FMO DATABASE

FMODB ID: M3NLZ

Calculation Name: 2VDH-ABIJ-Xray434

Preferred Name:

Target Type:

Ligand Name: 2-carboxyarabinitol-1,5-diphosphate

ligand 3-letter code: CAP

PDB ID: 2VDH

Chain ID: ABIJ

ChEMBL ID:

UniProt ID: P00877

Base Structure: X-ray

Registration Date: 2023-09-26

Reference: M. Fujii, S. Tanaka, Interspecies Comparison of Interaction Energies between Photosynthetic Protein RuBisCO and 2CABP Ligand, Int. J. Mol. Sci. 2022, 23(19), 11347.

DOI: 10.3390/ijms231911347

IFIE MAP

IFIE Diagram

Modeling method

Optimization	MOE:Amber10:EHT
Restraint	OptH
Protonation	MOE:Protonate 3D
Complement	MOE:Structure Preparation
Water	No
Procedure	Manual calculation

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Manual
Number of fragment	1214
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-43975093.373517
FMO2-HF: Nuclear repulsion	43486557.598677
FMO2-HF: Total energy	-488535.77484
FMO2-MP2: Total energy	-489931.680161

3D Structure

Snapshot

Ligand structure

CAP

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.
-931.126	-942.144	183.139	-88.958	-83.157	-0.706

Interactive mode: IFIE and PIEDA for fragment #1213(A:1477:CAP)

Summations of interaction energy for fragment #1213(A:1477:CAP)

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.
-931.126	-942.144	183.139	-88.958	-83.157	0.706

Interaction energy analysis for fragmet #1213(A:1477:CAP)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : -4 / q_Mulliken : -3.175 / q_NPA : -3.586

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].
163	A	173	THR	0	0.118	0.035	2.186	-15.998	-12.570	2.169	-2.475	-3.122	-0.009
164	A	174	ILE	0	-0.028	-0.011	4.352	6.785	6.958	-0.001	-0.019	-0.153	0.000
165	A	175	LYS	1	0.833	0.912	2.134	-229.826	-226.116	6.962	-4.607	-6.065	0.067
167	A	177	LYS	1	0.772	0.888	4.305	-160.963	-160.584	-0.001	-0.127	-0.252	0.000
191	A	201	KCX	-1	-0.526	-0.808	1.610	179.706	170.439	27.518	-10.399	-7.852	-0.094
193	A	203	ASP	0	0.192	0.036	4.440	5.838	5.983	-0.001	-0.034	-0.110	0.000
194	A	204	GLU	0	0.155	-0.031	4.056	-16.316	-16.002	-0.001	-0.055	-0.258	0.000
285	A	294	HIS	0	0.066	0.017	1.950	-3.237	-3.801	7.353	-2.870	-3.919	0.014
286	A	295	ARG	1	0.777	0.855	1.773	-278.137	-278.760	23.766	-13.582	-9.561	0.186
287	A	296	ALA	0	0.004	0.003	5.068	0.228	0.290	-0.001	-0.009	-0.052	0.000
289	A	298	HIS	1	0.867	0.913	3.351	-177.458	-175.425	0.064	-1.048	-1.049	0.010
318	A	327	HIS	0	0.167	0.160	1.832	-58.135	-55.948	11.435	-7.040	-6.581	0.089
319	A	328	SER	0	0.018	-0.003	4.690	-6.960	-6.789	-0.001	-0.026	-0.144	0.000
320	A	329	GLY	0	0.031	0.018	3.437	-11.990	-10.641	0.049	-0.725	-0.673	0.005
321	A	330	THR	0	0.010	0.001	4.393	-21.857	-21.632	0.001	-0.047	-0.179	0.000
325	A	334	LYS	1	0.758	0.860	1.811	-270.542	-273.152	13.922	-6.230	-5.081	0.078
326	A	335	LEU	0	-0.011	-0.001	2.460	-20.756	-17.681	2.880	-2.372	-3.584	0.023
327	A	336	GLU	-1	-0.792	-0.889	5.615	83.191	83.227	-0.001	-0.001	-0.033	0.000
369	A	378	ALA	0	0.034	0.032	4.723	20.929	21.129	-0.001	-0.005	-0.193	0.000
370	A	379	SER	0	0.013	-0.031	1.874	-28.935	-26.910	9.752	-5.785	-5.991	0.026
371	A	380	GLY	0	0.076	0.038	2.134	9.533	11.768	8.310	-5.441	-5.103	0.022
372	A	381	GLY	0	-0.044	-0.030	1.891	-43.230	-48.047	8.447	-0.133	-3.496	0.049
373	A	382	ILE	0	-0.049	-0.008	3.876	-29.075	-28.407	0.019	-0.299	-0.388	0.003
392	A	401	GLN	0	0.049	0.001	4.037	-21.893	-21.704	-0.001	-0.020	-0.168	0.000
393	A	402	PHE	0	0.015	-0.003	3.692	18.622	19.415	0.017	-0.278	-0.531	0.001
394	A	403	GLY	0	0.048	0.031	1.931	-40.344	-40.575	9.177	-5.214	-3.732	0.066
395	A	404	GLY	0	0.039	-0.006	1.815	-51.810	-57.702	11.474	-1.955	-3.627	0.056
396	A	405	GLY	0	-0.008	-0.003	3.754	-28.699	-27.970	0.031	-0.365	-0.395	0.004
523	B	65	THR	0	-0.042	-0.069	1.508	-16.930	-33.249	34.975	-14.117	-4.538	0.085
524	B	66	TRP	0	0.017	0.007	2.364	-50.790	-48.496	3.016	-2.174	-3.137	0.030
581	B	123	ASN	0	0.096	0.015	2.585	6.003	8.796	1.812	-1.499	-3.106	-0.005
582	B	124	VAL	0	0.010	0.008	4.908	3.850	3.942	-0.001	-0.007	-0.084	0.000
1	A	11	ALA	0	-0.006	-0.015	51.196	-0.145	-0.145	0.000	0.000	0.000	0.000
2	A	12	GLY	0	-0.009	0.005	52.441	0.117	0.117	0.000	0.000	0.000	0.000
3	A	13	PHE	0	0.003	0.004	47.418	0.241	0.241	0.000	0.000	0.000	0.000
4	A	14	LYS	1	0.945	0.969	49.894	-23.847	-23.847	0.000	0.000	0.000	0.000
5	A	15	ALA	0	0.027	0.018	48.495	0.434	0.434	0.000	0.000	0.000	0.000
6	A	16	GLY	0	0.054	0.021	47.242	-0.379	-0.379	0.000	0.000	0.000	0.000
7	A	17	VAL	0	-0.004	0.001	42.150	0.301	0.301	0.000	0.000	0.000	0.000
8	A	18	LYS	1	0.874	0.948	43.369	-26.943	-26.943	0.000	0.000	0.000	0.000
9	A	19	ASP	-1	-0.858	-0.922	41.159	28.299	28.299	0.000	0.000	0.000	0.000
10	A	20	TYR	0	-0.040	-0.045	35.583	-0.350	-0.350	0.000	0.000	0.000	0.000
11	A	21	ARG	1	0.957	0.956	38.545	-28.931	-28.931	0.000	0.000	0.000	0.000
12	A	22	LEU	0	-0.055	-0.021	39.423	-0.330	-0.330	0.000	0.000	0.000	0.000
13	A	23	THR	0	-0.057	-0.018	39.791	-0.650	-0.650	0.000	0.000	0.000	0.000
14	A	24	TYR	0	0.027	0.006	35.252	-0.160	-0.160	0.000	0.000	0.000	0.000
15	A	25	TYR	0	0.000	0.017	35.687	0.544	0.544	0.000	0.000	0.000	0.000
16	A	26	THR	0	-0.064	-0.048	36.864	-0.775	-0.775	0.000	0.000	0.000	0.000
17	A	27	PRO	0	0.033	0.021	37.365	0.478	0.478	0.000	0.000	0.000	0.000
18	A	28	ASP	-1	-0.891	-0.931	38.444	27.852	27.852	0.000	0.000	0.000	0.000
19	A	29	TYR	0	-0.166	-0.106	34.305	-0.820	-0.820	0.000	0.000	0.000	0.000
20	A	30	VAL	0	0.013	0.012	37.159	0.592	0.592	0.000	0.000	0.000	0.000
21	A	31	VAL	0	-0.016	-0.011	31.824	-0.152	-0.152	0.000	0.000	0.000	0.000
22	A	32	ARG	1	0.938	0.979	34.393	-30.890	-30.890	0.000	0.000	0.000	0.000
23	A	33	ASP	-1	-0.865	-0.941	32.413	34.940	34.940	0.000	0.000	0.000	0.000
24	A	34	THR	0	-0.047	-0.041	31.264	0.619	0.619	0.000	0.000	0.000	0.000
25	A	35	ASP	-1	-0.815	-0.886	30.578	34.777	34.777	0.000	0.000	0.000	0.000
26	A	36	ILE	0	0.015	0.017	24.427	0.875	0.875	0.000	0.000	0.000	0.000
27	A	37	LEU	0	-0.046	-0.014	25.860	-1.175	-1.175	0.000	0.000	0.000	0.000
28	A	38	ALA	0	0.026	0.024	23.347	2.115	2.115	0.000	0.000	0.000	0.000
29	A	39	ALA	0	0.012	0.020	22.375	-1.815	-1.815	0.000	0.000	0.000	0.000
30	A	40	PHE	0	0.023	-0.004	22.015	2.653	2.653	0.000	0.000	0.000	0.000
31	A	41	ARG	1	0.821	0.911	19.361	-54.167	-54.167	0.000	0.000	0.000	0.000
32	A	42	MET	0	-0.003	-0.001	23.280	1.025	1.025	0.000	0.000	0.000	0.000
33	A	43	THR	0	0.015	0.006	25.163	-0.536	-0.536	0.000	0.000	0.000	0.000
34	A	44	PRO	0	0.031	0.020	27.550	0.281	0.281	0.000	0.000	0.000	0.000
35	A	45	GLN	0	-0.004	0.006	31.041	-0.051	-0.051	0.000	0.000	0.000	0.000
36	A	46	PRO	0	0.020	0.000	33.071	-0.480	-0.480	0.000	0.000	0.000	0.000
37	A	47	GLY	0	-0.004	-0.004	36.035	-0.402	-0.402	0.000	0.000	0.000	0.000
38	A	48	VAL	0	-0.032	-0.004	34.697	-0.695	-0.695	0.000	0.000	0.000	0.000
39	A	49	PRO	0	-0.014	-0.004	35.633	0.599	0.599	0.000	0.000	0.000	0.000
40	A	50	PRO	0	0.080	0.032	33.143	0.493	0.493	0.000	0.000	0.000	0.000
41	A	51	GLU	-1	-0.888	-0.959	33.658	31.670	31.670	0.000	0.000	0.000	0.000
42	A	52	GLU	-1	-0.777	-0.893	35.888	30.496	30.496	0.000	0.000	0.000	0.000
43	A	53	CYS	0	-0.020	-0.006	30.393	0.506	0.506	0.000	0.000	0.000	0.000
44	A	54	GLY	0	0.055	0.017	30.697	0.966	0.966	0.000	0.000	0.000	0.000
45	A	55	ALA	0	-0.031	-0.011	31.647	0.483	0.483	0.000	0.000	0.000	0.000
46	A	56	ALA	0	0.012	0.006	32.627	-0.092	-0.092	0.000	0.000	0.000	0.000
47	A	57	VAL	0	0.010	0.014	26.810	0.346	0.346	0.000	0.000	0.000	0.000
48	A	58	ALA	0	0.007	0.015	29.368	0.603	0.603	0.000	0.000	0.000	0.000
49	A	59	ALA	0	-0.013	0.004	31.143	-0.053	-0.053	0.000	0.000	0.000	0.000
50	A	60	GLU	-1	-0.758	-0.877	30.841	33.769	33.769	0.000	0.000	0.000	0.000
51	A	61	SER	0	-0.036	0.008	26.924	0.794	0.794	0.000	0.000	0.000	0.000
52	A	62	SER	0	-0.026	-0.030	28.802	0.026	0.026	0.000	0.000	0.000	0.000
53	A	63	THR	0	-0.020	-0.022	31.544	-0.402	-0.402	0.000	0.000	0.000	0.000
54	A	64	GLY	0	-0.010	0.004	34.584	-0.869	-0.869	0.000	0.000	0.000	0.000
55	A	65	THR	0	-0.055	-0.071	34.862	0.894	0.894	0.000	0.000	0.000	0.000
56	A	66	TRP	0	0.019	0.009	36.937	-0.575	-0.575	0.000	0.000	0.000	0.000
57	A	67	THR	0	0.007	0.009	38.609	-0.784	-0.784	0.000	0.000	0.000	0.000
58	A	68	THR	0	-0.071	-0.026	41.686	0.407	0.407	0.000	0.000	0.000	0.000
59	A	69	VAL	0	0.026	0.008	41.415	-0.422	-0.422	0.000	0.000	0.000	0.000
60	A	70	TRP	0	-0.044	-0.037	44.322	-0.184	-0.184	0.000	0.000	0.000	0.000
61	A	71	THR	0	-0.051	-0.074	42.664	-0.381	-0.381	0.000	0.000	0.000	0.000
62	A	72	ASP	-1	-0.829	-0.921	41.780	28.128	28.128	0.000	0.000	0.000	0.000
63	A	73	GLY	0	-0.060	-0.026	43.965	-0.001	-0.001	0.000	0.000	0.000	0.000
64	A	74	LEU	0	-0.085	-0.033	45.907	-0.407	-0.407	0.000	0.000	0.000	0.000
65	A	75	THR	0	-0.051	-0.028	41.302	-0.003	-0.003	0.000	0.000	0.000	0.000
66	A	76	SER	0	-0.015	-0.003	42.748	-0.247	-0.247	0.000	0.000	0.000	0.000
67	A	77	LEU	0	0.083	0.019	39.459	0.567	0.567	0.000	0.000	0.000	0.000
68	A	78	ASP	-1	-0.931	-0.961	39.498	27.725	27.725	0.000	0.000	0.000	0.000
69	A	79	ARG	1	0.864	0.948	39.056	-28.317	-28.317	0.000	0.000	0.000	0.000
70	A	80	TYR	0	-0.011	-0.012	36.187	0.592	0.592	0.000	0.000	0.000	0.000
71	A	81	LYS	1	0.855	0.944	34.877	-28.318	-28.318	0.000	0.000	0.000	0.000
72	A	82	GLY	0	0.051	0.022	32.058	0.216	0.216	0.000	0.000	0.000	0.000
73	A	83	ARG	1	0.843	0.914	32.519	-31.532	-31.532	0.000	0.000	0.000	0.000
74	A	84	CYS	0	0.026	0.020	31.971	1.162	1.162	0.000	0.000	0.000	0.000
75	A	85	TYR	0	-0.017	-0.023	29.589	-0.611	-0.611	0.000	0.000	0.000	0.000
76	A	86	ASP	-1	-0.864	-0.937	31.557	34.339	34.339	0.000	0.000	0.000	0.000
77	A	87	ILE	0	-0.064	-0.025	31.166	1.018	1.018	0.000	0.000	0.000	0.000
78	A	88	GLU	-1	-0.782	-0.872	27.405	40.160	40.160	0.000	0.000	0.000	0.000
79	A	89	PRO	0	0.002	0.011	29.459	0.943	0.943	0.000	0.000	0.000	0.000
80	A	90	VAL	0	-0.001	-0.002	24.652	0.805	0.805	0.000	0.000	0.000	0.000
81	A	91	PRO	0	-0.030	-0.009	26.689	-0.806	-0.806	0.000	0.000	0.000	0.000
82	A	92	GLY	0	-0.009	-0.017	26.800	1.399	1.399	0.000	0.000	0.000	0.000
83	A	93	GLU	-1	-0.906	-0.953	24.416	46.049	46.049	0.000	0.000	0.000	0.000
84	A	94	ASP	-1	-0.919	-0.948	28.467	35.867	35.867	0.000	0.000	0.000	0.000
85	A	95	ASN	0	-0.091	-0.062	29.727	-1.626	-1.626	0.000	0.000	0.000	0.000
86	A	96	GLN	0	0.070	0.027	22.834	1.332	1.332	0.000	0.000	0.000	0.000
87	A	97	TYR	0	0.005	-0.005	27.394	-1.123	-1.123	0.000	0.000	0.000	0.000
88	A	98	ILE	0	-0.015	-0.002	23.391	1.659	1.659	0.000	0.000	0.000	0.000
89	A	99	ALA	0	0.005	0.010	26.735	-1.671	-1.671	0.000	0.000	0.000	0.000
90	A	100	TYR	0	-0.049	-0.026	26.154	2.546	2.546	0.000	0.000	0.000	0.000
91	A	101	VAL	0	0.003	-0.006	27.632	-1.636	-1.636	0.000	0.000	0.000	0.000
92	A	102	ALA	0	-0.021	-0.003	28.153	1.150	1.150	0.000	0.000	0.000	0.000
93	A	103	TYR	0	-0.023	-0.055	26.096	-0.668	-0.668	0.000	0.000	0.000	0.000
94	A	104	HYP	0	-0.004	0.005	30.357	0.160	0.160	0.000	0.000	0.000	0.000
95	A	105	ILE	0	0.062	0.019	29.664	0.538	0.538	0.000	0.000	0.000	0.000
96	A	106	ASP	-1	-0.894	-0.956	31.120	32.211	32.211	0.000	0.000	0.000	0.000
97	A	107	LEU	0	-0.091	-0.049	30.238	-0.372	-0.372	0.000	0.000	0.000	0.000
98	A	108	PHE	0	-0.009	0.009	25.500	0.545	0.545	0.000	0.000	0.000	0.000
99	A	109	GLU	-1	-0.784	-0.876	27.237	38.144	38.144	0.000	0.000	0.000	0.000
100	A	110	GLU	-1	-0.787	-0.885	26.682	37.331	37.331	0.000	0.000	0.000	0.000
101	A	111	GLY	0	0.028	0.022	24.626	-0.183	-0.183	0.000	0.000	0.000	0.000
102	A	112	SER	0	-0.030	-0.009	23.011	2.295	2.295	0.000	0.000	0.000	0.000
103	A	113	VAL	0	0.044	0.018	16.794	-0.785	-0.785	0.000	0.000	0.000	0.000
104	A	114	THR	0	-0.006	-0.002	20.116	1.124	1.124	0.000	0.000	0.000	0.000
105	A	115	ASN	0	-0.006	0.000	20.967	-0.642	-0.642	0.000	0.000	0.000	0.000
106	A	116	MET	0	-0.015	0.008	19.342	-1.104	-1.104	0.000	0.000	0.000	0.000
107	A	117	PHE	0	0.020	-0.008	15.086	-0.068	-0.068	0.000	0.000	0.000	0.000
108	A	118	THR	0	-0.017	0.013	20.662	0.415	0.415	0.000	0.000	0.000	0.000
109	A	119	SER	0	-0.007	-0.004	23.488	-1.508	-1.508	0.000	0.000	0.000	0.000
110	A	120	ILE	0	-0.016	0.001	22.126	-0.574	-0.574	0.000	0.000	0.000	0.000
111	A	121	VAL	0	-0.022	-0.024	18.517	-0.144	-0.144	0.000	0.000	0.000	0.000
112	A	122	GLY	0	0.013	0.029	21.835	0.804	0.804	0.000	0.000	0.000	0.000
113	A	123	ASN	0	0.095	0.017	23.927	1.488	1.488	0.000	0.000	0.000	0.000
114	A	124	VAL	0	0.006	0.006	24.534	-0.132	-0.132	0.000	0.000	0.000	0.000
115	A	125	PHE	0	0.025	0.015	19.710	-0.761	-0.761	0.000	0.000	0.000	0.000
116	A	126	GLY	0	0.033	0.010	24.053	0.584	0.584	0.000	0.000	0.000	0.000
117	A	127	PHE	0	-0.018	0.000	26.379	-1.351	-1.351	0.000	0.000	0.000	0.000
118	A	128	LYS	1	0.808	0.898	29.363	-32.522	-32.522	0.000	0.000	0.000	0.000
119	A	129	ALA	0	-0.013	0.003	31.787	-0.002	-0.002	0.000	0.000	0.000	0.000
120	A	130	LEU	0	-0.031	-0.010	26.098	-0.299	-0.299	0.000	0.000	0.000	0.000
121	A	131	ARG	1	0.826	0.901	27.810	-38.201	-38.201	0.000	0.000	0.000	0.000
122	A	132	ALA	0	0.003	-0.003	22.657	1.338	1.338	0.000	0.000	0.000	0.000
123	A	133	LEU	0	-0.030	-0.010	22.513	-1.803	-1.803	0.000	0.000	0.000	0.000
124	A	134	ARG	1	0.836	0.927	13.302	-66.790	-66.790	0.000	0.000	0.000	0.000
125	A	135	LEU	0	-0.032	0.008	18.254	-1.999	-1.999	0.000	0.000	0.000	0.000
126	A	136	GLU	-1	-0.784	-0.893	17.352	63.505	63.505	0.000	0.000	0.000	0.000
127	A	137	ASP	-1	-0.795	-0.910	17.505	58.548	58.548	0.000	0.000	0.000	0.000
128	A	138	LEU	0	0.001	-0.012	18.904	-2.049	-2.049	0.000	0.000	0.000	0.000
129	A	139	ARG	1	0.859	0.950	20.990	-38.572	-38.572	0.000	0.000	0.000	0.000
130	A	140	ILE	0	0.007	-0.016	20.347	-1.726	-1.726	0.000	0.000	0.000	0.000
131	A	141	PRO	0	0.012	0.025	23.718	0.257	0.257	0.000	0.000	0.000	0.000
132	A	142	PRO	0	0.118	0.042	26.749	0.442	0.442	0.000	0.000	0.000	0.000
133	A	143	ALA	0	-0.016	-0.015	28.067	0.073	0.073	0.000	0.000	0.000	0.000
134	A	144	TYR	0	-0.018	-0.026	23.600	0.101	0.101	0.000	0.000	0.000	0.000
135	A	145	VAL	0	0.042	0.033	22.879	0.523	0.523	0.000	0.000	0.000	0.000
136	A	146	LYS	1	0.939	0.958	24.895	-38.801	-38.801	0.000	0.000	0.000	0.000
137	A	147	THR	0	-0.097	-0.047	26.473	-0.507	-0.507	0.000	0.000	0.000	0.000
138	A	148	PHE	0	-0.011	-0.009	21.564	0.170	0.170	0.000	0.000	0.000	0.000
139	A	149	VAL	0	-0.025	-0.004	22.848	-0.614	-0.614	0.000	0.000	0.000	0.000
140	A	150	GLY	0	0.027	0.021	19.908	-0.346	-0.346	0.000	0.000	0.000	0.000
141	A	151	HYP	0	-0.049	-0.036	16.816	1.519	1.519	0.000	0.000	0.000	0.000
142	A	152	PRO	0	-0.039	0.004	17.609	-2.892	-2.892	0.000	0.000	0.000	0.000
143	A	153	HIS	0	-0.064	-0.039	19.262	-5.277	-5.277	0.000	0.000	0.000	0.000
144	A	154	GLY	0	0.044	0.021	17.768	-2.004	-2.004	0.000	0.000	0.000	0.000
145	A	155	ILE	0	-0.030	-0.018	15.327	-0.938	-0.938	0.000	0.000	0.000	0.000
146	A	156	GLN	0	-0.042	-0.013	18.137	0.179	0.179	0.000	0.000	0.000	0.000
147	A	157	VAL	0	0.058	0.031	21.848	-0.620	-0.620	0.000	0.000	0.000	0.000
148	A	158	GLU	-1	-0.805	-0.886	15.416	73.668	73.668	0.000	0.000	0.000	0.000
149	A	159	ARG	1	0.804	0.885	17.538	-63.079	-63.079	0.000	0.000	0.000	0.000
150	A	160	ASP	-1	-0.813	-0.901	20.886	45.686	45.686	0.000	0.000	0.000	0.000
151	A	161	LYS	1	0.830	0.930	21.781	-49.625	-49.625	0.000	0.000	0.000	0.000
152	A	162	LEU	0	-0.027	-0.023	17.214	-0.826	-0.826	0.000	0.000	0.000	0.000
153	A	163	ASN	0	-0.018	0.001	21.684	-0.755	-0.755	0.000	0.000	0.000	0.000
154	A	164	LYS	1	0.756	0.885	17.882	-61.677	-61.677	0.000	0.000	0.000	0.000
155	A	165	TYR	0	-0.002	-0.021	21.312	1.320	1.320	0.000	0.000	0.000	0.000
156	A	166	GLY	0	0.012	0.021	22.157	-0.592	-0.592	0.000	0.000	0.000	0.000
157	A	167	ARG	1	0.787	0.881	15.875	-65.883	-65.883	0.000	0.000	0.000	0.000
158	A	168	GLY	0	0.047	0.039	15.155	0.097	0.097	0.000	0.000	0.000	0.000
159	A	169	LEU	0	-0.018	-0.013	13.486	-1.975	-1.975	0.000	0.000	0.000	0.000
160	A	170	LEU	0	0.005	0.011	10.163	6.084	6.084	0.000	0.000	0.000	0.000
161	A	171	GLY	0	0.038	0.003	9.027	-5.965	-5.965	0.000	0.000	0.000	0.000
162	A	172	SER	0	-0.063	-0.031	5.530	4.091	4.091	0.000	0.000	0.000	0.000
166	A	176	PRO	0	0.042	0.039	7.028	-8.921	-8.921	0.000	0.000	0.000	0.000
168	A	178	LEU	0	-0.021	-0.007	7.479	-6.026	-6.026	0.000	0.000	0.000	0.000
169	A	179	GLY	0	0.056	0.023	11.061	0.046	0.046	0.000	0.000	0.000	0.000
170	A	180	LEU	0	-0.053	-0.010	11.369	-5.742	-5.742	0.000	0.000	0.000	0.000
171	A	181	SER	0	0.054	0.024	14.565	-0.184	-0.184	0.000	0.000	0.000	0.000
172	A	182	ALA	0	0.085	0.032	16.156	2.511	2.511	0.000	0.000	0.000	0.000
173	A	183	LYS	1	0.959	0.987	17.156	-46.869	-46.869	0.000	0.000	0.000	0.000
174	A	184	ASN	0	-0.012	-0.029	15.958	-1.415	-1.415	0.000	0.000	0.000	0.000
175	A	185	TYR	0	0.091	0.046	8.348	1.399	1.399	0.000	0.000	0.000	0.000
176	A	186	GLY	0	0.049	0.028	13.599	2.699	2.699	0.000	0.000	0.000	0.000
177	A	187	ARG	1	0.912	0.955	16.149	-55.319	-55.319	0.000	0.000	0.000	0.000
178	A	188	ALA	0	-0.008	-0.006	11.707	-0.410	-0.410	0.000	0.000	0.000	0.000
179	A	189	VAL	0	0.058	0.027	11.481	1.857	1.857	0.000	0.000	0.000	0.000
180	A	190	TYR	0	-0.062	-0.068	13.312	-0.439	-0.439	0.000	0.000	0.000	0.000
181	A	191	GLU	-1	-0.916	-0.965	14.933	57.450	57.450	0.000	0.000	0.000	0.000
182	A	192	CYS	0	-0.029	-0.010	9.589	-0.615	-0.615	0.000	0.000	0.000	0.000
183	A	193	LEU	0	0.035	0.023	12.966	-1.310	-1.310	0.000	0.000	0.000	0.000
184	A	194	ARG	1	0.740	0.842	15.126	-56.519	-56.519	0.000	0.000	0.000	0.000
185	A	195	GLY	0	-0.032	-0.012	15.861	-2.755	-2.755	0.000	0.000	0.000	0.000
186	A	196	GLY	0	0.026	0.014	16.065	-0.537	-0.537	0.000	0.000	0.000	0.000
187	A	197	LEU	0	-0.038	-0.009	9.495	0.520	0.520	0.000	0.000	0.000	0.000
188	A	198	ASP	-1	-0.762	-0.843	13.222	66.932	66.932	0.000	0.000	0.000	0.000
189	A	199	PHE	0	0.006	-0.004	10.855	-3.688	-3.688	0.000	0.000	0.000	0.000
190	A	200	THR	0	-0.034	-0.047	8.805	2.863	2.863	0.000	0.000	0.000	0.000
192	A	202	ASP	-1	-0.706	-0.839	6.989	86.237	86.237	0.000	0.000	0.000	0.000
196	A	205	ASN	0	0.015	0.006	5.694	-4.381	-4.381	0.000	0.000	0.000	0.000
197	A	206	VAL	0	-0.048	-0.003	8.395	-9.372	-9.372	0.000	0.000	0.000	0.000
198	A	207	ASN	0	-0.032	-0.013	10.389	-2.284	-2.284	0.000	0.000	0.000	0.000
199	A	208	SER	0	0.022	-0.001	13.150	-2.105	-2.105	0.000	0.000	0.000	0.000
200	A	209	GLN	0	0.015	-0.006	12.485	-1.296	-1.296	0.000	0.000	0.000	0.000
201	A	210	PRO	0	-0.009	0.002	17.562	-1.182	-1.182	0.000	0.000	0.000	0.000
202	A	211	PHE	0	-0.025	0.000	12.892	-1.354	-1.354	0.000	0.000	0.000	0.000
203	A	212	MET	0	-0.077	-0.025	12.312	-0.764	-0.764	0.000	0.000	0.000	0.000
204	A	213	ARG	1	0.857	0.943	16.948	-50.151	-50.151	0.000	0.000	0.000	0.000
205	A	214	TRP	0	0.057	0.012	16.796	0.278	0.278	0.000	0.000	0.000	0.000
206	A	215	ARG	1	0.967	0.994	17.740	-43.970	-43.970	0.000	0.000	0.000	0.000
207	A	216	ASP	-1	-0.887	-0.945	20.104	48.457	48.457	0.000	0.000	0.000	0.000
208	A	217	ARG	1	0.784	0.862	12.598	-74.853	-74.853	0.000	0.000	0.000	0.000
209	A	218	PHE	0	0.012	-0.008	14.908	0.573	0.573	0.000	0.000	0.000	0.000
210	A	219	LEU	0	0.018	0.014	18.164	-0.538	-0.538	0.000	0.000	0.000	0.000
211	A	220	PHE	0	-0.005	-0.011	18.532	-1.065	-1.065	0.000	0.000	0.000	0.000
212	A	221	VAL	0	-0.001	0.004	13.914	0.265	0.265	0.000	0.000	0.000	0.000
213	A	222	ALA	0	0.017	0.018	16.855	0.281	0.281	0.000	0.000	0.000	0.000
214	A	223	GLU	-1	-0.983	-0.988	19.730	46.420	46.420	0.000	0.000	0.000	0.000
215	A	224	ALA	0	-0.030	-0.020	16.928	-0.940	-0.940	0.000	0.000	0.000	0.000
216	A	225	ILE	0	0.018	0.000	15.814	0.021	0.021	0.000	0.000	0.000	0.000
217	A	226	TYR	0	-0.034	-0.026	18.463	-0.595	-0.595	0.000	0.000	0.000	0.000
218	A	227	LYS	1	0.913	0.973	21.424	-48.493	-48.493	0.000	0.000	0.000	0.000
219	A	228	ALA	0	0.032	0.007	18.617	-1.278	-1.278	0.000	0.000	0.000	0.000
220	A	229	GLN	0	0.029	0.028	20.519	1.488	1.488	0.000	0.000	0.000	0.000
221	A	230	ALA	0	-0.025	-0.006	22.108	-1.483	-1.483	0.000	0.000	0.000	0.000
222	A	231	GLU	-1	-0.828	-0.885	22.174	49.399	49.399	0.000	0.000	0.000	0.000
223	A	232	THR	0	-0.014	-0.020	19.658	-0.831	-0.831	0.000	0.000	0.000	0.000
224	A	233	GLY	0	-0.012	0.006	23.119	-0.911	-0.911	0.000	0.000	0.000	0.000
225	A	234	GLU	-1	-0.772	-0.868	19.688	56.212	56.212	0.000	0.000	0.000	0.000
226	A	235	VAL	0	0.023	0.007	19.722	0.452	0.452	0.000	0.000	0.000	0.000
227	A	236	LYS	1	0.833	0.931	16.836	-60.889	-60.889	0.000	0.000	0.000	0.000
228	A	237	GLY	0	0.019	-0.001	15.439	-2.825	-2.825	0.000	0.000	0.000	0.000
229	A	238	HIS	0	-0.021	-0.007	9.852	3.541	3.541	0.000	0.000	0.000	0.000
230	A	239	TYR	0	-0.014	-0.012	7.347	-8.198	-8.198	0.000	0.000	0.000	0.000
231	A	240	LEU	0	-0.018	-0.002	10.085	4.051	4.051	0.000	0.000	0.000	0.000
232	A	241	ASN	0	0.015	0.004	8.488	-5.927	-5.927	0.000	0.000	0.000	0.000
233	A	242	ALA	0	-0.021	-0.010	11.387	-4.081	-4.081	0.000	0.000	0.000	0.000
234	A	243	THR	0	-0.005	-0.004	10.386	-4.679	-4.679	0.000	0.000	0.000	0.000
235	A	244	ALA	0	-0.009	-0.006	13.359	-0.824	-0.824	0.000	0.000	0.000	0.000
236	A	245	GLY	0	0.046	0.020	16.474	0.870	0.870	0.000	0.000	0.000	0.000
237	A	246	THR	0	0.020	0.018	19.069	-0.504	-0.504	0.000	0.000	0.000	0.000
238	B	247	CYS	0	0.062	-0.008	20.428	1.182	1.182	0.000	0.000	0.000	0.000
239	A	248	GLU	-1	-0.821	-0.898	21.926	44.643	44.643	0.000	0.000	0.000	0.000
240	A	249	GLU	-1	-0.862	-0.921	20.047	48.656	48.656	0.000	0.000	0.000	0.000
241	A	250	MET	0	-0.014	0.014	16.584	1.254	1.254	0.000	0.000	0.000	0.000
242	A	251	MET	0	-0.010	-0.006	18.835	1.178	1.178	0.000	0.000	0.000	0.000
243	A	252	LYS	1	0.861	0.917	21.579	-45.372	-45.372	0.000	0.000	0.000	0.000
244	A	253	ARG	1	0.741	0.860	15.807	-59.450	-59.450	0.000	0.000	0.000	0.000
245	A	254	ALA	0	0.052	0.026	18.559	0.735	0.735	0.000	0.000	0.000	0.000
246	A	255	VAL	0	-0.013	0.002	19.393	-0.582	-0.582	0.000	0.000	0.000	0.000
247	A	256	SMC	0	-0.053	-0.014	20.890	-0.376	-0.376	0.000	0.000	0.000	0.000
248	A	257	ALA	0	0.044	0.010	17.994	-0.455	-0.455	0.000	0.000	0.000	0.000
249	A	258	LYS	1	0.890	0.924	20.040	-43.060	-43.060	0.000	0.000	0.000	0.000
250	A	259	GLU	-1	-1.009	-1.013	22.881	40.331	40.331	0.000	0.000	0.000	0.000
251	A	260	LEU	0	-0.066	-0.021	20.687	-1.063	-1.063	0.000	0.000	0.000	0.000
252	A	261	GLY	0	0.020	0.023	23.716	-0.109	-0.109	0.000	0.000	0.000	0.000
253	A	262	VAL	0	-0.047	-0.018	18.138	0.587	0.587	0.000	0.000	0.000	0.000
254	A	263	PRO	0	0.031	0.009	17.056	-0.339	-0.339	0.000	0.000	0.000	0.000
255	A	264	ILE	0	-0.026	-0.012	12.624	0.008	0.008	0.000	0.000	0.000	0.000
256	A	265	ILE	0	-0.006	0.009	13.362	0.211	0.211	0.000	0.000	0.000	0.000
257	A	266	MET	0	-0.043	-0.012	5.305	1.922	1.922	0.000	0.000	0.000	0.000
258	A	267	HIS	0	-0.038	-0.029	10.241	-6.413	-6.413	0.000	0.000	0.000	0.000
259	A	268	ASP	-1	-0.759	-0.893	7.813	111.303	111.303	0.000	0.000	0.000	0.000
260	A	269	TYR	0	-0.050	-0.038	7.548	-2.688	-2.688	0.000	0.000	0.000	0.000
261	A	270	LEU	0	-0.028	-0.003	7.861	-5.541	-5.541	0.000	0.000	0.000	0.000
262	A	271	THR	0	-0.034	-0.021	10.017	-4.046	-4.046	0.000	0.000	0.000	0.000
263	A	272	GLY	0	0.016	0.017	12.418	-4.651	-4.651	0.000	0.000	0.000	0.000
264	A	273	GLY	0	-0.006	-0.009	13.831	-4.735	-4.735	0.000	0.000	0.000	0.000
265	A	274	PHE	0	0.058	0.004	13.583	0.660	0.660	0.000	0.000	0.000	0.000
266	A	275	THR	0	0.000	0.028	16.794	-0.630	-0.630	0.000	0.000	0.000	0.000
267	A	276	ALA	0	0.022	-0.007	17.521	-1.324	-1.324	0.000	0.000	0.000	0.000
268	A	277	ASN	0	0.031	0.008	13.921	3.170	3.170	0.000	0.000	0.000	0.000
269	A	278	THR	0	0.014	0.010	16.592	0.277	0.277	0.000	0.000	0.000	0.000
270	A	279	SER	0	-0.020	-0.034	19.414	-1.215	-1.215	0.000	0.000	0.000	0.000
271	A	280	LEU	0	-0.010	-0.005	15.131	-1.402	-1.402	0.000	0.000	0.000	0.000
272	A	281	ALA	0	0.038	0.018	17.581	-0.499	-0.499	0.000	0.000	0.000	0.000
273	A	282	ILE	0	0.003	-0.001	19.225	-1.263	-1.263	0.000	0.000	0.000	0.000
274	A	283	TYR	0	0.052	0.028	20.908	-1.274	-1.274	0.000	0.000	0.000	0.000
275	A	284	CYS	0	-0.048	-0.027	18.153	-0.402	-0.402	0.000	0.000	0.000	0.000
276	A	285	ARG	1	0.842	0.912	20.787	-48.606	-48.606	0.000	0.000	0.000	0.000
277	A	286	ASP	-1	-0.929	-0.957	23.451	40.964	40.964	0.000	0.000	0.000	0.000
278	A	287	ASN	0	-0.118	-0.058	23.430	-2.979	-2.979	0.000	0.000	0.000	0.000
279	A	288	GLY	0	-0.019	0.012	23.390	-0.229	-0.229	0.000	0.000	0.000	0.000
280	A	289	LEU	0	-0.039	-0.017	18.090	0.655	0.655	0.000	0.000	0.000	0.000
281	A	290	LEU	0	-0.001	-0.006	15.875	0.057	0.057	0.000	0.000	0.000	0.000
282	A	291	LEU	0	0.000	-0.009	13.235	0.968	0.968	0.000	0.000	0.000	0.000
283	A	292	HIS	0	-0.007	-0.012	5.534	-7.245	-7.245	0.000	0.000	0.000	0.000
284	A	293	ILE	0	0.010	0.007	8.360	-0.304	-0.304	0.000	0.000	0.000	0.000
288	A	297	MET	0	0.013	-0.006	5.948	-12.275	-12.275	0.000	0.000	0.000	0.000
290	A	299	ALA	0	0.001	0.022	6.550	-8.575	-8.575	0.000	0.000	0.000	0.000
291	A	300	VAL	0	-0.040	-0.009	8.286	-8.085	-8.085	0.000	0.000	0.000	0.000
292	A	301	ILE	0	-0.022	-0.015	10.659	-6.601	-6.601	0.000	0.000	0.000	0.000
293	A	302	ASP	-1	-0.803	-0.892	8.189	108.663	108.663	0.000	0.000	0.000	0.000
294	A	303	ARG	1	0.781	0.890	9.200	-95.075	-95.075	0.000	0.000	0.000	0.000
295	A	304	GLN	0	-0.033	-0.026	11.146	-5.222	-5.222	0.000	0.000	0.000	0.000
296	A	305	ARG	1	0.867	0.941	14.911	-53.936	-53.936	0.000	0.000	0.000	0.000
297	A	306	ASN	0	-0.018	-0.024	17.039	0.324	0.324	0.000	0.000	0.000	0.000
298	A	307	HIS	0	-0.010	-0.022	18.129	-3.651	-3.651	0.000	0.000	0.000	0.000
299	A	308	GLY	0	0.047	0.039	15.837	3.048	3.048	0.000	0.000	0.000	0.000
300	A	309	ILE	0	-0.038	-0.028	14.138	-3.853	-3.853	0.000	0.000	0.000	0.000
301	A	310	HIS	0	0.012	0.015	11.977	4.622	4.622	0.000	0.000	0.000	0.000
302	A	311	PHE	0	0.083	0.023	6.907	1.735	1.735	0.000	0.000	0.000	0.000
303	A	312	ARG	1	0.903	0.941	10.507	-65.051	-65.051	0.000	0.000	0.000	0.000
304	A	313	VAL	0	-0.017	0.006	13.048	-2.241	-2.241	0.000	0.000	0.000	0.000
305	A	314	LEU	0	-0.013	-0.008	9.585	-1.982	-1.982	0.000	0.000	0.000	0.000
306	A	315	ALA	0	0.018	0.024	10.229	0.705	0.705	0.000	0.000	0.000	0.000
307	A	316	LYS	1	0.828	0.909	11.488	-58.205	-58.205	0.000	0.000	0.000	0.000
308	A	317	ALA	0	0.007	0.002	14.015	-2.498	-2.498	0.000	0.000	0.000	0.000
309	A	318	LEU	0	0.010	0.006	10.497	-2.448	-2.448	0.000	0.000	0.000	0.000
310	A	319	ARG	1	0.775	0.890	13.409	-60.617	-60.617	0.000	0.000	0.000	0.000
311	A	320	MET	0	-0.010	-0.006	15.684	-2.366	-2.366	0.000	0.000	0.000	0.000
312	A	321	SER	0	-0.059	-0.028	15.587	-1.013	-1.013	0.000	0.000	0.000	0.000
313	A	322	GLY	0	0.027	0.006	16.158	-2.407	-2.407	0.000	0.000	0.000	0.000
314	A	323	GLY	0	0.036	-0.013	13.429	2.831	2.831	0.000	0.000	0.000	0.000
315	A	324	ASP	-1	-0.724	-0.849	14.456	61.779	61.779	0.000	0.000	0.000	0.000
316	A	325	HIS	1	0.747	0.858	9.548	-88.021	-88.021	0.000	0.000	0.000	0.000
317	A	326	LEU	0	0.036	0.021	7.018	-1.667	-1.667	0.000	0.000	0.000	0.000
322	A	331	VAL	0	0.023	0.039	7.088	-12.216	-12.216	0.000	0.000	0.000	0.000
323	A	332	VAL	0	-0.019	-0.030	9.177	-3.885	-3.885	0.000	0.000	0.000	0.000
324	A	333	GLY	0	0.002	0.020	7.058	-4.185	-4.185	0.000	0.000	0.000	0.000
328	A	337	GLY	0	0.034	0.005	5.870	12.920	12.920	0.000	0.000	0.000	0.000
329	A	338	GLU	-1	-0.841	-0.916	8.029	67.464	67.464	0.000	0.000	0.000	0.000
330	A	339	ARG	1	0.898	0.941	11.713	-64.281	-64.281	0.000	0.000	0.000	0.000
331	A	340	GLU	-1	-0.865	-0.934	13.452	61.194	61.194	0.000	0.000	0.000	0.000
332	A	341	VAL	0	-0.030	-0.019	11.157	-1.055	-1.055	0.000	0.000	0.000	0.000
333	A	342	THR	0	-0.058	-0.044	9.055	4.262	4.262	0.000	0.000	0.000	0.000
334	A	343	LEU	0	-0.024	-0.020	11.242	0.597	0.597	0.000	0.000	0.000	0.000
335	A	344	GLY	0	0.045	0.038	14.444	-2.215	-2.215	0.000	0.000	0.000	0.000
336	A	345	PHE	0	-0.021	-0.024	7.774	-1.913	-1.913	0.000	0.000	0.000	0.000
337	A	346	VAL	0	0.015	0.001	10.629	1.599	1.599	0.000	0.000	0.000	0.000
338	A	347	ASP	-1	-0.858	-0.918	13.017	59.970	59.970	0.000	0.000	0.000	0.000
339	A	348	LEU	0	-0.085	-0.038	15.397	-2.083	-2.083	0.000	0.000	0.000	0.000
340	A	349	MET	0	-0.070	-0.012	9.234	1.058	1.058	0.000	0.000	0.000	0.000
341	A	350	ARG	1	0.829	0.911	14.056	-72.550	-72.550	0.000	0.000	0.000	0.000
342	A	351	ASP	-1	-0.865	-0.920	16.595	54.250	54.250	0.000	0.000	0.000	0.000
343	A	352	ASP	-1	-0.902	-0.952	20.061	45.429	45.429	0.000	0.000	0.000	0.000
344	A	353	TYR	0	0.003	-0.007	23.163	-0.998	-0.998	0.000	0.000	0.000	0.000
345	A	354	VAL	0	0.011	0.018	19.521	0.515	0.515	0.000	0.000	0.000	0.000
346	A	355	GLU	-1	-0.936	-0.972	22.932	39.392	39.392	0.000	0.000	0.000	0.000
347	A	356	LYS	1	0.923	0.960	23.506	-39.250	-39.250	0.000	0.000	0.000	0.000
348	A	357	ASP	-1	-0.794	-0.895	21.790	48.375	48.375	0.000	0.000	0.000	0.000
349	A	358	ARG	1	0.833	0.901	21.336	-43.535	-43.535	0.000	0.000	0.000	0.000
350	A	359	SER	0	-0.096	-0.040	21.282	1.606	1.606	0.000	0.000	0.000	0.000
351	A	360	ARG	1	1.010	0.999	17.631	-56.029	-56.029	0.000	0.000	0.000	0.000
352	A	361	GLY	0	-0.045	-0.028	16.910	3.234	3.234	0.000	0.000	0.000	0.000
353	A	362	ILE	0	-0.024	0.005	18.216	0.959	0.959	0.000	0.000	0.000	0.000
354	A	363	TYR	0	-0.053	-0.047	19.331	-3.151	-3.151	0.000	0.000	0.000	0.000
355	A	364	PHE	0	-0.051	-0.031	22.395	-2.583	-2.583	0.000	0.000	0.000	0.000
356	A	365	THR	0	0.050	0.030	23.071	1.775	1.775	0.000	0.000	0.000	0.000
357	A	366	GLN	0	-0.044	-0.016	20.290	-0.053	-0.053	0.000	0.000	0.000	0.000
358	A	367	ASP	-1	-0.847	-0.927	23.521	41.782	41.782	0.000	0.000	0.000	0.000
359	A	368	TRP	0	-0.018	-0.027	17.650	-0.092	-0.092	0.000	0.000	0.000	0.000
360	A	369	SMC	0	-0.050	-0.019	23.574	-0.561	-0.561	0.000	0.000	0.000	0.000
361	A	370	SER	0	-0.031	-0.028	25.708	-1.340	-1.340	0.000	0.000	0.000	0.000
362	A	371	MET	0	-0.060	0.006	20.494	0.973	0.973	0.000	0.000	0.000	0.000
363	A	372	PRO	0	0.021	0.020	19.997	1.170	1.170	0.000	0.000	0.000	0.000
364	A	373	GLY	0	0.067	0.041	17.698	1.187	1.187	0.000	0.000	0.000	0.000
365	A	374	VAL	0	-0.028	-0.025	11.640	-0.001	-0.001	0.000	0.000	0.000	0.000
366	A	375	MET	0	-0.003	-0.003	11.682	0.532	0.532	0.000	0.000	0.000	0.000
367	A	376	PRO	0	-0.002	0.003	8.965	5.865	5.865	0.000	0.000	0.000	0.000
368	A	377	VAL	0	-0.019	-0.013	5.394	-4.182	-4.182	0.000	0.000	0.000	0.000
374	A	383	HIS	0	0.021	-0.021	5.672	6.674	6.674	0.000	0.000	0.000	0.000
375	A	384	VAL	0	0.058	0.017	8.423	-4.293	-4.293	0.000	0.000	0.000	0.000
376	A	385	TRP	0	-0.080	-0.040	11.776	-6.733	-6.733	0.000	0.000	0.000	0.000
377	A	386	HIS	0	0.032	0.024	9.024	0.855	0.855	0.000	0.000	0.000	0.000
378	A	387	MET	0	-0.025	0.015	10.927	0.337	0.337	0.000	0.000	0.000	0.000
379	A	388	PRO	0	0.010	-0.004	13.337	-1.065	-1.065	0.000	0.000	0.000	0.000
380	A	389	ALA	0	0.023	0.013	14.626	-1.729	-1.729	0.000	0.000	0.000	0.000
381	A	390	LEU	0	0.001	0.006	9.374	0.721	0.721	0.000	0.000	0.000	0.000
382	A	391	VAL	0	0.006	-0.009	13.325	-0.474	-0.474	0.000	0.000	0.000	0.000
383	A	392	GLU	-1	-0.902	-0.940	16.117	61.930	61.930	0.000	0.000	0.000	0.000
384	A	393	ILE	0	-0.031	-0.002	12.098	-1.725	-1.725	0.000	0.000	0.000	0.000
385	A	394	PHE	0	-0.037	-0.020	8.539	-0.047	-0.047	0.000	0.000	0.000	0.000
386	A	395	GLY	0	0.033	0.029	13.886	-3.035	-3.035	0.000	0.000	0.000	0.000
387	A	396	ASP	-1	-0.825	-0.911	15.570	63.177	63.177	0.000	0.000	0.000	0.000
388	A	397	ASP	-1	-0.888	-0.935	15.829	63.309	63.309	0.000	0.000	0.000	0.000
389	A	398	ALA	0	0.045	0.012	10.853	2.414	2.414	0.000	0.000	0.000	0.000
390	A	399	CYS	0	-0.063	-0.009	9.556	-3.532	-3.532	0.000	0.000	0.000	0.000
391	A	400	LEU	0	-0.010	-0.005	8.697	9.671	9.671	0.000	0.000	0.000	0.000
397	A	406	THR	0	-0.055	-0.033	6.085	-21.010	-21.010	0.000	0.000	0.000	0.000
398	A	407	LEU	0	-0.028	-0.025	6.412	-12.856	-12.856	0.000	0.000	0.000	0.000
399	A	408	GLY	0	0.039	0.018	7.469	-6.608	-6.608	0.000	0.000	0.000	0.000
400	A	409	HIS	0	-0.021	0.001	8.551	-6.147	-6.147	0.000	0.000	0.000	0.000
401	A	410	PRO	0	0.008	-0.009	11.540	-2.226	-2.226	0.000	0.000	0.000	0.000
402	A	411	TRP	0	-0.044	-0.045	14.765	-3.991	-3.991	0.000	0.000	0.000	0.000
403	A	412	GLY	0	0.031	0.030	13.678	-3.203	-3.203	0.000	0.000	0.000	0.000
404	A	413	ASN	0	0.017	0.003	11.233	2.987	2.987	0.000	0.000	0.000	0.000
405	A	414	ALA	0	0.066	0.053	12.754	2.059	2.059	0.000	0.000	0.000	0.000
406	A	415	PRO	0	-0.020	-0.028	15.471	-0.041	-0.041	0.000	0.000	0.000	0.000
407	A	416	GLY	0	0.032	0.012	11.689	-0.213	-0.213	0.000	0.000	0.000	0.000
408	A	417	ALA	0	-0.019	-0.003	11.469	3.380	3.380	0.000	0.000	0.000	0.000
409	A	418	ALA	0	0.019	0.017	12.430	-0.156	-0.156	0.000	0.000	0.000	0.000
410	A	419	ALA	0	-0.034	-0.009	13.216	-1.762	-1.762	0.000	0.000	0.000	0.000
411	A	420	ASN	0	0.013	-0.003	8.609	-2.084	-2.084	0.000	0.000	0.000	0.000
412	A	421	ARG	1	0.757	0.861	12.177	-62.230	-62.230	0.000	0.000	0.000	0.000
413	A	422	VAL	0	-0.009	-0.008	14.948	-2.442	-2.442	0.000	0.000	0.000	0.000
414	A	423	ALA	0	-0.016	-0.006	13.892	-2.122	-2.122	0.000	0.000	0.000	0.000
415	A	424	LEU	0	0.024	0.007	13.823	-1.704	-1.704	0.000	0.000	0.000	0.000
416	A	425	GLU	-1	-0.746	-0.872	15.683	53.655	53.655	0.000	0.000	0.000	0.000
417	A	426	ALA	0	0.027	0.016	19.094	-2.632	-2.632	0.000	0.000	0.000	0.000
418	A	427	CYS	0	-0.059	-0.028	17.503	-1.682	-1.682	0.000	0.000	0.000	0.000
419	A	428	THR	0	0.005	-0.004	18.565	-1.015	-1.015	0.000	0.000	0.000	0.000
420	A	429	GLN	0	-0.011	-0.002	20.926	-1.159	-1.159	0.000	0.000	0.000	0.000
421	A	430	ALA	0	-0.001	-0.003	22.935	-1.724	-1.724	0.000	0.000	0.000	0.000
422	A	431	ARG	1	0.818	0.887	19.840	-57.982	-57.982	0.000	0.000	0.000	0.000
423	A	432	ASN	0	-0.030	-0.021	24.446	-0.073	-0.073	0.000	0.000	0.000	0.000
424	A	433	GLU	-1	-0.961	-0.982	26.749	40.954	40.954	0.000	0.000	0.000	0.000
425	A	434	GLY	0	-0.018	0.003	28.090	-1.549	-1.549	0.000	0.000	0.000	0.000
426	A	435	ARG	1	0.863	0.941	25.876	-45.722	-45.722	0.000	0.000	0.000	0.000
427	A	436	ASP	-1	-0.793	-0.886	24.640	51.212	51.212	0.000	0.000	0.000	0.000
428	A	437	LEU	0	-0.013	-0.017	19.385	0.197	0.197	0.000	0.000	0.000	0.000
429	A	438	ALA	0	0.014	0.010	21.295	1.960	1.960	0.000	0.000	0.000	0.000
430	A	439	ARG	1	0.823	0.902	22.357	-48.082	-48.082	0.000	0.000	0.000	0.000
431	A	440	GLU	-1	-0.836	-0.927	24.695	43.650	43.650	0.000	0.000	0.000	0.000
432	A	441	GLY	0	0.039	0.023	20.362	0.147	0.147	0.000	0.000	0.000	0.000
433	A	442	GLY	0	-0.002	-0.020	20.196	1.189	1.189	0.000	0.000	0.000	0.000
434	A	443	ASP	-1	-0.863	-0.933	21.199	46.022	46.022	0.000	0.000	0.000	0.000
435	A	444	VAL	0	-0.025	0.008	20.677	-1.097	-1.097	0.000	0.000	0.000	0.000
436	A	445	ILE	0	0.053	0.024	16.292	-0.532	-0.532	0.000	0.000	0.000	0.000
437	A	446	ARG	1	0.892	0.935	19.552	-51.674	-51.674	0.000	0.000	0.000	0.000
438	A	447	SER	0	-0.085	-0.049	22.214	-1.912	-1.912	0.000	0.000	0.000	0.000
439	A	448	ALA	0	0.040	0.029	19.880	-1.283	-1.283	0.000	0.000	0.000	0.000
440	A	449	CYS	0	-0.117	-0.076	14.071	2.775	2.775	0.000	0.000	0.000	0.000
441	A	450	LYS	1	0.909	0.954	20.781	-44.716	-44.716	0.000	0.000	0.000	0.000
442	A	451	TRP	0	-0.009	0.013	21.895	-1.190	-1.190	0.000	0.000	0.000	0.000
443	A	452	SER	0	0.011	0.022	19.949	0.107	0.107	0.000	0.000	0.000	0.000
444	A	453	PRO	0	0.037	0.005	20.829	1.576	1.576	0.000	0.000	0.000	0.000
445	A	454	GLU	-1	-0.818	-0.905	17.030	54.107	54.107	0.000	0.000	0.000	0.000
446	A	455	LEU	0	0.031	0.015	15.273	3.653	3.653	0.000	0.000	0.000	0.000
447	A	456	ALA	0	0.006	-0.004	16.754	2.444	2.444	0.000	0.000	0.000	0.000
448	A	457	ALA	0	-0.044	-0.017	17.234	0.635	0.635	0.000	0.000	0.000	0.000
449	A	458	ALA	0	0.016	0.008	12.598	1.735	1.735	0.000	0.000	0.000	0.000
450	A	460	GLU	-1	-0.952	-0.975	16.231	55.242	55.242	0.000	0.000	0.000	0.000
451	A	461	VAL	0	-0.024	0.003	12.267	-0.334	-0.334	0.000	0.000	0.000	0.000
452	A	462	TRP	0	-0.016	-0.025	8.555	1.585	1.585	0.000	0.000	0.000	0.000
453	A	463	LYS	1	0.926	0.978	13.065	-52.383	-52.383	0.000	0.000	0.000	0.000
454	A	464	GLU	-1	-0.936	-0.974	15.969	58.153	58.153	0.000	0.000	0.000	0.000
455	A	465	ILE	0	-0.069	-0.012	9.477	0.681	0.681	0.000	0.000	0.000	0.000
456	A	466	LYS	1	0.973	0.983	12.027	-63.744	-63.744	0.000	0.000	0.000	0.000
457	A	467	PHE	0	0.007	0.005	7.041	1.625	1.625	0.000	0.000	0.000	0.000
458	A	468	GLU	-1	-0.956	-0.979	11.680	71.829	71.829	0.000	0.000	0.000	0.000
459	A	469	PHE	0	0.026	0.003	12.250	-2.210	-2.210	0.000	0.000	0.000	0.000
460	A	470	ASP	-1	-0.861	-0.929	14.968	61.221	61.221	0.000	0.000	0.000	0.000
461	A	471	THR	0	-0.037	-0.015	12.114	2.809	2.809	0.000	0.000	0.000	0.000
462	A	472	ILE	0	-0.027	-0.021	12.693	-4.991	-4.991	0.000	0.000	0.000	0.000
463	A	473	ASP	-1	-0.820	-0.895	11.284	73.562	73.562	0.000	0.000	0.000	0.000
464	A	474	LYS	1	0.881	0.946	13.331	-59.081	-59.081	0.000	0.000	0.000	0.000
465	A	475	LEU	0	0.012	0.012	16.142	-3.488	-3.488	0.000	0.000	0.000	0.000
466	B	8	LYS	1	0.946	0.952	30.954	-33.502	-33.502	0.000	0.000	0.000	0.000
467	B	9	ALA	0	0.019	0.006	25.836	0.161	0.161	0.000	0.000	0.000	0.000
468	B	10	GLY	0	0.024	0.030	25.271	-0.383	-0.383	0.000	0.000	0.000	0.000
469	B	11	ALA	0	-0.001	0.002	20.115	0.348	0.348	0.000	0.000	0.000	0.000
470	B	12	GLY	0	0.035	0.013	19.597	-0.320	-0.320	0.000	0.000	0.000	0.000
471	B	13	PHE	0	-0.051	-0.018	11.598	-0.002	-0.002	0.000	0.000	0.000	0.000
472	B	14	LYS	1	0.949	0.974	15.417	-61.155	-61.155	0.000	0.000	0.000	0.000
473	B	15	ALA	0	0.029	0.020	12.361	2.777	2.777	0.000	0.000	0.000	0.000
474	B	16	GLY	0	0.054	0.021	11.257	-4.577	-4.577	0.000	0.000	0.000	0.000
475	B	17	VAL	0	0.003	0.004	9.235	3.369	3.369	0.000	0.000	0.000	0.000
476	B	18	LYS	1	0.884	0.949	11.439	-79.247	-79.247	0.000	0.000	0.000	0.000
477	B	19	ASP	-1	-0.867	-0.923	12.333	72.278	72.278	0.000	0.000	0.000	0.000
478	B	20	TYR	0	-0.031	-0.037	6.707	-3.992	-3.992	0.000	0.000	0.000	0.000
479	B	21	ARG	1	0.950	0.956	13.344	-58.380	-58.380	0.000	0.000	0.000	0.000
480	B	22	LEU	0	-0.056	-0.025	16.202	-3.235	-3.235	0.000	0.000	0.000	0.000
481	B	23	THR	0	-0.055	-0.018	13.869	-3.597	-3.597	0.000	0.000	0.000	0.000
482	B	24	TYR	0	0.028	0.007	11.022	0.459	0.459	0.000	0.000	0.000	0.000
483	B	25	TYR	0	0.014	0.021	16.106	-0.552	-0.552	0.000	0.000	0.000	0.000
484	B	26	THR	0	-0.083	-0.060	19.336	-0.918	-0.918	0.000	0.000	0.000	0.000
485	B	27	PRO	0	0.034	0.024	22.180	-0.277	-0.277	0.000	0.000	0.000	0.000
486	B	28	ASP	-1	-0.893	-0.932	25.393	41.005	41.005	0.000	0.000	0.000	0.000
487	B	29	TYR	0	-0.165	-0.105	23.693	-0.821	-0.821	0.000	0.000	0.000	0.000
488	B	30	VAL	0	0.019	0.012	26.091	-0.393	-0.393	0.000	0.000	0.000	0.000
489	B	31	VAL	0	-0.037	-0.012	24.878	0.700	0.700	0.000	0.000	0.000	0.000
490	B	32	ARG	1	0.949	0.977	24.471	-48.260	-48.260	0.000	0.000	0.000	0.000
491	B	33	ASP	-1	-0.872	-0.945	27.034	39.890	39.890	0.000	0.000	0.000	0.000
492	B	34	THR	0	-0.045	-0.038	25.065	-0.489	-0.489	0.000	0.000	0.000	0.000
493	B	35	ASP	-1	-0.818	-0.882	22.662	52.303	52.303	0.000	0.000	0.000	0.000
494	B	36	ILE	0	0.010	0.012	18.554	-2.005	-2.005	0.000	0.000	0.000	0.000
495	B	37	LEU	0	-0.043	-0.011	20.325	1.859	1.859	0.000	0.000	0.000	0.000
496	B	38	ALA	0	0.025	0.020	17.411	-0.417	-0.417	0.000	0.000	0.000	0.000
497	B	39	ALA	0	0.019	0.021	19.311	-0.463	-0.463	0.000	0.000	0.000	0.000
498	B	40	PHE	0	0.012	-0.006	13.486	0.719	0.719	0.000	0.000	0.000	0.000
499	B	41	ARG	1	0.839	0.913	18.493	-51.400	-51.400	0.000	0.000	0.000	0.000
500	B	42	MET	0	-0.017	-0.008	16.340	3.835	3.835	0.000	0.000	0.000	0.000
501	B	43	THR	0	0.015	0.008	17.573	-4.463	-4.463	0.000	0.000	0.000	0.000
502	B	44	PRO	0	0.030	0.021	17.101	4.320	4.320	0.000	0.000	0.000	0.000
503	B	45	GLN	0	0.002	0.007	13.877	-7.718	-7.718	0.000	0.000	0.000	0.000
504	B	46	PRO	0	0.011	-0.002	18.065	-1.389	-1.389	0.000	0.000	0.000	0.000
505	B	47	GLY	0	-0.002	-0.003	20.450	1.544	1.544	0.000	0.000	0.000	0.000
506	B	48	VAL	0	-0.031	-0.003	15.988	1.322	1.322	0.000	0.000	0.000	0.000
507	B	49	PRO	0	-0.013	-0.005	18.532	-1.304	-1.304	0.000	0.000	0.000	0.000
508	B	50	PRO	0	0.071	0.030	19.087	3.670	3.670	0.000	0.000	0.000	0.000
509	B	51	GLU	-1	-0.885	-0.958	19.466	55.015	55.015	0.000	0.000	0.000	0.000
510	B	52	GLU	-1	-0.782	-0.899	13.850	78.637	78.637	0.000	0.000	0.000	0.000
511	B	53	CYS	0	-0.013	-0.001	14.990	5.789	5.789	0.000	0.000	0.000	0.000
512	B	54	GLY	0	0.047	0.011	14.593	4.136	4.136	0.000	0.000	0.000	0.000
513	B	55	ALA	0	-0.028	-0.014	15.463	1.810	1.810	0.000	0.000	0.000	0.000
514	B	56	ALA	0	0.012	0.008	10.912	3.682	3.682	0.000	0.000	0.000	0.000
515	B	57	VAL	0	0.003	0.013	10.612	7.930	7.930	0.000	0.000	0.000	0.000
516	B	58	ALA	0	0.018	0.014	11.389	3.372	3.372	0.000	0.000	0.000	0.000
517	B	59	ALA	0	-0.016	0.008	10.007	0.826	0.826	0.000	0.000	0.000	0.000
518	B	60	GLU	-1	-0.759	-0.887	5.353	181.393	181.393	0.000	0.000	0.000	0.000
519	B	61	SER	0	-0.030	0.014	7.123	5.307	5.307	0.000	0.000	0.000	0.000
520	B	62	SER	0	-0.037	-0.039	9.787	-6.670	-6.670	0.000	0.000	0.000	0.000
521	B	63	THR	0	-0.024	-0.025	9.926	-0.405	-0.405	0.000	0.000	0.000	0.000
522	B	64	GLY	0	-0.029	-0.009	8.028	1.547	1.547	0.000	0.000	0.000	0.000
525	B	67	THR	0	-0.002	0.010	5.248	-21.432	-21.432	0.000	0.000	0.000	0.000
526	B	68	THR	0	-0.075	-0.027	6.637	5.634	5.634	0.000	0.000	0.000	0.000
527	B	69	VAL	0	0.042	0.015	5.814	0.955	0.955	0.000	0.000	0.000	0.000
528	B	70	TRP	0	-0.041	-0.035	8.904	-8.538	-8.538	0.000	0.000	0.000	0.000
529	B	71	THR	0	-0.047	-0.074	9.709	-5.345	-5.345	0.000	0.000	0.000	0.000
530	B	72	ASP	-1	-0.838	-0.929	10.641	86.039	86.039	0.000	0.000	0.000	0.000
531	B	73	GLY	0	-0.058	-0.027	12.996	-3.527	-3.527	0.000	0.000	0.000	0.000
532	B	74	LEU	0	-0.096	-0.037	15.244	-3.802	-3.802	0.000	0.000	0.000	0.000
533	B	75	THR	0	-0.047	-0.022	14.336	-3.448	-3.448	0.000	0.000	0.000	0.000
534	B	76	SER	0	-0.008	-0.002	17.371	-1.141	-1.141	0.000	0.000	0.000	0.000
535	B	77	LEU	0	0.077	0.019	11.918	-0.745	-0.745	0.000	0.000	0.000	0.000
536	B	78	ASP	-1	-0.939	-0.961	16.068	55.272	55.272	0.000	0.000	0.000	0.000
537	B	79	ARG	1	0.870	0.948	19.373	-52.381	-52.381	0.000	0.000	0.000	0.000
538	B	80	TYR	0	-0.013	-0.012	15.158	-1.115	-1.115	0.000	0.000	0.000	0.000
539	B	81	LYS	1	0.860	0.944	14.503	-59.571	-59.571	0.000	0.000	0.000	0.000
540	B	82	GLY	0	0.065	0.029	14.566	-3.798	-3.798	0.000	0.000	0.000	0.000
541	B	83	ARG	1	0.830	0.912	16.100	-54.496	-54.496	0.000	0.000	0.000	0.000
542	B	84	CYS	0	-0.006	0.011	17.638	-1.803	-1.803	0.000	0.000	0.000	0.000
543	B	85	TYR	0	-0.005	-0.018	19.318	-0.420	-0.420	0.000	0.000	0.000	0.000
544	B	86	ASP	-1	-0.857	-0.934	22.635	43.176	43.176	0.000	0.000	0.000	0.000
545	B	87	ILE	0	-0.062	-0.027	20.687	2.871	2.871	0.000	0.000	0.000	0.000
546	B	88	GLU	-1	-0.764	-0.865	24.137	41.874	41.874	0.000	0.000	0.000	0.000
547	B	89	PRO	0	0.010	0.013	25.480	1.777	1.777	0.000	0.000	0.000	0.000
548	B	90	VAL	0	0.005	0.001	25.087	-0.756	-0.756	0.000	0.000	0.000	0.000
549	B	91	PRO	0	-0.034	-0.008	28.169	-0.463	-0.463	0.000	0.000	0.000	0.000
550	B	92	GLY	0	-0.009	-0.021	30.983	0.060	0.060	0.000	0.000	0.000	0.000
551	B	93	GLU	-1	-0.908	-0.954	26.332	44.950	44.950	0.000	0.000	0.000	0.000
552	B	94	ASP	-1	-0.928	-0.952	27.345	41.399	41.399	0.000	0.000	0.000	0.000
553	B	95	ASN	0	-0.084	-0.054	21.035	0.287	0.287	0.000	0.000	0.000	0.000
554	B	96	GLN	0	0.069	0.026	22.000	1.883	1.883	0.000	0.000	0.000	0.000
555	B	97	TYR	0	-0.002	-0.008	21.706	-2.427	-2.427	0.000	0.000	0.000	0.000
556	B	98	ILE	0	-0.024	-0.007	21.621	2.422	2.422	0.000	0.000	0.000	0.000
557	B	99	ALA	0	0.001	0.012	18.446	-1.168	-1.168	0.000	0.000	0.000	0.000
558	B	100	TYR	0	-0.045	-0.023	19.889	1.461	1.461	0.000	0.000	0.000	0.000
559	B	101	VAL	0	0.005	-0.007	15.586	0.668	0.668	0.000	0.000	0.000	0.000
560	B	102	ALA	0	-0.009	0.004	18.955	-1.507	-1.507	0.000	0.000	0.000	0.000
561	B	103	TYR	0	-0.031	-0.055	13.355	1.197	1.197	0.000	0.000	0.000	0.000
562	B	104	HYP	0	0.017	0.012	17.295	-3.201	-3.201	0.000	0.000	0.000	0.000
563	B	105	ILE	0	0.048	0.013	18.637	2.383	2.383	0.000	0.000	0.000	0.000
564	B	106	ASP	-1	-0.904	-0.957	18.710	53.712	53.712	0.000	0.000	0.000	0.000
565	B	107	LEU	0	-0.087	-0.048	13.754	1.918	1.918	0.000	0.000	0.000	0.000
566	B	108	PHE	0	-0.026	0.000	14.644	4.184	4.184	0.000	0.000	0.000	0.000
567	B	109	GLU	-1	-0.783	-0.878	16.219	58.469	58.469	0.000	0.000	0.000	0.000
568	B	110	GLU	-1	-0.803	-0.906	17.860	51.659	51.659	0.000	0.000	0.000	0.000
569	B	111	GLY	0	0.035	0.027	21.362	0.144	0.144	0.000	0.000	0.000	0.000
570	B	112	SER	0	-0.022	-0.004	16.265	0.139	0.139	0.000	0.000	0.000	0.000
571	B	113	VAL	0	0.045	0.020	17.483	2.198	2.198	0.000	0.000	0.000	0.000
572	B	114	THR	0	-0.002	0.002	13.522	1.949	1.949	0.000	0.000	0.000	0.000
573	B	115	ASN	0	-0.003	0.002	12.332	2.024	2.024	0.000	0.000	0.000	0.000
574	B	116	MET	0	-0.015	0.005	12.814	3.405	3.405	0.000	0.000	0.000	0.000
575	B	117	PHE	0	0.012	-0.012	12.605	2.091	2.091	0.000	0.000	0.000	0.000
576	B	118	THR	0	-0.020	0.010	7.983	3.016	3.016	0.000	0.000	0.000	0.000
577	B	119	SER	0	0.011	0.001	8.178	11.749	11.749	0.000	0.000	0.000	0.000
578	B	120	ILE	0	-0.037	-0.001	9.575	5.265	5.265	0.000	0.000	0.000	0.000
579	B	121	VAL	0	-0.010	-0.020	10.373	-0.072	-0.072	0.000	0.000	0.000	0.000
580	B	122	GLY	0	0.008	0.027	6.558	3.089	3.089	0.000	0.000	0.000	0.000
583	B	125	PHE	0	0.027	0.014	8.289	-3.598	-3.598	0.000	0.000	0.000	0.000
584	B	126	GLY	0	0.046	0.015	5.967	-6.879	-6.879	0.000	0.000	0.000	0.000
585	B	127	PHE	0	-0.021	0.001	5.161	4.253	4.253	0.000	0.000	0.000	0.000
586	B	128	LYS	1	0.843	0.930	8.519	-118.457	-118.457	0.000	0.000	0.000	0.000
587	B	129	ALA	0	-0.013	0.004	10.457	-7.560	-7.560	0.000	0.000	0.000	0.000
588	B	130	LEU	0	-0.038	-0.019	11.190	-6.613	-6.613	0.000	0.000	0.000	0.000
589	B	131	ARG	1	0.833	0.902	12.905	-58.579	-58.579	0.000	0.000	0.000	0.000
590	B	132	ALA	0	-0.009	-0.007	14.678	-0.154	-0.154	0.000	0.000	0.000	0.000
591	B	133	LEU	0	-0.020	-0.005	12.293	-0.220	-0.220	0.000	0.000	0.000	0.000
592	B	134	ARG	1	0.845	0.933	15.305	-51.081	-51.081	0.000	0.000	0.000	0.000
593	B	135	LEU	0	-0.027	0.012	15.449	-1.199	-1.199	0.000	0.000	0.000	0.000
594	B	136	GLU	-1	-0.784	-0.895	17.562	48.574	48.574	0.000	0.000	0.000	0.000
595	B	137	ASP	-1	-0.795	-0.916	20.784	44.484	44.484	0.000	0.000	0.000	0.000
596	B	138	LEU	0	-0.010	-0.014	17.296	2.654	2.654	0.000	0.000	0.000	0.000
597	B	139	ARG	1	0.867	0.955	21.406	-47.575	-47.575	0.000	0.000	0.000	0.000
598	B	140	ILE	0	0.018	-0.009	21.176	1.900	1.900	0.000	0.000	0.000	0.000
599	B	141	PRO	0	0.002	0.025	23.428	-2.123	-2.123	0.000	0.000	0.000	0.000
600	B	142	PRO	0	0.140	0.045	26.556	0.818	0.818	0.000	0.000	0.000	0.000
601	B	143	ALA	0	-0.031	-0.022	26.925	-0.107	-0.107	0.000	0.000	0.000	0.000
602	B	144	TYR	0	-0.009	-0.022	18.681	0.649	0.649	0.000	0.000	0.000	0.000
603	B	145	VAL	0	0.028	0.021	24.686	0.572	0.572	0.000	0.000	0.000	0.000
604	B	146	LYS	1	0.946	0.961	26.748	-36.532	-36.532	0.000	0.000	0.000	0.000
605	B	147	THR	0	-0.099	-0.037	23.902	-0.122	-0.122	0.000	0.000	0.000	0.000
606	B	148	PHE	0	-0.011	-0.007	20.646	0.904	0.904	0.000	0.000	0.000	0.000
607	B	149	VAL	0	-0.012	-0.002	26.255	-1.267	-1.267	0.000	0.000	0.000	0.000
608	B	150	GLY	0	0.028	0.020	27.486	-1.317	-1.317	0.000	0.000	0.000	0.000
609	B	151	HYP	0	-0.072	-0.042	28.655	-0.093	-0.093	0.000	0.000	0.000	0.000
610	B	152	PRO	0	-0.038	0.005	30.530	-0.617	-0.617	0.000	0.000	0.000	0.000
611	B	153	HIS	0	-0.067	-0.035	33.308	-1.513	-1.513	0.000	0.000	0.000	0.000
612	B	154	GLY	0	0.047	0.022	35.059	-0.272	-0.272	0.000	0.000	0.000	0.000
613	B	155	ILE	0	-0.025	-0.017	35.902	-0.852	-0.852	0.000	0.000	0.000	0.000
614	B	156	GLN	0	-0.037	-0.011	38.443	-0.254	-0.254	0.000	0.000	0.000	0.000
615	B	157	VAL	0	0.061	0.031	39.361	-0.647	-0.647	0.000	0.000	0.000	0.000
616	B	158	GLU	-1	-0.801	-0.880	37.873	30.818	30.818	0.000	0.000	0.000	0.000
617	B	159	ARG	1	0.813	0.889	40.766	-28.237	-28.237	0.000	0.000	0.000	0.000
618	B	160	ASP	-1	-0.821	-0.896	43.856	25.904	25.904	0.000	0.000	0.000	0.000
619	B	161	LYS	1	0.826	0.931	40.870	-29.549	-29.549	0.000	0.000	0.000	0.000
620	B	162	LEU	0	-0.015	-0.017	41.413	-0.532	-0.532	0.000	0.000	0.000	0.000
621	B	163	ASN	0	-0.020	0.000	45.713	-0.409	-0.409	0.000	0.000	0.000	0.000
622	B	164	LYS	1	0.762	0.886	45.066	-26.077	-26.077	0.000	0.000	0.000	0.000
623	B	165	TYR	0	-0.008	-0.032	46.562	0.462	0.462	0.000	0.000	0.000	0.000
624	B	166	GLY	0	0.024	0.026	48.071	-0.463	-0.463	0.000	0.000	0.000	0.000
625	B	167	ARG	1	0.774	0.876	46.325	-25.743	-25.743	0.000	0.000	0.000	0.000
626	B	168	GLY	0	0.059	0.047	43.414	0.425	0.425	0.000	0.000	0.000	0.000
627	B	169	LEU	0	-0.025	-0.015	40.431	-0.632	-0.632	0.000	0.000	0.000	0.000
628	B	170	LEU	0	0.006	0.007	42.053	0.395	0.395	0.000	0.000	0.000	0.000
629	B	171	GLY	0	0.044	0.004	39.956	-0.136	-0.136	0.000	0.000	0.000	0.000
630	B	172	SER	0	-0.059	-0.028	39.909	-0.265	-0.265	0.000	0.000	0.000	0.000
631	B	173	THR	0	0.114	0.034	34.564	-0.208	-0.208	0.000	0.000	0.000	0.000
632	B	174	ILE	0	-0.025	-0.013	37.627	-0.698	-0.698	0.000	0.000	0.000	0.000
633	B	175	LYS	1	0.836	0.915	34.641	-32.099	-32.099	0.000	0.000	0.000	0.000
634	B	176	PRO	0	0.040	0.039	38.128	-0.822	-0.822	0.000	0.000	0.000	0.000
635	B	177	LYS	1	0.756	0.888	30.484	-36.450	-36.450	0.000	0.000	0.000	0.000
636	B	178	LEU	0	-0.018	-0.008	30.535	0.102	0.102	0.000	0.000	0.000	0.000
637	B	179	GLY	0	0.055	0.020	35.164	-0.553	-0.553	0.000	0.000	0.000	0.000
638	B	180	LEU	0	-0.043	-0.006	38.208	-0.922	-0.922	0.000	0.000	0.000	0.000
639	B	181	SER	0	0.051	0.025	39.611	0.420	0.420	0.000	0.000	0.000	0.000
640	B	182	ALA	0	0.095	0.031	41.201	-0.065	-0.065	0.000	0.000	0.000	0.000
641	B	183	LYS	1	0.948	0.983	42.106	-23.867	-23.867	0.000	0.000	0.000	0.000
642	B	184	ASN	0	-0.013	-0.026	44.264	-0.851	-0.851	0.000	0.000	0.000	0.000
643	B	185	TYR	0	0.094	0.048	36.255	-0.253	-0.253	0.000	0.000	0.000	0.000
644	B	186	GLY	0	0.057	0.032	42.531	-0.011	-0.011	0.000	0.000	0.000	0.000
645	B	187	ARG	1	0.921	0.957	44.812	-24.198	-24.198	0.000	0.000	0.000	0.000
646	B	188	ALA	0	-0.009	-0.006	43.700	-0.402	-0.402	0.000	0.000	0.000	0.000
647	B	189	VAL	0	0.050	0.023	41.799	-0.209	-0.209	0.000	0.000	0.000	0.000
648	B	190	TYR	0	-0.075	-0.090	44.584	-0.294	-0.294	0.000	0.000	0.000	0.000
649	B	191	GLU	-1	-0.918	-0.965	48.186	22.605	22.605	0.000	0.000	0.000	0.000
650	B	192	CYS	0	-0.039	-0.014	43.571	-0.390	-0.390	0.000	0.000	0.000	0.000
651	B	193	LEU	0	0.033	0.021	43.712	-0.289	-0.289	0.000	0.000	0.000	0.000
652	B	194	ARG	1	0.750	0.850	47.454	-22.445	-22.445	0.000	0.000	0.000	0.000
653	B	195	GLY	0	-0.039	-0.015	50.219	-0.464	-0.464	0.000	0.000	0.000	0.000
654	B	196	GLY	0	0.029	0.015	50.013	-0.238	-0.238	0.000	0.000	0.000	0.000
655	B	197	LEU	0	-0.041	-0.011	43.504	0.136	0.136	0.000	0.000	0.000	0.000
656	B	198	ASP	-1	-0.746	-0.830	43.564	25.806	25.806	0.000	0.000	0.000	0.000
657	B	199	PHE	0	0.017	-0.002	39.787	0.046	0.046	0.000	0.000	0.000	0.000
658	B	200	THR	0	-0.047	-0.057	40.391	-0.517	-0.517	0.000	0.000	0.000	0.000
659	B	201	KCX	-1	-0.540	-0.815	32.203	36.305	36.305	0.000	0.000	0.000	0.000
660	B	202	ASP	-1	-0.708	-0.839	33.512	32.005	32.005	0.000	0.000	0.000	0.000
661	B	203	ASP	0	0.192	0.050	32.894	0.350	0.350	0.000	0.000	0.000	0.000
662	B	204	GLU	0	0.164	-0.033	27.280	-0.075	-0.075	0.000	0.000	0.000	0.000
663	B	1476	merge:B:AS	-1	-1.738	-1.100	27.115	35.674	35.674	0.000	0.000	0.000	0.000
664	B	205	ASN	0	0.007	0.001	27.616	-0.034	-0.034	0.000	0.000	0.000	0.000
665	B	206	VAL	0	-0.046	0.002	28.692	-0.244	-0.244	0.000	0.000	0.000	0.000
666	B	207	ASN	0	-0.017	-0.005	26.965	1.572	1.572	0.000	0.000	0.000	0.000
667	B	208	SER	0	0.027	0.004	30.552	-1.820	-1.820	0.000	0.000	0.000	0.000
668	B	209	GLN	0	0.021	-0.004	30.226	0.282	0.282	0.000	0.000	0.000	0.000
669	B	210	PRO	0	0.000	0.005	32.748	-1.098	-1.098	0.000	0.000	0.000	0.000
670	B	211	PHE	0	-0.022	0.000	33.534	-0.963	-0.963	0.000	0.000	0.000	0.000
671	B	212	MET	0	-0.098	-0.031	36.298	-1.281	-1.281	0.000	0.000	0.000	0.000
672	B	213	ARG	1	0.853	0.927	32.859	-32.492	-32.492	0.000	0.000	0.000	0.000
673	B	214	TRP	0	0.043	0.012	33.651	-0.945	-0.945	0.000	0.000	0.000	0.000
674	B	215	ARG	1	0.970	0.993	35.973	-28.986	-28.986	0.000	0.000	0.000	0.000
675	B	216	ASP	-1	-0.889	-0.948	38.789	27.696	27.696	0.000	0.000	0.000	0.000
676	B	217	ARG	1	0.786	0.865	33.547	-33.699	-33.699	0.000	0.000	0.000	0.000
677	B	218	PHE	0	0.013	-0.008	34.103	-0.594	-0.594	0.000	0.000	0.000	0.000
678	B	219	LEU	0	0.021	0.011	40.074	-0.466	-0.466	0.000	0.000	0.000	0.000
679	B	220	PHE	0	-0.010	-0.011	43.591	-0.703	-0.703	0.000	0.000	0.000	0.000
680	B	221	VAL	0	-0.010	-0.004	40.214	-0.529	-0.529	0.000	0.000	0.000	0.000
681	B	222	ALA	0	0.016	0.017	43.324	-0.324	-0.324	0.000	0.000	0.000	0.000
682	B	223	GLU	-1	-0.968	-0.976	44.842	23.186	23.186	0.000	0.000	0.000	0.000
683	B	224	ALA	0	-0.043	-0.026	45.581	-0.548	-0.548	0.000	0.000	0.000	0.000
684	B	225	ILE	0	0.013	0.000	42.024	-0.358	-0.358	0.000	0.000	0.000	0.000
685	B	226	TYR	0	-0.027	-0.024	45.994	-0.478	-0.478	0.000	0.000	0.000	0.000
686	B	227	LYS	1	0.915	0.975	49.764	-22.602	-22.602	0.000	0.000	0.000	0.000
687	B	228	ALA	0	0.036	0.008	48.926	-0.464	-0.464	0.000	0.000	0.000	0.000
688	B	229	GLN	0	0.029	0.031	48.583	0.152	0.152	0.000	0.000	0.000	0.000
689	B	230	ALA	0	-0.014	0.000	51.288	-0.360	-0.360	0.000	0.000	0.000	0.000
690	B	231	GLU	-1	-0.827	-0.873	54.156	21.586	21.586	0.000	0.000	0.000	0.000
691	B	232	THR	0	-0.025	-0.028	52.119	-0.274	-0.274	0.000	0.000	0.000	0.000
692	B	233	GLY	0	-0.008	0.004	54.527	-0.273	-0.273	0.000	0.000	0.000	0.000
693	B	234	GLU	-1	-0.784	-0.875	50.354	23.543	23.543	0.000	0.000	0.000	0.000
694	B	235	VAL	0	0.033	0.010	45.893	0.068	0.068	0.000	0.000	0.000	0.000
695	B	236	LYS	1	0.820	0.928	45.834	-24.516	-24.516	0.000	0.000	0.000	0.000
696	B	237	GLY	0	0.024	0.001	42.019	0.101	0.101	0.000	0.000	0.000	0.000
697	B	238	HIS	0	-0.017	0.003	37.559	-0.832	-0.832	0.000	0.000	0.000	0.000
698	B	239	TYR	0	-0.016	-0.018	34.384	-0.106	-0.106	0.000	0.000	0.000	0.000
699	B	240	LEU	0	-0.027	0.000	35.395	0.223	0.223	0.000	0.000	0.000	0.000
700	B	241	ASN	0	0.022	0.005	28.906	1.325	1.325	0.000	0.000	0.000	0.000
701	B	242	ALA	0	-0.016	-0.006	29.881	-0.441	-0.441	0.000	0.000	0.000	0.000
702	B	243	THR	0	-0.009	-0.007	24.437	1.281	1.281	0.000	0.000	0.000	0.000
703	B	244	ALA	0	-0.003	-0.008	25.336	-1.294	-1.294	0.000	0.000	0.000	0.000
704	B	245	GLY	0	0.033	0.016	22.948	1.669	1.669	0.000	0.000	0.000	0.000
705	B	246	THR	0	0.029	0.018	22.070	1.558	1.558	0.000	0.000	0.000	0.000
706	B	248	GLU	-1	-0.817	-0.889	24.996	43.739	43.739	0.000	0.000	0.000	0.000
707	B	249	GLU	-1	-0.856	-0.922	27.556	35.024	35.024	0.000	0.000	0.000	0.000
708	B	250	MET	0	-0.034	0.007	25.397	-0.884	-0.884	0.000	0.000	0.000	0.000
709	B	251	MET	0	0.002	-0.001	27.563	-1.662	-1.662	0.000	0.000	0.000	0.000
710	B	252	LYS	1	0.863	0.920	30.721	-36.606	-36.606	0.000	0.000	0.000	0.000
711	B	253	ARG	1	0.739	0.855	29.544	-38.997	-38.997	0.000	0.000	0.000	0.000
712	B	254	ALA	0	0.033	0.022	31.979	-1.006	-1.006	0.000	0.000	0.000	0.000
713	B	255	VAL	0	0.006	0.007	33.930	-0.920	-0.920	0.000	0.000	0.000	0.000
714	B	256	SMC	0	-0.053	-0.015	36.540	-0.985	-0.985	0.000	0.000	0.000	0.000
715	B	257	ALA	0	0.049	0.012	36.811	-0.843	-0.843	0.000	0.000	0.000	0.000
716	B	258	LYS	1	0.886	0.925	38.129	-30.692	-30.692	0.000	0.000	0.000	0.000
717	B	259	GLU	-1	-1.017	-1.012	39.892	28.319	28.319	0.000	0.000	0.000	0.000
718	B	260	LEU	0	-0.066	-0.024	40.903	-0.791	-0.791	0.000	0.000	0.000	0.000
719	B	261	GLY	0	0.007	0.015	43.174	-0.602	-0.602	0.000	0.000	0.000	0.000
720	B	262	VAL	0	-0.031	-0.012	39.945	-0.301	-0.301	0.000	0.000	0.000	0.000
721	B	263	PRO	0	0.038	0.012	41.054	0.543	0.543	0.000	0.000	0.000	0.000
722	B	264	ILE	0	-0.035	-0.018	35.895	0.384	0.384	0.000	0.000	0.000	0.000
723	B	265	ILE	0	0.013	0.019	31.768	-0.353	-0.353	0.000	0.000	0.000	0.000
724	B	266	MET	0	-0.049	-0.011	29.787	-0.337	-0.337	0.000	0.000	0.000	0.000
725	B	267	HIS	0	-0.033	-0.026	22.827	0.200	0.200	0.000	0.000	0.000	0.000
726	B	268	ASP	-1	-0.756	-0.893	23.889	42.110	42.110	0.000	0.000	0.000	0.000
727	B	269	TYR	0	-0.058	-0.040	21.643	1.465	1.465	0.000	0.000	0.000	0.000
728	B	270	LEU	0	-0.025	-0.003	17.769	2.223	2.223	0.000	0.000	0.000	0.000
729	B	271	THR	0	-0.038	-0.024	17.713	2.602	2.602	0.000	0.000	0.000	0.000
730	B	272	GLY	0	0.015	0.017	19.207	0.913	0.913	0.000	0.000	0.000	0.000
731	B	273	GLY	0	0.006	-0.005	17.842	2.017	2.017	0.000	0.000	0.000	0.000
732	B	274	PHE	0	0.062	0.009	16.361	-3.374	-3.374	0.000	0.000	0.000	0.000
733	B	275	THR	0	-0.006	0.019	17.317	-1.386	-1.386	0.000	0.000	0.000	0.000
734	B	276	ALA	0	0.014	-0.010	19.620	-2.294	-2.294	0.000	0.000	0.000	0.000
735	B	277	ASN	0	0.053	0.019	21.869	-3.031	-3.031	0.000	0.000	0.000	0.000
736	B	278	THR	0	0.007	0.014	21.540	-2.109	-2.109	0.000	0.000	0.000	0.000
737	B	279	SER	0	-0.018	-0.027	23.905	-0.816	-0.816	0.000	0.000	0.000	0.000
738	B	280	LEU	0	-0.020	-0.002	25.739	-1.872	-1.872	0.000	0.000	0.000	0.000
739	B	281	ALA	0	0.052	0.019	27.431	-1.805	-1.805	0.000	0.000	0.000	0.000
740	B	282	ILE	0	-0.006	-0.004	26.228	-1.314	-1.314	0.000	0.000	0.000	0.000
741	B	283	TYR	0	0.041	0.021	29.961	-1.636	-1.636	0.000	0.000	0.000	0.000
742	B	284	CYS	0	-0.040	-0.019	31.797	-1.391	-1.391	0.000	0.000	0.000	0.000
743	B	285	ARG	1	0.849	0.911	32.861	-36.297	-36.297	0.000	0.000	0.000	0.000
744	B	286	ASP	-1	-0.939	-0.964	33.407	33.671	33.671	0.000	0.000	0.000	0.000
745	B	287	ASN	0	-0.115	-0.054	35.265	-1.801	-1.801	0.000	0.000	0.000	0.000
746	B	288	GLY	0	-0.029	0.006	37.919	-0.744	-0.744	0.000	0.000	0.000	0.000
747	B	289	LEU	0	-0.015	-0.008	35.585	-0.560	-0.560	0.000	0.000	0.000	0.000
748	B	290	LEU	0	-0.021	-0.010	35.991	0.634	0.634	0.000	0.000	0.000	0.000
749	B	291	LEU	0	0.009	-0.010	28.583	0.086	0.086	0.000	0.000	0.000	0.000
750	B	292	HIS	0	-0.001	-0.010	31.407	-0.064	-0.064	0.000	0.000	0.000	0.000
751	B	293	ILE	0	0.012	0.007	25.734	0.635	0.635	0.000	0.000	0.000	0.000
752	B	294	HIS	0	0.064	0.019	27.082	0.478	0.478	0.000	0.000	0.000	0.000
753	B	295	ARG	1	0.772	0.855	23.993	-39.662	-39.662	0.000	0.000	0.000	0.000
754	B	296	ALA	0	0.031	0.013	23.305	1.318	1.318	0.000	0.000	0.000	0.000
755	B	297	MET	0	-0.006	-0.012	14.984	1.613	1.613	0.000	0.000	0.000	0.000
756	B	298	HIS	1	0.862	0.911	19.260	-43.790	-43.790	0.000	0.000	0.000	0.000
757	B	299	ALA	0	0.007	0.026	20.021	1.719	1.719	0.000	0.000	0.000	0.000
758	B	300	VAL	0	-0.024	0.004	15.942	0.100	0.100	0.000	0.000	0.000	0.000
759	B	301	ILE	0	-0.031	-0.023	14.914	2.711	2.711	0.000	0.000	0.000	0.000
760	B	302	ASP	-1	-0.806	-0.904	17.236	49.910	49.910	0.000	0.000	0.000	0.000
761	B	303	ARG	1	0.805	0.909	20.458	-43.949	-43.949	0.000	0.000	0.000	0.000
762	B	304	GLN	0	-0.026	-0.024	19.801	-2.364	-2.364	0.000	0.000	0.000	0.000
763	B	305	ARG	1	0.868	0.942	21.200	-42.147	-42.147	0.000	0.000	0.000	0.000
764	B	306	ASN	0	-0.016	-0.025	19.243	0.295	0.295	0.000	0.000	0.000	0.000
765	B	307	HIS	0	-0.024	-0.021	11.968	-0.355	-0.355	0.000	0.000	0.000	0.000
766	B	308	GLY	0	0.055	0.043	15.050	-1.969	-1.969	0.000	0.000	0.000	0.000
767	B	309	ILE	0	-0.030	-0.028	13.773	1.772	1.772	0.000	0.000	0.000	0.000
768	B	310	HIS	0	0.031	0.029	17.724	-1.228	-1.228	0.000	0.000	0.000	0.000
769	B	311	PHE	0	0.074	0.021	21.284	0.793	0.793	0.000	0.000	0.000	0.000
770	B	312	ARG	1	0.906	0.939	23.266	-46.123	-46.123	0.000	0.000	0.000	0.000
771	B	313	VAL	0	-0.021	0.006	18.203	-0.616	-0.616	0.000	0.000	0.000	0.000
772	B	314	LEU	0	-0.006	-0.007	17.637	0.558	0.558	0.000	0.000	0.000	0.000
773	B	315	ALA	0	-0.002	0.011	21.161	-0.539	-0.539	0.000	0.000	0.000	0.000
774	B	316	LYS	1	0.831	0.909	22.842	-46.852	-46.852	0.000	0.000	0.000	0.000
775	B	317	ALA	0	0.020	0.005	19.684	-0.405	-0.405	0.000	0.000	0.000	0.000
776	B	318	LEU	0	0.003	0.006	21.556	-0.024	-0.024	0.000	0.000	0.000	0.000
777	B	319	ARG	1	0.778	0.892	24.129	-38.513	-38.513	0.000	0.000	0.000	0.000
778	B	320	MET	0	-0.015	-0.010	21.004	-0.880	-0.880	0.000	0.000	0.000	0.000
779	B	321	SER	0	-0.055	-0.030	21.875	-0.679	-0.679	0.000	0.000	0.000	0.000
780	B	322	GLY	0	0.035	0.005	23.838	-0.660	-0.660	0.000	0.000	0.000	0.000
781	B	323	GLY	0	0.034	-0.011	27.300	0.747	0.747	0.000	0.000	0.000	0.000
782	B	324	ASP	-1	-0.736	-0.852	29.696	34.181	34.181	0.000	0.000	0.000	0.000
783	B	325	HIS	1	0.748	0.860	32.208	-33.646	-33.646	0.000	0.000	0.000	0.000
784	B	326	LEU	0	0.048	0.026	25.962	1.128	1.128	0.000	0.000	0.000	0.000
785	B	327	HIS	0	0.195	0.179	28.703	-1.269	-1.269	0.000	0.000	0.000	0.000
786	B	328	SER	0	0.014	-0.008	28.813	1.149	1.149	0.000	0.000	0.000	0.000
787	B	329	GLY	0	0.032	0.022	30.866	0.455	0.455	0.000	0.000	0.000	0.000
788	B	330	THR	0	0.016	0.002	31.810	-0.796	-0.796	0.000	0.000	0.000	0.000
789	B	331	VAL	0	0.030	0.045	34.126	-0.975	-0.975	0.000	0.000	0.000	0.000
790	B	332	VAL	0	-0.016	-0.023	35.565	0.001	0.001	0.000	0.000	0.000	0.000
791	B	333	GLY	0	-0.001	0.014	36.630	-0.613	-0.613	0.000	0.000	0.000	0.000
792	B	334	LYS	1	0.772	0.878	32.917	-33.397	-33.397	0.000	0.000	0.000	0.000
793	B	335	LEU	0	-0.001	0.003	28.736	0.534	0.534	0.000	0.000	0.000	0.000
794	B	336	GLU	-1	-0.784	-0.884	27.968	39.876	39.876	0.000	0.000	0.000	0.000
795	B	337	GLY	0	0.034	0.005	29.628	0.869	0.869	0.000	0.000	0.000	0.000
796	B	338	GLU	-1	-0.844	-0.918	30.990	34.040	34.040	0.000	0.000	0.000	0.000
797	B	339	ARG	1	0.902	0.941	33.008	-29.186	-29.186	0.000	0.000	0.000	0.000
798	B	340	GLU	-1	-0.860	-0.930	34.779	32.054	32.054	0.000	0.000	0.000	0.000
799	B	341	VAL	0	-0.021	-0.014	28.533	0.584	0.584	0.000	0.000	0.000	0.000
800	B	342	THR	0	-0.069	-0.047	30.928	0.872	0.872	0.000	0.000	0.000	0.000
801	B	343	LEU	0	-0.024	-0.016	32.426	-0.020	-0.020	0.000	0.000	0.000	0.000
802	B	344	GLY	0	0.037	0.034	31.784	-0.205	-0.205	0.000	0.000	0.000	0.000
803	B	345	PHE	0	-0.018	-0.024	28.092	0.551	0.551	0.000	0.000	0.000	0.000
804	B	346	VAL	0	0.001	-0.001	29.976	0.372	0.372	0.000	0.000	0.000	0.000
805	B	347	ASP	-1	-0.840	-0.909	32.944	32.856	32.856	0.000	0.000	0.000	0.000
806	B	348	LEU	0	-0.078	-0.035	27.193	0.517	0.517	0.000	0.000	0.000	0.000
807	B	349	MET	0	-0.083	-0.020	29.150	0.764	0.764	0.000	0.000	0.000	0.000
808	B	350	ARG	1	0.820	0.907	30.937	-31.999	-31.999	0.000	0.000	0.000	0.000
809	B	351	ASP	-1	-0.852	-0.918	34.282	31.967	31.967	0.000	0.000	0.000	0.000
810	B	352	ASP	-1	-0.911	-0.955	33.607	34.786	34.786	0.000	0.000	0.000	0.000
811	B	353	TYR	0	-0.001	-0.011	33.924	1.205	1.205	0.000	0.000	0.000	0.000
812	B	354	VAL	0	0.027	0.029	31.792	-0.601	-0.601	0.000	0.000	0.000	0.000
813	B	355	GLU	-1	-0.939	-0.974	32.476	33.820	33.820	0.000	0.000	0.000	0.000
814	B	356	LYS	1	0.918	0.953	30.180	-39.138	-39.138	0.000	0.000	0.000	0.000
815	B	357	ASP	-1	-0.802	-0.900	31.887	32.932	32.932	0.000	0.000	0.000	0.000
816	B	358	ARG	1	0.836	0.901	28.192	-42.063	-42.063	0.000	0.000	0.000	0.000
817	B	359	SER	0	-0.094	-0.034	31.819	0.516	0.516	0.000	0.000	0.000	0.000
818	B	360	ARG	1	1.011	0.998	32.904	-32.764	-32.764	0.000	0.000	0.000	0.000
819	B	361	GLY	0	-0.045	-0.031	28.812	0.804	0.804	0.000	0.000	0.000	0.000
820	B	362	ILE	0	-0.030	0.008	27.537	1.872	1.872	0.000	0.000	0.000	0.000
821	B	363	TYR	0	-0.044	-0.047	25.245	-0.835	-0.835	0.000	0.000	0.000	0.000
822	B	364	PHE	0	-0.052	-0.031	22.407	-0.227	-0.227	0.000	0.000	0.000	0.000
823	B	365	THR	0	0.048	0.028	27.929	-0.189	-0.189	0.000	0.000	0.000	0.000
824	B	366	GLN	0	-0.044	-0.017	26.295	2.853	2.853	0.000	0.000	0.000	0.000
825	B	367	ASP	-1	-0.852	-0.930	29.676	34.736	34.736	0.000	0.000	0.000	0.000
826	B	368	TRP	0	-0.020	-0.025	25.688	2.093	2.093	0.000	0.000	0.000	0.000
827	B	369	SMC	0	-0.046	-0.015	31.187	0.240	0.240	0.000	0.000	0.000	0.000
828	B	370	SER	0	-0.036	-0.027	33.521	-0.238	-0.238	0.000	0.000	0.000	0.000
829	B	371	MET	0	-0.056	0.009	27.308	-0.092	-0.092	0.000	0.000	0.000	0.000
830	B	372	PRO	0	0.027	0.022	32.542	-0.201	-0.201	0.000	0.000	0.000	0.000
831	B	373	GLY	0	0.050	0.034	32.504	1.108	1.108	0.000	0.000	0.000	0.000
832	B	374	VAL	0	-0.029	-0.030	29.427	-0.494	-0.494	0.000	0.000	0.000	0.000
833	B	375	MET	0	-0.003	-0.005	32.781	-0.413	-0.413	0.000	0.000	0.000	0.000
834	B	376	PRO	0	0.002	0.002	33.004	0.801	0.801	0.000	0.000	0.000	0.000
835	B	377	VAL	0	-0.024	-0.011	32.884	-1.157	-1.157	0.000	0.000	0.000	0.000
836	B	378	ALA	0	0.037	0.031	33.223	0.949	0.949	0.000	0.000	0.000	0.000
837	B	379	SER	0	-0.002	-0.046	33.416	-1.218	-1.218	0.000	0.000	0.000	0.000
838	B	380	GLY	0	0.065	0.033	33.520	0.910	0.910	0.000	0.000	0.000	0.000
839	B	381	GLY	0	-0.039	-0.031	35.006	0.081	0.081	0.000	0.000	0.000	0.000
840	B	382	ILE	0	-0.060	-0.012	37.756	-0.489	-0.489	0.000	0.000	0.000	0.000
841	B	383	HIS	0	0.030	-0.016	40.239	-0.578	-0.578	0.000	0.000	0.000	0.000
842	B	384	VAL	0	0.055	0.016	43.975	0.103	0.103	0.000	0.000	0.000	0.000
843	B	385	TRP	0	-0.088	-0.044	46.911	-0.439	-0.439	0.000	0.000	0.000	0.000
844	B	386	HIS	0	0.037	0.026	41.798	-0.114	-0.114	0.000	0.000	0.000	0.000
845	B	387	MET	0	-0.027	0.012	44.090	0.505	0.505	0.000	0.000	0.000	0.000
846	B	388	PRO	0	0.022	0.001	45.440	0.181	0.181	0.000	0.000	0.000	0.000
847	B	389	ALA	0	0.027	0.014	42.768	0.100	0.100	0.000	0.000	0.000	0.000
848	B	390	LEU	0	-0.001	0.005	39.198	0.512	0.512	0.000	0.000	0.000	0.000
849	B	391	VAL	0	0.014	-0.006	41.792	0.412	0.412	0.000	0.000	0.000	0.000
850	B	392	GLU	-1	-0.928	-0.952	43.778	27.949	27.949	0.000	0.000	0.000	0.000
851	B	393	ILE	0	-0.027	-0.004	37.744	0.247	0.247	0.000	0.000	0.000	0.000
852	B	394	PHE	0	-0.036	-0.015	34.966	0.499	0.499	0.000	0.000	0.000	0.000
853	B	395	GLY	0	0.029	0.030	40.072	0.184	0.184	0.000	0.000	0.000	0.000
854	B	396	ASP	-1	-0.833	-0.915	42.707	26.178	26.178	0.000	0.000	0.000	0.000
855	B	397	ASP	-1	-0.885	-0.937	39.505	29.017	29.017	0.000	0.000	0.000	0.000
856	B	398	ALA	0	0.047	0.012	38.014	0.964	0.964	0.000	0.000	0.000	0.000
857	B	399	CYS	0	-0.063	-0.009	37.270	-0.983	-0.983	0.000	0.000	0.000	0.000
858	B	400	LEU	0	-0.007	0.002	37.692	0.704	0.704	0.000	0.000	0.000	0.000
859	B	401	GLN	0	0.046	0.003	34.441	-0.727	-0.727	0.000	0.000	0.000	0.000
860	B	402	PHE	0	0.009	-0.001	38.659	0.269	0.269	0.000	0.000	0.000	0.000
861	B	403	GLY	0	0.049	0.035	38.634	-0.552	-0.552	0.000	0.000	0.000	0.000
862	B	404	GLY	0	0.043	-0.007	39.330	-0.802	-0.802	0.000	0.000	0.000	0.000
863	B	405	GLY	0	-0.029	-0.012	41.295	-0.683	-0.683	0.000	0.000	0.000	0.000
864	B	406	THR	0	-0.051	-0.035	43.275	-0.788	-0.788	0.000	0.000	0.000	0.000
865	B	407	LEU	0	-0.023	-0.030	41.420	-0.678	-0.678	0.000	0.000	0.000	0.000
866	B	408	GLY	0	0.028	0.018	44.816	-0.243	-0.243	0.000	0.000	0.000	0.000
867	B	409	HIS	0	-0.030	-0.003	45.841	-0.311	-0.311	0.000	0.000	0.000	0.000
868	B	410	PRO	0	0.002	-0.011	49.083	-0.063	-0.063	0.000	0.000	0.000	0.000
869	B	411	TRP	0	-0.049	-0.053	52.093	-0.442	-0.442	0.000	0.000	0.000	0.000
870	B	412	GLY	0	0.029	0.032	50.255	-0.266	-0.266	0.000	0.000	0.000	0.000
871	B	413	ASN	0	0.037	0.012	45.660	-0.060	-0.060	0.000	0.000	0.000	0.000
872	B	414	ALA	0	0.048	0.043	48.710	0.131	0.131	0.000	0.000	0.000	0.000
873	B	415	PRO	0	-0.003	-0.020	51.359	-0.015	-0.015	0.000	0.000	0.000	0.000
874	B	416	GLY	0	0.048	0.018	48.705	-0.024	-0.024	0.000	0.000	0.000	0.000
875	B	417	ALA	0	-0.029	-0.010	47.600	0.281	0.281	0.000	0.000	0.000	0.000
876	B	418	ALA	0	0.013	0.019	48.573	0.090	0.090	0.000	0.000	0.000	0.000
877	B	419	ALA	0	-0.031	-0.005	50.353	-0.110	-0.110	0.000	0.000	0.000	0.000
878	B	420	ASN	0	0.018	0.000	45.564	-0.093	-0.093	0.000	0.000	0.000	0.000
879	B	421	ARG	1	0.749	0.872	48.221	-23.753	-23.753	0.000	0.000	0.000	0.000
880	B	422	VAL	0	-0.008	-0.010	49.779	-0.131	-0.131	0.000	0.000	0.000	0.000
881	B	423	ALA	0	-0.017	-0.011	49.100	-0.141	-0.141	0.000	0.000	0.000	0.000
882	B	424	LEU	0	0.022	0.006	45.526	-0.019	-0.019	0.000	0.000	0.000	0.000
883	B	425	GLU	-1	-0.727	-0.870	48.806	22.939	22.939	0.000	0.000	0.000	0.000
884	B	426	ALA	0	-0.003	0.007	51.910	-0.306	-0.306	0.000	0.000	0.000	0.000
885	B	427	CYS	0	-0.042	-0.022	49.287	-0.157	-0.157	0.000	0.000	0.000	0.000
886	B	428	THR	0	0.006	0.005	49.178	0.152	0.152	0.000	0.000	0.000	0.000
887	B	429	GLN	0	-0.013	-0.007	50.921	-0.338	-0.338	0.000	0.000	0.000	0.000
888	B	430	ALA	0	-0.020	-0.012	53.667	-0.226	-0.226	0.000	0.000	0.000	0.000
889	B	431	ARG	1	0.831	0.893	47.006	-25.326	-25.326	0.000	0.000	0.000	0.000
890	B	432	ASN	0	-0.022	-0.016	52.171	0.334	0.334	0.000	0.000	0.000	0.000
891	B	433	GLU	-1	-0.954	-0.981	54.388	20.624	20.624	0.000	0.000	0.000	0.000
892	B	434	GLY	0	-0.014	0.005	55.529	-0.356	-0.356	0.000	0.000	0.000	0.000
893	B	435	ARG	1	0.843	0.934	55.040	-21.419	-21.419	0.000	0.000	0.000	0.000
894	B	436	ASP	-1	-0.760	-0.859	50.518	24.889	24.889	0.000	0.000	0.000	0.000
895	B	437	LEU	0	0.002	-0.015	48.275	-0.158	-0.158	0.000	0.000	0.000	0.000
896	B	438	ALA	0	0.001	0.002	47.371	0.097	0.097	0.000	0.000	0.000	0.000
897	B	439	ARG	1	0.797	0.881	48.762	-24.378	-24.378	0.000	0.000	0.000	0.000
898	B	440	GLU	-1	-0.831	-0.923	52.247	21.423	21.423	0.000	0.000	0.000	0.000
899	B	441	GLY	0	0.041	0.025	50.397	-0.233	-0.233	0.000	0.000	0.000	0.000
900	B	442	GLY	0	-0.008	-0.020	51.429	-0.068	-0.068	0.000	0.000	0.000	0.000
901	B	443	ASP	-1	-0.856	-0.929	52.877	21.161	21.161	0.000	0.000	0.000	0.000
902	B	444	VAL	0	-0.037	0.002	53.137	-0.427	-0.427	0.000	0.000	0.000	0.000
903	B	445	ILE	0	0.044	0.021	50.079	-0.275	-0.275	0.000	0.000	0.000	0.000
904	B	446	ARG	1	0.901	0.934	53.589	-22.318	-22.318	0.000	0.000	0.000	0.000
905	B	447	SER	0	-0.087	-0.048	56.611	-0.474	-0.474	0.000	0.000	0.000	0.000
906	B	448	ALA	0	0.030	0.025	54.977	-0.321	-0.321	0.000	0.000	0.000	0.000
907	B	449	CYS	0	-0.092	-0.067	50.468	0.289	0.289	0.000	0.000	0.000	0.000
908	B	450	LYS	1	0.917	0.960	56.935	-20.172	-20.172	0.000	0.000	0.000	0.000
909	B	451	TRP	0	-0.019	0.007	57.646	-0.256	-0.256	0.000	0.000	0.000	0.000
910	B	452	SER	0	0.011	0.019	56.724	-0.065	-0.065	0.000	0.000	0.000	0.000
911	B	453	PRO	0	0.042	0.011	57.757	0.221	0.221	0.000	0.000	0.000	0.000
912	B	454	GLU	-1	-0.818	-0.916	54.198	21.178	21.178	0.000	0.000	0.000	0.000
913	B	455	LEU	0	0.030	0.014	51.643	0.412	0.412	0.000	0.000	0.000	0.000
914	B	456	ALA	0	-0.007	-0.005	53.594	0.315	0.315	0.000	0.000	0.000	0.000
915	B	457	ALA	0	-0.041	-0.015	54.697	0.132	0.132	0.000	0.000	0.000	0.000
916	B	458	ALA	0	0.005	0.004	49.595	0.257	0.257	0.000	0.000	0.000	0.000
917	B	460	GLU	-1	-0.941	-0.973	51.889	21.810	21.810	0.000	0.000	0.000	0.000
918	B	461	VAL	0	-0.020	0.005	48.383	0.105	0.105	0.000	0.000	0.000	0.000
919	B	462	TRP	0	-0.021	-0.025	45.276	0.222	0.222	0.000	0.000	0.000	0.000
920	B	463	LYS	1	0.931	0.975	47.608	-21.774	-21.774	0.000	0.000	0.000	0.000
921	B	464	GLU	-1	-0.938	-0.974	48.727	23.588	23.588	0.000	0.000	0.000	0.000
922	B	465	ILE	0	-0.069	-0.008	42.625	0.397	0.397	0.000	0.000	0.000	0.000
923	B	466	LYS	1	0.965	0.978	42.560	-25.895	-25.895	0.000	0.000	0.000	0.000
924	B	467	PHE	0	0.002	0.001	37.034	0.264	0.264	0.000	0.000	0.000	0.000
925	B	468	GLU	-1	-0.951	-0.976	38.315	28.413	28.413	0.000	0.000	0.000	0.000
926	B	469	PHE	0	0.030	0.004	34.439	-0.153	-0.153	0.000	0.000	0.000	0.000
927	B	470	ASP	-1	-0.869	-0.934	32.648	35.835	35.835	0.000	0.000	0.000	0.000
928	B	471	THR	0	-0.032	-0.014	30.371	0.412	0.412	0.000	0.000	0.000	0.000
929	B	472	ILE	0	-0.019	-0.016	25.372	-0.148	-0.148	0.000	0.000	0.000	0.000
930	B	473	ASP	-1	-0.832	-0.909	25.367	46.425	46.425	0.000	0.000	0.000	0.000
931	B	474	LYS	1	0.880	0.948	27.001	-37.521	-37.521	0.000	0.000	0.000	0.000
932	B	475	LEU	0	0.011	0.012	28.048	1.455	1.455	0.000	0.000	0.000	0.000
933	I	1	MME	1	0.818	0.908	19.333	-49.280	-49.280	0.000	0.000	0.000	0.000
934	I	2	MET	0	0.026	0.030	20.984	-1.890	-1.890	0.000	0.000	0.000	0.000
935	I	3	VAL	0	0.039	0.011	20.634	2.410	2.410	0.000	0.000	0.000	0.000
936	I	4	TRP	0	0.091	0.050	19.519	-1.901	-1.901	0.000	0.000	0.000	0.000
937	I	5	THR	0	0.004	0.005	21.619	-0.042	-0.042	0.000	0.000	0.000	0.000
938	I	6	PRO	0	0.024	0.017	23.750	0.663	0.663	0.000	0.000	0.000	0.000
939	I	7	VAL	0	-0.039	-0.017	24.867	-0.877	-0.877	0.000	0.000	0.000	0.000
940	I	8	ASN	0	-0.051	-0.027	28.521	0.180	0.180	0.000	0.000	0.000	0.000
941	I	9	ASN	0	0.020	-0.004	23.407	-1.819	-1.819	0.000	0.000	0.000	0.000
942	I	10	LYS	1	0.932	0.986	24.707	-39.905	-39.905	0.000	0.000	0.000	0.000
943	I	11	MET	0	-0.107	-0.044	21.593	-0.941	-0.941	0.000	0.000	0.000	0.000
944	I	12	PHE	0	-0.022	-0.042	24.424	-1.185	-1.185	0.000	0.000	0.000	0.000
945	I	13	GLU	-1	-0.768	-0.872	20.773	56.429	56.429	0.000	0.000	0.000	0.000
946	I	14	THR	0	-0.028	-0.010	21.574	1.215	1.215	0.000	0.000	0.000	0.000
947	I	15	PHE	0	-0.013	-0.005	21.821	-2.270	-2.270	0.000	0.000	0.000	0.000
948	I	16	SER	0	-0.059	-0.033	22.939	-1.291	-1.291	0.000	0.000	0.000	0.000
949	I	17	TYR	0	0.002	-0.025	18.637	-0.456	-0.456	0.000	0.000	0.000	0.000
950	I	18	LEU	0	-0.053	-0.018	21.180	0.502	0.502	0.000	0.000	0.000	0.000
951	I	19	PRO	0	-0.059	-0.035	23.894	-1.187	-1.187	0.000	0.000	0.000	0.000
952	I	20	PRO	0	-0.032	-0.020	27.475	0.240	0.240	0.000	0.000	0.000	0.000
953	I	21	LEU	0	0.009	0.017	27.475	-0.348	-0.348	0.000	0.000	0.000	0.000
954	I	22	THR	0	0.017	0.006	30.982	-1.075	-1.075	0.000	0.000	0.000	0.000
955	I	23	ASP	-1	-0.878	-0.955	34.194	32.358	32.358	0.000	0.000	0.000	0.000
956	I	24	GLU	-1	-0.987	-0.991	35.617	33.717	33.717	0.000	0.000	0.000	0.000
957	I	25	GLN	0	0.063	0.031	29.402	-0.035	-0.035	0.000	0.000	0.000	0.000
958	I	26	ILE	0	-0.005	-0.005	31.802	0.983	0.983	0.000	0.000	0.000	0.000
959	I	27	ALA	0	-0.019	-0.014	33.469	0.279	0.279	0.000	0.000	0.000	0.000
960	I	28	ALA	0	0.058	0.042	31.814	0.003	0.003	0.000	0.000	0.000	0.000
961	I	29	GLN	0	0.021	0.008	27.065	1.445	1.445	0.000	0.000	0.000	0.000
962	I	30	VAL	0	-0.035	-0.020	31.189	0.268	0.268	0.000	0.000	0.000	0.000
963	I	31	ASP	-1	-0.892	-0.952	34.474	34.017	34.017	0.000	0.000	0.000	0.000
964	I	32	TYR	0	-0.012	0.005	24.411	0.095	0.095	0.000	0.000	0.000	0.000
965	I	33	ILE	0	-0.016	-0.010	30.784	0.465	0.465	0.000	0.000	0.000	0.000
966	I	34	VAL	0	-0.046	-0.023	31.908	-0.288	-0.288	0.000	0.000	0.000	0.000
967	I	35	ALA	0	-0.044	-0.022	32.299	-0.474	-0.474	0.000	0.000	0.000	0.000
968	I	36	ASN	0	-0.063	-0.037	28.330	0.500	0.500	0.000	0.000	0.000	0.000
969	I	37	GLY	0	-0.049	-0.003	31.039	0.183	0.183	0.000	0.000	0.000	0.000
970	I	38	TRP	0	-0.012	0.000	25.685	-0.191	-0.191	0.000	0.000	0.000	0.000
971	I	39	ILE	0	-0.043	-0.031	32.050	-1.274	-1.274	0.000	0.000	0.000	0.000
972	I	40	PRO	0	0.035	0.032	33.468	0.848	0.848	0.000	0.000	0.000	0.000
973	I	41	CYS	0	-0.024	-0.010	34.620	-1.340	-1.340	0.000	0.000	0.000	0.000
974	I	42	LEU	0	0.009	0.021	35.088	0.724	0.724	0.000	0.000	0.000	0.000
975	I	43	GLU	-1	-0.841	-0.904	32.706	37.726	37.726	0.000	0.000	0.000	0.000
976	I	44	PHE	0	0.000	-0.022	35.857	0.287	0.287	0.000	0.000	0.000	0.000
977	I	45	ALA	0	0.032	0.017	35.276	-0.163	-0.163	0.000	0.000	0.000	0.000
978	I	46	GLU	-1	-0.919	-0.958	37.365	29.915	29.915	0.000	0.000	0.000	0.000
979	I	47	ALA	0	0.019	-0.015	36.361	0.796	0.796	0.000	0.000	0.000	0.000
980	I	48	ASP	-1	-0.903	-0.944	35.603	32.139	32.139	0.000	0.000	0.000	0.000
981	I	49	LYS	1	0.877	0.939	35.561	-31.707	-31.707	0.000	0.000	0.000	0.000
982	I	50	ALA	0	-0.024	0.008	32.633	0.649	0.649	0.000	0.000	0.000	0.000
983	I	51	TYR	0	0.010	-0.004	27.648	1.517	1.517	0.000	0.000	0.000	0.000
984	I	52	VAL	0	0.004	0.014	25.343	-1.027	-1.027	0.000	0.000	0.000	0.000
985	I	53	SER	0	-0.101	-0.115	28.557	0.040	0.040	0.000	0.000	0.000	0.000
986	I	54	ASN	0	0.033	-0.001	27.364	1.421	1.421	0.000	0.000	0.000	0.000
987	I	55	GLU	-1	-0.826	-0.841	30.791	35.023	35.023	0.000	0.000	0.000	0.000
988	I	56	SER	0	-0.034	-0.055	33.919	-1.265	-1.265	0.000	0.000	0.000	0.000
989	I	57	ALA	0	0.003	0.000	30.983	-0.508	-0.508	0.000	0.000	0.000	0.000
990	I	58	ILE	0	-0.052	-0.011	33.016	-0.228	-0.228	0.000	0.000	0.000	0.000
991	I	59	ARG	1	0.896	0.939	36.116	-30.730	-30.730	0.000	0.000	0.000	0.000
992	I	60	PHE	0	-0.065	-0.010	30.615	-0.387	-0.387	0.000	0.000	0.000	0.000
993	I	61	GLY	0	0.050	0.032	33.686	-0.454	-0.454	0.000	0.000	0.000	0.000
994	I	62	SER	0	0.006	-0.010	28.505	0.105	0.105	0.000	0.000	0.000	0.000
995	I	63	VAL	0	-0.019	-0.027	28.020	1.067	1.067	0.000	0.000	0.000	0.000
996	I	64	SER	0	0.036	0.021	26.281	-0.072	-0.072	0.000	0.000	0.000	0.000
997	I	65	CYS	0	-0.030	0.024	21.757	0.259	0.259	0.000	0.000	0.000	0.000
998	I	66	LEU	0	-0.018	0.000	19.807	-0.646	-0.646	0.000	0.000	0.000	0.000
999	I	67	TYR	0	-0.100	-0.048	23.580	-0.964	-0.964	0.000	0.000	0.000	0.000
1000	I	68	TYR	0	0.035	-0.004	22.069	1.117	1.117	0.000	0.000	0.000	0.000
1001	I	69	ASP	-1	-0.767	-0.839	28.414	35.730	35.730	0.000	0.000	0.000	0.000
1002	I	70	ASN	0	-0.011	-0.030	30.412	0.270	0.270	0.000	0.000	0.000	0.000
1003	I	71	ARG	1	0.876	0.946	25.432	-44.061	-44.061	0.000	0.000	0.000	0.000
1004	I	72	TYR	0	-0.001	0.004	29.939	0.115	0.115	0.000	0.000	0.000	0.000
1005	I	73	TRP	0	-0.032	-0.011	31.406	-0.448	-0.448	0.000	0.000	0.000	0.000
1006	I	74	THR	0	-0.027	-0.015	35.287	-0.496	-0.496	0.000	0.000	0.000	0.000
1007	I	75	MET	0	0.029	0.026	36.823	0.034	0.034	0.000	0.000	0.000	0.000
1008	I	76	TRP	0	-0.033	-0.032	39.155	-1.177	-1.177	0.000	0.000	0.000	0.000
1009	I	77	LYS	1	0.778	0.884	41.177	-27.404	-27.404	0.000	0.000	0.000	0.000
1010	I	78	LEU	0	0.027	0.003	40.927	0.078	0.078	0.000	0.000	0.000	0.000
1011	I	79	PRO	0	0.036	0.011	36.381	0.031	0.031	0.000	0.000	0.000	0.000
1012	I	80	MET	0	-0.036	-0.010	38.164	-0.676	-0.676	0.000	0.000	0.000	0.000
1013	I	81	PHE	0	0.043	0.000	36.564	0.478	0.478	0.000	0.000	0.000	0.000
1014	I	82	GLY	0	-0.021	-0.007	38.876	-0.738	-0.738	0.000	0.000	0.000	0.000
1015	I	83	CYS	0	-0.079	-0.016	39.361	-0.652	-0.652	0.000	0.000	0.000	0.000
1016	I	84	ARG	1	1.007	0.985	38.614	-30.107	-30.107	0.000	0.000	0.000	0.000
1017	I	85	ASP	-1	-0.872	-0.944	40.161	28.540	28.540	0.000	0.000	0.000	0.000
1018	I	86	PRO	0	0.113	0.049	38.531	-0.127	-0.127	0.000	0.000	0.000	0.000
1019	I	87	MET	0	0.013	-0.001	40.004	0.179	0.179	0.000	0.000	0.000	0.000
1020	I	88	GLN	0	-0.052	-0.029	42.781	-0.336	-0.336	0.000	0.000	0.000	0.000
1021	I	89	VAL	0	0.035	0.022	36.991	-0.248	-0.248	0.000	0.000	0.000	0.000
1022	I	90	LEU	0	0.033	0.015	37.720	-0.063	-0.063	0.000	0.000	0.000	0.000
1023	I	91	ARG	1	0.929	0.960	40.821	-27.567	-27.567	0.000	0.000	0.000	0.000
1024	I	92	GLU	-1	-0.785	-0.878	41.585	27.722	27.722	0.000	0.000	0.000	0.000
1025	I	93	ILE	0	0.038	0.032	36.592	-0.061	-0.061	0.000	0.000	0.000	0.000
1026	I	94	VAL	0	-0.016	0.009	40.315	-0.260	-0.260	0.000	0.000	0.000	0.000
1027	I	95	ALA	0	-0.036	-0.025	43.352	-0.417	-0.417	0.000	0.000	0.000	0.000
1028	I	96	CYS	0	-0.040	-0.010	40.699	-0.171	-0.171	0.000	0.000	0.000	0.000
1029	I	97	THR	0	0.018	-0.016	39.311	-0.388	-0.388	0.000	0.000	0.000	0.000
1030	I	98	LYS	1	0.913	0.968	42.093	-25.395	-25.395	0.000	0.000	0.000	0.000
1031	I	99	ALA	0	-0.060	-0.027	45.615	-0.533	-0.533	0.000	0.000	0.000	0.000
1032	I	100	PHE	0	-0.008	-0.004	42.264	-0.405	-0.405	0.000	0.000	0.000	0.000
1033	I	101	PRO	0	0.025	0.019	42.009	0.801	0.801	0.000	0.000	0.000	0.000
1034	I	102	ASP	-1	-0.987	-0.992	41.735	28.262	28.262	0.000	0.000	0.000	0.000
1035	I	103	ALA	0	-0.024	-0.006	39.240	0.380	0.380	0.000	0.000	0.000	0.000
1036	I	104	TYR	0	0.009	-0.001	32.284	-0.073	-0.073	0.000	0.000	0.000	0.000
1037	I	105	VAL	0	0.007	0.003	35.234	-0.392	-0.392	0.000	0.000	0.000	0.000
1038	I	106	ARG	1	0.847	0.921	29.805	-39.460	-39.460	0.000	0.000	0.000	0.000
1039	I	107	LEU	0	-0.012	0.007	32.123	-1.216	-1.216	0.000	0.000	0.000	0.000
1040	I	108	VAL	0	0.034	0.018	30.200	1.472	1.472	0.000	0.000	0.000	0.000
1041	I	109	ALA	0	0.018	-0.005	29.803	-1.379	-1.379	0.000	0.000	0.000	0.000
1042	I	110	PHE	0	-0.014	-0.005	29.014	1.509	1.509	0.000	0.000	0.000	0.000
1043	I	111	ASP	-1	-0.777	-0.890	26.602	42.410	42.410	0.000	0.000	0.000	0.000
1044	I	112	ASN	0	-0.031	-0.044	28.881	0.894	0.894	0.000	0.000	0.000	0.000
1045	I	113	GLN	0	-0.018	0.003	28.385	-1.512	-1.512	0.000	0.000	0.000	0.000
1046	I	114	LYS	1	0.917	0.968	20.828	-53.185	-53.185	0.000	0.000	0.000	0.000
1047	I	115	GLN	0	-0.055	-0.015	25.838	0.573	0.573	0.000	0.000	0.000	0.000
1048	I	116	VAL	0	0.032	0.016	23.053	0.724	0.724	0.000	0.000	0.000	0.000
1049	I	117	GLN	0	-0.018	-0.008	26.327	-0.513	-0.513	0.000	0.000	0.000	0.000
1050	I	118	ILE	0	-0.022	-0.015	23.513	2.161	2.161	0.000	0.000	0.000	0.000
1051	I	119	MET	0	-0.021	-0.018	24.462	1.310	1.310	0.000	0.000	0.000	0.000
1052	I	120	GLY	0	0.082	0.025	26.379	-1.372	-1.372	0.000	0.000	0.000	0.000
1053	I	121	PHE	0	-0.021	0.001	26.247	1.535	1.535	0.000	0.000	0.000	0.000
1054	I	122	LEU	0	-0.045	-0.022	28.170	-1.514	-1.514	0.000	0.000	0.000	0.000
1055	I	123	VAL	0	-0.008	-0.009	30.526	0.128	0.128	0.000	0.000	0.000	0.000
1056	I	124	GLN	0	-0.054	-0.033	33.756	-1.270	-1.270	0.000	0.000	0.000	0.000
1057	I	125	ARG	1	0.943	0.984	29.123	-37.832	-37.832	0.000	0.000	0.000	0.000
1058	I	126	PRO	0	0.035	0.034	35.334	-0.638	-0.638	0.000	0.000	0.000	0.000
1059	I	127	LYS	1	0.985	0.964	37.532	-28.019	-28.019	0.000	0.000	0.000	0.000
1060	I	128	THR	0	-0.024	-0.008	39.638	0.211	0.211	0.000	0.000	0.000	0.000
1061	I	129	ALA	0	0.003	0.022	34.403	-0.008	-0.008	0.000	0.000	0.000	0.000
1062	I	130	ARG	1	0.944	0.951	35.425	-30.131	-30.131	0.000	0.000	0.000	0.000
1063	I	131	ASP	-1	-0.902	-0.945	31.110	37.435	37.435	0.000	0.000	0.000	0.000
1064	I	132	PHE	0	0.020	0.016	28.982	1.460	1.460	0.000	0.000	0.000	0.000
1065	I	133	GLN	0	0.017	-0.004	27.263	-1.802	-1.802	0.000	0.000	0.000	0.000
1066	I	134	PRO	0	-0.010	-0.004	28.328	0.771	0.771	0.000	0.000	0.000	0.000
1067	I	135	ALA	0	0.079	0.025	25.957	0.592	0.592	0.000	0.000	0.000	0.000
1068	I	136	ASN	0	0.005	-0.001	25.859	1.221	1.221	0.000	0.000	0.000	0.000
1069	I	137	LYS	1	0.852	0.929	28.156	-36.869	-36.869	0.000	0.000	0.000	0.000
1070	I	138	ARG	1	0.905	0.989	23.236	-46.486	-46.486	0.000	0.000	0.000	0.000
1071	I	139	SER	0	-0.021	-0.025	22.317	0.530	0.530	0.000	0.000	0.000	0.000
1072	I	140	VAL	0	-0.045	-0.006	24.360	-1.862	-1.862	0.000	0.000	0.000	0.000
1073	J	1	MME	1	0.833	0.913	56.560	-20.392	-20.392	0.000	0.000	0.000	0.000
1074	J	2	MET	0	0.026	0.030	58.488	-0.284	-0.284	0.000	0.000	0.000	0.000
1075	J	3	VAL	0	0.036	0.013	57.738	0.389	0.389	0.000	0.000	0.000	0.000
1076	J	4	TRP	0	0.090	0.047	55.561	-0.433	-0.433	0.000	0.000	0.000	0.000
1077	J	5	THR	0	0.001	0.008	57.600	0.132	0.132	0.000	0.000	0.000	0.000
1078	J	6	PRO	0	0.024	0.019	57.234	0.126	0.126	0.000	0.000	0.000	0.000
1079	J	7	VAL	0	-0.033	-0.016	58.626	-0.014	-0.014	0.000	0.000	0.000	0.000
1080	J	8	ASN	0	-0.057	-0.029	62.061	0.068	0.068	0.000	0.000	0.000	0.000
1081	J	9	ASN	0	0.018	-0.007	58.523	-0.455	-0.455	0.000	0.000	0.000	0.000
1082	J	10	LYS	1	0.941	0.995	57.803	-20.393	-20.393	0.000	0.000	0.000	0.000
1083	J	11	MET	0	-0.103	-0.039	54.881	-0.361	-0.361	0.000	0.000	0.000	0.000
1084	J	12	PHE	0	-0.023	-0.046	56.193	-0.108	-0.108	0.000	0.000	0.000	0.000
1085	J	13	GLU	-1	-0.782	-0.884	49.981	24.513	24.513	0.000	0.000	0.000	0.000
1086	J	14	THR	0	-0.039	-0.031	51.021	-0.143	-0.143	0.000	0.000	0.000	0.000
1087	J	15	PHE	0	-0.008	-0.004	53.010	-0.368	-0.368	0.000	0.000	0.000	0.000
1088	J	16	SER	0	-0.068	-0.019	55.058	-0.461	-0.461	0.000	0.000	0.000	0.000
1089	J	17	TYR	0	0.016	-0.020	52.976	-0.362	-0.362	0.000	0.000	0.000	0.000
1090	J	18	LEU	0	-0.046	-0.013	55.235	-0.134	-0.134	0.000	0.000	0.000	0.000
1091	J	19	PRO	0	-0.053	-0.036	58.251	-0.219	-0.219	0.000	0.000	0.000	0.000
1092	J	20	PRO	0	-0.050	-0.028	61.620	0.129	0.129	0.000	0.000	0.000	0.000
1093	J	21	LEU	0	0.033	0.033	59.379	-0.142	-0.142	0.000	0.000	0.000	0.000
1094	J	22	THR	0	0.004	0.001	63.353	-0.248	-0.248	0.000	0.000	0.000	0.000
1095	J	23	ASP	-1	-0.890	-0.963	65.556	18.129	18.129	0.000	0.000	0.000	0.000
1096	J	24	GLU	-1	-0.984	-0.987	66.152	18.557	18.557	0.000	0.000	0.000	0.000
1097	J	25	GLN	0	0.073	0.035	61.934	0.070	0.070	0.000	0.000	0.000	0.000
1098	J	26	ILE	0	-0.019	-0.007	61.696	0.395	0.395	0.000	0.000	0.000	0.000
1099	J	27	ALA	0	-0.006	-0.011	62.216	0.262	0.262	0.000	0.000	0.000	0.000
1100	J	28	ALA	0	0.065	0.043	60.693	0.168	0.168	0.000	0.000	0.000	0.000
1101	J	29	GLN	0	0.021	0.005	56.275	0.729	0.729	0.000	0.000	0.000	0.000
1102	J	30	VAL	0	-0.052	-0.028	58.085	0.310	0.310	0.000	0.000	0.000	0.000
1103	J	31	ASP	-1	-0.878	-0.945	59.799	19.979	19.979	0.000	0.000	0.000	0.000
1104	J	32	TYR	0	-0.007	0.012	50.058	0.325	0.325	0.000	0.000	0.000	0.000
1105	J	33	ILE	0	-0.028	-0.016	55.257	0.386	0.386	0.000	0.000	0.000	0.000
1106	J	34	VAL	0	-0.043	-0.025	55.877	0.214	0.214	0.000	0.000	0.000	0.000
1107	J	35	ALA	0	-0.051	-0.025	56.369	0.096	0.096	0.000	0.000	0.000	0.000
1108	J	36	ASN	0	-0.062	-0.041	51.429	0.555	0.555	0.000	0.000	0.000	0.000
1109	J	37	GLY	0	-0.044	0.005	52.351	0.358	0.358	0.000	0.000	0.000	0.000
1110	J	38	TRP	0	-0.018	-0.004	48.726	-0.001	-0.001	0.000	0.000	0.000	0.000
1111	J	39	ILE	0	-0.031	-0.025	53.099	-0.492	-0.492	0.000	0.000	0.000	0.000
1112	J	40	PRO	0	0.024	0.024	55.837	0.179	0.179	0.000	0.000	0.000	0.000
1113	J	41	CYS	0	-0.027	-0.016	57.466	-0.198	-0.198	0.000	0.000	0.000	0.000
1114	J	42	LEU	0	0.011	0.024	59.326	0.030	0.030	0.000	0.000	0.000	0.000
1115	J	43	GLU	-1	-0.832	-0.890	56.125	22.106	22.106	0.000	0.000	0.000	0.000
1116	J	44	PHE	0	-0.002	-0.022	60.715	-0.138	-0.138	0.000	0.000	0.000	0.000
1117	J	45	ALA	0	0.040	0.020	61.304	0.148	0.148	0.000	0.000	0.000	0.000
1118	J	46	GLU	-1	-0.916	-0.958	63.450	18.382	18.382	0.000	0.000	0.000	0.000
1119	J	47	ALA	0	0.019	-0.016	64.172	0.295	0.295	0.000	0.000	0.000	0.000
1120	J	48	ASP	-1	-0.903	-0.947	63.568	18.924	18.924	0.000	0.000	0.000	0.000
1121	J	49	LYS	1	0.870	0.939	61.119	-19.659	-19.659	0.000	0.000	0.000	0.000
1122	J	50	ALA	0	-0.019	0.009	60.027	0.298	0.298	0.000	0.000	0.000	0.000
1123	J	51	TYR	0	0.006	-0.005	56.867	0.358	0.358	0.000	0.000	0.000	0.000
1124	J	52	VAL	0	-0.010	0.004	51.404	-0.096	-0.096	0.000	0.000	0.000	0.000
1125	J	53	SER	0	-0.107	-0.124	54.616	-0.157	-0.157	0.000	0.000	0.000	0.000
1126	J	54	ASN	0	0.034	0.000	51.825	0.679	0.679	0.000	0.000	0.000	0.000
1127	J	55	GLU	-1	-0.820	-0.832	54.162	21.384	21.384	0.000	0.000	0.000	0.000
1128	J	56	SER	0	-0.031	-0.049	54.477	-0.260	-0.260	0.000	0.000	0.000	0.000
1129	J	57	ALA	0	0.002	0.000	51.340	0.111	0.111	0.000	0.000	0.000	0.000
1130	J	58	ILE	0	-0.047	-0.010	52.868	0.172	0.172	0.000	0.000	0.000	0.000
1131	J	59	ARG	1	0.896	0.939	54.618	-21.675	-21.675	0.000	0.000	0.000	0.000
1132	J	60	PHE	0	-0.066	-0.011	49.137	0.183	0.183	0.000	0.000	0.000	0.000
1133	J	61	GLY	0	0.047	0.030	47.875	-0.159	-0.159	0.000	0.000	0.000	0.000
1134	J	62	SER	0	0.010	-0.006	43.873	-0.316	-0.316	0.000	0.000	0.000	0.000
1135	J	63	VAL	0	-0.023	-0.030	43.347	0.734	0.734	0.000	0.000	0.000	0.000
1136	J	64	SER	0	0.036	0.018	45.093	-0.034	-0.034	0.000	0.000	0.000	0.000
1137	J	65	CYS	0	-0.028	0.025	41.454	-0.187	-0.187	0.000	0.000	0.000	0.000
1138	J	66	LEU	0	-0.035	-0.008	40.330	-0.007	-0.007	0.000	0.000	0.000	0.000
1139	J	67	TYR	0	-0.098	-0.043	44.595	-0.099	-0.099	0.000	0.000	0.000	0.000
1140	J	68	TYR	0	0.034	-0.005	46.085	0.099	0.099	0.000	0.000	0.000	0.000
1141	J	69	ASP	-1	-0.769	-0.847	51.028	22.431	22.431	0.000	0.000	0.000	0.000
1142	J	70	ASN	0	-0.007	-0.024	54.589	-0.021	-0.021	0.000	0.000	0.000	0.000
1143	J	71	ARG	1	0.876	0.948	46.833	-25.251	-25.251	0.000	0.000	0.000	0.000
1144	J	72	TYR	0	-0.008	-0.006	50.754	-0.043	-0.043	0.000	0.000	0.000	0.000
1145	J	73	TRP	0	-0.011	-0.001	55.440	-0.378	-0.378	0.000	0.000	0.000	0.000
1146	J	74	THR	0	-0.033	-0.015	58.751	0.118	0.118	0.000	0.000	0.000	0.000
1147	J	75	MET	0	0.025	0.019	57.287	-0.100	-0.100	0.000	0.000	0.000	0.000
1148	J	76	TRP	0	-0.041	-0.036	61.256	-0.459	-0.459	0.000	0.000	0.000	0.000
1149	J	77	LYS	1	0.788	0.896	63.498	-18.005	-18.005	0.000	0.000	0.000	0.000
1150	J	78	LEU	0	0.032	0.007	60.698	0.179	0.179	0.000	0.000	0.000	0.000
1151	J	79	PRO	0	0.020	0.003	57.079	-0.154	-0.154	0.000	0.000	0.000	0.000
1152	J	80	MET	0	-0.031	-0.006	59.479	-0.171	-0.171	0.000	0.000	0.000	0.000
1153	J	81	PHE	0	0.040	0.002	55.382	0.178	0.178	0.000	0.000	0.000	0.000
1154	J	82	GLY	0	-0.009	-0.007	58.443	-0.320	-0.320	0.000	0.000	0.000	0.000
1155	J	83	CYS	0	-0.066	-0.011	60.150	-0.355	-0.355	0.000	0.000	0.000	0.000
1156	J	84	ARG	1	0.989	0.984	59.437	-20.361	-20.361	0.000	0.000	0.000	0.000
1157	J	85	ASP	-1	-0.870	-0.946	62.125	18.401	18.401	0.000	0.000	0.000	0.000
1158	J	86	PRO	0	0.113	0.050	62.995	-0.055	-0.055	0.000	0.000	0.000	0.000
1159	J	87	MET	0	0.013	-0.002	64.653	-0.073	-0.073	0.000	0.000	0.000	0.000
1160	J	88	GLN	0	-0.053	-0.029	66.139	-0.143	-0.143	0.000	0.000	0.000	0.000
1161	J	89	VAL	0	0.033	0.021	61.999	-0.099	-0.099	0.000	0.000	0.000	0.000
1162	J	90	LEU	0	0.041	0.016	65.079	-0.088	-0.088	0.000	0.000	0.000	0.000
1163	J	91	ARG	1	0.924	0.956	67.425	-17.854	-17.854	0.000	0.000	0.000	0.000
1164	J	92	GLU	-1	-0.784	-0.880	66.074	18.080	18.080	0.000	0.000	0.000	0.000
1165	J	93	ILE	0	0.035	0.028	63.683	-0.029	-0.029	0.000	0.000	0.000	0.000
1166	J	94	VAL	0	-0.010	0.010	67.200	-0.155	-0.155	0.000	0.000	0.000	0.000
1167	J	95	ALA	0	-0.048	-0.030	70.418	-0.187	-0.187	0.000	0.000	0.000	0.000
1168	J	96	CYS	0	-0.029	0.000	66.614	-0.075	-0.075	0.000	0.000	0.000	0.000
1169	J	97	THR	0	0.024	-0.011	67.866	-0.163	-0.163	0.000	0.000	0.000	0.000
1170	J	98	LYS	1	0.907	0.961	70.107	-16.412	-16.412	0.000	0.000	0.000	0.000
1171	J	99	ALA	0	-0.068	-0.029	71.333	-0.220	-0.220	0.000	0.000	0.000	0.000
1172	J	100	PHE	0	-0.003	-0.003	69.069	-0.093	-0.093	0.000	0.000	0.000	0.000
1173	J	101	PRO	0	0.035	0.024	70.182	0.218	0.218	0.000	0.000	0.000	0.000
1174	J	102	ASP	-1	-0.985	-0.993	71.362	16.958	16.958	0.000	0.000	0.000	0.000
1175	J	103	ALA	0	-0.039	-0.010	66.549	0.144	0.144	0.000	0.000	0.000	0.000
1176	J	104	TYR	0	0.024	0.003	62.412	-0.087	-0.087	0.000	0.000	0.000	0.000
1177	J	105	VAL	0	0.003	0.002	63.352	0.070	0.070	0.000	0.000	0.000	0.000
1178	J	106	ARG	1	0.835	0.903	55.412	-22.012	-22.012	0.000	0.000	0.000	0.000
1179	J	107	LEU	0	-0.018	0.004	58.866	-0.154	-0.154	0.000	0.000	0.000	0.000
1180	J	108	VAL	0	0.044	0.022	54.407	0.269	0.269	0.000	0.000	0.000	0.000
1181	J	109	ALA	0	0.011	-0.003	53.887	-0.382	-0.382	0.000	0.000	0.000	0.000
1182	J	110	PHE	0	-0.021	-0.009	50.973	0.465	0.465	0.000	0.000	0.000	0.000
1183	J	111	ASP	-1	-0.766	-0.885	46.769	25.791	25.791	0.000	0.000	0.000	0.000
1184	J	112	ASN	0	-0.039	-0.047	48.269	0.297	0.297	0.000	0.000	0.000	0.000
1185	J	113	GLN	0	-0.022	0.003	44.901	-0.127	-0.127	0.000	0.000	0.000	0.000
1186	J	114	LYS	1	0.914	0.968	41.797	-27.701	-27.701	0.000	0.000	0.000	0.000
1187	J	115	GLN	0	-0.058	-0.020	43.564	0.643	0.643	0.000	0.000	0.000	0.000
1188	J	116	VAL	0	0.031	0.011	44.317	0.277	0.277	0.000	0.000	0.000	0.000
1189	J	117	GLN	0	-0.015	-0.006	46.826	-0.505	-0.505	0.000	0.000	0.000	0.000
1190	J	118	ILE	0	-0.016	-0.012	46.249	0.505	0.505	0.000	0.000	0.000	0.000
1191	J	119	MET	0	-0.011	-0.015	49.241	-0.025	-0.025	0.000	0.000	0.000	0.000
1192	J	120	GLY	0	0.069	0.022	52.003	-0.108	-0.108	0.000	0.000	0.000	0.000
1193	J	121	PHE	0	-0.014	0.002	54.496	0.142	0.142	0.000	0.000	0.000	0.000
1194	J	122	LEU	0	-0.049	-0.019	57.113	-0.270	-0.270	0.000	0.000	0.000	0.000
1195	J	123	VAL	0	-0.008	-0.008	60.241	-0.070	-0.070	0.000	0.000	0.000	0.000
1196	J	124	GLN	0	-0.048	-0.026	63.582	-0.511	-0.511	0.000	0.000	0.000	0.000
1197	J	125	ARG	1	0.937	0.984	61.673	-19.262	-19.262	0.000	0.000	0.000	0.000
1198	J	126	PRO	0	0.039	0.034	65.970	-0.279	-0.279	0.000	0.000	0.000	0.000
1199	J	127	LYS	1	0.983	0.963	69.143	-16.739	-16.739	0.000	0.000	0.000	0.000
1200	J	128	THR	0	-0.013	-0.003	71.557	-0.014	-0.014	0.000	0.000	0.000	0.000
1201	J	129	ALA	0	0.017	0.034	66.191	-0.005	-0.005	0.000	0.000	0.000	0.000
1202	J	130	ARG	1	0.908	0.930	67.679	-17.838	-17.838	0.000	0.000	0.000	0.000
1203	J	131	ASP	-1	-0.892	-0.941	62.884	19.379	19.379	0.000	0.000	0.000	0.000
1204	J	132	PHE	0	0.012	0.011	62.391	0.338	0.338	0.000	0.000	0.000	0.000
1205	J	133	GLN	0	0.010	-0.011	62.411	-0.614	-0.614	0.000	0.000	0.000	0.000
1206	J	134	PRO	0	-0.011	-0.003	63.164	0.216	0.216	0.000	0.000	0.000	0.000
1207	J	135	ALA	0	0.079	0.025	61.802	0.072	0.072	0.000	0.000	0.000	0.000
1208	J	136	ASN	0	0.008	-0.002	62.260	0.235	0.235	0.000	0.000	0.000	0.000
1209	J	137	LYS	1	0.845	0.924	64.799	-18.272	-18.272	0.000	0.000	0.000	0.000
1210	J	138	ARG	1	0.905	0.988	58.986	-20.531	-20.531	0.000	0.000	0.000	0.000
1211	J	139	SER	0	-0.007	-0.006	59.112	0.154	0.154	0.000	0.000	0.000	0.000
1212	J	140	VAL	0	-0.047	-0.004	61.013	-0.387	-0.387	0.000	0.000	0.000	0.000
1214	B	1477	CAP	-4	-3.166	-3.576	28.190	140.976	140.976	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1213(A:1477:CAP)