	LEU	0	-0.064	-0.033	22.063	-0.380	-0.380	0.000	0.000	0.000	0.000
526	A	527	GLY	0	-0.014	0.006	24.732	0.059	0.059	0.000	0.000	0.000	0.000
527	A	528	LEU	0	-0.042	-0.009	19.167	0.268	0.268	0.000	0.000	0.000	0.000
528	A	529	PRO	0	0.011	0.006	16.257	-0.317	-0.317	0.000	0.000	0.000	0.000
529	A	530	THR	0	-0.024	0.000	16.565	0.830	0.830	0.000	0.000	0.000	0.000
530	A	531	GLN	0	0.044	0.036	11.820	0.368	0.368	0.000	0.000	0.000	0.000
531	A	532	THR	0	0.012	0.002	13.673	-1.119	-1.119	0.000	0.000	0.000	0.000
532	A	533	VAL	0	0.043	0.008	9.440	2.119	2.119	0.000	0.000	0.000	0.000
533	A	534	ASP	-1	-0.818	-0.891	9.164	46.295	46.295	0.000	0.000	0.000	0.000
534	A	535	SER	0	-0.040	-0.029	9.408	0.798	0.798	0.000	0.000	0.000	0.000
535	A	536	SER	0	-0.025	-0.013	8.165	1.936	1.936	0.000	0.000	0.000	0.000
540	A	541	TYR	0	0.044	-0.002	6.217	-5.978	-5.978	0.000	0.000	0.000	0.000
541	A	542	ASP	-1	-0.882	-0.942	9.363	49.546	49.546	0.000	0.000	0.000	0.000
542	A	543	TYR	0	-0.027	-0.032	11.058	-0.485	-0.485	0.000	0.000	0.000	0.000
543	A	544	VAL	0	-0.004	0.010	10.150	0.425	0.425	0.000	0.000	0.000	0.000
544	A	545	ILE	0	0.008	-0.002	13.609	-1.710	-1.710	0.000	0.000	0.000	0.000
545	A	546	PHE	0	0.046	0.011	14.278	0.471	0.471	0.000	0.000	0.000	0.000
546	A	547	THR	0	-0.002	0.013	16.273	-1.938	-1.938	0.000	0.000	0.000	0.000
547	A	548	GLN	0	0.094	0.035	18.720	-0.390	-0.390	0.000	0.000	0.000	0.000
548	A	549	THR	0	-0.034	-0.010	19.697	-0.306	-0.306	0.000	0.000	0.000	0.000
549	A	550	THR	0	-0.005	-0.021	22.487	-1.027	-1.027	0.000	0.000	0.000	0.000
550	A	551	GLU	-1	-0.790	-0.866	22.842	22.986	22.986	0.000	0.000	0.000	0.000
551	A	552	THR	0	0.004	0.003	23.283	-0.188	-0.188	0.000	0.000	0.000	0.000
552	A	553	ALA	0	0.071	0.020	22.397	0.958	0.958	0.000	0.000	0.000	0.000
553	A	554	HIS	0	-0.030	0.014	17.780	2.499	2.499	0.000	0.000	0.000	0.000
554	A	555	SER	0	-0.042	-0.050	18.152	1.773	1.773	0.000	0.000	0.000	0.000
555	A	556	CYS	0	0.002	0.011	18.469	1.003	1.003	0.000	0.000	0.000	0.000
556	A	557	ASN	0	0.025	0.028	15.015	1.800	1.800	0.000	0.000	0.000	0.000
557	A	558	VAL	0	0.091	0.036	14.456	2.027	2.027	0.000	0.000	0.000	0.000
558	A	559	ASN	0	0.011	0.014	10.963	1.317	1.317	0.000	0.000	0.000	0.000
559	A	560	ARG	1	0.819	0.881	10.234	-33.146	-33.146	0.000	0.000	0.000	0.000
560	A	561	PHE	0	0.052	0.008	11.200	2.763	2.763	0.000	0.000	0.000	0.000
561	A	562	ASN	0	0.031	-0.003	7.616	3.792	3.792	0.000	0.000	0.000	0.000
562	A	563	VAL	0	-0.017	0.003	5.649	5.869	5.869	0.000	0.000	0.000	0.000
563	A	564	ALA	0	-0.012	-0.003	6.804	5.590	5.590	0.000	0.000	0.000	0.000
564	A	565	ILE	0	0.010	-0.003	9.359	0.904	0.904	0.000	0.000	0.000	0.000
565	A	566	THR	0	-0.013	-0.022	5.662	-2.318	-2.318	0.000	0.000	0.000	0.000
567	A	568	ALA	0	-0.003	0.004	6.335	-0.841	-0.841	0.000	0.000	0.000	0.000
568	A	569	LYS	1	0.864	0.933	6.251	-59.466	-59.466	0.000	0.000	0.000	0.000
569	A	570	VAL	0	-0.030	-0.006	8.045	-1.905	-1.905	0.000	0.000	0.000	0.000
570	A	571	GLY	0	0.039	0.031	11.825	-1.599	-1.599	0.000	0.000	0.000	0.000
571	A	572	ILE	0	-0.010	-0.016	11.726	2.005	2.005	0.000	0.000	0.000	0.000
572	A	573	LEU	0	-0.007	0.016	15.119	-1.787	-1.787	0.000	0.000	0.000	0.000
573	A	574	CYS	0	-0.036	-0.001	15.676	1.606	1.606	0.000	0.000	0.000	0.000
574	A	575	ILE	0	-0.003	0.000	18.137	-1.456	-1.456	0.000	0.000	0.000	0.000
575	A	576	MET	0	-0.016	0.002	18.179	1.122	1.122	0.000	0.000	0.000	0.000
576	A	577	SER	0	0.018	-0.008	21.798	-0.951	-0.951	0.000	0.000	0.000	0.000
577	A	578	ASP	-1	-0.768	-0.892	22.306	25.405	25.405	0.000	0.000	0.000	0.000
578	A	579	ARG	1	0.810	0.880	23.412	-21.848	-21.848	0.000	0.000	0.000	0.000
579	A	580	ASP	-1	-0.829	-0.890	22.084	27.501	27.501	0.000	0.000	0.000	0.000
580	A	581	LEU	0	0.004	-0.015	17.442	0.907	0.907	0.000	0.000	0.000	0.000
581	A	582	TYR	0	-0.011	-0.001	19.690	1.290	1.290	0.000	0.000	0.000	0.000
582	A	583	ASP	-1	-0.809	-0.893	21.799	24.084	24.084	0.000	0.000	0.000	0.000
583	A	584	LYS	1	0.809	0.889	18.865	-28.114	-28.114	0.000	0.000	0.000	0.000
584	A	585	LEU	0	-0.032	0.009	15.664	1.799	1.799	0.000	0.000	0.000	0.000
585	A	586	GLN	0	0.003	0.008	17.843	-3.017	-3.017	0.000	0.000	0.000	0.000
586	A	587	PHE	0	-0.039	-0.043	13.814	0.835	0.835	0.000	0.000	0.000	0.000
587	A	588	THR	0	0.029	0.012	19.847	-1.635	-1.635	0.000	0.000	0.000	0.000
588	A	589	SER	0	-0.016	-0.008	22.916	0.609	0.609	0.000	0.000	0.000	0.000
589	A	590	LEU	0	-0.069	-0.043	23.916	-0.461	-0.461	0.000	0.000	0.000	0.000
590	A	591	GLU	-1	-0.873	-0.927	26.926	19.625	19.625	0.000	0.000	0.000	0.000
591	A	592	ILE	0	-0.103	-0.060	30.141	0.527	0.527	0.000	0.000	0.000	0.000
595	A	703	ZN2	-2	-2.092	-1.212	38.588	28.777	28.777	0.000	0.000	0.000	0.000
596	A	704	ZN3	-1	-1.174	-0.315	56.607	10.435	10.435	0.000	0.000	0.000	0.000

Top

Graph

Manual

About

Interactive mode: IFIE and PIEDA for fragment #593(A:701:ANP )