FMO DATABASE

FMODB ID: K3GQ3

Calculation Name: 5HJX-AB-Xray434

Preferred Name:

Target Type:

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

ligand 3-letter code: CAP

PDB ID: 5HJX

Chain ID: AB

ChEMBL ID:

UniProt ID: Q6N0W9

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	915
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-27421747.297996
FMO2-HF: Nuclear repulsion	27064055.9184
FMO2-HF: Total energy	-357691.379596
FMO2-MP2: Total energy	-358723.826533

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.
-793.445	-776.725	149.907	-80.509	-86.112	-0.696

Interactive mode: IFIE and PIEDA for fragment #914(A:500:CAP)

Summations of interaction energy for fragment #914(A:500: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.
-793.445	-776.725	149.907	-80.509	-86.112	0.696

Interaction energy analysis for fragmet #914(A:500:CAP)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : -4 / q_Mulliken : -3.152 / q_NPA : -3.579

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].
165	A	165	ILE	0	0.016	0.012	1.875	-10.514	-7.646	4.384	-2.878	-4.374	0.009
166	A	166	ILE	0	-0.004	-0.002	4.972	3.191	3.309	-0.001	-0.005	-0.112	0.000
167	A	167	LYS	1	0.863	0.918	2.235	-241.689	-237.639	6.086	-4.376	-5.760	0.063
169	A	169	LYS	1	0.794	0.900	4.304	-163.367	-162.844	-0.001	-0.255	-0.268	0.001
192	A	192	KCX	-1	-0.544	-0.840	2.128	183.208	182.641	14.444	-5.691	-8.186	-0.072
194	A	194	ASP	0	0.190	0.037	4.216	5.999	6.180	-0.001	-0.050	-0.130	0.000
195	A	195	GLU	0	0.132	-0.049	3.964	-16.355	-16.024	-0.001	-0.068	-0.262	0.000
289	A	288	HIS	0	0.256	0.114	2.038	11.834	10.883	8.340	-3.331	-4.058	-0.034
290	A	289	ARG	1	0.830	0.905	1.967	-265.544	-257.826	10.376	-9.973	-8.122	0.145
291	A	290	ALA	0	0.030	0.020	4.652	0.418	0.521	-0.001	-0.016	-0.086	0.000
293	A	292	HIS	0	-0.010	-0.018	4.082	7.967	8.667	0.033	-0.213	-0.520	0.000
323	A	322	HIS	0	-0.004	0.021	1.741	-64.884	-64.877	16.233	-8.773	-7.467	0.110
324	A	323	THR	0	-0.007	-0.009	4.688	-5.054	-4.873	-0.001	-0.025	-0.155	0.000
325	A	324	GLY	0	0.031	0.022	3.154	-11.055	-9.221	0.144	-1.009	-0.969	0.009
326	A	325	THR	0	-0.013	-0.012	4.117	-25.377	-25.074	0.004	-0.104	-0.202	0.001
331	A	330	LYS	1	0.717	0.843	1.701	-286.507	-294.037	22.460	-8.592	-6.338	0.091
332	A	331	MET	0	-0.038	-0.008	2.464	-27.972	-23.981	2.611	-2.374	-4.227	0.029
333	A	332	GLU	-1	-0.845	-0.904	5.601	82.825	82.861	-0.001	-0.002	-0.032	0.000
369	A	368	ILE	0	-0.023	-0.015	5.059	17.567	17.764	-0.001	-0.004	-0.192	0.000
370	A	369	SER	0	0.041	-0.007	2.050	-28.027	-22.665	7.213	-6.035	-6.541	0.035
371	A	370	GLY	0	0.081	0.046	2.209	9.647	12.910	5.229	-3.607	-4.885	0.014
372	A	371	GLY	0	-0.023	-0.015	1.830	-49.615	-55.214	12.817	-2.610	-4.608	0.065
373	A	372	MET	0	-0.030	-0.005	3.470	-36.888	-36.288	0.077	0.043	-0.720	0.009
374	A	373	ASN	0	0.035	-0.010	4.973	2.619	2.751	-0.001	-0.004	-0.126	0.000
393	A	392	THR	0	-0.030	-0.010	3.856	-13.092	-12.807	-0.001	-0.040	-0.244	0.000
394	A	393	ALA	0	0.019	0.004	2.898	17.173	19.360	0.303	-1.160	-1.330	0.010
395	A	394	GLY	0	0.012	0.018	1.873	-45.520	-46.301	10.526	-5.845	-3.900	0.077
396	A	395	GLY	0	0.030	-0.008	1.902	-51.429	-53.132	8.051	-3.052	-3.296	0.051
397	A	396	GLY	0	-0.032	-0.009	3.832	-29.844	-29.127	0.024	-0.364	-0.376	0.003
506	B	49	GLU	-1	-0.788	-0.900	5.370	184.181	184.213	-0.001	-0.014	-0.017	0.000
511	B	54	THR	0	-0.035	-0.032	1.690	-18.828	-22.882	15.985	-7.817	-4.112	0.071
512	B	55	ASN	0	-0.009	-0.015	4.156	-9.650	-8.937	0.005	-0.261	-0.456	0.001
513	B	56	VAL	0	-0.017	-0.008	4.888	-15.377	-15.267	-0.001	-0.002	-0.106	0.000
569	B	112	ASN	0	0.090	0.004	2.213	-9.024	-7.739	4.575	-1.997	-3.863	0.008
570	B	113	ASN	0	-0.020	-0.017	4.875	5.015	5.093	-0.001	-0.005	-0.072	0.000
1	A	1	MET	0	-0.016	-0.013	39.867	0.034	0.034	0.000	0.000	0.000	0.000
2	A	2	ASP	-1	-0.810	-0.892	39.701	29.333	29.333	0.000	0.000	0.000	0.000
3	A	3	GLN	0	-0.005	-0.010	37.553	-0.713	-0.713	0.000	0.000	0.000	0.000
4	A	4	SER	0	0.036	-0.019	38.566	0.681	0.681	0.000	0.000	0.000	0.000
5	A	5	ASN	0	-0.044	-0.025	39.622	0.297	0.297	0.000	0.000	0.000	0.000
6	A	6	ARG	1	0.778	0.896	39.210	-29.745	-29.745	0.000	0.000	0.000	0.000
7	A	7	TYR	0	-0.003	-0.015	35.281	-0.097	-0.097	0.000	0.000	0.000	0.000
8	A	8	ALA	0	0.006	0.002	35.515	1.130	1.130	0.000	0.000	0.000	0.000
9	A	9	ASN	0	0.007	-0.003	36.776	-1.126	-1.126	0.000	0.000	0.000	0.000
10	A	10	LEU	0	0.009	0.000	35.454	0.417	0.417	0.000	0.000	0.000	0.000
11	A	11	ASN	0	-0.039	-0.007	37.928	0.082	0.082	0.000	0.000	0.000	0.000
12	A	12	LEU	0	-0.041	-0.006	36.238	-0.334	-0.334	0.000	0.000	0.000	0.000
13	A	13	LYS	1	1.001	1.001	36.581	-27.983	-27.983	0.000	0.000	0.000	0.000
14	A	14	GLU	-1	-0.712	-0.851	29.279	39.177	39.177	0.000	0.000	0.000	0.000
15	A	15	SER	0	0.017	-0.004	33.011	0.372	0.372	0.000	0.000	0.000	0.000
16	A	16	GLU	-1	-0.969	-0.985	34.625	29.182	29.182	0.000	0.000	0.000	0.000
17	A	17	LEU	0	-0.007	0.000	32.550	-0.124	-0.124	0.000	0.000	0.000	0.000
18	A	18	ILE	0	-0.035	-0.011	29.518	0.308	0.308	0.000	0.000	0.000	0.000
19	A	19	ALA	0	-0.046	-0.022	32.120	0.141	0.141	0.000	0.000	0.000	0.000
20	A	20	GLY	0	-0.001	0.009	35.256	-0.409	-0.409	0.000	0.000	0.000	0.000
21	A	21	GLY	0	-0.007	-0.002	32.122	-0.210	-0.210	0.000	0.000	0.000	0.000
22	A	22	ARG	1	0.820	0.898	32.782	-32.062	-32.062	0.000	0.000	0.000	0.000
23	A	23	HIS	0	0.057	0.018	30.867	-0.028	-0.028	0.000	0.000	0.000	0.000
24	A	24	VAL	0	-0.010	0.005	24.430	0.579	0.579	0.000	0.000	0.000	0.000
25	A	25	LEU	0	-0.037	0.009	26.052	-0.966	-0.966	0.000	0.000	0.000	0.000
26	A	26	CYS	0	-0.024	-0.001	23.024	2.128	2.128	0.000	0.000	0.000	0.000
27	A	27	ALA	0	0.034	0.029	22.537	-1.845	-1.845	0.000	0.000	0.000	0.000
28	A	28	TYR	0	-0.014	-0.034	21.738	2.370	2.370	0.000	0.000	0.000	0.000
29	A	29	ILE	0	0.011	0.017	21.314	-1.352	-1.352	0.000	0.000	0.000	0.000
30	A	30	MET	0	-0.051	-0.027	22.876	1.246	1.246	0.000	0.000	0.000	0.000
31	A	31	LYS	1	0.952	0.980	25.623	-40.978	-40.978	0.000	0.000	0.000	0.000
32	A	32	PRO	0	0.047	0.013	27.925	0.606	0.606	0.000	0.000	0.000	0.000
33	A	33	LYS	1	0.796	0.909	29.310	-38.299	-38.299	0.000	0.000	0.000	0.000
34	A	34	ALA	0	0.001	-0.009	31.807	-1.018	-1.018	0.000	0.000	0.000	0.000
35	A	35	GLY	0	-0.014	-0.011	34.852	0.024	0.024	0.000	0.000	0.000	0.000
36	A	36	PHE	0	-0.009	-0.004	34.945	-0.538	-0.538	0.000	0.000	0.000	0.000
37	A	37	GLY	0	0.021	0.020	36.878	-0.644	-0.644	0.000	0.000	0.000	0.000
38	A	38	ASN	0	0.033	0.022	36.297	1.193	1.193	0.000	0.000	0.000	0.000
39	A	39	PHE	0	0.087	0.031	29.134	0.255	0.255	0.000	0.000	0.000	0.000
40	A	40	ILE	0	0.024	0.002	33.667	0.720	0.720	0.000	0.000	0.000	0.000
41	A	41	GLN	0	-0.022	-0.014	35.841	0.523	0.523	0.000	0.000	0.000	0.000
42	A	42	THR	0	-0.011	-0.005	31.072	0.147	0.147	0.000	0.000	0.000	0.000
43	A	43	ALA	0	0.011	-0.002	31.056	0.770	0.770	0.000	0.000	0.000	0.000
44	A	44	ALA	0	-0.009	0.008	32.087	0.485	0.485	0.000	0.000	0.000	0.000
45	A	45	HIS	1	0.753	0.851	33.700	-33.990	-33.990	0.000	0.000	0.000	0.000
46	A	46	PHE	0	0.027	-0.005	24.255	0.240	0.240	0.000	0.000	0.000	0.000
47	A	47	VAL	0	0.012	0.011	29.706	0.809	0.809	0.000	0.000	0.000	0.000
48	A	48	ALA	0	0.000	0.025	31.285	0.163	0.163	0.000	0.000	0.000	0.000
49	A	49	GLU	-1	-0.794	-0.902	30.167	34.332	34.332	0.000	0.000	0.000	0.000
50	A	50	SER	0	-0.025	-0.006	27.260	1.552	1.552	0.000	0.000	0.000	0.000
51	A	51	SER	0	-0.043	-0.043	28.763	0.167	0.167	0.000	0.000	0.000	0.000
52	A	52	THR	0	-0.018	-0.037	31.463	0.035	0.035	0.000	0.000	0.000	0.000
53	A	53	GLY	0	-0.006	0.004	34.490	-0.995	-0.995	0.000	0.000	0.000	0.000
54	A	54	THR	0	-0.020	-0.020	34.707	0.885	0.885	0.000	0.000	0.000	0.000
55	A	55	ASN	0	-0.022	-0.026	35.987	-0.234	-0.234	0.000	0.000	0.000	0.000
56	A	56	VAL	0	-0.015	0.000	37.512	-0.483	-0.483	0.000	0.000	0.000	0.000
57	A	57	GLU	-1	-0.932	-0.971	40.832	25.985	25.985	0.000	0.000	0.000	0.000
58	A	58	VAL	0	-0.003	-0.005	41.293	-0.223	-0.223	0.000	0.000	0.000	0.000
59	A	59	SER	0	0.009	-0.005	44.136	-0.001	-0.001	0.000	0.000	0.000	0.000
60	A	60	THR	0	-0.011	-0.028	42.874	-0.366	-0.366	0.000	0.000	0.000	0.000
61	A	61	THR	0	-0.055	-0.018	42.034	0.505	0.505	0.000	0.000	0.000	0.000
62	A	62	ASP	-1	-0.823	-0.904	43.695	26.130	26.130	0.000	0.000	0.000	0.000
63	A	63	ASP	-1	-0.854	-0.958	43.838	25.391	25.391	0.000	0.000	0.000	0.000
64	A	64	PHE	0	-0.095	-0.043	39.823	0.206	0.206	0.000	0.000	0.000	0.000
65	A	65	THR	0	-0.012	-0.026	38.769	0.815	0.815	0.000	0.000	0.000	0.000
66	A	66	ARG	1	0.924	0.967	39.092	-25.677	-25.677	0.000	0.000	0.000	0.000
67	A	67	GLY	0	-0.039	0.004	39.915	0.312	0.312	0.000	0.000	0.000	0.000
68	A	68	VAL	0	-0.060	-0.026	35.651	0.454	0.454	0.000	0.000	0.000	0.000
69	A	69	ASP	-1	-0.722	-0.818	34.939	31.056	31.056	0.000	0.000	0.000	0.000
70	A	70	ALA	0	-0.009	-0.003	30.964	0.218	0.218	0.000	0.000	0.000	0.000
71	A	71	LEU	0	-0.029	-0.020	32.580	-0.836	-0.836	0.000	0.000	0.000	0.000
72	A	72	VAL	0	0.006	0.020	31.229	1.055	1.055	0.000	0.000	0.000	0.000
73	A	73	TYR	0	-0.049	-0.063	29.039	-0.813	-0.813	0.000	0.000	0.000	0.000
74	A	74	GLU	-1	-0.879	-0.953	30.531	36.686	36.686	0.000	0.000	0.000	0.000
75	A	75	VAL	0	-0.042	-0.023	31.010	1.018	1.018	0.000	0.000	0.000	0.000
76	A	76	ASP	-1	-0.823	-0.913	29.921	35.922	35.922	0.000	0.000	0.000	0.000
77	A	77	GLU	-1	-0.928	-0.960	30.143	34.327	34.327	0.000	0.000	0.000	0.000
78	A	78	ALA	0	-0.044	-0.015	30.909	0.642	0.642	0.000	0.000	0.000	0.000
79	A	79	ASN	0	-0.056	-0.030	27.035	1.076	1.076	0.000	0.000	0.000	0.000
80	A	80	SER	0	-0.072	-0.035	25.906	1.820	1.820	0.000	0.000	0.000	0.000
81	A	81	LEU	0	-0.004	0.014	24.890	1.448	1.448	0.000	0.000	0.000	0.000
82	A	82	MET	0	-0.021	-0.004	26.383	-2.207	-2.207	0.000	0.000	0.000	0.000
83	A	83	LYS	1	0.857	0.947	26.407	-38.460	-38.460	0.000	0.000	0.000	0.000
84	A	84	ILE	0	0.009	-0.003	27.131	-1.511	-1.511	0.000	0.000	0.000	0.000
85	A	85	ALA	0	-0.016	-0.007	27.991	1.183	1.183	0.000	0.000	0.000	0.000
86	A	86	TYR	0	0.014	-0.034	25.673	-1.293	-1.293	0.000	0.000	0.000	0.000
87	A	87	PRO	0	0.034	0.033	29.913	0.670	0.670	0.000	0.000	0.000	0.000
88	A	88	ILE	0	0.009	-0.007	29.020	0.545	0.545	0.000	0.000	0.000	0.000
89	A	89	GLU	-1	-0.900	-0.957	30.665	33.089	33.089	0.000	0.000	0.000	0.000
90	A	90	LEU	0	-0.033	-0.011	30.241	-0.230	-0.230	0.000	0.000	0.000	0.000
91	A	91	PHE	0	-0.034	-0.001	25.111	0.383	0.383	0.000	0.000	0.000	0.000
92	A	92	ASP	-1	-0.733	-0.879	27.440	36.594	36.594	0.000	0.000	0.000	0.000
93	A	93	ARG	1	0.828	0.905	27.683	-35.671	-35.671	0.000	0.000	0.000	0.000
94	A	94	ASN	0	-0.021	-0.008	26.038	-0.565	-0.565	0.000	0.000	0.000	0.000
95	A	95	VAL	0	-0.049	-0.048	29.894	-1.039	-1.039	0.000	0.000	0.000	0.000
96	A	96	ILE	0	-0.076	-0.030	28.804	-1.032	-1.032	0.000	0.000	0.000	0.000
97	A	97	ASP	-1	-0.770	-0.894	28.572	39.298	39.298	0.000	0.000	0.000	0.000
98	A	98	GLY	0	-0.029	-0.007	31.616	0.048	0.048	0.000	0.000	0.000	0.000
99	A	99	ARG	1	0.825	0.922	26.576	-38.361	-38.361	0.000	0.000	0.000	0.000
100	A	100	ALA	0	-0.018	-0.013	24.637	-0.654	-0.654	0.000	0.000	0.000	0.000
101	A	101	MET	0	-0.033	0.017	22.676	0.986	0.986	0.000	0.000	0.000	0.000
102	A	102	ILE	0	-0.004	-0.026	16.905	-0.744	-0.744	0.000	0.000	0.000	0.000
103	A	103	ALA	0	0.018	0.007	20.154	0.260	0.260	0.000	0.000	0.000	0.000
104	A	104	SER	0	0.026	0.033	21.058	-1.052	-1.052	0.000	0.000	0.000	0.000
105	A	105	PHE	0	0.017	-0.003	18.540	-1.035	-1.035	0.000	0.000	0.000	0.000
106	A	106	LEU	0	0.000	0.008	16.301	-0.016	-0.016	0.000	0.000	0.000	0.000
107	A	107	THR	0	-0.014	0.003	20.366	0.358	0.358	0.000	0.000	0.000	0.000
108	A	108	LEU	0	-0.016	-0.003	23.403	-1.011	-1.011	0.000	0.000	0.000	0.000
109	A	109	THR	0	-0.036	-0.030	21.474	0.274	0.274	0.000	0.000	0.000	0.000
110	A	110	ILE	0	-0.074	-0.018	17.951	0.390	0.390	0.000	0.000	0.000	0.000
111	A	111	GLY	0	0.112	0.056	20.574	1.719	1.719	0.000	0.000	0.000	0.000
112	A	112	ASN	0	0.159	0.032	22.997	1.776	1.776	0.000	0.000	0.000	0.000
113	A	113	ASN	0	-0.023	-0.017	23.565	1.019	1.019	0.000	0.000	0.000	0.000
114	A	114	GLN	0	0.005	-0.006	20.165	1.822	1.822	0.000	0.000	0.000	0.000
115	A	115	GLY	0	-0.003	0.001	23.365	1.028	1.028	0.000	0.000	0.000	0.000
116	A	116	MET	0	-0.036	-0.001	26.027	-0.964	-0.964	0.000	0.000	0.000	0.000
117	A	117	GLY	0	0.042	0.028	28.775	0.708	0.708	0.000	0.000	0.000	0.000
118	A	118	ASP	-1	-0.827	-0.899	31.270	35.173	35.173	0.000	0.000	0.000	0.000
119	A	119	VAL	0	-0.012	-0.009	26.560	-0.192	-0.192	0.000	0.000	0.000	0.000
120	A	120	GLU	-1	-0.928	-0.960	26.314	41.730	41.730	0.000	0.000	0.000	0.000
121	A	121	TYR	0	-0.023	-0.034	22.218	1.567	1.567	0.000	0.000	0.000	0.000
122	A	122	ALA	0	0.026	0.009	22.475	-1.505	-1.505	0.000	0.000	0.000	0.000
123	A	123	LYS	1	0.826	0.944	13.591	-69.648	-69.648	0.000	0.000	0.000	0.000
124	A	124	MET	0	-0.013	-0.001	18.111	-0.877	-0.877	0.000	0.000	0.000	0.000
125	A	125	TYR	0	-0.019	-0.039	17.096	3.946	3.946	0.000	0.000	0.000	0.000
126	A	126	ASP	-1	-0.748	-0.887	17.595	55.786	55.786	0.000	0.000	0.000	0.000
127	A	127	PHE	0	0.008	-0.008	16.592	-1.611	-1.611	0.000	0.000	0.000	0.000
128	A	128	TYR	0	0.009	0.026	21.249	1.233	1.233	0.000	0.000	0.000	0.000
129	A	129	VAL	0	0.013	0.011	22.280	-1.070	-1.070	0.000	0.000	0.000	0.000
130	A	130	PRO	0	0.035	0.031	24.783	-0.056	-0.056	0.000	0.000	0.000	0.000
131	A	131	PRO	0	0.094	0.026	27.719	0.532	0.532	0.000	0.000	0.000	0.000
132	A	132	ALA	0	-0.047	-0.028	29.246	0.212	0.212	0.000	0.000	0.000	0.000
133	A	133	TYR	0	0.012	0.001	24.153	-0.009	-0.009	0.000	0.000	0.000	0.000
134	A	134	LEU	0	0.037	0.013	22.716	0.653	0.653	0.000	0.000	0.000	0.000
135	A	135	LYS	1	0.926	0.963	24.860	-34.870	-34.870	0.000	0.000	0.000	0.000
136	A	136	LEU	0	-0.089	-0.040	26.993	-0.697	-0.697	0.000	0.000	0.000	0.000
137	A	137	PHE	0	0.021	0.013	21.063	0.091	0.091	0.000	0.000	0.000	0.000
138	A	138	ASP	-1	-0.815	-0.875	20.925	47.135	47.135	0.000	0.000	0.000	0.000
139	A	139	GLY	0	0.019	0.017	19.683	-1.017	-1.017	0.000	0.000	0.000	0.000
140	A	140	PRO	0	-0.024	0.000	16.889	-0.724	-0.724	0.000	0.000	0.000	0.000
141	A	141	SER	0	-0.030	-0.023	19.078	-1.889	-1.889	0.000	0.000	0.000	0.000
142	A	142	THR	0	-0.036	-0.003	18.695	-2.094	-2.094	0.000	0.000	0.000	0.000
143	A	143	THR	0	0.010	-0.004	17.304	2.369	2.369	0.000	0.000	0.000	0.000
144	A	144	ILE	0	0.077	0.030	14.357	-0.813	-0.813	0.000	0.000	0.000	0.000
145	A	145	LYS	1	0.944	0.977	17.165	-49.566	-49.566	0.000	0.000	0.000	0.000
146	A	146	ASP	-1	-0.827	-0.912	20.416	50.007	50.007	0.000	0.000	0.000	0.000
147	A	147	LEU	0	0.030	0.026	14.767	-0.957	-0.957	0.000	0.000	0.000	0.000
148	A	148	TRP	0	-0.017	-0.006	17.790	-2.467	-2.467	0.000	0.000	0.000	0.000
149	A	149	ARG	1	0.844	0.911	21.012	-48.774	-48.774	0.000	0.000	0.000	0.000
150	A	150	VAL	0	-0.014	0.011	20.389	-1.775	-1.775	0.000	0.000	0.000	0.000
151	A	151	LEU	0	-0.046	-0.024	17.007	-0.748	-0.748	0.000	0.000	0.000	0.000
152	A	152	GLY	0	-0.002	0.017	21.521	-0.804	-0.804	0.000	0.000	0.000	0.000
153	A	153	ARG	1	0.772	0.884	17.562	-62.718	-62.718	0.000	0.000	0.000	0.000
154	A	154	PRO	0	0.011	0.000	24.249	-0.959	-0.959	0.000	0.000	0.000	0.000
155	A	155	VAL	0	0.017	0.002	23.589	1.825	1.825	0.000	0.000	0.000	0.000
156	A	156	ILE	0	-0.012	-0.018	23.399	1.078	1.078	0.000	0.000	0.000	0.000
157	A	157	ASN	0	-0.015	-0.007	21.103	0.813	0.813	0.000	0.000	0.000	0.000
158	A	158	GLY	0	0.058	0.024	21.254	-0.995	-0.995	0.000	0.000	0.000	0.000
159	A	159	GLY	0	-0.015	0.000	19.492	-0.196	-0.196	0.000	0.000	0.000	0.000
160	A	160	PHE	0	0.044	0.013	10.918	1.323	1.323	0.000	0.000	0.000	0.000
161	A	161	ILE	0	-0.026	0.001	12.998	-3.467	-3.467	0.000	0.000	0.000	0.000
162	A	162	VAL	0	-0.008	0.008	11.172	6.576	6.576	0.000	0.000	0.000	0.000
163	A	163	GLY	0	0.053	0.013	9.343	-5.537	-5.537	0.000	0.000	0.000	0.000
164	A	164	THR	0	-0.045	-0.036	6.107	8.507	8.507	0.000	0.000	0.000	0.000
168	A	168	PRO	0	0.017	0.015	7.124	-7.476	-7.476	0.000	0.000	0.000	0.000
170	A	170	LEU	0	-0.018	-0.012	7.566	-6.067	-6.067	0.000	0.000	0.000	0.000
171	A	171	GLY	0	0.048	0.018	11.127	0.085	0.085	0.000	0.000	0.000	0.000
172	A	172	LEU	0	-0.022	0.008	11.708	-5.142	-5.142	0.000	0.000	0.000	0.000
173	A	173	ARG	1	0.938	0.976	14.778	-56.211	-56.211	0.000	0.000	0.000	0.000
174	A	174	PRO	0	0.051	0.019	17.012	1.871	1.871	0.000	0.000	0.000	0.000
175	A	175	GLN	0	0.019	0.009	17.902	0.370	0.370	0.000	0.000	0.000	0.000
176	A	176	PRO	0	-0.022	-0.026	16.889	0.525	0.525	0.000	0.000	0.000	0.000
177	A	177	PHE	0	0.043	0.032	10.546	2.156	2.156	0.000	0.000	0.000	0.000
178	A	178	ALA	0	0.024	0.004	14.396	2.886	2.886	0.000	0.000	0.000	0.000
179	A	179	ASN	0	-0.043	-0.034	16.737	-1.344	-1.344	0.000	0.000	0.000	0.000
180	A	180	ALA	0	0.066	0.049	11.981	-0.290	-0.290	0.000	0.000	0.000	0.000
181	A	181	CYS	0	-0.044	-0.010	13.150	3.468	3.468	0.000	0.000	0.000	0.000
182	A	182	TYR	0	-0.031	-0.012	14.111	-1.100	-1.100	0.000	0.000	0.000	0.000
183	A	183	ASP	-1	-0.895	-0.951	14.767	62.542	62.542	0.000	0.000	0.000	0.000
184	A	184	PHE	0	-0.021	-0.006	9.576	-0.414	-0.414	0.000	0.000	0.000	0.000
185	A	185	TRP	0	0.048	0.008	13.530	-1.930	-1.930	0.000	0.000	0.000	0.000
186	A	186	LEU	0	-0.054	-0.018	16.028	-3.404	-3.404	0.000	0.000	0.000	0.000
187	A	187	GLY	0	-0.073	-0.035	16.057	-2.785	-2.785	0.000	0.000	0.000	0.000
188	A	188	GLY	0	-0.030	-0.009	13.252	0.700	0.700	0.000	0.000	0.000	0.000
189	A	189	ASP	-1	-0.784	-0.871	13.694	64.973	64.973	0.000	0.000	0.000	0.000
190	A	190	PHE	0	-0.018	-0.011	7.947	-3.357	-3.357	0.000	0.000	0.000	0.000
191	A	191	ILE	0	-0.008	0.012	8.865	6.443	6.443	0.000	0.000	0.000	0.000
193	A	193	ASN	0	0.055	0.007	6.796	-0.987	-0.987	0.000	0.000	0.000	0.000
197	A	196	PRO	0	-0.044	0.007	5.733	-9.282	-9.282	0.000	0.000	0.000	0.000
198	A	197	GLN	0	-0.096	-0.035	7.938	-11.210	-11.210	0.000	0.000	0.000	0.000
199	A	198	GLY	0	0.044	0.012	10.639	0.581	0.581	0.000	0.000	0.000	0.000
200	A	199	ASN	0	-0.053	-0.020	14.063	-2.499	-2.499	0.000	0.000	0.000	0.000
201	A	200	GLN	0	0.029	0.025	13.178	-2.932	-2.932	0.000	0.000	0.000	0.000
202	A	201	VAL	0	-0.005	-0.009	17.376	-1.576	-1.576	0.000	0.000	0.000	0.000
203	A	202	PHE	0	-0.016	-0.008	14.683	-2.372	-2.372	0.000	0.000	0.000	0.000
204	A	203	ALA	0	-0.037	-0.042	15.816	-0.254	-0.254	0.000	0.000	0.000	0.000
205	A	204	PRO	0	0.038	0.043	17.263	1.605	1.605	0.000	0.000	0.000	0.000
206	A	205	PHE	0	0.088	0.036	16.054	-0.365	-0.365	0.000	0.000	0.000	0.000
207	A	206	LYS	1	0.893	0.957	18.667	-43.896	-43.896	0.000	0.000	0.000	0.000
208	A	207	ASP	-1	-0.896	-0.957	21.326	46.173	46.173	0.000	0.000	0.000	0.000
209	A	208	THR	0	-0.020	-0.019	14.718	0.084	0.084	0.000	0.000	0.000	0.000
210	A	209	VAL	0	0.006	0.009	16.990	0.957	0.957	0.000	0.000	0.000	0.000
211	A	210	ARG	1	0.928	0.967	18.392	-44.939	-44.939	0.000	0.000	0.000	0.000
212	A	211	ALA	0	0.012	0.019	18.967	-0.803	-0.803	0.000	0.000	0.000	0.000
213	A	212	VAL	0	0.004	-0.007	14.609	-0.136	-0.136	0.000	0.000	0.000	0.000
214	A	213	ALA	0	0.013	0.011	17.531	0.083	0.083	0.000	0.000	0.000	0.000
215	A	214	ASP	-1	-0.899	-0.950	20.226	45.934	45.934	0.000	0.000	0.000	0.000
216	A	215	ALA	0	-0.033	-0.022	17.917	-0.910	-0.910	0.000	0.000	0.000	0.000
217	A	216	MET	0	-0.016	0.006	16.983	-0.801	-0.801	0.000	0.000	0.000	0.000
218	A	217	ARG	1	0.848	0.894	19.548	-44.586	-44.586	0.000	0.000	0.000	0.000
219	A	218	ARG	1	0.938	0.982	20.767	-51.694	-51.694	0.000	0.000	0.000	0.000
220	A	219	ALA	0	0.008	-0.006	19.552	-0.902	-0.902	0.000	0.000	0.000	0.000
221	A	220	GLN	0	-0.024	-0.007	20.932	1.306	1.306	0.000	0.000	0.000	0.000
222	A	221	ASP	-1	-0.913	-0.941	23.083	41.422	41.422	0.000	0.000	0.000	0.000
223	A	222	LYS	1	0.834	0.929	23.675	-44.894	-44.894	0.000	0.000	0.000	0.000
224	A	223	THR	0	-0.066	-0.061	20.656	-0.659	-0.659	0.000	0.000	0.000	0.000
225	A	224	GLY	0	0.007	0.017	24.059	-0.753	-0.753	0.000	0.000	0.000	0.000
226	A	225	GLU	-1	-0.964	-0.976	21.132	53.265	53.265	0.000	0.000	0.000	0.000
227	A	226	ALA	0	-0.016	-0.014	21.199	0.527	0.527	0.000	0.000	0.000	0.000
228	A	227	LYS	1	0.811	0.911	16.701	-58.471	-58.471	0.000	0.000	0.000	0.000
229	A	228	LEU	0	-0.001	-0.012	14.120	-1.781	-1.781	0.000	0.000	0.000	0.000
230	A	229	PHE	0	-0.011	-0.021	11.006	3.769	3.769	0.000	0.000	0.000	0.000
231	A	230	SER	0	-0.025	-0.006	9.248	-5.338	-5.338	0.000	0.000	0.000	0.000
232	A	231	PHE	0	0.032	0.005	9.988	4.608	4.608	0.000	0.000	0.000	0.000
233	A	232	ASN	0	0.038	0.037	9.264	-1.669	-1.669	0.000	0.000	0.000	0.000
234	A	233	ILE	0	-0.053	-0.029	11.078	-4.275	-4.275	0.000	0.000	0.000	0.000
235	A	234	THR	0	0.011	-0.003	10.633	-3.598	-3.598	0.000	0.000	0.000	0.000
236	A	235	ALA	0	0.004	-0.012	13.462	-0.760	-0.760	0.000	0.000	0.000	0.000
237	A	236	ASP	-1	-0.775	-0.874	16.561	58.424	58.424	0.000	0.000	0.000	0.000
238	A	237	ASP	-1	-0.810	-0.913	18.998	43.796	43.796	0.000	0.000	0.000	0.000
239	A	238	HIS	0	0.056	0.000	20.703	-0.037	-0.037	0.000	0.000	0.000	0.000
240	A	239	TYR	0	0.070	0.018	21.862	0.478	0.478	0.000	0.000	0.000	0.000
241	A	240	GLU	-1	-0.739	-0.834	19.048	51.324	51.324	0.000	0.000	0.000	0.000
242	A	241	MET	0	-0.056	-0.017	15.392	0.715	0.715	0.000	0.000	0.000	0.000
243	A	242	LEU	0	-0.030	-0.006	19.037	0.809	0.809	0.000	0.000	0.000	0.000
244	A	243	ALA	0	0.039	0.026	22.048	-0.182	-0.182	0.000	0.000	0.000	0.000
245	A	244	ARG	1	0.743	0.855	14.773	-62.397	-62.397	0.000	0.000	0.000	0.000
246	A	245	GLY	0	0.037	0.012	18.839	0.564	0.564	0.000	0.000	0.000	0.000
247	A	246	GLU	-1	-0.903	-0.971	19.655	43.069	43.069	0.000	0.000	0.000	0.000
248	A	247	PHE	0	-0.008	-0.008	21.146	-1.265	-1.265	0.000	0.000	0.000	0.000
249	A	248	ILE	0	0.000	0.004	16.462	-0.492	-0.492	0.000	0.000	0.000	0.000
250	A	249	LEU	0	-0.012	-0.005	20.315	-0.424	-0.424	0.000	0.000	0.000	0.000
251	A	250	GLU	-1	-0.964	-0.972	22.606	38.944	38.944	0.000	0.000	0.000	0.000
252	A	251	THR	0	-0.092	-0.052	22.179	-1.185	-1.185	0.000	0.000	0.000	0.000
253	A	252	PHE	0	-0.016	-0.024	17.315	-0.024	-0.024	0.000	0.000	0.000	0.000
254	A	253	ALA	0	0.005	0.026	22.743	-0.617	-0.617	0.000	0.000	0.000	0.000
255	A	254	ASP	-1	-0.837	-0.895	25.598	42.649	42.649	0.000	0.000	0.000	0.000
256	A	255	ASN	0	-0.009	-0.009	21.393	0.302	0.302	0.000	0.000	0.000	0.000
257	A	256	ALA	0	0.032	0.015	21.070	2.720	2.720	0.000	0.000	0.000	0.000
258	A	257	ASP	-1	-0.887	-0.947	20.833	50.457	50.457	0.000	0.000	0.000	0.000
259	A	258	HIS	1	0.799	0.894	18.350	-51.145	-51.145	0.000	0.000	0.000	0.000
260	A	259	ILE	0	-0.003	0.005	16.003	3.852	3.852	0.000	0.000	0.000	0.000
261	A	260	ALA	0	-0.045	-0.017	12.816	-1.554	-1.554	0.000	0.000	0.000	0.000
262	A	261	PHE	0	-0.008	-0.007	13.531	0.151	0.151	0.000	0.000	0.000	0.000
263	A	262	LEU	0	-0.008	-0.004	5.627	1.120	1.120	0.000	0.000	0.000	0.000
264	A	263	VAL	0	-0.002	-0.014	9.937	-4.570	-4.570	0.000	0.000	0.000	0.000
265	A	264	ASP	-1	-0.810	-0.929	7.090	110.437	110.437	0.000	0.000	0.000	0.000
266	A	265	GLY	0	-0.017	-0.021	9.143	-5.767	-5.767	0.000	0.000	0.000	0.000
267	A	266	TYR	0	-0.063	-0.016	8.280	-4.720	-4.720	0.000	0.000	0.000	0.000
268	A	267	VAL	0	-0.012	-0.006	9.982	-5.326	-5.326	0.000	0.000	0.000	0.000
269	A	268	ALA	0	0.014	0.003	12.066	-5.378	-5.378	0.000	0.000	0.000	0.000
270	A	269	GLY	0	0.022	0.010	13.243	-4.890	-4.890	0.000	0.000	0.000	0.000
271	A	270	PRO	0	0.030	0.008	14.886	0.771	0.771	0.000	0.000	0.000	0.000
272	A	271	ALA	0	0.020	0.021	16.184	-0.865	-0.865	0.000	0.000	0.000	0.000
273	A	272	ALA	0	0.011	0.003	15.165	-1.528	-1.528	0.000	0.000	0.000	0.000
274	A	273	VAL	0	-0.015	-0.006	12.752	0.426	0.426	0.000	0.000	0.000	0.000
275	A	274	THR	0	0.036	0.013	15.489	-1.163	-1.163	0.000	0.000	0.000	0.000
276	A	275	THR	0	-0.017	0.005	18.853	-3.016	-3.016	0.000	0.000	0.000	0.000
277	A	276	ALA	0	0.023	0.013	16.188	-1.703	-1.703	0.000	0.000	0.000	0.000
278	A	277	ARG	1	0.811	0.916	17.925	-53.454	-53.454	0.000	0.000	0.000	0.000
279	A	278	ARG	1	0.728	0.819	19.453	-46.616	-46.616	0.000	0.000	0.000	0.000
280	A	279	ALA	0	-0.028	0.006	21.520	-1.915	-1.915	0.000	0.000	0.000	0.000
281	A	280	PHE	0	-0.009	-0.011	19.229	-1.216	-1.216	0.000	0.000	0.000	0.000
282	A	281	PRO	0	0.036	0.039	20.196	1.948	1.948	0.000	0.000	0.000	0.000
283	A	282	LYS	1	0.919	0.963	21.819	-45.533	-45.533	0.000	0.000	0.000	0.000
284	A	283	GLN	0	-0.023	-0.009	18.120	-2.396	-2.396	0.000	0.000	0.000	0.000
285	A	284	TYR	0	-0.003	-0.015	11.989	2.245	2.245	0.000	0.000	0.000	0.000
286	A	285	LEU	0	0.020	0.016	13.293	1.994	1.994	0.000	0.000	0.000	0.000
287	A	286	HIS	0	-0.013	-0.036	6.021	-7.449	-7.449	0.000	0.000	0.000	0.000
288	A	287	TYR	0	0.033	0.010	7.235	1.557	1.557	0.000	0.000	0.000	0.000
292	A	291	GLY	0	0.071	0.034	5.470	-12.713	-12.713	0.000	0.000	0.000	0.000
294	A	293	GLY	0	-0.007	0.007	6.928	-8.199	-8.199	0.000	0.000	0.000	0.000
295	A	294	ALA	0	0.021	0.012	8.355	-7.274	-7.274	0.000	0.000	0.000	0.000
296	A	295	VAL	0	-0.032	-0.019	11.076	-6.187	-6.187	0.000	0.000	0.000	0.000
297	A	296	THR	0	-0.060	-0.022	8.347	1.333	1.333	0.000	0.000	0.000	0.000
298	A	297	SER	0	-0.005	-0.004	9.946	-3.802	-3.802	0.000	0.000	0.000	0.000
299	A	298	PRO	0	0.014	-0.011	10.464	-6.071	-6.071	0.000	0.000	0.000	0.000
300	A	299	GLN	0	0.015	0.022	13.216	-3.336	-3.336	0.000	0.000	0.000	0.000
301	A	300	SER	0	-0.009	0.008	14.237	-5.532	-5.532	0.000	0.000	0.000	0.000
302	A	301	LYS	1	0.935	0.972	15.976	-52.430	-52.430	0.000	0.000	0.000	0.000
303	A	302	ARG	1	0.828	0.909	17.511	-52.558	-52.558	0.000	0.000	0.000	0.000
304	A	303	GLY	0	0.053	0.024	16.012	3.643	3.643	0.000	0.000	0.000	0.000
305	A	304	TYR	0	0.013	0.002	11.432	-1.487	-1.487	0.000	0.000	0.000	0.000
306	A	305	THR	0	0.044	0.023	12.606	5.309	5.309	0.000	0.000	0.000	0.000
307	A	306	ALA	0	0.071	0.020	7.932	0.240	0.240	0.000	0.000	0.000	0.000
308	A	307	PHE	0	0.028	0.023	9.803	2.246	2.246	0.000	0.000	0.000	0.000
309	A	308	VAL	0	0.019	0.010	12.543	-1.396	-1.396	0.000	0.000	0.000	0.000
310	A	309	LEU	0	0.003	-0.003	7.317	-1.514	-1.514	0.000	0.000	0.000	0.000
311	A	310	SER	0	0.002	-0.015	9.264	2.543	2.543	0.000	0.000	0.000	0.000
312	A	311	LYS	1	0.815	0.908	10.848	-56.661	-56.661	0.000	0.000	0.000	0.000
313	A	312	MET	0	-0.011	-0.008	13.634	-4.189	-4.189	0.000	0.000	0.000	0.000
314	A	313	ALA	0	-0.006	0.008	10.966	-2.711	-2.711	0.000	0.000	0.000	0.000
315	A	314	ARG	1	0.814	0.920	13.028	-59.639	-59.639	0.000	0.000	0.000	0.000
316	A	315	LEU	0	-0.021	-0.021	15.465	-2.871	-2.871	0.000	0.000	0.000	0.000
317	A	316	GLN	0	-0.005	-0.022	13.314	-2.589	-2.589	0.000	0.000	0.000	0.000
318	A	317	GLY	0	0.013	0.020	16.552	-1.746	-1.746	0.000	0.000	0.000	0.000
319	A	318	ALA	0	-0.014	-0.005	11.848	0.033	0.033	0.000	0.000	0.000	0.000
320	A	319	SER	0	0.010	0.015	13.971	-1.804	-1.804	0.000	0.000	0.000	0.000
321	A	320	GLY	0	-0.001	0.000	10.965	-1.661	-1.661	0.000	0.000	0.000	0.000
322	A	321	ILE	0	0.000	0.003	6.673	-1.688	-1.688	0.000	0.000	0.000	0.000
327	A	326	MET	0	-0.044	-0.012	6.671	-15.819	-15.819	0.000	0.000	0.000	0.000
328	A	327	GLY	0	0.058	0.039	8.133	-9.139	-9.139	0.000	0.000	0.000	0.000
329	A	328	PHE	0	-0.053	-0.027	9.563	-5.178	-5.178	0.000	0.000	0.000	0.000
330	A	329	GLY	0	0.010	0.003	7.198	-0.902	-0.902	0.000	0.000	0.000	0.000
334	A	333	GLY	0	-0.022	-0.012	5.926	13.297	13.297	0.000	0.000	0.000	0.000
335	A	334	GLU	-1	-0.921	-0.959	8.037	71.682	71.682	0.000	0.000	0.000	0.000
336	A	335	ALA	0	0.041	0.023	10.991	2.593	2.593	0.000	0.000	0.000	0.000
337	A	336	ALA	0	-0.013	-0.019	13.300	-1.045	-1.045	0.000	0.000	0.000	0.000
338	A	337	ASP	-1	-0.823	-0.919	8.760	96.301	96.301	0.000	0.000	0.000	0.000
339	A	338	ARG	1	0.871	0.924	11.442	-63.655	-63.655	0.000	0.000	0.000	0.000
340	A	339	ALA	0	-0.007	-0.006	13.363	-1.755	-1.755	0.000	0.000	0.000	0.000
341	A	340	ILE	0	-0.024	-0.014	9.479	-3.254	-3.254	0.000	0.000	0.000	0.000
342	A	341	ALA	0	-0.020	-0.011	11.598	-0.861	-0.861	0.000	0.000	0.000	0.000
343	A	342	TYR	0	0.001	-0.042	12.817	-2.588	-2.588	0.000	0.000	0.000	0.000
344	A	343	MET	0	-0.025	0.012	15.443	-3.667	-3.667	0.000	0.000	0.000	0.000
345	A	344	ILE	0	-0.038	-0.022	11.050	-2.253	-2.253	0.000	0.000	0.000	0.000
346	A	345	THR	0	-0.028	-0.014	14.365	0.439	0.439	0.000	0.000	0.000	0.000
347	A	346	GLU	-1	-0.890	-0.933	16.931	52.811	52.811	0.000	0.000	0.000	0.000
348	A	347	ASP	-1	-0.879	-0.936	20.359	45.292	45.292	0.000	0.000	0.000	0.000
349	A	348	ALA	0	0.003	-0.002	23.343	-1.226	-1.226	0.000	0.000	0.000	0.000
350	A	349	ALA	0	-0.015	-0.004	19.924	1.008	1.008	0.000	0.000	0.000	0.000
351	A	350	ASP	-1	-0.860	-0.919	21.456	44.328	44.328	0.000	0.000	0.000	0.000
352	A	351	GLY	0	0.006	-0.006	18.806	2.976	2.976	0.000	0.000	0.000	0.000
353	A	352	PRO	0	-0.095	-0.048	17.593	-1.744	-1.744	0.000	0.000	0.000	0.000
354	A	353	TYR	0	-0.035	-0.027	20.394	-2.254	-2.254	0.000	0.000	0.000	0.000
355	A	354	PHE	0	-0.041	-0.008	22.537	-2.073	-2.073	0.000	0.000	0.000	0.000
356	A	355	HIS	1	0.835	0.915	22.831	-41.755	-41.755	0.000	0.000	0.000	0.000
357	A	356	GLN	0	-0.017	-0.024	21.184	-0.277	-0.277	0.000	0.000	0.000	0.000
358	A	357	GLU	-1	-0.819	-0.903	23.882	42.123	42.123	0.000	0.000	0.000	0.000
359	A	358	TRP	0	0.013	-0.021	17.930	0.153	0.153	0.000	0.000	0.000	0.000
360	A	359	LEU	0	-0.056	-0.028	24.054	-0.424	-0.424	0.000	0.000	0.000	0.000
361	A	360	GLY	0	0.010	0.011	26.073	-0.941	-0.941	0.000	0.000	0.000	0.000
362	A	361	MET	0	-0.060	-0.006	20.760	1.295	1.295	0.000	0.000	0.000	0.000
363	A	362	ASN	0	-0.037	-0.028	20.260	0.171	0.171	0.000	0.000	0.000	0.000
364	A	363	PRO	0	-0.009	0.009	17.273	1.056	1.056	0.000	0.000	0.000	0.000
365	A	364	THR	0	-0.013	-0.019	11.845	-1.168	-1.168	0.000	0.000	0.000	0.000
366	A	365	THR	0	-0.047	-0.038	11.497	-1.150	-1.150	0.000	0.000	0.000	0.000
367	A	366	PRO	0	0.027	0.010	9.150	4.702	4.702	0.000	0.000	0.000	0.000
368	A	367	ILE	0	-0.043	-0.005	5.848	-4.809	-4.809	0.000	0.000	0.000	0.000
375	A	374	ALA	0	0.031	0.003	7.744	-4.180	-4.180	0.000	0.000	0.000	0.000
376	A	375	LEU	0	-0.012	-0.006	11.288	-4.832	-4.832	0.000	0.000	0.000	0.000
377	A	376	ARG	1	0.822	0.888	8.470	-114.605	-114.605	0.000	0.000	0.000	0.000
378	A	377	MET	0	-0.051	-0.003	9.904	1.014	1.014	0.000	0.000	0.000	0.000
379	A	378	PRO	0	0.009	0.005	12.227	-1.522	-1.522	0.000	0.000	0.000	0.000
380	A	379	GLY	0	0.046	0.029	15.342	-2.260	-2.260	0.000	0.000	0.000	0.000
381	A	380	PHE	0	-0.001	0.002	9.249	-0.747	-0.747	0.000	0.000	0.000	0.000
382	A	381	PHE	0	0.018	-0.014	12.960	-0.036	-0.036	0.000	0.000	0.000	0.000
383	A	382	ASP	-1	-0.887	-0.918	15.774	58.050	58.050	0.000	0.000	0.000	0.000
384	A	383	ASN	0	-0.057	-0.006	13.128	-7.123	-7.123	0.000	0.000	0.000	0.000
385	A	384	LEU	0	-0.033	-0.003	12.147	-1.434	-1.434	0.000	0.000	0.000	0.000
386	A	385	GLY	0	0.046	0.040	15.495	-3.048	-3.048	0.000	0.000	0.000	0.000
387	A	386	HIS	0	-0.035	-0.028	14.613	-3.726	-3.726	0.000	0.000	0.000	0.000
388	A	387	SER	0	0.013	-0.013	15.064	3.104	3.104	0.000	0.000	0.000	0.000
389	A	388	ASN	0	-0.045	-0.025	15.843	0.334	0.334	0.000	0.000	0.000	0.000
390	A	389	LEU	0	-0.015	-0.005	10.510	-0.563	-0.563	0.000	0.000	0.000	0.000
391	A	390	ILE	0	0.016	0.013	9.312	-3.330	-3.330	0.000	0.000	0.000	0.000
392	A	391	MET	0	-0.008	0.006	7.358	5.628	5.628	0.000	0.000	0.000	0.000
398	A	397	ALA	0	-0.035	-0.009	5.929	-18.656	-18.656	0.000	0.000	0.000	0.000
399	A	398	PHE	0	0.009	-0.022	6.637	-15.132	-15.132	0.000	0.000	0.000	0.000
400	A	399	GLY	0	0.037	0.013	7.368	-7.032	-7.032	0.000	0.000	0.000	0.000
401	A	400	HIS	0	-0.067	-0.020	8.565	-6.372	-6.372	0.000	0.000	0.000	0.000
402	A	401	VAL	0	-0.004	-0.010	11.473	-2.429	-2.429	0.000	0.000	0.000	0.000
403	A	402	ASP	-1	-0.854	-0.914	14.668	55.234	55.234	0.000	0.000	0.000	0.000
404	A	403	GLY	0	-0.006	0.000	13.380	-2.723	-2.723	0.000	0.000	0.000	0.000
405	A	404	GLY	0	0.058	0.017	11.276	2.276	2.276	0.000	0.000	0.000	0.000
406	A	405	ALA	0	0.013	0.014	12.271	2.033	2.033	0.000	0.000	0.000	0.000
407	A	406	ALA	0	-0.012	-0.011	15.049	-0.526	-0.526	0.000	0.000	0.000	0.000
408	A	407	GLY	0	0.083	0.037	10.952	0.021	0.021	0.000	0.000	0.000	0.000
409	A	408	ALA	0	0.027	0.042	11.189	2.896	2.896	0.000	0.000	0.000	0.000
410	A	409	LYS	1	0.943	0.969	12.109	-57.610	-57.610	0.000	0.000	0.000	0.000
411	A	410	SER	0	-0.057	-0.038	11.728	-0.769	-0.769	0.000	0.000	0.000	0.000
412	A	411	LEU	0	0.043	0.002	7.777	-0.913	-0.913	0.000	0.000	0.000	0.000
413	A	412	ARG	1	0.795	0.863	11.815	-68.744	-68.744	0.000	0.000	0.000	0.000
414	A	413	GLN	0	-0.023	-0.034	15.026	-1.623	-1.623	0.000	0.000	0.000	0.000
415	A	414	ALA	0	0.029	0.024	13.245	-2.572	-2.572	0.000	0.000	0.000	0.000
416	A	415	GLU	-1	-0.850	-0.910	14.581	62.965	62.965	0.000	0.000	0.000	0.000
417	A	416	GLN	0	0.001	-0.003	16.197	-3.375	-3.375	0.000	0.000	0.000	0.000
418	A	417	CYS	0	-0.012	0.004	18.338	-3.151	-3.151	0.000	0.000	0.000	0.000
419	A	418	TRP	0	-0.043	-0.025	17.769	-1.450	-1.450	0.000	0.000	0.000	0.000
420	A	419	LYS	1	0.917	0.966	19.667	-59.268	-59.268	0.000	0.000	0.000	0.000
421	A	420	GLN	0	-0.086	-0.049	21.722	-1.682	-1.682	0.000	0.000	0.000	0.000
422	A	421	GLY	0	-0.002	0.019	23.132	-2.045	-2.045	0.000	0.000	0.000	0.000
423	A	422	ALA	0	-0.052	-0.018	23.471	-1.829	-1.829	0.000	0.000	0.000	0.000
424	A	423	ASP	-1	-0.817	-0.922	22.893	50.917	50.917	0.000	0.000	0.000	0.000
425	A	424	PRO	0	0.050	0.013	18.707	-0.487	-0.487	0.000	0.000	0.000	0.000
426	A	425	VAL	0	-0.002	-0.006	20.787	0.117	0.117	0.000	0.000	0.000	0.000
427	A	426	GLU	-1	-0.923	-0.969	22.630	40.722	40.722	0.000	0.000	0.000	0.000
428	A	427	PHE	0	0.005	-0.003	19.189	-1.111	-1.111	0.000	0.000	0.000	0.000
429	A	428	ALA	0	-0.046	-0.020	20.268	0.014	0.014	0.000	0.000	0.000	0.000
430	A	429	LYS	1	0.891	0.949	21.731	-41.440	-41.440	0.000	0.000	0.000	0.000
431	A	430	ASP	-1	-0.930	-0.943	24.811	41.349	41.349	0.000	0.000	0.000	0.000
432	A	431	HIS	1	0.795	0.894	20.350	-50.467	-50.467	0.000	0.000	0.000	0.000
433	A	432	ARG	1	1.039	1.024	20.477	-48.677	-48.677	0.000	0.000	0.000	0.000
434	A	433	GLU	-1	-0.865	-0.932	16.183	56.579	56.579	0.000	0.000	0.000	0.000
435	A	434	PHE	0	0.010	0.000	14.693	3.262	3.262	0.000	0.000	0.000	0.000
436	A	435	ALA	0	0.017	0.007	16.533	2.071	2.071	0.000	0.000	0.000	0.000
437	A	436	ARG	1	0.751	0.861	17.340	-56.172	-56.172	0.000	0.000	0.000	0.000
438	A	437	ALA	0	0.033	0.032	12.636	2.243	2.243	0.000	0.000	0.000	0.000
439	A	438	PHE	0	-0.018	-0.017	13.943	3.296	3.296	0.000	0.000	0.000	0.000
440	A	439	GLU	-1	-0.948	-0.991	16.536	53.737	53.737	0.000	0.000	0.000	0.000
441	A	440	SER	0	-0.038	-0.001	12.043	-0.458	-0.458	0.000	0.000	0.000	0.000
442	A	441	PHE	0	-0.017	-0.002	8.273	3.798	3.798	0.000	0.000	0.000	0.000
443	A	442	PRO	0	0.032	0.017	12.868	-0.921	-0.921	0.000	0.000	0.000	0.000
444	A	443	GLN	0	0.053	0.017	14.024	0.001	0.001	0.000	0.000	0.000	0.000
445	A	444	ASP	-1	-0.790	-0.871	10.339	98.956	98.956	0.000	0.000	0.000	0.000
446	A	445	ALA	0	-0.012	-0.002	13.970	-2.317	-2.317	0.000	0.000	0.000	0.000
447	A	446	ASP	-1	-0.887	-0.926	16.886	54.417	54.417	0.000	0.000	0.000	0.000
448	A	447	LYS	1	0.920	0.950	16.331	-70.309	-70.309	0.000	0.000	0.000	0.000
449	A	448	LEU	0	-0.044	-0.013	14.714	-2.157	-2.157	0.000	0.000	0.000	0.000
450	A	449	TYR	0	-0.028	-0.020	16.033	-3.663	-3.663	0.000	0.000	0.000	0.000
451	A	450	PRO	0	0.085	0.043	20.772	-1.239	-1.239	0.000	0.000	0.000	0.000
452	A	451	ASN	0	-0.075	-0.041	23.255	0.111	0.111	0.000	0.000	0.000	0.000
453	A	452	TRP	0	-0.005	-0.030	19.904	-2.385	-2.385	0.000	0.000	0.000	0.000
454	A	453	ARG	1	0.944	0.970	20.368	-54.140	-54.140	0.000	0.000	0.000	0.000
455	A	454	ALA	0	-0.050	-0.008	24.838	-1.145	-1.145	0.000	0.000	0.000	0.000
456	A	455	LYS	1	0.855	0.944	26.092	-45.823	-45.823	0.000	0.000	0.000	0.000
457	A	456	LEU	0	0.047	0.035	21.554	-0.053	-0.053	0.000	0.000	0.000	0.000
458	B	1	MET	0	-0.007	-0.011	10.658	1.092	1.092	0.000	0.000	0.000	0.000
459	B	2	ASP	-1	-0.818	-0.882	12.815	66.148	66.148	0.000	0.000	0.000	0.000
460	B	3	GLN	0	-0.006	-0.014	8.630	-3.469	-3.469	0.000	0.000	0.000	0.000
461	B	4	SER	0	0.021	-0.030	14.264	-0.303	-0.303	0.000	0.000	0.000	0.000
462	B	5	ASN	0	-0.044	-0.028	17.646	-2.426	-2.426	0.000	0.000	0.000	0.000
463	B	6	ARG	1	0.798	0.905	10.867	-84.284	-84.284	0.000	0.000	0.000	0.000
464	B	7	TYR	0	-0.005	-0.012	10.931	0.871	0.871	0.000	0.000	0.000	0.000
465	B	8	ALA	0	-0.002	0.007	16.384	-0.063	-0.063	0.000	0.000	0.000	0.000
466	B	9	ASN	0	0.013	-0.005	19.763	-2.616	-2.616	0.000	0.000	0.000	0.000
467	B	10	LEU	0	0.004	0.000	23.167	-0.669	-0.669	0.000	0.000	0.000	0.000
468	B	11	ASN	0	-0.033	-0.003	25.813	-2.028	-2.028	0.000	0.000	0.000	0.000
469	B	12	LEU	0	-0.048	-0.009	23.895	-1.490	-1.490	0.000	0.000	0.000	0.000
470	B	13	LYS	1	0.994	0.998	27.944	-35.503	-35.503	0.000	0.000	0.000	0.000
471	B	14	GLU	-1	-0.711	-0.850	27.253	43.679	43.679	0.000	0.000	0.000	0.000
472	B	15	SER	0	0.014	-0.004	29.228	0.163	0.163	0.000	0.000	0.000	0.000
473	B	16	GLU	-1	-0.942	-0.979	31.393	36.704	36.704	0.000	0.000	0.000	0.000
474	B	17	LEU	0	-0.015	0.001	25.089	0.088	0.088	0.000	0.000	0.000	0.000
475	B	18	ILE	0	-0.034	-0.011	28.131	0.395	0.395	0.000	0.000	0.000	0.000
476	B	19	ALA	0	-0.044	-0.020	29.645	-0.377	-0.377	0.000	0.000	0.000	0.000
477	B	20	GLY	0	-0.005	0.005	29.852	-0.589	-0.589	0.000	0.000	0.000	0.000
478	B	21	GLY	0	-0.016	-0.007	28.534	-0.154	-0.154	0.000	0.000	0.000	0.000
479	B	22	ARG	1	0.830	0.905	24.936	-44.521	-44.521	0.000	0.000	0.000	0.000
480	B	23	HIS	0	0.054	0.019	21.654	0.581	0.581	0.000	0.000	0.000	0.000
481	B	24	VAL	0	-0.005	0.007	19.229	-2.045	-2.045	0.000	0.000	0.000	0.000
482	B	25	LEU	0	-0.036	0.013	20.702	1.911	1.911	0.000	0.000	0.000	0.000
483	B	26	CYS	0	-0.028	-0.005	16.702	-0.968	-0.968	0.000	0.000	0.000	0.000
484	B	27	ALA	0	0.037	0.033	19.940	0.426	0.426	0.000	0.000	0.000	0.000
485	B	28	TYR	0	-0.022	-0.041	14.274	0.075	0.075	0.000	0.000	0.000	0.000
486	B	29	ILE	0	0.011	0.016	19.356	-1.724	-1.724	0.000	0.000	0.000	0.000
487	B	30	MET	0	-0.052	-0.028	15.858	2.359	2.359	0.000	0.000	0.000	0.000
488	B	31	LYS	1	0.935	0.974	17.872	-57.612	-57.612	0.000	0.000	0.000	0.000
489	B	32	PRO	0	0.037	0.009	16.749	3.499	3.499	0.000	0.000	0.000	0.000
490	B	33	LYS	1	0.807	0.919	11.848	-90.464	-90.464	0.000	0.000	0.000	0.000
491	B	34	ALA	0	-0.005	-0.014	17.043	-0.294	-0.294	0.000	0.000	0.000	0.000
492	B	35	GLY	0	-0.015	-0.011	18.623	1.603	1.603	0.000	0.000	0.000	0.000
493	B	36	PHE	0	-0.008	-0.001	12.711	3.165	3.165	0.000	0.000	0.000	0.000
494	B	37	GLY	0	0.027	0.023	15.582	-3.263	-3.263	0.000	0.000	0.000	0.000
495	B	38	ASN	0	0.037	0.013	17.139	1.551	1.551	0.000	0.000	0.000	0.000
496	B	39	PHE	0	0.070	0.026	18.561	3.590	3.590	0.000	0.000	0.000	0.000
497	B	40	ILE	0	0.024	-0.001	19.008	2.281	2.281	0.000	0.000	0.000	0.000
498	B	41	GLN	0	-0.010	-0.002	16.061	3.051	3.051	0.000	0.000	0.000	0.000
499	B	42	THR	0	-0.015	-0.002	14.191	5.658	5.658	0.000	0.000	0.000	0.000
500	B	43	ALA	0	0.002	-0.003	14.136	5.196	5.196	0.000	0.000	0.000	0.000
501	B	44	ALA	0	0.004	0.010	15.181	2.226	2.226	0.000	0.000	0.000	0.000
502	B	45	HIS	1	0.757	0.856	6.542	-118.949	-118.949	0.000	0.000	0.000	0.000
503	B	46	PHE	0	0.036	-0.002	10.399	8.951	8.951	0.000	0.000	0.000	0.000
504	B	47	VAL	0	0.020	0.015	11.050	4.188	4.188	0.000	0.000	0.000	0.000
505	B	48	ALA	0	-0.001	0.030	9.236	1.706	1.706	0.000	0.000	0.000	0.000
507	B	50	SER	0	-0.040	-0.015	7.476	5.276	5.276	0.000	0.000	0.000	0.000
508	B	51	SER	0	-0.032	-0.040	10.141	-8.227	-8.227	0.000	0.000	0.000	0.000
509	B	52	THR	0	-0.030	-0.053	10.260	4.612	4.612	0.000	0.000	0.000	0.000
510	B	53	GLY	0	-0.013	0.002	7.841	-0.486	-0.486	0.000	0.000	0.000	0.000
514	B	57	GLU	-1	-0.929	-0.968	6.827	79.266	79.266	0.000	0.000	0.000	0.000
515	B	58	VAL	0	-0.010	-0.005	5.797	3.379	3.379	0.000	0.000	0.000	0.000
516	B	59	SER	0	0.001	-0.006	8.911	-6.135	-6.135	0.000	0.000	0.000	0.000
517	B	60	THR	0	-0.015	-0.036	9.426	-4.551	-4.551	0.000	0.000	0.000	0.000
518	B	61	THR	0	-0.052	-0.017	10.308	-0.670	-0.670	0.000	0.000	0.000	0.000
519	B	62	ASP	-1	-0.831	-0.901	12.603	61.352	61.352	0.000	0.000	0.000	0.000
520	B	63	ASP	-1	-0.835	-0.942	16.199	55.900	55.900	0.000	0.000	0.000	0.000
521	B	64	PHE	0	-0.107	-0.042	17.821	-1.796	-1.796	0.000	0.000	0.000	0.000
522	B	65	THR	0	-0.012	-0.030	12.214	1.402	1.402	0.000	0.000	0.000	0.000
523	B	66	ARG	1	0.905	0.940	14.916	-63.491	-63.491	0.000	0.000	0.000	0.000
524	B	67	GLY	0	-0.040	0.004	16.596	-1.108	-1.108	0.000	0.000	0.000	0.000
525	B	68	VAL	0	-0.060	-0.026	15.581	-1.800	-1.800	0.000	0.000	0.000	0.000
526	B	69	ASP	-1	-0.712	-0.801	14.243	78.166	78.166	0.000	0.000	0.000	0.000
527	B	70	ALA	0	-0.011	-0.003	15.024	-3.730	-3.730	0.000	0.000	0.000	0.000
528	B	71	LEU	0	-0.021	-0.018	16.599	0.724	0.724	0.000	0.000	0.000	0.000
529	B	72	VAL	0	0.005	0.009	17.911	-1.169	-1.169	0.000	0.000	0.000	0.000
530	B	73	TYR	0	-0.051	-0.049	20.214	-0.559	-0.559	0.000	0.000	0.000	0.000
531	B	74	GLU	-1	-0.876	-0.950	23.363	41.543	41.543	0.000	0.000	0.000	0.000
532	B	75	VAL	0	-0.051	-0.029	21.900	2.529	2.529	0.000	0.000	0.000	0.000
533	B	76	ASP	-1	-0.791	-0.885	24.584	40.531	40.531	0.000	0.000	0.000	0.000
534	B	77	GLU	-1	-0.935	-0.963	24.176	50.307	50.307	0.000	0.000	0.000	0.000
535	B	78	ALA	0	-0.044	-0.016	25.574	0.419	0.419	0.000	0.000	0.000	0.000
536	B	79	ASN	0	-0.090	-0.066	27.572	-0.995	-0.995	0.000	0.000	0.000	0.000
537	B	80	SER	0	-0.063	-0.026	22.442	1.118	1.118	0.000	0.000	0.000	0.000
538	B	81	LEU	0	0.002	0.019	22.138	2.489	2.489	0.000	0.000	0.000	0.000
539	B	82	MET	0	-0.021	-0.006	15.666	0.557	0.557	0.000	0.000	0.000	0.000
540	B	83	LYS	1	0.843	0.932	20.516	-43.703	-43.703	0.000	0.000	0.000	0.000
541	B	84	ILE	0	0.005	-0.005	15.431	0.383	0.383	0.000	0.000	0.000	0.000
542	B	85	ALA	0	-0.008	-0.006	19.438	-1.604	-1.604	0.000	0.000	0.000	0.000
543	B	86	TYR	0	0.018	-0.034	13.552	3.377	3.377	0.000	0.000	0.000	0.000
544	B	87	PRO	0	0.032	0.033	17.637	-2.885	-2.885	0.000	0.000	0.000	0.000
545	B	88	ILE	0	0.003	-0.008	18.559	2.113	2.113	0.000	0.000	0.000	0.000
546	B	89	GLU	-1	-0.906	-0.966	19.479	52.423	52.423	0.000	0.000	0.000	0.000
547	B	90	LEU	0	-0.034	-0.011	13.696	1.471	1.471	0.000	0.000	0.000	0.000
548	B	91	PHE	0	-0.038	0.001	14.650	3.106	3.106	0.000	0.000	0.000	0.000
549	B	92	ASP	-1	-0.734	-0.877	14.253	63.464	63.464	0.000	0.000	0.000	0.000
550	B	93	ARG	1	0.828	0.910	16.295	-55.593	-55.593	0.000	0.000	0.000	0.000
551	B	94	ASN	0	-0.020	-0.006	19.353	3.333	3.333	0.000	0.000	0.000	0.000
552	B	95	VAL	0	-0.037	-0.047	20.128	-1.557	-1.557	0.000	0.000	0.000	0.000
553	B	96	ILE	0	-0.071	-0.026	22.661	-1.970	-1.970	0.000	0.000	0.000	0.000
554	B	97	ASP	-1	-0.778	-0.891	24.919	42.683	42.683	0.000	0.000	0.000	0.000
555	B	98	GLY	0	-0.023	-0.006	24.152	-1.032	-1.032	0.000	0.000	0.000	0.000
556	B	99	ARG	1	0.831	0.925	24.333	-39.886	-39.886	0.000	0.000	0.000	0.000
557	B	100	ALA	0	-0.025	-0.013	20.879	1.966	1.966	0.000	0.000	0.000	0.000
558	B	101	MET	0	-0.026	0.017	16.044	0.244	0.244	0.000	0.000	0.000	0.000
559	B	102	ILE	0	-0.013	-0.029	17.478	1.973	1.973	0.000	0.000	0.000	0.000
560	B	103	ALA	0	0.025	0.005	13.633	2.953	2.953	0.000	0.000	0.000	0.000
561	B	104	SER	0	0.016	0.029	12.624	3.939	3.939	0.000	0.000	0.000	0.000
562	B	105	PHE	0	0.018	-0.006	12.942	3.755	3.755	0.000	0.000	0.000	0.000
563	B	106	LEU	0	-0.002	0.008	12.666	2.035	2.035	0.000	0.000	0.000	0.000
564	B	107	THR	0	-0.008	0.003	7.695	3.228	3.228	0.000	0.000	0.000	0.000
565	B	108	LEU	0	-0.018	-0.003	8.466	8.353	8.353	0.000	0.000	0.000	0.000
566	B	109	THR	0	-0.041	-0.032	10.571	2.358	2.358	0.000	0.000	0.000	0.000
567	B	110	ILE	0	-0.058	-0.009	11.350	-1.883	-1.883	0.000	0.000	0.000	0.000
568	B	111	GLY	0	0.112	0.058	7.481	0.010	0.010	0.000	0.000	0.000	0.000
571	B	114	GLN	0	0.005	-0.006	7.881	-9.129	-9.129	0.000	0.000	0.000	0.000
572	B	115	GLY	0	0.005	0.001	5.593	-5.761	-5.761	0.000	0.000	0.000	0.000
573	B	116	MET	0	-0.046	0.004	6.392	5.695	5.695	0.000	0.000	0.000	0.000
574	B	117	GLY	0	0.050	0.034	8.307	-8.951	-8.951	0.000	0.000	0.000	0.000
575	B	118	ASP	-1	-0.826	-0.911	9.781	95.520	95.520	0.000	0.000	0.000	0.000
576	B	119	VAL	0	-0.014	-0.010	11.912	-7.757	-7.757	0.000	0.000	0.000	0.000
577	B	120	GLU	-1	-0.909	-0.954	12.731	62.083	62.083	0.000	0.000	0.000	0.000
578	B	121	TYR	0	-0.021	-0.028	14.333	0.206	0.206	0.000	0.000	0.000	0.000
579	B	122	ALA	0	0.030	0.010	13.701	-1.786	-1.786	0.000	0.000	0.000	0.000
580	B	123	LYS	1	0.817	0.946	14.875	-52.459	-52.459	0.000	0.000	0.000	0.000
581	B	124	MET	0	-0.013	-0.003	15.583	-3.304	-3.304	0.000	0.000	0.000	0.000
582	B	125	TYR	0	-0.029	-0.040	18.281	-1.142	-1.142	0.000	0.000	0.000	0.000
583	B	126	ASP	-1	-0.756	-0.898	21.472	43.132	43.132	0.000	0.000	0.000	0.000
584	B	127	PHE	0	-0.007	-0.013	20.178	2.545	2.545	0.000	0.000	0.000	0.000
585	B	128	TYR	0	0.015	0.023	22.217	-2.565	-2.565	0.000	0.000	0.000	0.000
586	B	129	VAL	0	0.012	-0.001	22.410	2.043	2.043	0.000	0.000	0.000	0.000
587	B	130	PRO	0	0.041	0.040	24.175	-2.014	-2.014	0.000	0.000	0.000	0.000
588	B	131	PRO	0	0.107	0.031	27.034	0.726	0.726	0.000	0.000	0.000	0.000
589	B	132	ALA	0	-0.082	-0.042	27.029	-0.113	-0.113	0.000	0.000	0.000	0.000
590	B	133	TYR	0	0.047	0.009	18.696	0.389	0.389	0.000	0.000	0.000	0.000
591	B	134	LEU	0	0.029	0.022	24.858	0.520	0.520	0.000	0.000	0.000	0.000
592	B	135	LYS	1	0.912	0.956	26.856	-40.149	-40.149	0.000	0.000	0.000	0.000
593	B	136	LEU	0	-0.095	-0.043	23.976	-0.839	-0.839	0.000	0.000	0.000	0.000
594	B	137	PHE	0	0.029	0.017	20.439	1.158	1.158	0.000	0.000	0.000	0.000
595	B	138	ASP	-1	-0.825	-0.886	25.622	41.364	41.364	0.000	0.000	0.000	0.000
596	B	139	GLY	0	0.027	0.020	27.471	-1.511	-1.511	0.000	0.000	0.000	0.000
597	B	140	PRO	0	-0.028	-0.006	29.453	-0.163	-0.163	0.000	0.000	0.000	0.000
598	B	141	SER	0	-0.030	-0.027	31.771	-0.319	-0.319	0.000	0.000	0.000	0.000
599	B	142	THR	0	-0.038	-0.004	34.376	-1.331	-1.331	0.000	0.000	0.000	0.000
600	B	143	THR	0	0.000	-0.009	35.203	0.559	0.559	0.000	0.000	0.000	0.000
601	B	144	ILE	0	0.088	0.034	37.464	-0.406	-0.406	0.000	0.000	0.000	0.000
602	B	145	LYS	1	0.942	0.976	39.792	-29.063	-29.063	0.000	0.000	0.000	0.000
603	B	146	ASP	-1	-0.823	-0.912	39.868	28.759	28.759	0.000	0.000	0.000	0.000
604	B	147	LEU	0	0.033	0.028	38.467	-0.407	-0.407	0.000	0.000	0.000	0.000
605	B	148	TRP	0	-0.019	-0.010	42.739	-0.556	-0.556	0.000	0.000	0.000	0.000
606	B	149	ARG	1	0.848	0.914	43.592	-27.469	-27.469	0.000	0.000	0.000	0.000
607	B	150	VAL	0	-0.009	0.014	44.385	-0.627	-0.627	0.000	0.000	0.000	0.000
608	B	151	LEU	0	-0.050	-0.026	44.821	-0.424	-0.424	0.000	0.000	0.000	0.000
609	B	152	GLY	0	-0.001	0.018	48.498	-0.474	-0.474	0.000	0.000	0.000	0.000
610	B	153	ARG	1	0.778	0.893	47.054	-25.680	-25.680	0.000	0.000	0.000	0.000
611	B	154	PRO	0	0.010	-0.003	49.755	0.109	0.109	0.000	0.000	0.000	0.000
612	B	155	VAL	0	0.009	-0.001	46.109	0.453	0.453	0.000	0.000	0.000	0.000
613	B	156	ILE	0	-0.017	-0.015	45.396	0.662	0.662	0.000	0.000	0.000	0.000
614	B	157	ASN	0	-0.006	-0.005	45.533	0.005	0.005	0.000	0.000	0.000	0.000
615	B	158	GLY	0	0.048	0.026	45.980	-0.521	-0.521	0.000	0.000	0.000	0.000
616	B	159	GLY	0	-0.020	-0.002	46.056	-0.422	-0.422	0.000	0.000	0.000	0.000
617	B	160	PHE	0	0.047	0.017	41.829	0.489	0.489	0.000	0.000	0.000	0.000
618	B	161	ILE	0	-0.033	-0.008	41.265	-0.604	-0.604	0.000	0.000	0.000	0.000
619	B	162	VAL	0	-0.014	-0.001	42.372	0.561	0.561	0.000	0.000	0.000	0.000
620	B	163	GLY	0	0.067	0.018	40.642	-0.193	-0.193	0.000	0.000	0.000	0.000
621	B	164	THR	0	-0.049	-0.036	40.116	-0.028	-0.028	0.000	0.000	0.000	0.000
622	B	165	ILE	0	0.004	0.008	34.671	0.343	0.343	0.000	0.000	0.000	0.000
623	B	166	ILE	0	0.006	0.001	37.845	-0.612	-0.612	0.000	0.000	0.000	0.000
624	B	167	LYS	1	0.860	0.919	34.490	-32.033	-32.033	0.000	0.000	0.000	0.000
625	B	168	PRO	0	0.003	0.004	38.603	-0.787	-0.787	0.000	0.000	0.000	0.000
626	B	169	LYS	1	0.799	0.897	30.466	-36.097	-36.097	0.000	0.000	0.000	0.000
627	B	170	LEU	0	-0.027	-0.019	30.893	0.363	0.363	0.000	0.000	0.000	0.000
628	B	171	GLY	0	0.052	0.018	35.437	-0.300	-0.300	0.000	0.000	0.000	0.000
629	B	172	LEU	0	-0.029	0.009	38.551	-0.718	-0.718	0.000	0.000	0.000	0.000
630	B	173	ARG	1	0.942	0.978	40.038	-25.780	-25.780	0.000	0.000	0.000	0.000
631	B	174	PRO	0	0.046	0.016	41.527	-0.278	-0.278	0.000	0.000	0.000	0.000
632	B	175	GLN	0	0.016	0.004	43.114	0.031	0.031	0.000	0.000	0.000	0.000
633	B	176	PRO	0	-0.019	-0.021	44.710	-0.242	-0.242	0.000	0.000	0.000	0.000
634	B	177	PHE	0	0.042	0.033	37.810	-0.169	-0.169	0.000	0.000	0.000	0.000
635	B	178	ALA	0	0.027	0.008	43.176	0.011	0.011	0.000	0.000	0.000	0.000
636	B	179	ASN	0	-0.035	-0.027	45.360	-0.371	-0.371	0.000	0.000	0.000	0.000
637	B	180	ALA	0	0.068	0.048	44.023	-0.328	-0.328	0.000	0.000	0.000	0.000
638	B	181	CYS	0	-0.052	-0.014	42.887	0.164	0.164	0.000	0.000	0.000	0.000
639	B	182	TYR	0	-0.034	-0.019	45.138	-0.323	-0.323	0.000	0.000	0.000	0.000
640	B	183	ASP	-1	-0.887	-0.948	48.501	23.357	23.357	0.000	0.000	0.000	0.000
641	B	184	PHE	0	-0.029	-0.009	44.132	-0.324	-0.324	0.000	0.000	0.000	0.000
642	B	185	TRP	0	0.042	0.011	43.192	-0.353	-0.353	0.000	0.000	0.000	0.000
643	B	186	LEU	0	-0.050	-0.011	48.310	-0.406	-0.406	0.000	0.000	0.000	0.000
644	B	187	GLY	0	-0.072	-0.038	50.154	-0.464	-0.464	0.000	0.000	0.000	0.000
645	B	188	GLY	0	-0.018	-0.003	46.707	0.029	0.029	0.000	0.000	0.000	0.000
646	B	189	ASP	-1	-0.775	-0.864	44.773	25.127	25.127	0.000	0.000	0.000	0.000
647	B	190	PHE	0	-0.006	-0.010	36.401	0.011	0.011	0.000	0.000	0.000	0.000
648	B	191	ILE	0	-0.009	0.012	39.540	-0.112	-0.112	0.000	0.000	0.000	0.000
649	B	192	KCX	-1	-0.500	-0.823	31.936	35.892	35.892	0.000	0.000	0.000	0.000
650	B	193	ASN	0	0.053	0.008	33.466	-0.362	-0.362	0.000	0.000	0.000	0.000
651	B	194	ASP	0	0.172	0.038	33.231	0.462	0.462	0.000	0.000	0.000	0.000
652	B	195	GLU	0	0.138	-0.040	27.633	-0.282	-0.282	0.000	0.000	0.000	0.000
653	B	501	merge:B:AS	-1	-2.149	-1.427	27.164	36.128	36.128	0.000	0.000	0.000	0.000
654	B	196	PRO	0	-0.039	0.013	28.107	0.553	0.553	0.000	0.000	0.000	0.000
655	B	197	GLN	0	-0.077	-0.024	29.206	-0.307	-0.307	0.000	0.000	0.000	0.000
656	B	198	GLY	0	0.039	0.010	31.577	0.549	0.549	0.000	0.000	0.000	0.000
657	B	199	ASN	0	-0.055	-0.017	31.913	-2.231	-2.231	0.000	0.000	0.000	0.000
658	B	200	GLN	0	0.037	0.027	30.687	-0.550	-0.550	0.000	0.000	0.000	0.000
659	B	201	VAL	0	-0.009	-0.010	34.025	-0.775	-0.775	0.000	0.000	0.000	0.000
660	B	202	PHE	0	-0.022	-0.010	35.070	-0.911	-0.911	0.000	0.000	0.000	0.000
661	B	203	ALA	0	-0.030	-0.038	37.295	-0.926	-0.926	0.000	0.000	0.000	0.000
662	B	204	PRO	0	0.027	0.038	37.211	0.597	0.597	0.000	0.000	0.000	0.000
663	B	205	PHE	0	0.086	0.030	34.583	-0.711	-0.711	0.000	0.000	0.000	0.000
664	B	206	LYS	1	0.893	0.954	36.987	-30.406	-30.406	0.000	0.000	0.000	0.000
665	B	207	ASP	-1	-0.900	-0.955	39.954	26.632	26.632	0.000	0.000	0.000	0.000
666	B	208	THR	0	-0.016	-0.014	38.918	-0.809	-0.809	0.000	0.000	0.000	0.000
667	B	209	VAL	0	0.008	0.012	38.156	-0.464	-0.464	0.000	0.000	0.000	0.000
668	B	210	ARG	1	0.939	0.970	40.975	-27.262	-27.262	0.000	0.000	0.000	0.000
669	B	211	ALA	0	0.010	0.015	44.300	-0.574	-0.574	0.000	0.000	0.000	0.000
670	B	212	VAL	0	0.009	-0.005	40.987	-0.529	-0.529	0.000	0.000	0.000	0.000
671	B	213	ALA	0	0.012	0.009	44.245	-0.344	-0.344	0.000	0.000	0.000	0.000
672	B	214	ASP	-1	-0.917	-0.955	45.809	22.865	22.865	0.000	0.000	0.000	0.000
673	B	215	ALA	0	-0.014	-0.011	46.639	-0.513	-0.513	0.000	0.000	0.000	0.000
674	B	216	MET	0	-0.010	0.010	43.502	-0.341	-0.341	0.000	0.000	0.000	0.000
675	B	217	ARG	1	0.931	0.974	48.018	-24.656	-24.656	0.000	0.000	0.000	0.000
676	B	218	ARG	1	0.945	0.977	50.126	-23.582	-23.582	0.000	0.000	0.000	0.000
677	B	219	ALA	0	0.010	-0.001	49.903	-0.415	-0.415	0.000	0.000	0.000	0.000
678	B	220	GLN	0	-0.017	0.000	48.689	0.156	0.156	0.000	0.000	0.000	0.000
679	B	221	ASP	-1	-0.905	-0.941	52.665	21.558	21.558	0.000	0.000	0.000	0.000
680	B	222	LYS	1	0.829	0.924	55.159	-20.888	-20.888	0.000	0.000	0.000	0.000
681	B	223	THR	0	-0.062	-0.063	53.014	-0.260	-0.260	0.000	0.000	0.000	0.000
682	B	224	GLY	0	-0.001	0.017	55.761	-0.215	-0.215	0.000	0.000	0.000	0.000
683	B	225	GLU	-1	-0.949	-0.966	51.815	22.915	22.915	0.000	0.000	0.000	0.000
684	B	226	ALA	0	-0.004	-0.006	48.492	0.146	0.146	0.000	0.000	0.000	0.000
685	B	227	LYS	1	0.781	0.883	46.523	-23.995	-23.995	0.000	0.000	0.000	0.000
686	B	228	LEU	0	-0.006	-0.014	41.543	0.210	0.210	0.000	0.000	0.000	0.000
687	B	229	PHE	0	-0.006	-0.020	37.222	-0.244	-0.244	0.000	0.000	0.000	0.000
688	B	230	SER	0	-0.036	-0.007	34.131	0.358	0.358	0.000	0.000	0.000	0.000
689	B	231	PHE	0	0.044	0.007	34.949	0.036	0.036	0.000	0.000	0.000	0.000
690	B	232	ASN	0	0.047	0.045	28.444	1.542	1.542	0.000	0.000	0.000	0.000
691	B	233	ILE	0	-0.064	-0.032	29.099	-0.634	-0.634	0.000	0.000	0.000	0.000
692	B	234	THR	0	0.021	-0.002	23.955	1.184	1.184	0.000	0.000	0.000	0.000
693	B	235	ALA	0	-0.010	-0.021	24.860	-0.872	-0.872	0.000	0.000	0.000	0.000
694	B	236	ASP	-1	-0.776	-0.878	20.414	52.934	52.934	0.000	0.000	0.000	0.000
695	B	237	ASP	-1	-0.796	-0.897	21.633	44.855	44.855	0.000	0.000	0.000	0.000
696	B	238	HIS	1	0.912	0.944	23.893	-44.583	-44.583	0.000	0.000	0.000	0.000
697	B	239	TYR	0	0.034	-0.006	25.438	-1.748	-1.748	0.000	0.000	0.000	0.000
698	B	240	GLU	-1	-0.730	-0.832	27.377	35.329	35.329	0.000	0.000	0.000	0.000
699	B	241	MET	0	-0.045	-0.014	25.477	-0.523	-0.523	0.000	0.000	0.000	0.000
700	B	242	LEU	0	-0.034	-0.011	28.996	-0.921	-0.921	0.000	0.000	0.000	0.000
701	B	243	ALA	0	0.041	0.028	31.610	-1.209	-1.209	0.000	0.000	0.000	0.000
702	B	244	ARG	1	0.737	0.851	29.979	-38.491	-38.491	0.000	0.000	0.000	0.000
703	B	245	GLY	0	0.040	0.013	33.117	-0.945	-0.945	0.000	0.000	0.000	0.000
704	B	246	GLU	-1	-0.906	-0.970	34.696	32.406	32.406	0.000	0.000	0.000	0.000
705	B	247	PHE	0	-0.001	-0.003	37.078	-1.081	-1.081	0.000	0.000	0.000	0.000
706	B	248	ILE	0	-0.009	0.006	35.475	-0.922	-0.922	0.000	0.000	0.000	0.000
707	B	249	LEU	0	-0.003	-0.001	37.682	-0.786	-0.786	0.000	0.000	0.000	0.000
708	B	250	GLU	-1	-0.964	-0.971	40.873	26.610	26.610	0.000	0.000	0.000	0.000
709	B	251	THR	0	-0.096	-0.060	42.190	-0.841	-0.841	0.000	0.000	0.000	0.000
710	B	252	PHE	0	-0.041	-0.045	41.584	-0.633	-0.633	0.000	0.000	0.000	0.000
711	B	253	ALA	0	0.009	0.026	44.969	-0.594	-0.594	0.000	0.000	0.000	0.000
712	B	254	ASP	-1	-0.932	-0.963	46.515	24.238	24.238	0.000	0.000	0.000	0.000
713	B	255	ASN	0	-0.001	-0.007	46.293	-0.149	-0.149	0.000	0.000	0.000	0.000
714	B	256	ALA	0	0.024	0.013	42.542	0.568	0.568	0.000	0.000	0.000	0.000
715	B	257	ASP	-1	-0.875	-0.939	41.783	26.995	26.995	0.000	0.000	0.000	0.000
716	B	258	HIS	1	0.796	0.892	42.955	-25.630	-25.630	0.000	0.000	0.000	0.000
717	B	259	ILE	0	-0.011	-0.001	37.546	0.206	0.206	0.000	0.000	0.000	0.000
718	B	260	ALA	0	-0.034	-0.011	35.422	0.244	0.244	0.000	0.000	0.000	0.000
719	B	261	PHE	0	-0.012	-0.012	31.777	-0.230	-0.230	0.000	0.000	0.000	0.000
720	B	262	LEU	0	-0.009	-0.003	28.757	0.526	0.526	0.000	0.000	0.000	0.000
721	B	263	VAL	0	-0.006	-0.017	24.311	0.218	0.218	0.000	0.000	0.000	0.000
722	B	264	ASP	-1	-0.794	-0.917	23.638	42.406	42.406	0.000	0.000	0.000	0.000
723	B	265	GLY	0	-0.024	-0.025	22.189	1.839	1.839	0.000	0.000	0.000	0.000
724	B	266	TYR	0	-0.061	-0.015	15.790	2.219	2.219	0.000	0.000	0.000	0.000
725	B	267	VAL	0	-0.010	-0.007	17.564	3.008	3.008	0.000	0.000	0.000	0.000
726	B	268	ALA	0	0.015	0.003	17.594	2.191	2.191	0.000	0.000	0.000	0.000
727	B	269	GLY	0	0.024	0.015	17.239	1.898	1.898	0.000	0.000	0.000	0.000
728	B	270	PRO	0	0.029	0.003	16.516	-3.089	-3.089	0.000	0.000	0.000	0.000
729	B	271	ALA	0	0.018	0.025	18.135	-2.491	-2.491	0.000	0.000	0.000	0.000
730	B	272	ALA	0	0.021	0.007	19.956	-2.402	-2.402	0.000	0.000	0.000	0.000
731	B	273	VAL	0	-0.009	0.000	22.285	-2.332	-2.332	0.000	0.000	0.000	0.000
732	B	274	THR	0	0.035	0.013	21.837	-2.374	-2.374	0.000	0.000	0.000	0.000
733	B	275	THR	0	-0.032	-0.007	23.677	-1.635	-1.635	0.000	0.000	0.000	0.000
734	B	276	ALA	0	0.020	0.013	25.887	-1.496	-1.496	0.000	0.000	0.000	0.000
735	B	277	ARG	1	0.814	0.919	27.098	-39.745	-39.745	0.000	0.000	0.000	0.000
736	B	278	ARG	1	0.735	0.828	25.235	-44.891	-44.891	0.000	0.000	0.000	0.000
737	B	279	ALA	0	-0.027	0.005	29.245	-0.968	-0.968	0.000	0.000	0.000	0.000
738	B	280	PHE	0	-0.006	-0.008	31.253	-1.311	-1.311	0.000	0.000	0.000	0.000
739	B	281	PRO	0	0.036	0.038	32.982	-0.269	-0.269	0.000	0.000	0.000	0.000
740	B	282	LYS	1	0.922	0.962	34.096	-29.182	-29.182	0.000	0.000	0.000	0.000
741	B	283	GLN	0	-0.033	-0.018	35.416	-1.223	-1.223	0.000	0.000	0.000	0.000
742	B	284	TYR	0	-0.009	-0.015	34.465	1.057	1.057	0.000	0.000	0.000	0.000
743	B	285	LEU	0	0.018	0.016	27.765	-0.002	-0.002	0.000	0.000	0.000	0.000
744	B	286	HIS	0	-0.013	-0.039	30.477	-0.467	-0.467	0.000	0.000	0.000	0.000
745	B	287	TYR	0	0.043	0.010	21.189	0.668	0.668	0.000	0.000	0.000	0.000
746	B	288	HIS	0	0.555	0.410	26.995	0.598	0.598	0.000	0.000	0.000	0.000
747	B	289	ARG	1	0.804	0.884	23.555	-40.130	-40.130	0.000	0.000	0.000	0.000
748	B	290	ALA	0	0.056	0.029	23.057	1.358	1.358	0.000	0.000	0.000	0.000
749	B	291	GLY	0	0.048	0.020	20.275	1.537	1.537	0.000	0.000	0.000	0.000
750	B	292	HIS	0	0.009	0.020	19.523	3.502	3.502	0.000	0.000	0.000	0.000
751	B	293	GLY	0	0.025	0.020	20.007	1.598	1.598	0.000	0.000	0.000	0.000
752	B	294	ALA	0	0.008	0.005	17.000	0.053	0.053	0.000	0.000	0.000	0.000
753	B	295	VAL	0	-0.047	-0.026	14.734	2.113	2.113	0.000	0.000	0.000	0.000
754	B	296	THR	0	-0.034	-0.034	17.829	-0.920	-0.920	0.000	0.000	0.000	0.000
755	B	297	SER	0	-0.015	-0.004	21.186	-1.315	-1.315	0.000	0.000	0.000	0.000
756	B	298	PRO	0	0.028	-0.004	22.293	2.204	2.204	0.000	0.000	0.000	0.000
757	B	299	GLN	0	0.005	0.009	21.862	1.690	1.690	0.000	0.000	0.000	0.000
758	B	300	SER	0	-0.033	-0.002	17.782	1.997	1.997	0.000	0.000	0.000	0.000
759	B	301	LYS	1	0.926	0.963	18.417	-52.056	-52.056	0.000	0.000	0.000	0.000
760	B	302	ARG	1	0.827	0.905	10.402	-83.783	-83.783	0.000	0.000	0.000	0.000
761	B	303	GLY	0	0.045	0.020	14.155	-3.251	-3.251	0.000	0.000	0.000	0.000
762	B	304	TYR	0	0.022	0.007	15.076	-1.339	-1.339	0.000	0.000	0.000	0.000
763	B	305	THR	0	0.040	0.022	18.160	-0.993	-0.993	0.000	0.000	0.000	0.000
764	B	306	ALA	0	0.082	0.026	21.817	0.806	0.806	0.000	0.000	0.000	0.000
765	B	307	PHE	0	0.023	0.019	24.241	-0.570	-0.570	0.000	0.000	0.000	0.000
766	B	308	VAL	0	0.019	0.011	18.950	-0.655	-0.655	0.000	0.000	0.000	0.000
767	B	309	LEU	0	-0.009	-0.007	19.970	0.187	0.187	0.000	0.000	0.000	0.000
768	B	310	SER	0	0.013	-0.012	21.951	-0.741	-0.741	0.000	0.000	0.000	0.000
769	B	311	LYS	1	0.833	0.910	24.031	-45.453	-45.453	0.000	0.000	0.000	0.000
770	B	312	MET	0	-0.021	-0.012	17.824	0.302	0.302	0.000	0.000	0.000	0.000
771	B	313	ALA	0	-0.021	0.001	22.550	-0.196	-0.196	0.000	0.000	0.000	0.000
772	B	314	ARG	1	0.817	0.925	24.729	-37.412	-37.412	0.000	0.000	0.000	0.000
773	B	315	LEU	0	-0.023	-0.023	22.660	-0.899	-0.899	0.000	0.000	0.000	0.000
774	B	316	GLN	0	0.004	-0.018	21.170	0.224	0.224	0.000	0.000	0.000	0.000
775	B	317	GLY	0	0.015	0.022	24.488	-0.393	-0.393	0.000	0.000	0.000	0.000
776	B	318	ALA	0	-0.005	-0.001	27.313	-1.073	-1.073	0.000	0.000	0.000	0.000
777	B	319	SER	0	0.014	0.014	29.028	-0.415	-0.415	0.000	0.000	0.000	0.000
778	B	320	GLY	0	-0.004	0.000	31.700	-1.099	-1.099	0.000	0.000	0.000	0.000
779	B	321	ILE	0	-0.002	0.003	25.227	1.087	1.087	0.000	0.000	0.000	0.000
780	B	322	HIS	0	0.033	0.065	28.523	-1.209	-1.209	0.000	0.000	0.000	0.000
781	B	323	THR	0	0.002	-0.006	28.411	1.102	1.102	0.000	0.000	0.000	0.000
782	B	324	GLY	0	0.024	0.015	30.373	0.359	0.359	0.000	0.000	0.000	0.000
783	B	325	THR	0	-0.016	-0.015	31.381	-0.809	-0.809	0.000	0.000	0.000	0.000
784	B	326	MET	0	-0.033	-0.007	33.187	-1.277	-1.277	0.000	0.000	0.000	0.000
785	B	327	GLY	0	0.048	0.035	34.023	-0.644	-0.644	0.000	0.000	0.000	0.000
786	B	328	PHE	0	-0.046	-0.021	35.431	-0.736	-0.736	0.000	0.000	0.000	0.000
787	B	329	GLY	0	0.016	0.013	36.132	-0.958	-0.958	0.000	0.000	0.000	0.000
788	B	330	LYS	1	0.721	0.849	32.638	-33.909	-33.909	0.000	0.000	0.000	0.000
789	B	331	MET	0	-0.039	-0.011	29.348	0.538	0.538	0.000	0.000	0.000	0.000
790	B	332	GLU	-1	-0.831	-0.891	26.314	42.068	42.068	0.000	0.000	0.000	0.000
791	B	333	GLY	0	-0.026	-0.013	29.376	0.744	0.744	0.000	0.000	0.000	0.000
792	B	334	GLU	-1	-0.931	-0.965	31.025	35.378	35.378	0.000	0.000	0.000	0.000
793	B	335	ALA	0	0.040	0.022	33.328	0.009	0.009	0.000	0.000	0.000	0.000
794	B	336	ALA	0	-0.014	-0.019	33.033	-0.413	-0.413	0.000	0.000	0.000	0.000
795	B	337	ASP	-1	-0.818	-0.917	30.542	39.153	39.153	0.000	0.000	0.000	0.000
796	B	338	ARG	1	0.893	0.936	32.373	-31.380	-31.380	0.000	0.000	0.000	0.000
797	B	339	ALA	0	-0.014	-0.008	31.993	-0.243	-0.243	0.000	0.000	0.000	0.000
798	B	340	ILE	0	-0.023	-0.010	27.995	0.639	0.639	0.000	0.000	0.000	0.000
799	B	341	ALA	0	-0.014	-0.006	30.733	0.244	0.244	0.000	0.000	0.000	0.000
800	B	342	TYR	0	0.004	-0.033	33.598	-0.067	-0.067	0.000	0.000	0.000	0.000
801	B	343	MET	0	-0.023	0.019	28.458	-0.091	-0.091	0.000	0.000	0.000	0.000
802	B	344	ILE	0	-0.043	-0.024	28.898	0.579	0.579	0.000	0.000	0.000	0.000
803	B	345	THR	0	-0.024	-0.017	31.531	-0.051	-0.051	0.000	0.000	0.000	0.000
804	B	346	GLU	-1	-0.890	-0.930	35.140	30.023	30.023	0.000	0.000	0.000	0.000
805	B	347	ASP	-1	-0.877	-0.938	34.729	33.693	33.693	0.000	0.000	0.000	0.000
806	B	348	ALA	0	0.007	-0.002	34.677	0.749	0.749	0.000	0.000	0.000	0.000
807	B	349	ALA	0	-0.015	-0.004	32.771	-0.681	-0.681	0.000	0.000	0.000	0.000
808	B	350	ASP	-1	-0.876	-0.935	32.330	35.378	35.378	0.000	0.000	0.000	0.000
809	B	351	GLY	0	0.002	-0.007	28.487	-0.099	-0.099	0.000	0.000	0.000	0.000
810	B	352	PRO	0	-0.091	-0.046	26.425	-0.857	-0.857	0.000	0.000	0.000	0.000
811	B	353	TYR	0	-0.034	-0.022	25.097	-0.186	-0.186	0.000	0.000	0.000	0.000
812	B	354	PHE	0	-0.029	0.001	23.041	-0.421	-0.421	0.000	0.000	0.000	0.000
813	B	355	HIS	1	0.847	0.932	28.522	-35.166	-35.166	0.000	0.000	0.000	0.000
814	B	356	GLN	0	-0.017	-0.013	27.107	2.519	2.519	0.000	0.000	0.000	0.000
815	B	357	GLU	-1	-0.828	-0.908	30.697	32.382	32.382	0.000	0.000	0.000	0.000
816	B	358	TRP	0	0.018	-0.027	27.022	1.923	1.923	0.000	0.000	0.000	0.000
817	B	359	LEU	0	-0.057	-0.028	31.727	0.272	0.272	0.000	0.000	0.000	0.000
818	B	360	GLY	0	0.013	0.011	34.861	-0.205	-0.205	0.000	0.000	0.000	0.000
819	B	361	MET	0	-0.061	-0.004	28.185	0.063	0.063	0.000	0.000	0.000	0.000
820	B	362	ASN	0	-0.028	-0.018	33.591	-1.059	-1.059	0.000	0.000	0.000	0.000
821	B	363	PRO	0	-0.007	0.007	33.010	1.061	1.061	0.000	0.000	0.000	0.000
822	B	364	THR	0	-0.019	-0.016	29.740	0.265	0.265	0.000	0.000	0.000	0.000
823	B	365	THR	0	-0.051	-0.041	32.709	-0.664	-0.664	0.000	0.000	0.000	0.000
824	B	366	PRO	0	0.041	0.015	33.279	0.885	0.885	0.000	0.000	0.000	0.000
825	B	367	ILE	0	-0.038	-0.003	32.219	-1.158	-1.158	0.000	0.000	0.000	0.000
826	B	368	ILE	0	-0.017	-0.012	33.177	0.875	0.875	0.000	0.000	0.000	0.000
827	B	369	SER	0	0.031	-0.002	33.094	-0.961	-0.961	0.000	0.000	0.000	0.000
828	B	370	GLY	0	0.108	0.056	33.273	0.856	0.856	0.000	0.000	0.000	0.000
829	B	371	GLY	0	-0.023	-0.016	34.298	-0.123	-0.123	0.000	0.000	0.000	0.000
830	B	372	MET	0	-0.030	-0.004	37.275	-0.516	-0.516	0.000	0.000	0.000	0.000
831	B	373	ASN	0	0.039	-0.008	39.663	-0.493	-0.493	0.000	0.000	0.000	0.000
832	B	374	ALA	0	0.034	0.007	43.359	0.096	0.096	0.000	0.000	0.000	0.000
833	B	375	LEU	0	0.001	-0.001	46.293	-0.146	-0.146	0.000	0.000	0.000	0.000
834	B	376	ARG	1	0.836	0.901	39.609	-29.242	-29.242	0.000	0.000	0.000	0.000
835	B	377	MET	0	-0.047	0.001	42.962	0.366	0.366	0.000	0.000	0.000	0.000
836	B	378	PRO	0	0.011	0.008	44.185	0.256	0.256	0.000	0.000	0.000	0.000
837	B	379	GLY	0	0.041	0.028	44.435	0.035	0.035	0.000	0.000	0.000	0.000
838	B	380	PHE	0	-0.005	-0.002	36.566	0.340	0.340	0.000	0.000	0.000	0.000
839	B	381	PHE	0	0.010	-0.019	41.353	0.507	0.507	0.000	0.000	0.000	0.000
840	B	382	ASP	-1	-0.885	-0.920	43.562	25.718	25.718	0.000	0.000	0.000	0.000
841	B	383	ASN	0	-0.054	-0.014	37.664	-0.100	-0.100	0.000	0.000	0.000	0.000
842	B	384	LEU	0	-0.045	-0.010	37.434	0.516	0.516	0.000	0.000	0.000	0.000
843	B	385	GLY	0	0.043	0.035	40.425	0.230	0.230	0.000	0.000	0.000	0.000
844	B	386	HIS	0	-0.031	-0.024	38.803	-1.122	-1.122	0.000	0.000	0.000	0.000
845	B	387	SER	0	0.019	-0.015	42.662	0.474	0.474	0.000	0.000	0.000	0.000
846	B	388	ASN	0	-0.048	-0.027	42.189	-0.622	-0.622	0.000	0.000	0.000	0.000
847	B	389	LEU	0	-0.019	-0.010	38.378	0.679	0.679	0.000	0.000	0.000	0.000
848	B	390	ILE	0	0.016	0.016	36.794	-0.771	-0.771	0.000	0.000	0.000	0.000
849	B	391	MET	0	-0.004	0.011	37.650	0.545	0.545	0.000	0.000	0.000	0.000
850	B	392	THR	0	-0.053	-0.019	36.114	-0.433	-0.433	0.000	0.000	0.000	0.000
851	B	393	ALA	0	0.028	0.008	37.735	0.527	0.527	0.000	0.000	0.000	0.000
852	B	394	GLY	0	0.019	0.016	38.381	-0.668	-0.668	0.000	0.000	0.000	0.000
853	B	395	GLY	0	0.018	-0.014	39.001	-0.813	-0.813	0.000	0.000	0.000	0.000
854	B	396	GLY	0	-0.038	-0.017	40.910	-0.707	-0.707	0.000	0.000	0.000	0.000
855	B	397	ALA	0	-0.031	-0.009	42.789	-0.727	-0.727	0.000	0.000	0.000	0.000
856	B	398	PHE	0	0.023	-0.016	41.729	-0.793	-0.793	0.000	0.000	0.000	0.000
857	B	399	GLY	0	0.023	0.013	44.468	-0.272	-0.272	0.000	0.000	0.000	0.000
858	B	400	HIS	0	-0.072	-0.024	45.518	-0.375	-0.375	0.000	0.000	0.000	0.000
859	B	401	VAL	0	-0.008	-0.013	48.621	-0.139	-0.139	0.000	0.000	0.000	0.000
860	B	402	ASP	-1	-0.851	-0.919	51.694	21.411	21.411	0.000	0.000	0.000	0.000
861	B	403	GLY	0	0.000	0.005	49.930	-0.222	-0.222	0.000	0.000	0.000	0.000
862	B	404	GLY	0	0.060	0.019	47.361	0.138	0.138	0.000	0.000	0.000	0.000
863	B	405	ALA	0	0.008	0.010	48.135	0.192	0.192	0.000	0.000	0.000	0.000
864	B	406	ALA	0	-0.002	-0.008	50.751	-0.046	-0.046	0.000	0.000	0.000	0.000
865	B	407	GLY	0	0.069	0.031	47.656	0.031	0.031	0.000	0.000	0.000	0.000
866	B	408	ALA	0	0.008	0.027	46.857	0.223	0.223	0.000	0.000	0.000	0.000
867	B	409	LYS	1	0.949	0.971	47.883	-21.888	-21.888	0.000	0.000	0.000	0.000
868	B	410	SER	0	-0.059	-0.033	48.462	-0.024	-0.024	0.000	0.000	0.000	0.000
869	B	411	LEU	0	0.043	0.005	43.455	0.038	0.038	0.000	0.000	0.000	0.000
870	B	412	ARG	1	0.800	0.867	47.165	-24.482	-24.482	0.000	0.000	0.000	0.000
871	B	413	GLN	0	-0.038	-0.040	49.318	-0.072	-0.072	0.000	0.000	0.000	0.000
872	B	414	ALA	0	0.037	0.024	47.592	-0.227	-0.227	0.000	0.000	0.000	0.000
873	B	415	GLU	-1	-0.860	-0.904	46.235	25.067	25.067	0.000	0.000	0.000	0.000
874	B	416	GLN	0	-0.022	-0.017	48.477	-0.410	-0.410	0.000	0.000	0.000	0.000
875	B	417	CYS	0	-0.011	0.002	51.608	-0.370	-0.370	0.000	0.000	0.000	0.000
876	B	418	TRP	0	-0.035	-0.010	46.552	-0.200	-0.200	0.000	0.000	0.000	0.000
877	B	419	LYS	1	0.941	0.972	50.394	-23.924	-23.924	0.000	0.000	0.000	0.000
878	B	420	GLN	0	-0.086	-0.052	51.613	-0.459	-0.459	0.000	0.000	0.000	0.000
879	B	421	GLY	0	-0.003	0.020	53.333	-0.363	-0.363	0.000	0.000	0.000	0.000
880	B	422	ALA	0	-0.039	-0.014	54.329	-0.339	-0.339	0.000	0.000	0.000	0.000
881	B	423	ASP	-1	-0.828	-0.927	54.190	22.308	22.308	0.000	0.000	0.000	0.000
882	B	424	PRO	0	0.049	0.017	51.211	-0.286	-0.286	0.000	0.000	0.000	0.000
883	B	425	VAL	0	-0.011	-0.013	53.723	-0.168	-0.168	0.000	0.000	0.000	0.000
884	B	426	GLU	-1	-0.874	-0.937	56.160	19.585	19.585	0.000	0.000	0.000	0.000
885	B	427	PHE	0	0.019	0.008	54.325	-0.295	-0.295	0.000	0.000	0.000	0.000
886	B	428	ALA	0	-0.041	-0.022	55.326	-0.143	-0.143	0.000	0.000	0.000	0.000
887	B	429	LYS	1	0.797	0.906	57.009	-19.802	-19.802	0.000	0.000	0.000	0.000
888	B	430	ASP	-1	-0.921	-0.944	60.158	19.326	19.326	0.000	0.000	0.000	0.000
889	B	431	HIS	1	0.789	0.895	56.195	-21.180	-21.180	0.000	0.000	0.000	0.000
890	B	432	ARG	1	1.046	1.027	56.749	-20.205	-20.205	0.000	0.000	0.000	0.000
891	B	433	GLU	-1	-0.855	-0.927	52.941	21.652	21.652	0.000	0.000	0.000	0.000
892	B	434	PHE	0	0.013	0.001	49.574	0.358	0.358	0.000	0.000	0.000	0.000
893	B	435	ALA	0	0.018	0.010	52.714	0.279	0.279	0.000	0.000	0.000	0.000
894	B	436	ARG	1	0.751	0.863	54.272	-21.396	-21.396	0.000	0.000	0.000	0.000
895	B	437	ALA	0	0.033	0.031	48.940	0.238	0.238	0.000	0.000	0.000	0.000
896	B	438	PHE	0	-0.019	-0.017	49.840	0.415	0.415	0.000	0.000	0.000	0.000
897	B	439	GLU	-1	-0.957	-0.997	51.667	21.311	21.311	0.000	0.000	0.000	0.000
898	B	440	SER	0	-0.045	0.000	48.702	0.046	0.046	0.000	0.000	0.000	0.000
899	B	441	PHE	0	-0.011	0.003	44.605	0.392	0.392	0.000	0.000	0.000	0.000
900	B	442	PRO	0	0.042	0.026	47.800	0.110	0.110	0.000	0.000	0.000	0.000
901	B	443	GLN	0	0.021	0.002	44.883	-0.415	-0.415	0.000	0.000	0.000	0.000
902	B	444	ASP	-1	-0.792	-0.888	43.551	27.730	27.730	0.000	0.000	0.000	0.000
903	B	445	ALA	0	-0.008	-0.004	46.330	-0.026	-0.026	0.000	0.000	0.000	0.000
904	B	446	ASP	-1	-0.901	-0.936	49.875	22.989	22.989	0.000	0.000	0.000	0.000
905	B	447	LYS	1	0.901	0.950	42.869	-27.360	-27.360	0.000	0.000	0.000	0.000
906	B	448	LEU	0	-0.039	-0.020	44.838	0.026	0.026	0.000	0.000	0.000	0.000
907	B	449	TYR	0	-0.058	-0.040	48.410	-0.386	-0.386	0.000	0.000	0.000	0.000
908	B	450	PRO	0	0.034	0.025	51.823	-0.418	-0.418	0.000	0.000	0.000	0.000
909	B	451	ASN	0	-0.048	-0.037	53.991	-0.029	-0.029	0.000	0.000	0.000	0.000
910	B	452	TRP	0	-0.002	-0.026	53.239	-0.656	-0.656	0.000	0.000	0.000	0.000
911	B	453	ARG	1	0.933	0.981	54.490	-22.033	-22.033	0.000	0.000	0.000	0.000
912	B	454	ALA	0	-0.027	-0.003	58.856	-0.271	-0.271	0.000	0.000	0.000	0.000
913	B	455	LYS	1	0.980	1.005	57.758	-21.321	-21.321	0.000	0.000	0.000	0.000
915	B	500	CAP	-4	-3.157	-3.547	28.131	140.956	140.956	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #914(A:500:CAP)