FMO DATABASE

FMODB ID: 7G64K

Calculation Name: 5MAC-CD-Xray434

Preferred Name:

Target Type:

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

ligand 3-letter code: CAP

PDB ID: 5MAC

Chain ID: CD

ChEMBL ID:

UniProt ID: Q12TQ0

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	949
LigandCharge
Software	ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-29933532.061353
FMO2-HF: Nuclear repulsion	29554356.118186
FMO2-HF: Total energy	-379175.943167
FMO2-MP2: Total energy	-380260.553087

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.
191.362	220.960	127.702	-74.295	-82.995	-0.688

Interactive mode: IFIE and PIEDA for fragment #948(C:501:CAP)

Summations of interaction energy for fragment #948(C:501: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.
191.362	220.96	127.702	-74.295	-82.995	0.688

Interaction energy analysis for fragmet #948(C:501:CAP)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : -4 / q_Mulliken : -3.180 / q_NPA : -3.624

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	C	165	ILE	0	0.029	0.021	1.930	-11.372	-8.625	3.682	-2.467	-3.962	0.015
166	C	166	VAL	0	0.007	0.018	5.133	3.466	3.563	-0.001	-0.003	-0.093	0.000
167	C	167	LYS	1	0.874	0.935	2.242	-249.551	-244.490	5.008	-4.440	-5.630	0.060
169	C	169	LYS	1	0.853	0.964	4.329	-164.031	-163.388	-0.001	-0.288	-0.354	0.001
193	C	193	KCX	-1	-0.581	-0.851	2.313	191.790	194.071	9.465	-4.694	-7.052	-0.056
195	C	195	ASP	0	0.188	0.030	4.452	6.095	6.256	-0.001	-0.035	-0.124	0.000
196	C	196	GLU	0	0.108	-0.068	3.783	-16.601	-16.245	-0.001	-0.077	-0.278	0.000
289	C	288	HIS	0	0.175	0.083	2.048	12.243	12.299	7.553	-3.482	-4.127	-0.035
290	C	289	ARG	1	0.810	0.880	1.750	-265.777	-264.947	20.781	-12.409	-9.202	0.168
291	C	290	ALA	0	0.023	0.020	4.686	0.983	1.105	-0.001	-0.014	-0.107	0.000
293	C	292	HIS	0	0.021	0.022	3.748	-31.389	-30.537	0.018	-0.352	-0.518	0.003
323	C	322	HIS	0	0.020	0.025	1.899	-53.148	-50.099	8.459	-5.726	-5.781	0.076
324	C	323	THR	0	-0.005	-0.020	4.990	-4.601	-4.435	-0.001	-0.018	-0.147	0.000
325	C	324	GLY	0	0.027	0.028	3.373	-8.958	-7.787	0.076	-0.590	-0.657	0.004
326	C	325	THR	0	-0.006	-0.001	4.248	-25.419	-25.153	0.004	-0.090	-0.179	0.001
331	C	330	LYS	1	0.746	0.841	1.763	-281.922	-283.942	15.193	-7.270	-5.902	0.086
332	C	331	MET	0	-0.014	0.012	2.433	-30.439	-26.665	3.027	-2.522	-4.279	0.036
333	C	332	LYS	1	0.905	0.950	5.558	-91.494	-91.450	-0.001	0.000	-0.042	0.000
399	C	398	VAL	0	-0.018	-0.018	4.907	18.860	19.047	-0.001	-0.005	-0.180	0.000
400	C	399	SER	0	0.020	-0.008	2.023	-27.430	-22.481	6.563	-5.443	-6.068	0.035
401	C	400	GLY	0	0.064	0.034	2.132	4.954	8.658	4.418	-3.561	-4.561	0.018
402	C	401	GLY	0	-0.035	-0.019	1.769	-54.157	-59.669	14.575	-4.287	-4.777	0.073
403	C	402	LEU	0	-0.048	-0.031	3.434	-39.660	-38.885	0.067	0.039	-0.881	0.011
404	C	403	ASN	0	0.081	0.006	5.336	0.183	0.253	-0.001	-0.003	-0.066	0.000
423	C	422	THR	0	-0.029	-0.010	4.427	-14.670	-14.507	-0.001	-0.017	-0.144	0.000
424	C	423	MET	0	-0.015	0.002	3.046	14.613	16.612	0.188	-1.001	-1.186	0.008
425	C	424	GLY	0	0.046	0.043	2.106	-43.455	-40.637	5.466	-4.562	-3.721	0.065
426	C	425	SER	0	-0.022	-0.032	1.891	-54.478	-56.377	10.365	-4.032	-4.434	0.055
427	C	426	GLY	0	-0.018	0.004	3.800	-30.617	-30.025	0.028	-0.319	-0.301	0.004
530	D	57	GLU	-1	-0.826	-0.922	5.491	178.670	178.737	-0.001	-0.013	-0.052	0.000
535	D	62	THR	0	-0.056	-0.033	2.016	-7.021	-4.957	4.811	-3.824	-3.050	0.053
536	D	63	ASN	0	0.112	0.058	4.218	-2.869	-2.448	0.004	-0.096	-0.328	0.000
588	D	115	ASN	0	0.071	0.002	2.188	-5.080	-5.647	7.963	-2.679	-4.718	0.007
589	D	116	ILE	0	-0.007	-0.006	4.662	5.970	6.081	-0.001	-0.015	-0.094	0.000
1	C	1	MET	0	-0.002	0.007	41.508	0.000	0.000	0.000	0.000	0.000	0.000
2	C	2	SER	0	-0.025	-0.030	40.992	0.438	0.438	0.000	0.000	0.000	0.000
3	C	3	LEU	0	0.027	0.018	43.451	0.087	0.087	0.000	0.000	0.000	0.000
4	C	4	ILE	0	0.018	0.018	38.014	-0.086	-0.086	0.000	0.000	0.000	0.000
5	C	5	TYR	0	0.053	0.018	35.441	0.306	0.306	0.000	0.000	0.000	0.000
6	C	6	GLU	-1	-0.911	-0.974	40.300	25.544	25.544	0.000	0.000	0.000	0.000
7	C	7	ASP	-1	-0.926	-0.969	43.439	25.708	25.708	0.000	0.000	0.000	0.000
8	C	8	LEU	0	-0.006	-0.002	36.090	0.010	0.010	0.000	0.000	0.000	0.000
9	C	9	VAL	0	0.004	0.010	40.262	0.184	0.184	0.000	0.000	0.000	0.000
10	C	10	LYS	1	0.889	0.932	41.634	-24.777	-24.777	0.000	0.000	0.000	0.000
11	C	11	SER	0	-0.059	-0.017	40.736	-0.178	-0.178	0.000	0.000	0.000	0.000
12	C	12	LEU	0	-0.022	0.012	37.950	0.179	0.179	0.000	0.000	0.000	0.000
13	C	13	ASP	-1	-0.809	-0.898	40.750	28.198	28.198	0.000	0.000	0.000	0.000
14	C	14	SER	0	-0.016	-0.037	42.159	0.432	0.432	0.000	0.000	0.000	0.000
15	C	15	LYS	1	0.746	0.880	36.365	-31.127	-31.127	0.000	0.000	0.000	0.000
16	C	16	GLN	0	0.091	0.030	36.808	-0.053	-0.053	0.000	0.000	0.000	0.000
17	C	17	GLN	0	-0.046	-0.028	37.881	0.123	0.123	0.000	0.000	0.000	0.000
18	C	18	ALA	0	-0.055	-0.012	38.972	-0.010	-0.010	0.000	0.000	0.000	0.000
19	C	19	TYR	0	-0.046	0.002	33.832	-0.038	-0.038	0.000	0.000	0.000	0.000
20	C	20	VAL	0	-0.019	-0.013	34.472	0.993	0.993	0.000	0.000	0.000	0.000
21	C	21	ASP	-1	-0.880	-0.948	36.165	28.727	28.727	0.000	0.000	0.000	0.000
22	C	22	LEU	0	-0.028	-0.013	35.414	0.475	0.475	0.000	0.000	0.000	0.000
23	C	23	LYS	1	0.848	0.935	37.595	-26.691	-26.691	0.000	0.000	0.000	0.000
24	C	24	LEU	0	0.040	0.041	33.772	-0.555	-0.555	0.000	0.000	0.000	0.000
25	C	25	PRO	0	-0.074	-0.033	37.553	0.213	0.213	0.000	0.000	0.000	0.000
26	C	26	ASP	-1	-0.848	-0.945	35.718	32.366	32.366	0.000	0.000	0.000	0.000
27	C	27	PRO	0	0.000	0.002	31.607	0.119	0.119	0.000	0.000	0.000	0.000
28	C	28	THR	0	-0.013	-0.009	29.952	0.993	0.993	0.000	0.000	0.000	0.000
29	C	29	ASN	0	-0.045	-0.025	32.141	0.906	0.906	0.000	0.000	0.000	0.000
30	C	30	GLY	0	0.018	0.005	31.531	-0.483	-0.483	0.000	0.000	0.000	0.000
31	C	31	GLU	-1	-0.917	-0.944	31.532	31.788	31.788	0.000	0.000	0.000	0.000
32	C	32	PHE	0	-0.048	-0.034	29.969	0.252	0.252	0.000	0.000	0.000	0.000
33	C	33	LEU	0	0.007	0.021	22.240	0.351	0.351	0.000	0.000	0.000	0.000
34	C	34	LEU	0	-0.042	-0.023	25.961	-0.398	-0.398	0.000	0.000	0.000	0.000
35	C	35	ALA	0	0.042	0.013	22.904	2.001	2.001	0.000	0.000	0.000	0.000
36	C	36	VAL	0	0.002	0.001	21.809	-1.794	-1.794	0.000	0.000	0.000	0.000
37	C	37	PHE	0	0.025	0.006	21.335	2.516	2.516	0.000	0.000	0.000	0.000
38	C	38	HIS	0	-0.027	0.006	20.645	-0.434	-0.434	0.000	0.000	0.000	0.000
39	C	39	MET	0	-0.071	-0.031	22.463	0.698	0.698	0.000	0.000	0.000	0.000
40	C	40	ILE	0	0.022	0.025	24.724	-0.952	-0.952	0.000	0.000	0.000	0.000
41	C	41	PRO	0	0.011	-0.015	27.410	0.518	0.518	0.000	0.000	0.000	0.000
42	C	42	GLY	0	-0.016	-0.007	30.240	0.519	0.519	0.000	0.000	0.000	0.000
43	C	43	GLY	0	-0.038	-0.001	31.228	-0.425	-0.425	0.000	0.000	0.000	0.000
44	C	44	ASP	-1	-0.889	-0.931	34.740	30.637	30.637	0.000	0.000	0.000	0.000
45	C	45	LEU	0	-0.040	-0.022	34.323	-0.688	-0.688	0.000	0.000	0.000	0.000
46	C	46	ASN	0	-0.039	-0.034	35.251	1.087	1.087	0.000	0.000	0.000	0.000
47	C	47	VAL	0	0.054	-0.003	31.000	0.416	0.416	0.000	0.000	0.000	0.000
48	C	48	LEU	0	0.002	-0.005	32.550	0.795	0.795	0.000	0.000	0.000	0.000
49	C	49	GLN	0	0.016	0.010	34.977	0.446	0.446	0.000	0.000	0.000	0.000
50	C	50	ALA	0	0.074	0.046	30.777	0.131	0.131	0.000	0.000	0.000	0.000
51	C	51	ALA	0	-0.006	-0.004	29.962	0.676	0.676	0.000	0.000	0.000	0.000
52	C	52	ALA	0	-0.019	-0.009	30.940	0.535	0.535	0.000	0.000	0.000	0.000
53	C	53	GLU	-1	-0.797	-0.891	32.211	32.158	32.158	0.000	0.000	0.000	0.000
54	C	54	ILE	0	0.035	0.015	26.223	0.452	0.452	0.000	0.000	0.000	0.000
55	C	55	ALA	0	-0.004	0.015	28.917	0.538	0.538	0.000	0.000	0.000	0.000
56	C	56	ALA	0	-0.030	-0.006	30.282	0.082	0.082	0.000	0.000	0.000	0.000
57	C	57	GLU	-1	-0.780	-0.895	29.202	35.240	35.240	0.000	0.000	0.000	0.000
58	C	58	SER	0	-0.082	-0.046	25.992	1.394	1.394	0.000	0.000	0.000	0.000
59	C	59	SER	0	-0.025	-0.035	27.552	0.051	0.051	0.000	0.000	0.000	0.000
60	C	60	THR	0	-0.002	-0.017	30.356	0.243	0.243	0.000	0.000	0.000	0.000
61	C	61	GLY	0	-0.011	-0.004	33.457	-0.936	-0.936	0.000	0.000	0.000	0.000
62	C	62	THR	0	-0.068	-0.041	33.640	0.623	0.623	0.000	0.000	0.000	0.000
63	C	63	ASN	0	0.068	0.039	35.272	-0.092	-0.092	0.000	0.000	0.000	0.000
64	C	64	ILE	0	-0.027	-0.007	36.663	-0.434	-0.434	0.000	0.000	0.000	0.000
65	C	65	LYS	1	0.934	0.961	40.265	-26.641	-26.641	0.000	0.000	0.000	0.000
66	C	66	VAL	0	0.011	-0.008	40.280	-0.324	-0.324	0.000	0.000	0.000	0.000
67	C	67	SER	0	-0.045	-0.039	42.865	-0.204	-0.204	0.000	0.000	0.000	0.000
68	C	68	THR	0	0.010	-0.005	41.663	-0.375	-0.375	0.000	0.000	0.000	0.000
69	C	69	GLU	-1	-0.862	-0.922	41.148	27.882	27.882	0.000	0.000	0.000	0.000
70	C	70	THR	0	0.041	0.026	42.230	-0.539	-0.539	0.000	0.000	0.000	0.000
71	C	71	ALA	0	-0.037	-0.037	42.662	0.433	0.433	0.000	0.000	0.000	0.000
72	C	72	PHE	0	0.002	0.001	39.654	0.220	0.220	0.000	0.000	0.000	0.000
73	C	73	SER	0	0.051	0.034	38.414	0.651	0.651	0.000	0.000	0.000	0.000
74	C	74	ARG	1	0.923	0.965	37.696	-25.958	-25.958	0.000	0.000	0.000	0.000
75	C	75	THR	0	-0.119	-0.068	38.440	0.504	0.504	0.000	0.000	0.000	0.000
76	C	76	MET	0	0.013	0.004	33.850	0.609	0.609	0.000	0.000	0.000	0.000
77	C	77	ASN	0	0.006	0.026	33.233	1.054	1.054	0.000	0.000	0.000	0.000
78	C	78	ALA	0	0.017	0.014	29.851	-0.067	-0.067	0.000	0.000	0.000	0.000
79	C	79	ARG	1	0.874	0.928	31.748	-32.651	-32.651	0.000	0.000	0.000	0.000
80	C	80	VAL	0	0.024	0.014	30.813	0.880	0.880	0.000	0.000	0.000	0.000
81	C	81	TYR	0	0.026	-0.011	29.028	-0.791	-0.791	0.000	0.000	0.000	0.000
82	C	82	GLN	0	-0.004	-0.010	30.436	-0.739	-0.739	0.000	0.000	0.000	0.000
83	C	83	LEU	0	-0.022	-0.016	30.682	0.646	0.646	0.000	0.000	0.000	0.000
84	C	84	ASP	-1	-0.869	-0.927	28.416	37.515	37.515	0.000	0.000	0.000	0.000
85	C	85	LEU	0	-0.016	-0.028	29.340	0.799	0.799	0.000	0.000	0.000	0.000
86	C	86	GLU	-1	-0.965	-0.965	30.751	35.856	35.856	0.000	0.000	0.000	0.000
87	C	87	ARG	1	0.894	0.951	22.639	-44.539	-44.539	0.000	0.000	0.000	0.000
88	C	88	GLU	-1	-0.892	-0.941	25.494	43.408	43.408	0.000	0.000	0.000	0.000
89	C	89	LEU	0	-0.030	-0.012	23.085	1.586	1.586	0.000	0.000	0.000	0.000
90	C	90	VAL	0	-0.014	-0.019	25.924	-1.986	-1.986	0.000	0.000	0.000	0.000
91	C	91	TRP	0	-0.003	0.005	26.212	1.374	1.374	0.000	0.000	0.000	0.000
92	C	92	ILE	0	-0.008	-0.008	26.737	-1.769	-1.769	0.000	0.000	0.000	0.000
93	C	93	ALA	0	0.001	0.009	27.281	1.224	1.224	0.000	0.000	0.000	0.000
94	C	94	TYR	0	0.032	-0.016	25.353	-0.813	-0.813	0.000	0.000	0.000	0.000
95	C	95	PRO	0	0.002	0.009	28.727	0.624	0.624	0.000	0.000	0.000	0.000
96	C	96	TRP	0	0.027	0.008	27.838	0.251	0.251	0.000	0.000	0.000	0.000
97	C	97	ARG	1	0.787	0.875	29.096	-30.585	-30.585	0.000	0.000	0.000	0.000
98	C	98	LEU	0	-0.037	-0.010	29.094	-0.584	-0.584	0.000	0.000	0.000	0.000
99	C	99	PHE	0	0.025	0.008	25.340	0.234	0.234	0.000	0.000	0.000	0.000
100	C	100	ASP	-1	-0.776	-0.878	26.463	38.437	38.437	0.000	0.000	0.000	0.000
101	C	101	ARG	1	0.882	0.947	27.178	-34.241	-34.241	0.000	0.000	0.000	0.000
102	C	102	GLY	0	0.020	0.014	28.199	0.268	0.268	0.000	0.000	0.000	0.000
103	C	103	GLY	0	0.067	0.042	24.856	1.102	1.102	0.000	0.000	0.000	0.000
104	C	104	ASN	0	-0.032	-0.025	22.638	3.802	3.802	0.000	0.000	0.000	0.000
105	C	105	VAL	0	0.024	-0.001	16.938	-0.794	-0.794	0.000	0.000	0.000	0.000
106	C	106	GLN	0	0.052	0.028	18.797	-0.302	-0.302	0.000	0.000	0.000	0.000
107	C	107	ASN	0	-0.020	0.001	19.777	-0.840	-0.840	0.000	0.000	0.000	0.000
108	C	108	ILE	0	0.019	0.009	20.539	-0.699	-0.699	0.000	0.000	0.000	0.000
109	C	109	LEU	0	-0.010	-0.010	15.394	-0.523	-0.523	0.000	0.000	0.000	0.000
110	C	110	THR	0	-0.019	0.004	19.454	1.244	1.244	0.000	0.000	0.000	0.000
111	C	111	TYR	0	-0.045	-0.011	22.162	-1.414	-1.414	0.000	0.000	0.000	0.000
112	C	112	ILE	0	-0.021	-0.018	19.405	-0.473	-0.473	0.000	0.000	0.000	0.000
113	C	113	ILE	0	-0.028	-0.010	16.105	1.114	1.114	0.000	0.000	0.000	0.000
114	C	114	GLY	0	0.085	0.038	19.092	1.883	1.883	0.000	0.000	0.000	0.000
115	C	115	ASN	0	0.045	-0.010	21.755	-0.386	-0.386	0.000	0.000	0.000	0.000
116	C	116	ILE	0	0.029	0.011	22.821	-0.253	-0.253	0.000	0.000	0.000	0.000
117	C	117	LEU	0	-0.003	0.010	18.010	-0.158	-0.158	0.000	0.000	0.000	0.000
118	C	118	GLY	0	-0.017	-0.006	22.248	0.784	0.784	0.000	0.000	0.000	0.000
119	C	119	MET	0	0.003	0.012	24.649	-1.223	-1.223	0.000	0.000	0.000	0.000
120	C	120	LYS	1	0.865	0.912	27.461	-32.814	-32.814	0.000	0.000	0.000	0.000
121	C	121	GLU	-1	-0.896	-0.944	30.190	34.140	34.140	0.000	0.000	0.000	0.000
122	C	122	ILE	0	-0.074	-0.029	24.240	-0.131	-0.131	0.000	0.000	0.000	0.000
123	C	123	GLN	0	-0.039	-0.019	26.186	0.956	0.956	0.000	0.000	0.000	0.000
124	C	124	ALA	0	0.020	0.007	22.073	1.813	1.813	0.000	0.000	0.000	0.000
125	C	125	LEU	0	0.026	-0.008	21.311	-2.019	-2.019	0.000	0.000	0.000	0.000
126	C	126	LYS	1	0.837	0.935	13.818	-68.259	-68.259	0.000	0.000	0.000	0.000
127	C	127	LEU	0	-0.020	-0.006	17.482	-1.615	-1.615	0.000	0.000	0.000	0.000
128	C	128	MET	0	0.000	-0.007	15.906	4.125	4.125	0.000	0.000	0.000	0.000
129	C	129	ASP	-1	-0.720	-0.872	16.975	58.682	58.682	0.000	0.000	0.000	0.000
130	C	130	ILE	0	-0.025	-0.019	18.003	-1.652	-1.652	0.000	0.000	0.000	0.000
131	C	131	TRP	0	0.025	0.013	20.803	0.619	0.619	0.000	0.000	0.000	0.000
132	C	132	PHE	0	0.017	-0.003	18.616	-1.130	-1.130	0.000	0.000	0.000	0.000
133	C	133	PRO	0	0.023	0.030	24.187	-0.131	-0.131	0.000	0.000	0.000	0.000
134	C	134	PRO	0	0.055	0.012	27.287	0.524	0.524	0.000	0.000	0.000	0.000
135	C	135	SER	0	-0.055	-0.031	28.899	0.464	0.464	0.000	0.000	0.000	0.000
136	C	136	MET	0	0.021	0.031	23.342	-0.368	-0.368	0.000	0.000	0.000	0.000
137	C	137	LEU	0	0.012	-0.006	22.445	0.802	0.802	0.000	0.000	0.000	0.000
138	C	138	GLU	-1	-0.910	-0.956	25.381	39.228	39.228	0.000	0.000	0.000	0.000
139	C	139	GLN	0	-0.135	-0.057	27.111	-1.259	-1.259	0.000	0.000	0.000	0.000
140	C	140	TYR	0	-0.057	-0.025	22.102	-0.035	-0.035	0.000	0.000	0.000	0.000
141	C	141	ASP	-1	-0.842	-0.907	21.381	47.060	47.060	0.000	0.000	0.000	0.000
142	C	142	GLY	0	0.022	0.006	20.067	-1.138	-1.138	0.000	0.000	0.000	0.000
143	C	143	PRO	0	-0.034	-0.016	17.284	-0.825	-0.825	0.000	0.000	0.000	0.000
144	C	144	SER	0	-0.079	-0.047	19.557	-1.794	-1.794	0.000	0.000	0.000	0.000
145	C	145	TYR	0	0.043	0.040	18.462	-0.231	-0.231	0.000	0.000	0.000	0.000
146	C	146	THR	0	-0.018	-0.027	17.907	2.881	2.881	0.000	0.000	0.000	0.000
147	C	147	VAL	0	0.081	0.016	15.132	0.050	0.050	0.000	0.000	0.000	0.000
148	C	148	ASP	-1	-0.852	-0.922	17.361	54.517	54.517	0.000	0.000	0.000	0.000
149	C	149	ASP	-1	-0.896	-0.949	20.923	49.135	49.135	0.000	0.000	0.000	0.000
150	C	150	MET	0	-0.033	-0.008	14.325	0.469	0.469	0.000	0.000	0.000	0.000
151	C	151	ARG	1	0.863	0.921	16.333	-65.949	-65.949	0.000	0.000	0.000	0.000
152	C	152	LYS	1	0.963	1.003	20.808	-44.573	-44.573	0.000	0.000	0.000	0.000
153	C	153	TYR	0	-0.092	-0.040	19.952	-1.249	-1.249	0.000	0.000	0.000	0.000
154	C	154	LEU	0	-0.050	-0.045	16.438	-0.687	-0.687	0.000	0.000	0.000	0.000
155	C	155	ASP	-1	-0.959	-0.962	21.141	45.651	45.651	0.000	0.000	0.000	0.000
156	C	156	VAL	0	-0.058	-0.017	17.757	0.280	0.280	0.000	0.000	0.000	0.000
157	C	157	TYR	0	-0.001	-0.025	21.219	0.962	0.962	0.000	0.000	0.000	0.000
158	C	158	ASP	-1	-0.931	-0.963	22.148	49.494	49.494	0.000	0.000	0.000	0.000
159	C	159	ARG	1	0.865	0.924	16.168	-65.457	-65.457	0.000	0.000	0.000	0.000
160	C	160	PRO	0	0.005	0.011	13.513	-0.801	-0.801	0.000	0.000	0.000	0.000
161	C	161	ILE	0	0.010	0.018	12.697	-1.711	-1.711	0.000	0.000	0.000	0.000
162	C	162	LEU	0	-0.027	-0.019	10.981	7.412	7.412	0.000	0.000	0.000	0.000
163	C	163	GLY	0	0.055	-0.002	9.273	-6.441	-6.441	0.000	0.000	0.000	0.000
164	C	164	THR	0	-0.050	-0.035	6.055	7.678	7.678	0.000	0.000	0.000	0.000
168	C	168	PRO	0	0.020	0.006	7.062	-7.083	-7.083	0.000	0.000	0.000	0.000
170	C	170	MET	0	-0.030	-0.007	7.658	-7.832	-7.832	0.000	0.000	0.000	0.000
171	C	171	GLY	0	-0.006	-0.018	11.308	0.587	0.587	0.000	0.000	0.000	0.000
172	C	172	LEU	0	-0.011	0.015	11.465	-4.184	-4.184	0.000	0.000	0.000	0.000
173	C	173	THR	0	0.005	-0.006	14.986	-0.464	-0.464	0.000	0.000	0.000	0.000
174	C	174	SER	0	0.061	0.010	16.330	2.086	2.086	0.000	0.000	0.000	0.000
175	C	175	ALA	0	-0.039	-0.010	17.749	0.718	0.718	0.000	0.000	0.000	0.000
176	C	176	GLU	-1	-0.905	-0.970	15.840	61.664	61.664	0.000	0.000	0.000	0.000
177	C	177	TYR	0	-0.027	-0.050	9.896	3.926	3.926	0.000	0.000	0.000	0.000
178	C	178	ALA	0	0.035	0.002	13.908	3.111	3.111	0.000	0.000	0.000	0.000
179	C	179	GLU	-1	-0.945	-0.958	16.333	56.963	56.963	0.000	0.000	0.000	0.000
180	C	180	VAL	0	0.014	0.009	9.767	0.989	0.989	0.000	0.000	0.000	0.000
181	C	181	CYS	0	-0.053	-0.011	12.639	3.864	3.864	0.000	0.000	0.000	0.000
182	C	182	TYR	0	-0.048	-0.040	13.797	-1.061	-1.061	0.000	0.000	0.000	0.000
183	C	183	ASP	-1	-0.857	-0.929	14.268	63.928	63.928	0.000	0.000	0.000	0.000
184	C	184	PHE	0	-0.031	-0.003	10.075	0.113	0.113	0.000	0.000	0.000	0.000
185	C	185	TRP	0	0.004	-0.006	13.469	-2.423	-2.423	0.000	0.000	0.000	0.000
186	C	186	VAL	0	-0.037	-0.030	16.183	-2.184	-2.184	0.000	0.000	0.000	0.000
187	C	187	GLY	0	-0.086	-0.032	16.313	-2.514	-2.514	0.000	0.000	0.000	0.000
188	C	188	GLY	0	-0.002	-0.011	16.902	-0.003	-0.003	0.000	0.000	0.000	0.000
189	C	189	GLY	0	0.020	0.016	13.357	0.698	0.698	0.000	0.000	0.000	0.000
190	C	190	ASP	-1	-0.798	-0.895	13.658	67.096	67.096	0.000	0.000	0.000	0.000
191	C	191	PHE	0	-0.005	-0.019	7.940	-3.114	-3.114	0.000	0.000	0.000	0.000
192	C	192	VAL	0	-0.011	-0.002	9.271	5.987	5.987	0.000	0.000	0.000	0.000
194	C	194	ASN	0	0.054	0.032	7.130	-0.439	-0.439	0.000	0.000	0.000	0.000
198	C	197	PRO	0	-0.046	0.005	5.614	-10.243	-10.243	0.000	0.000	0.000	0.000
199	C	198	GLN	0	-0.040	-0.012	8.147	-9.858	-9.858	0.000	0.000	0.000	0.000
200	C	199	ALA	0	0.044	0.019	10.721	-0.537	-0.537	0.000	0.000	0.000	0.000
201	C	200	ASN	0	-0.015	0.010	13.958	-1.557	-1.557	0.000	0.000	0.000	0.000
202	C	201	GLN	0	0.070	0.029	13.107	-3.523	-3.523	0.000	0.000	0.000	0.000
203	C	202	ASP	-1	-0.827	-0.921	17.837	51.458	51.458	0.000	0.000	0.000	0.000
204	C	203	PHE	0	-0.023	-0.010	15.321	-2.510	-2.510	0.000	0.000	0.000	0.000
205	C	204	CYS	0	-0.044	-0.021	15.548	0.207	0.207	0.000	0.000	0.000	0.000
206	C	205	PRO	0	-0.025	0.001	17.678	0.796	0.796	0.000	0.000	0.000	0.000
207	C	206	TYR	0	0.080	0.016	14.492	-0.924	-0.924	0.000	0.000	0.000	0.000
208	C	207	GLU	-1	-0.913	-0.961	18.927	43.956	43.956	0.000	0.000	0.000	0.000
209	C	208	LYS	1	0.861	0.924	21.362	-45.685	-45.685	0.000	0.000	0.000	0.000
210	C	209	MET	0	0.028	0.023	14.431	0.783	0.783	0.000	0.000	0.000	0.000
211	C	210	VAL	0	0.032	0.029	17.808	0.975	0.975	0.000	0.000	0.000	0.000
212	C	211	ALA	0	-0.001	0.005	19.141	-0.603	-0.603	0.000	0.000	0.000	0.000
213	C	212	HIS	0	-0.015	-0.018	19.373	0.264	0.264	0.000	0.000	0.000	0.000
214	C	213	VAL	0	0.039	0.010	15.107	-0.081	-0.081	0.000	0.000	0.000	0.000
215	C	214	LYS	1	0.834	0.948	17.918	-44.688	-44.688	0.000	0.000	0.000	0.000
216	C	215	GLU	-1	-0.958	-0.980	21.000	44.344	44.344	0.000	0.000	0.000	0.000
217	C	216	ALA	0	-0.037	-0.020	18.266	-0.855	-0.855	0.000	0.000	0.000	0.000
218	C	217	MET	0	0.006	0.015	16.751	-0.894	-0.894	0.000	0.000	0.000	0.000
219	C	218	ASP	-1	-0.853	-0.925	19.837	44.971	44.971	0.000	0.000	0.000	0.000
220	C	219	LYS	1	0.793	0.903	22.868	-49.347	-49.347	0.000	0.000	0.000	0.000
221	C	220	ALA	0	0.071	0.025	19.660	-1.108	-1.108	0.000	0.000	0.000	0.000
222	C	221	VAL	0	0.019	0.038	20.963	-0.394	-0.394	0.000	0.000	0.000	0.000
223	C	222	LYS	1	0.886	0.950	23.067	-43.405	-43.405	0.000	0.000	0.000	0.000
224	C	223	GLU	-1	-0.902	-0.964	23.969	45.843	45.843	0.000	0.000	0.000	0.000
225	C	224	THR	0	-0.072	-0.037	20.447	-0.388	-0.388	0.000	0.000	0.000	0.000
226	C	225	GLY	0	-0.038	-0.004	23.861	-0.762	-0.762	0.000	0.000	0.000	0.000
227	C	226	GLN	0	0.008	-0.001	21.249	-1.407	-1.407	0.000	0.000	0.000	0.000
228	C	227	LYS	1	0.856	0.929	21.663	-45.746	-45.746	0.000	0.000	0.000	0.000
229	C	228	LYS	1	0.887	0.942	16.784	-60.863	-60.863	0.000	0.000	0.000	0.000
230	C	229	VAL	0	0.024	0.007	14.125	-1.957	-1.957	0.000	0.000	0.000	0.000
231	C	230	HIS	0	0.015	0.034	11.893	6.866	6.866	0.000	0.000	0.000	0.000
232	C	231	SER	0	-0.049	-0.033	9.575	-5.633	-5.633	0.000	0.000	0.000	0.000
233	C	232	PHE	0	0.028	0.001	10.374	4.758	4.758	0.000	0.000	0.000	0.000
234	C	233	ASN	0	0.038	0.010	9.140	-0.038	-0.038	0.000	0.000	0.000	0.000
235	C	234	VAL	0	-0.022	-0.011	10.980	-4.105	-4.105	0.000	0.000	0.000	0.000
236	C	235	SER	0	-0.014	-0.009	10.331	-4.435	-4.435	0.000	0.000	0.000	0.000
237	C	236	ALA	0	-0.013	-0.008	13.264	-0.040	-0.040	0.000	0.000	0.000	0.000
238	C	237	ALA	0	-0.010	-0.011	16.481	0.697	0.697	0.000	0.000	0.000	0.000
239	C	238	ASP	-1	-0.802	-0.892	19.116	47.706	47.706	0.000	0.000	0.000	0.000
240	C	239	PHE	0	0.029	-0.014	19.153	1.424	1.424	0.000	0.000	0.000	0.000
241	C	240	ASP	-1	-0.823	-0.916	21.764	42.150	42.150	0.000	0.000	0.000	0.000
242	C	241	THR	0	-0.012	-0.023	19.845	-0.296	-0.296	0.000	0.000	0.000	0.000
243	C	242	MET	0	-0.045	0.000	16.795	1.979	1.979	0.000	0.000	0.000	0.000
244	C	243	ILE	0	0.003	-0.004	18.987	0.704	0.704	0.000	0.000	0.000	0.000
245	C	244	GLU	-1	-0.947	-0.960	21.802	45.060	45.060	0.000	0.000	0.000	0.000
246	C	245	ARG	1	0.861	0.930	15.895	-60.148	-60.148	0.000	0.000	0.000	0.000
247	C	246	CYS	0	-0.026	-0.003	18.487	1.475	1.475	0.000	0.000	0.000	0.000
248	C	247	GLU	-1	-0.859	-0.924	19.845	43.661	43.661	0.000	0.000	0.000	0.000
249	C	248	MET	0	-0.037	-0.013	21.214	-0.680	-0.680	0.000	0.000	0.000	0.000
250	C	249	ILE	0	-0.038	-0.017	16.654	-0.556	-0.556	0.000	0.000	0.000	0.000
251	C	250	THR	0	-0.005	-0.001	20.911	-0.051	-0.051	0.000	0.000	0.000	0.000
252	C	251	ASN	0	-0.056	-0.021	23.460	-2.084	-2.084	0.000	0.000	0.000	0.000
253	C	252	ALA	0	-0.022	0.000	22.494	-1.251	-1.251	0.000	0.000	0.000	0.000
254	C	253	GLY	0	-0.040	-0.020	24.572	-0.375	-0.375	0.000	0.000	0.000	0.000
255	C	254	PHE	0	0.004	-0.004	18.840	-0.184	-0.184	0.000	0.000	0.000	0.000
256	C	255	GLU	-1	-0.836	-0.899	23.227	43.951	43.951	0.000	0.000	0.000	0.000
257	C	256	PRO	0	0.012	-0.007	22.613	2.191	2.191	0.000	0.000	0.000	0.000
258	C	257	GLY	0	0.040	0.021	20.897	-0.993	-0.993	0.000	0.000	0.000	0.000
259	C	258	SER	0	-0.032	-0.030	18.873	3.156	3.156	0.000	0.000	0.000	0.000
260	C	259	TYR	0	-0.022	-0.013	16.252	1.962	1.962	0.000	0.000	0.000	0.000
261	C	260	ALA	0	-0.010	0.004	13.104	-1.268	-1.268	0.000	0.000	0.000	0.000
262	C	261	PHE	0	0.009	-0.004	13.738	-0.117	-0.117	0.000	0.000	0.000	0.000
263	C	262	LEU	0	-0.003	-0.001	5.780	1.448	1.448	0.000	0.000	0.000	0.000
264	C	263	ILE	0	-0.001	-0.013	9.800	-4.802	-4.802	0.000	0.000	0.000	0.000
265	C	264	ASP	-1	-0.780	-0.901	6.856	118.232	118.232	0.000	0.000	0.000	0.000
266	C	265	GLY	0	0.012	0.000	9.307	-6.477	-6.477	0.000	0.000	0.000	0.000
267	C	266	ILE	0	-0.056	-0.019	7.713	-4.427	-4.427	0.000	0.000	0.000	0.000
268	C	267	THR	0	-0.020	-0.014	10.193	-6.029	-6.029	0.000	0.000	0.000	0.000
269	C	268	ALA	0	0.018	-0.003	12.545	-5.432	-5.432	0.000	0.000	0.000	0.000
270	C	269	GLY	0	0.030	0.012	13.439	-4.844	-4.844	0.000	0.000	0.000	0.000
271	C	270	TRP	0	0.025	-0.002	12.143	1.146	1.146	0.000	0.000	0.000	0.000
272	C	271	MET	0	0.014	0.017	15.913	-1.223	-1.223	0.000	0.000	0.000	0.000
273	C	272	ALA	0	0.010	0.022	15.718	-1.784	-1.784	0.000	0.000	0.000	0.000
274	C	273	VAL	0	0.006	0.006	12.890	0.254	0.254	0.000	0.000	0.000	0.000
275	C	274	GLN	0	0.022	-0.009	15.813	-0.835	-0.835	0.000	0.000	0.000	0.000
276	C	275	THR	0	0.014	-0.012	19.237	-2.402	-2.402	0.000	0.000	0.000	0.000
277	C	276	LEU	0	-0.008	-0.005	14.932	-1.823	-1.823	0.000	0.000	0.000	0.000
278	C	277	ARG	1	0.851	0.947	18.453	-52.201	-52.201	0.000	0.000	0.000	0.000
279	C	278	ARG	1	0.818	0.871	20.017	-47.357	-47.357	0.000	0.000	0.000	0.000
280	C	279	ARG	1	0.807	0.891	22.482	-45.159	-45.159	0.000	0.000	0.000	0.000
281	C	280	TYR	0	-0.091	-0.066	20.028	-0.808	-0.808	0.000	0.000	0.000	0.000
282	C	281	PRO	0	-0.004	0.019	20.675	2.349	2.349	0.000	0.000	0.000	0.000
283	C	282	ASP	-1	-0.890	-0.945	22.776	45.260	45.260	0.000	0.000	0.000	0.000
284	C	283	VAL	0	-0.051	-0.024	17.262	0.087	0.087	0.000	0.000	0.000	0.000
285	C	284	PHE	0	-0.015	-0.007	12.011	0.409	0.409	0.000	0.000	0.000	0.000
286	C	285	LEU	0	-0.004	0.003	13.483	2.007	2.007	0.000	0.000	0.000	0.000
287	C	286	HIS	0	0.004	-0.018	6.030	-7.545	-7.545	0.000	0.000	0.000	0.000
288	C	287	PHE	0	0.026	0.003	7.323	-0.419	-0.419	0.000	0.000	0.000	0.000
292	C	291	ALA	0	0.013	0.003	5.489	-11.893	-11.893	0.000	0.000	0.000	0.000
294	C	293	GLY	0	0.014	0.020	7.585	-4.489	-4.489	0.000	0.000	0.000	0.000
295	C	294	ALA	0	0.021	0.011	8.789	-5.988	-5.988	0.000	0.000	0.000	0.000
296	C	295	PHE	0	-0.019	0.005	11.010	-5.429	-5.429	0.000	0.000	0.000	0.000
297	C	296	THR	0	-0.006	-0.032	7.655	-5.429	-5.429	0.000	0.000	0.000	0.000
298	C	297	ARG	1	0.755	0.885	8.820	-95.501	-95.501	0.000	0.000	0.000	0.000
299	C	298	GLN	0	-0.008	-0.011	10.801	-7.366	-7.366	0.000	0.000	0.000	0.000
300	C	299	GLU	-1	-0.777	-0.896	12.700	78.139	78.139	0.000	0.000	0.000	0.000
301	C	300	ASN	0	-0.040	-0.025	14.310	-4.371	-4.371	0.000	0.000	0.000	0.000
302	C	301	PRO	0	0.037	0.021	16.161	1.015	1.015	0.000	0.000	0.000	0.000
303	C	302	ILE	0	-0.036	-0.001	18.721	-1.162	-1.162	0.000	0.000	0.000	0.000
304	C	303	GLY	0	-0.001	-0.015	15.458	3.461	3.461	0.000	0.000	0.000	0.000
305	C	304	PHE	0	-0.024	-0.006	10.626	-3.568	-3.568	0.000	0.000	0.000	0.000
306	C	305	SER	0	0.022	-0.007	12.622	5.816	5.816	0.000	0.000	0.000	0.000
307	C	306	VAL	0	0.080	0.026	7.357	-0.648	-0.648	0.000	0.000	0.000	0.000
308	C	307	LEU	0	-0.002	0.015	9.976	1.519	1.519	0.000	0.000	0.000	0.000
309	C	308	VAL	0	0.009	0.011	12.987	-1.127	-1.127	0.000	0.000	0.000	0.000
310	C	309	LEU	0	-0.006	-0.004	7.088	-1.358	-1.358	0.000	0.000	0.000	0.000
311	C	310	SER	0	0.013	-0.007	9.442	2.210	2.210	0.000	0.000	0.000	0.000
312	C	311	LYS	1	0.802	0.894	11.061	-58.257	-58.257	0.000	0.000	0.000	0.000
313	C	312	PHE	0	0.029	0.001	14.075	-3.127	-3.127	0.000	0.000	0.000	0.000
314	C	313	ALA	0	0.025	0.022	10.966	-2.463	-2.463	0.000	0.000	0.000	0.000
315	C	314	ARG	1	0.801	0.899	13.046	-60.322	-60.322	0.000	0.000	0.000	0.000
316	C	315	LEU	0	-0.025	-0.019	15.594	-2.447	-2.447	0.000	0.000	0.000	0.000
317	C	316	ALA	0	-0.008	-0.018	15.416	-2.505	-2.505	0.000	0.000	0.000	0.000
318	C	317	GLY	0	-0.012	0.006	16.943	-1.746	-1.746	0.000	0.000	0.000	0.000
319	C	318	ALA	0	0.004	-0.004	12.272	-0.213	-0.213	0.000	0.000	0.000	0.000
320	C	319	SER	0	0.022	0.028	14.400	-0.975	-0.975	0.000	0.000	0.000	0.000
321	C	320	GLY	0	0.019	0.008	11.279	-1.123	-1.123	0.000	0.000	0.000	0.000
322	C	321	ILE	0	-0.028	0.008	6.774	-0.200	-0.200	0.000	0.000	0.000	0.000
327	C	326	ALA	0	0.042	0.010	6.991	-11.264	-11.264	0.000	0.000	0.000	0.000
328	C	327	GLY	0	-0.007	0.005	7.640	-9.129	-9.129	0.000	0.000	0.000	0.000
329	C	328	ILE	0	-0.047	0.001	9.180	-3.403	-3.403	0.000	0.000	0.000	0.000
330	C	329	GLY	0	0.011	0.014	7.021	-3.505	-3.505	0.000	0.000	0.000	0.000
334	C	333	GLY	0	0.082	0.027	6.376	7.861	7.861	0.000	0.000	0.000	0.000
335	C	334	THR	0	-0.083	-0.030	9.065	-7.181	-7.181	0.000	0.000	0.000	0.000
336	C	335	PRO	0	0.050	0.020	10.766	2.907	2.907	0.000	0.000	0.000	0.000
337	C	336	ALA	0	0.001	-0.006	12.864	-0.521	-0.521	0.000	0.000	0.000	0.000
338	C	337	GLU	-1	-0.931	-0.955	10.500	82.129	82.129	0.000	0.000	0.000	0.000
339	C	338	ASP	-1	-0.800	-0.922	6.633	121.555	121.555	0.000	0.000	0.000	0.000
340	C	339	VAL	0	-0.015	-0.005	9.431	1.694	1.694	0.000	0.000	0.000	0.000
341	C	340	VAL	0	-0.025	0.000	12.468	-2.694	-2.694	0.000	0.000	0.000	0.000
342	C	341	ALA	0	-0.006	-0.003	10.342	-3.286	-3.286	0.000	0.000	0.000	0.000
343	C	342	ALA	0	0.011	0.008	10.595	-1.819	-1.819	0.000	0.000	0.000	0.000
344	C	343	HIS	1	0.891	0.936	12.157	-70.716	-70.716	0.000	0.000	0.000	0.000
345	C	344	SER	0	0.001	0.002	15.202	-4.366	-4.366	0.000	0.000	0.000	0.000
346	C	345	ILE	0	-0.029	-0.013	10.659	-3.466	-3.466	0.000	0.000	0.000	0.000
347	C	346	GLN	0	0.008	-0.008	13.996	-3.540	-3.540	0.000	0.000	0.000	0.000
348	C	347	TYR	0	-0.001	0.019	16.360	-1.278	-1.278	0.000	0.000	0.000	0.000
349	C	348	LEU	0	-0.009	0.018	19.881	0.675	0.675	0.000	0.000	0.000	0.000
350	C	349	LYS	1	0.934	0.962	22.913	-41.790	-41.790	0.000	0.000	0.000	0.000
351	C	350	SER	0	0.006	0.005	19.406	0.819	0.819	0.000	0.000	0.000	0.000
352	C	351	PRO	0	0.012	-0.002	20.079	-0.897	-0.897	0.000	0.000	0.000	0.000
353	C	352	GLY	0	0.015	0.043	18.922	-1.600	-1.600	0.000	0.000	0.000	0.000
354	C	353	HIS	0	-0.032	-0.030	14.086	-1.546	-1.546	0.000	0.000	0.000	0.000
355	C	354	PHE	0	-0.094	-0.064	19.362	-1.887	-1.887	0.000	0.000	0.000	0.000
356	C	355	PHE	0	-0.065	-0.021	22.028	-2.590	-2.590	0.000	0.000	0.000	0.000
357	C	356	GLU	-1	-0.912	-0.950	22.386	43.421	43.421	0.000	0.000	0.000	0.000
358	C	357	GLN	0	-0.015	-0.003	20.678	-0.130	-0.130	0.000	0.000	0.000	0.000
359	C	358	THR	0	0.043	0.016	22.886	1.684	1.684	0.000	0.000	0.000	0.000
360	C	359	TRP	0	-0.058	-0.031	17.401	-0.915	-0.915	0.000	0.000	0.000	0.000
361	C	360	SER	0	-0.016	-0.012	23.795	0.363	0.363	0.000	0.000	0.000	0.000
362	C	361	LYS	1	0.931	0.968	25.545	-42.930	-42.930	0.000	0.000	0.000	0.000
363	C	362	ILE	0	-0.047	-0.023	29.061	-1.327	-1.327	0.000	0.000	0.000	0.000
364	C	363	MET	0	0.004	-0.012	31.255	0.998	0.998	0.000	0.000	0.000	0.000
365	C	364	ASP	-1	-0.784	-0.907	29.675	38.930	38.930	0.000	0.000	0.000	0.000
366	C	365	THR	0	-0.053	-0.037	32.187	-0.096	-0.096	0.000	0.000	0.000	0.000
367	C	366	ASP	-1	-0.895	-0.928	35.064	31.158	31.158	0.000	0.000	0.000	0.000
368	C	367	LYS	1	0.905	0.947	35.197	-31.717	-31.717	0.000	0.000	0.000	0.000
369	C	368	ASP	-1	-0.917	-0.968	35.001	32.681	32.681	0.000	0.000	0.000	0.000
370	C	369	VAL	0	0.019	0.014	29.752	1.032	1.032	0.000	0.000	0.000	0.000
371	C	370	ILE	0	-0.044	-0.024	30.769	0.892	0.892	0.000	0.000	0.000	0.000
372	C	371	ASN	0	-0.064	-0.037	31.862	0.412	0.412	0.000	0.000	0.000	0.000
373	C	372	LEU	0	0.082	0.048	28.275	0.766	0.766	0.000	0.000	0.000	0.000
374	C	373	VAL	0	0.033	0.022	26.798	1.434	1.434	0.000	0.000	0.000	0.000
375	C	374	ASN	0	-0.040	-0.029	27.261	1.493	1.493	0.000	0.000	0.000	0.000
376	C	375	GLU	-1	-0.973	-0.993	29.158	37.922	37.922	0.000	0.000	0.000	0.000
377	C	376	ASP	-1	-0.822	-0.922	22.759	51.898	51.898	0.000	0.000	0.000	0.000
378	C	377	LEU	0	-0.046	-0.025	24.106	1.467	1.467	0.000	0.000	0.000	0.000
379	C	378	ALA	0	-0.100	-0.041	25.393	0.593	0.593	0.000	0.000	0.000	0.000
380	C	379	HIS	0	-0.016	-0.002	21.224	0.060	0.060	0.000	0.000	0.000	0.000
381	C	380	HIS	1	0.821	0.919	24.547	-41.969	-41.969	0.000	0.000	0.000	0.000
382	C	381	VAL	0	0.079	0.044	23.546	0.572	0.572	0.000	0.000	0.000	0.000
383	C	382	ILE	0	-0.008	0.000	24.765	-1.849	-1.849	0.000	0.000	0.000	0.000
384	C	383	LEU	0	-0.043	-0.020	24.263	1.396	1.396	0.000	0.000	0.000	0.000
385	C	384	GLU	-1	-0.967	-0.982	27.518	41.911	41.911	0.000	0.000	0.000	0.000
386	C	385	ASP	-1	-0.956	-0.980	28.958	35.385	35.385	0.000	0.000	0.000	0.000
387	C	386	ASP	-1	-0.808	-0.912	30.805	37.227	37.227	0.000	0.000	0.000	0.000
388	C	387	SER	0	-0.016	-0.020	27.488	0.745	0.745	0.000	0.000	0.000	0.000
389	C	388	TRP	0	-0.002	-0.003	28.287	0.854	0.854	0.000	0.000	0.000	0.000
390	C	389	ARG	1	0.872	0.939	30.223	-35.065	-35.065	0.000	0.000	0.000	0.000
391	C	390	ALA	0	0.042	0.015	25.549	-0.158	-0.158	0.000	0.000	0.000	0.000
392	C	391	MET	0	-0.076	0.018	21.212	0.996	0.996	0.000	0.000	0.000	0.000
393	C	392	LYS	1	0.969	0.995	21.125	-46.146	-46.146	0.000	0.000	0.000	0.000
394	C	393	LYS	1	0.873	0.947	17.463	-56.847	-56.847	0.000	0.000	0.000	0.000
395	C	394	CYS	0	-0.068	-0.028	12.853	1.473	1.473	0.000	0.000	0.000	0.000
396	C	395	CYS	0	-0.022	-0.031	11.559	-0.575	-0.575	0.000	0.000	0.000	0.000
397	C	396	PRO	0	-0.008	0.004	9.093	5.143	5.143	0.000	0.000	0.000	0.000
398	C	397	ILE	0	-0.013	0.007	5.600	-4.989	-4.989	0.000	0.000	0.000	0.000
405	C	404	PRO	0	0.029	0.008	7.951	-2.344	-2.344	0.000	0.000	0.000	0.000
406	C	405	VAL	0	0.000	0.016	11.175	-4.261	-4.261	0.000	0.000	0.000	0.000
407	C	406	LYS	1	0.830	0.910	8.027	-120.480	-120.480	0.000	0.000	0.000	0.000
408	C	407	LEU	0	0.013	0.025	11.253	1.020	1.020	0.000	0.000	0.000	0.000
409	C	408	LYS	1	0.936	0.967	12.208	-59.721	-59.721	0.000	0.000	0.000	0.000
410	C	409	PRO	0	-0.003	0.002	13.719	-1.189	-1.189	0.000	0.000	0.000	0.000
411	C	410	PHE	0	0.029	0.015	9.739	0.709	0.709	0.000	0.000	0.000	0.000
412	C	411	ILE	0	0.011	-0.006	13.301	-1.719	-1.719	0.000	0.000	0.000	0.000
413	C	412	ASP	-1	-0.894	-0.947	15.577	59.920	59.920	0.000	0.000	0.000	0.000
414	C	413	VAL	0	-0.048	-0.025	12.901	-2.489	-2.489	0.000	0.000	0.000	0.000
415	C	414	MET	0	-0.060	-0.008	10.898	-1.302	-1.302	0.000	0.000	0.000	0.000
416	C	415	GLU	-1	-0.966	-0.984	14.812	54.617	54.617	0.000	0.000	0.000	0.000
417	C	416	ASN	0	-0.047	-0.032	15.929	-0.154	-0.154	0.000	0.000	0.000	0.000
418	C	417	VAL	0	0.055	0.014	15.811	3.190	3.190	0.000	0.000	0.000	0.000
419	C	418	ASP	-1	-0.865	-0.912	15.969	65.584	65.584	0.000	0.000	0.000	0.000
420	C	419	PHE	0	-0.014	-0.024	10.556	1.487	1.487	0.000	0.000	0.000	0.000
421	C	420	ILE	0	0.021	0.021	9.065	-3.840	-3.840	0.000	0.000	0.000	0.000
422	C	421	THR	0	-0.008	0.001	7.150	5.787	5.787	0.000	0.000	0.000	0.000
428	C	427	VAL	0	-0.020	-0.006	6.099	-14.945	-14.945	0.000	0.000	0.000	0.000
429	C	428	HIS	0	0.080	0.019	5.611	-20.609	-20.609	0.000	0.000	0.000	0.000
430	C	429	SER	0	-0.052	-0.031	7.297	-12.016	-12.016	0.000	0.000	0.000	0.000
431	C	430	HIS	0	-0.046	0.003	8.984	-6.053	-6.053	0.000	0.000	0.000	0.000
432	C	431	PRO	0	-0.016	-0.017	11.690	-2.307	-2.307	0.000	0.000	0.000	0.000
433	C	432	GLY	0	-0.024	-0.011	15.117	-2.676	-2.676	0.000	0.000	0.000	0.000
434	C	433	GLY	0	0.018	0.018	13.122	-2.915	-2.915	0.000	0.000	0.000	0.000
435	C	434	THR	0	0.019	0.008	10.645	0.315	0.315	0.000	0.000	0.000	0.000
436	C	435	GLN	0	-0.043	-0.014	12.080	-0.174	-0.174	0.000	0.000	0.000	0.000
437	C	436	SER	0	-0.026	-0.017	15.187	-1.189	-1.189	0.000	0.000	0.000	0.000
438	C	437	GLY	0	0.072	0.034	11.074	-0.752	-0.752	0.000	0.000	0.000	0.000
439	C	438	ALA	0	-0.020	-0.001	11.471	3.484	3.484	0.000	0.000	0.000	0.000
440	C	439	LYS	1	0.956	0.978	12.623	-58.136	-58.136	0.000	0.000	0.000	0.000
441	C	440	ALA	0	-0.020	-0.001	12.925	-1.788	-1.788	0.000	0.000	0.000	0.000
442	C	441	LEU	0	0.009	-0.007	8.709	-1.305	-1.305	0.000	0.000	0.000	0.000
443	C	442	VAL	0	0.003	0.006	12.357	-1.138	-1.138	0.000	0.000	0.000	0.000
444	C	443	GLN	0	-0.029	-0.025	15.489	-1.987	-1.987	0.000	0.000	0.000	0.000
445	C	444	ALA	0	0.020	0.008	13.952	-2.496	-2.496	0.000	0.000	0.000	0.000
446	C	445	CYS	0	-0.024	-0.003	14.785	-0.366	-0.366	0.000	0.000	0.000	0.000
447	C	446	ASP	-1	-0.906	-0.954	16.441	54.256	54.256	0.000	0.000	0.000	0.000
448	C	447	ALA	0	-0.055	-0.026	18.919	-2.514	-2.514	0.000	0.000	0.000	0.000
449	C	448	TYR	0	0.002	-0.001	17.938	-2.161	-2.161	0.000	0.000	0.000	0.000
450	C	449	LEU	0	-0.016	-0.013	19.422	-1.987	-1.987	0.000	0.000	0.000	0.000
451	C	450	GLN	0	-0.066	-0.030	22.100	-3.394	-3.394	0.000	0.000	0.000	0.000
452	C	451	GLY	0	-0.040	-0.005	23.706	-1.839	-1.839	0.000	0.000	0.000	0.000
453	C	452	MET	0	-0.076	-0.023	23.423	-1.663	-1.663	0.000	0.000	0.000	0.000
454	C	453	ASP	-1	-0.860	-0.932	21.770	56.187	56.187	0.000	0.000	0.000	0.000
455	C	454	ILE	0	0.060	0.013	16.137	-1.007	-1.007	0.000	0.000	0.000	0.000
456	C	455	GLU	-1	-0.923	-0.962	19.944	53.495	53.495	0.000	0.000	0.000	0.000
457	C	456	GLU	-1	-1.026	-1.012	22.288	41.226	41.226	0.000	0.000	0.000	0.000
458	C	457	TYR	0	0.047	-0.004	20.648	-1.962	-1.962	0.000	0.000	0.000	0.000
459	C	458	ALA	0	-0.032	-0.014	20.436	-0.666	-0.666	0.000	0.000	0.000	0.000
460	C	459	LYS	1	0.864	0.951	22.217	-42.120	-42.120	0.000	0.000	0.000	0.000
461	C	460	ASP	-1	-0.954	-0.976	25.701	41.488	41.488	0.000	0.000	0.000	0.000
462	C	461	HIS	1	0.798	0.905	20.819	-49.640	-49.640	0.000	0.000	0.000	0.000
463	C	462	LYS	1	0.986	1.006	20.975	-49.096	-49.096	0.000	0.000	0.000	0.000
464	C	463	GLU	-1	-0.832	-0.916	16.536	55.825	55.825	0.000	0.000	0.000	0.000
465	C	464	LEU	0	0.057	0.025	15.858	3.411	3.411	0.000	0.000	0.000	0.000
466	C	465	ALA	0	-0.015	-0.006	17.312	1.114	1.114	0.000	0.000	0.000	0.000
467	C	466	GLU	-1	-1.023	-1.048	17.232	57.331	57.331	0.000	0.000	0.000	0.000
468	C	467	ALA	0	0.009	0.021	13.259	2.253	2.253	0.000	0.000	0.000	0.000
469	C	468	ILE	0	-0.002	0.004	14.648	3.011	3.011	0.000	0.000	0.000	0.000
470	C	469	GLU	-1	-0.968	-0.981	16.815	54.422	54.422	0.000	0.000	0.000	0.000
471	C	470	PHE	0	-0.035	-0.018	10.318	0.774	0.774	0.000	0.000	0.000	0.000
472	C	471	TYR	0	-0.034	-0.029	8.733	3.209	3.209	0.000	0.000	0.000	0.000
473	C	472	LEU	0	-0.056	-0.005	12.950	0.488	0.488	0.000	0.000	0.000	0.000
474	D	1	MET	0	0.024	0.025	28.336	0.102	0.102	0.000	0.000	0.000	0.000
475	D	2	SER	0	-0.018	-0.036	32.227	0.013	0.013	0.000	0.000	0.000	0.000
476	D	3	LEU	0	0.022	0.012	32.020	0.592	0.592	0.000	0.000	0.000	0.000
477	D	4	ILE	0	0.039	0.028	28.918	0.600	0.600	0.000	0.000	0.000	0.000
478	D	5	TYR	0	0.017	0.004	27.492	0.966	0.966	0.000	0.000	0.000	0.000
479	D	6	GLU	-1	-0.931	-0.986	26.940	38.655	38.655	0.000	0.000	0.000	0.000
480	D	7	ASP	-1	-0.931	-0.969	27.553	40.615	40.615	0.000	0.000	0.000	0.000
481	D	8	LEU	0	-0.016	-0.001	23.049	1.307	1.307	0.000	0.000	0.000	0.000
482	D	9	VAL	0	0.009	0.013	22.655	2.155	2.155	0.000	0.000	0.000	0.000
483	D	10	LYS	1	0.874	0.938	23.143	-39.067	-39.067	0.000	0.000	0.000	0.000
484	D	11	SER	0	-0.061	-0.026	21.670	1.130	1.130	0.000	0.000	0.000	0.000
485	D	12	LEU	0	-0.018	0.021	18.104	2.137	2.137	0.000	0.000	0.000	0.000
486	D	13	ASP	-1	-0.767	-0.881	14.166	73.680	73.680	0.000	0.000	0.000	0.000
487	D	14	SER	0	-0.027	-0.040	16.076	0.028	0.028	0.000	0.000	0.000	0.000
488	D	15	LYS	1	0.800	0.900	8.991	-106.089	-106.089	0.000	0.000	0.000	0.000
489	D	16	GLN	0	0.103	0.050	13.498	-4.364	-4.364	0.000	0.000	0.000	0.000
490	D	17	GLN	0	-0.052	-0.033	15.269	-2.112	-2.112	0.000	0.000	0.000	0.000
491	D	18	ALA	0	-0.089	-0.032	14.927	-2.807	-2.807	0.000	0.000	0.000	0.000
492	D	19	TYR	0	-0.026	0.003	11.338	1.440	1.440	0.000	0.000	0.000	0.000
493	D	20	VAL	0	-0.027	-0.013	16.475	-0.547	-0.547	0.000	0.000	0.000	0.000
494	D	21	ASP	-1	-0.914	-0.962	20.062	45.934	45.934	0.000	0.000	0.000	0.000
495	D	22	LEU	0	-0.011	-0.013	23.474	-1.202	-1.202	0.000	0.000	0.000	0.000
496	D	23	LYS	1	0.868	0.945	26.107	-43.532	-43.532	0.000	0.000	0.000	0.000
497	D	24	LEU	0	0.025	0.028	24.223	-1.028	-1.028	0.000	0.000	0.000	0.000
498	D	25	PRO	0	-0.071	-0.036	27.281	-0.823	-0.823	0.000	0.000	0.000	0.000
499	D	26	ASP	-1	-0.843	-0.937	29.727	37.316	37.316	0.000	0.000	0.000	0.000
500	D	27	PRO	0	-0.005	0.007	26.187	0.693	0.693	0.000	0.000	0.000	0.000
501	D	28	THR	0	-0.028	-0.014	27.122	0.888	0.888	0.000	0.000	0.000	0.000
502	D	29	ASN	0	0.011	0.012	27.925	-0.013	-0.013	0.000	0.000	0.000	0.000
503	D	30	GLY	0	-0.002	-0.004	28.020	-0.781	-0.781	0.000	0.000	0.000	0.000
504	D	31	GLU	-1	-0.936	-0.969	24.500	46.473	46.473	0.000	0.000	0.000	0.000
505	D	32	PHE	0	-0.061	-0.041	21.529	2.917	2.917	0.000	0.000	0.000	0.000
506	D	33	LEU	0	0.013	0.029	18.085	-1.864	-1.864	0.000	0.000	0.000	0.000
507	D	34	LEU	0	-0.052	-0.021	20.559	2.316	2.316	0.000	0.000	0.000	0.000
508	D	35	ALA	0	0.050	0.015	18.350	-0.220	-0.220	0.000	0.000	0.000	0.000
509	D	36	VAL	0	-0.012	0.009	20.382	0.122	0.122	0.000	0.000	0.000	0.000
510	D	37	PHE	0	0.007	0.000	14.044	0.656	0.656	0.000	0.000	0.000	0.000
511	D	38	HIS	0	-0.004	0.006	19.160	-1.072	-1.072	0.000	0.000	0.000	0.000
512	D	39	MET	0	-0.070	-0.032	16.059	2.861	2.861	0.000	0.000	0.000	0.000
513	D	40	ILE	0	0.069	0.037	17.897	-2.405	-2.405	0.000	0.000	0.000	0.000
514	D	41	PRO	0	0.009	0.001	17.004	3.188	3.188	0.000	0.000	0.000	0.000
515	D	42	GLY	0	-0.026	0.000	15.483	-3.503	-3.503	0.000	0.000	0.000	0.000
516	D	43	GLY	0	-0.042	-0.020	16.274	1.186	1.186	0.000	0.000	0.000	0.000
517	D	44	ASP	-1	-0.885	-0.937	15.746	71.460	71.460	0.000	0.000	0.000	0.000
518	D	45	LEU	0	-0.055	-0.012	12.423	-3.175	-3.175	0.000	0.000	0.000	0.000
519	D	46	ASN	0	-0.026	-0.011	16.992	-0.864	-0.864	0.000	0.000	0.000	0.000
520	D	47	VAL	0	0.095	0.022	18.467	2.673	2.673	0.000	0.000	0.000	0.000
521	D	48	LEU	0	0.004	-0.005	19.106	1.769	1.769	0.000	0.000	0.000	0.000
522	D	49	GLN	0	-0.019	-0.021	15.994	2.825	2.825	0.000	0.000	0.000	0.000
523	D	50	ALA	0	0.059	0.032	14.427	4.308	4.308	0.000	0.000	0.000	0.000
524	D	51	ALA	0	-0.011	-0.017	14.354	4.453	4.453	0.000	0.000	0.000	0.000
525	D	52	ALA	0	-0.009	0.000	15.234	1.571	1.571	0.000	0.000	0.000	0.000
526	D	53	GLU	-1	-0.824	-0.916	9.295	107.068	107.068	0.000	0.000	0.000	0.000
527	D	54	ILE	0	-0.003	0.001	10.546	7.686	7.686	0.000	0.000	0.000	0.000
528	D	55	ALA	0	0.023	0.001	11.529	3.560	3.560	0.000	0.000	0.000	0.000
529	D	56	ALA	0	-0.029	-0.003	9.819	0.877	0.877	0.000	0.000	0.000	0.000
531	D	58	SER	0	-0.024	0.007	7.737	5.147	5.147	0.000	0.000	0.000	0.000
532	D	59	SER	0	-0.029	-0.047	10.205	-8.630	-8.630	0.000	0.000	0.000	0.000
533	D	60	THR	0	0.011	-0.005	10.327	4.045	4.045	0.000	0.000	0.000	0.000
534	D	61	GLY	0	-0.013	-0.005	8.194	-0.703	-0.703	0.000	0.000	0.000	0.000
537	D	64	ILE	0	-0.069	-0.026	5.895	-16.219	-16.219	0.000	0.000	0.000	0.000
538	D	65	LYS	1	0.873	0.946	6.938	-66.114	-66.114	0.000	0.000	0.000	0.000
539	D	66	VAL	0	0.012	-0.001	6.104	0.790	0.790	0.000	0.000	0.000	0.000
540	D	67	SER	0	-0.037	-0.037	9.126	-7.398	-7.398	0.000	0.000	0.000	0.000
541	D	68	THR	0	0.028	-0.009	9.223	-4.521	-4.521	0.000	0.000	0.000	0.000
542	D	69	GLU	-1	-0.892	-0.944	11.332	72.700	72.700	0.000	0.000	0.000	0.000
543	D	70	THR	0	0.050	0.027	12.596	-4.673	-4.673	0.000	0.000	0.000	0.000
544	D	71	ALA	0	-0.005	-0.017	16.138	0.952	0.952	0.000	0.000	0.000	0.000
545	D	72	PHE	0	-0.013	-0.008	18.402	-1.317	-1.317	0.000	0.000	0.000	0.000
546	D	73	SER	0	0.013	0.020	13.667	1.420	1.420	0.000	0.000	0.000	0.000
547	D	74	ARG	1	0.969	0.987	15.516	-60.577	-60.577	0.000	0.000	0.000	0.000
548	D	75	THR	0	-0.123	-0.067	16.620	-0.936	-0.936	0.000	0.000	0.000	0.000
549	D	76	MET	0	-0.028	-0.013	15.863	-2.655	-2.655	0.000	0.000	0.000	0.000
550	D	77	ASN	0	0.025	0.038	14.303	3.939	3.939	0.000	0.000	0.000	0.000
551	D	78	ALA	0	0.009	0.013	14.879	-4.662	-4.662	0.000	0.000	0.000	0.000
552	D	79	ARG	1	0.866	0.927	16.611	-55.714	-55.714	0.000	0.000	0.000	0.000
553	D	80	VAL	0	0.049	0.024	17.830	-1.756	-1.756	0.000	0.000	0.000	0.000
554	D	81	TYR	0	0.017	-0.010	20.461	-1.118	-1.118	0.000	0.000	0.000	0.000
555	D	82	GLN	0	-0.009	-0.011	23.883	-3.138	-3.138	0.000	0.000	0.000	0.000
556	D	83	LEU	0	-0.008	-0.006	22.290	2.177	2.177	0.000	0.000	0.000	0.000
557	D	84	ASP	-1	-0.804	-0.895	25.415	39.883	39.883	0.000	0.000	0.000	0.000
558	D	85	LEU	0	-0.017	-0.029	25.525	1.322	1.322	0.000	0.000	0.000	0.000
559	D	86	GLU	-1	-0.997	-0.967	27.508	37.239	37.239	0.000	0.000	0.000	0.000
560	D	87	ARG	1	0.870	0.912	27.534	-40.713	-40.713	0.000	0.000	0.000	0.000
561	D	88	GLU	-1	-0.931	-0.950	23.042	52.476	52.476	0.000	0.000	0.000	0.000
562	D	89	LEU	0	-0.034	-0.009	22.532	1.906	1.906	0.000	0.000	0.000	0.000
563	D	90	VAL	0	-0.011	-0.016	18.869	-0.812	-0.812	0.000	0.000	0.000	0.000
564	D	91	TRP	0	-0.011	0.000	20.827	0.960	0.960	0.000	0.000	0.000	0.000
565	D	92	ILE	0	-0.012	-0.018	16.072	0.191	0.191	0.000	0.000	0.000	0.000
566	D	93	ALA	0	-0.001	0.012	19.780	-1.139	-1.139	0.000	0.000	0.000	0.000
567	D	94	TYR	0	0.013	-0.028	13.312	1.044	1.044	0.000	0.000	0.000	0.000
568	D	95	PRO	0	0.017	0.013	17.482	-2.460	-2.460	0.000	0.000	0.000	0.000
569	D	96	TRP	0	0.042	0.008	18.177	2.877	2.877	0.000	0.000	0.000	0.000
570	D	97	ARG	1	0.795	0.884	19.152	-50.378	-50.378	0.000	0.000	0.000	0.000
571	D	98	LEU	0	-0.010	0.000	13.078	1.133	1.133	0.000	0.000	0.000	0.000
572	D	99	PHE	0	0.001	0.000	14.634	3.541	3.541	0.000	0.000	0.000	0.000
573	D	100	ASP	-1	-0.762	-0.880	14.900	59.775	59.775	0.000	0.000	0.000	0.000
574	D	101	ARG	1	0.844	0.930	16.713	-53.652	-53.652	0.000	0.000	0.000	0.000
575	D	102	GLY	0	0.031	0.018	20.025	0.716	0.716	0.000	0.000	0.000	0.000
576	D	103	GLY	0	0.069	0.039	22.050	-0.109	-0.109	0.000	0.000	0.000	0.000
577	D	104	ASN	0	-0.020	-0.009	14.711	-0.141	-0.141	0.000	0.000	0.000	0.000
578	D	105	VAL	0	0.051	0.014	17.311	2.058	2.058	0.000	0.000	0.000	0.000
579	D	106	GLN	0	0.024	-0.002	11.065	0.857	0.857	0.000	0.000	0.000	0.000
580	D	107	ASN	0	0.011	0.024	11.289	1.532	1.532	0.000	0.000	0.000	0.000
581	D	108	ILE	0	-0.010	-0.003	12.239	3.973	3.973	0.000	0.000	0.000	0.000
582	D	109	LEU	0	-0.011	-0.011	13.006	3.373	3.373	0.000	0.000	0.000	0.000
583	D	110	THR	0	-0.008	0.001	7.381	2.098	2.098	0.000	0.000	0.000	0.000
584	D	111	TYR	0	-0.035	-0.019	7.984	10.840	10.840	0.000	0.000	0.000	0.000
585	D	112	ILE	0	-0.041	-0.022	9.938	3.337	3.337	0.000	0.000	0.000	0.000
586	D	113	ILE	0	-0.022	-0.013	11.201	-2.771	-2.771	0.000	0.000	0.000	0.000
587	D	114	GLY	0	0.044	0.026	7.278	0.609	0.609	0.000	0.000	0.000	0.000
590	D	117	LEU	0	-0.035	0.000	7.992	-3.978	-3.978	0.000	0.000	0.000	0.000
591	D	118	GLY	0	0.015	0.015	5.490	-7.129	-7.129	0.000	0.000	0.000	0.000
592	D	119	MET	0	-0.004	0.008	6.528	3.733	3.733	0.000	0.000	0.000	0.000
593	D	120	LYS	1	0.876	0.933	8.161	-118.068	-118.068	0.000	0.000	0.000	0.000
594	D	121	GLU	-1	-0.878	-0.943	10.303	78.539	78.539	0.000	0.000	0.000	0.000
595	D	122	ILE	0	-0.075	-0.011	11.850	-5.552	-5.552	0.000	0.000	0.000	0.000
596	D	123	GLN	0	-0.042	-0.040	13.221	1.762	1.762	0.000	0.000	0.000	0.000
597	D	124	ALA	0	0.019	-0.003	15.611	-2.422	-2.422	0.000	0.000	0.000	0.000
598	D	125	LEU	0	-0.004	-0.008	11.677	0.961	0.961	0.000	0.000	0.000	0.000
599	D	126	LYS	1	0.815	0.932	14.990	-56.096	-56.096	0.000	0.000	0.000	0.000
600	D	127	LEU	0	-0.006	0.002	15.964	-2.476	-2.476	0.000	0.000	0.000	0.000
601	D	128	MET	0	-0.006	-0.020	17.821	-1.040	-1.040	0.000	0.000	0.000	0.000
602	D	129	ASP	-1	-0.714	-0.886	21.311	43.090	43.090	0.000	0.000	0.000	0.000
603	D	130	ILE	0	-0.028	-0.024	18.852	2.549	2.549	0.000	0.000	0.000	0.000
604	D	131	TRP	0	0.039	0.030	22.197	-1.618	-1.618	0.000	0.000	0.000	0.000
605	D	132	PHE	0	0.020	-0.005	20.911	1.591	1.591	0.000	0.000	0.000	0.000
606	D	133	PRO	0	0.019	0.030	24.635	-1.846	-1.846	0.000	0.000	0.000	0.000
607	D	134	PRO	0	0.036	-0.004	27.695	0.698	0.698	0.000	0.000	0.000	0.000
608	D	135	SER	0	-0.024	-0.009	26.929	-0.771	-0.771	0.000	0.000	0.000	0.000
609	D	136	MET	0	-0.001	0.012	19.981	0.283	0.283	0.000	0.000	0.000	0.000
610	D	137	LEU	0	-0.010	-0.020	25.327	0.409	0.409	0.000	0.000	0.000	0.000
611	D	138	GLU	-1	-0.909	-0.953	27.458	36.821	36.821	0.000	0.000	0.000	0.000
612	D	139	GLN	0	-0.134	-0.053	23.939	0.553	0.553	0.000	0.000	0.000	0.000
613	D	140	TYR	0	-0.042	-0.028	19.010	1.723	1.723	0.000	0.000	0.000	0.000
614	D	141	ASP	-1	-0.849	-0.905	25.463	41.975	41.975	0.000	0.000	0.000	0.000
615	D	142	GLY	0	0.010	0.011	27.189	-1.522	-1.522	0.000	0.000	0.000	0.000
616	D	143	PRO	0	-0.028	-0.015	28.974	-0.140	-0.140	0.000	0.000	0.000	0.000
617	D	144	SER	0	-0.053	-0.033	31.237	-0.255	-0.255	0.000	0.000	0.000	0.000
618	D	145	TYR	0	0.025	0.034	33.866	-1.136	-1.136	0.000	0.000	0.000	0.000
619	D	146	THR	0	-0.032	-0.026	34.433	0.830	0.830	0.000	0.000	0.000	0.000
620	D	147	VAL	0	0.045	-0.003	36.464	-0.520	-0.520	0.000	0.000	0.000	0.000
621	D	148	ASP	-1	-0.835	-0.916	38.269	28.854	28.854	0.000	0.000	0.000	0.000
622	D	149	ASP	-1	-0.861	-0.924	38.983	29.502	29.502	0.000	0.000	0.000	0.000
623	D	150	MET	0	-0.037	-0.016	37.281	-0.678	-0.678	0.000	0.000	0.000	0.000
624	D	151	ARG	1	0.847	0.921	41.174	-28.832	-28.832	0.000	0.000	0.000	0.000
625	D	152	LYS	1	0.977	1.004	44.064	-26.929	-26.929	0.000	0.000	0.000	0.000
626	D	153	TYR	0	-0.110	-0.040	44.098	-0.518	-0.518	0.000	0.000	0.000	0.000
627	D	154	LEU	0	-0.060	-0.053	42.668	-0.442	-0.442	0.000	0.000	0.000	0.000
628	D	155	ASP	-1	-0.945	-0.955	46.744	23.053	23.053	0.000	0.000	0.000	0.000
629	D	156	VAL	0	-0.074	-0.029	45.098	-0.289	-0.289	0.000	0.000	0.000	0.000
630	D	157	TYR	0	0.058	0.018	45.902	0.956	0.956	0.000	0.000	0.000	0.000
631	D	158	ASP	-1	-0.949	-0.948	47.144	24.292	24.292	0.000	0.000	0.000	0.000
632	D	159	ARG	1	0.877	0.921	45.952	-25.778	-25.778	0.000	0.000	0.000	0.000
633	D	160	PRO	0	0.019	0.017	41.433	0.264	0.264	0.000	0.000	0.000	0.000
634	D	161	ILE	0	-0.001	0.011	40.381	-0.570	-0.570	0.000	0.000	0.000	0.000
635	D	162	LEU	0	-0.011	-0.012	40.870	0.676	0.676	0.000	0.000	0.000	0.000
636	D	163	GLY	0	0.044	0.002	39.599	-0.318	-0.318	0.000	0.000	0.000	0.000
637	D	164	THR	0	-0.043	-0.033	39.242	-0.023	-0.023	0.000	0.000	0.000	0.000
638	D	165	ILE	0	0.059	0.016	33.680	0.401	0.401	0.000	0.000	0.000	0.000
639	D	166	VAL	0	-0.035	-0.012	36.782	-0.667	-0.667	0.000	0.000	0.000	0.000
640	D	167	LYS	1	0.869	0.947	33.192	-33.183	-33.183	0.000	0.000	0.000	0.000
641	D	168	PRO	0	0.016	-0.018	37.392	-0.788	-0.788	0.000	0.000	0.000	0.000
642	D	169	LYS	1	0.901	0.978	28.585	-38.201	-38.201	0.000	0.000	0.000	0.000
643	D	170	MET	0	-0.052	-0.012	31.300	0.049	0.049	0.000	0.000	0.000	0.000
644	D	171	GLY	0	0.006	-0.017	34.188	-0.472	-0.472	0.000	0.000	0.000	0.000
645	D	172	LEU	0	-0.049	-0.001	37.266	-0.681	-0.681	0.000	0.000	0.000	0.000
646	D	173	THR	0	0.015	0.000	38.546	0.483	0.483	0.000	0.000	0.000	0.000
647	D	174	SER	0	0.076	0.008	39.871	-0.119	-0.119	0.000	0.000	0.000	0.000
648	D	175	ALA	0	-0.066	-0.029	41.053	-0.136	-0.136	0.000	0.000	0.000	0.000
649	D	176	GLU	-1	-0.880	-0.950	42.677	26.578	26.578	0.000	0.000	0.000	0.000
650	D	177	TYR	0	0.028	0.015	36.472	-0.279	-0.279	0.000	0.000	0.000	0.000
651	D	178	ALA	0	0.023	-0.007	41.264	0.054	0.054	0.000	0.000	0.000	0.000
652	D	179	GLU	-1	-0.934	-0.940	43.780	23.710	23.710	0.000	0.000	0.000	0.000
653	D	180	VAL	0	0.015	0.008	41.340	-0.216	-0.216	0.000	0.000	0.000	0.000
654	D	181	CYS	0	-0.080	-0.030	41.406	0.247	0.247	0.000	0.000	0.000	0.000
655	D	182	TYR	0	-0.028	-0.033	43.621	-0.314	-0.314	0.000	0.000	0.000	0.000
656	D	183	ASP	-1	-0.856	-0.943	46.928	24.052	24.052	0.000	0.000	0.000	0.000
657	D	184	PHE	0	-0.030	-0.001	42.921	-0.349	-0.349	0.000	0.000	0.000	0.000
658	D	185	TRP	0	-0.012	-0.015	41.837	-0.377	-0.377	0.000	0.000	0.000	0.000
659	D	186	VAL	0	-0.030	-0.013	47.300	-0.351	-0.351	0.000	0.000	0.000	0.000
660	D	187	GLY	0	-0.059	-0.022	49.776	-0.484	-0.484	0.000	0.000	0.000	0.000
661	D	188	GLY	0	-0.033	-0.024	50.048	-0.129	-0.129	0.000	0.000	0.000	0.000
662	D	189	GLY	0	0.030	0.022	45.639	0.180	0.180	0.000	0.000	0.000	0.000
663	D	190	ASP	-1	-0.777	-0.905	43.332	26.060	26.060	0.000	0.000	0.000	0.000
664	D	191	PHE	0	-0.016	-0.015	35.107	0.085	0.085	0.000	0.000	0.000	0.000
665	D	192	VAL	0	-0.012	-0.003	38.686	-0.093	-0.093	0.000	0.000	0.000	0.000
666	D	193	KCX	-1	-0.534	-0.834	30.722	37.065	37.065	0.000	0.000	0.000	0.000
667	D	194	ASN	0	-0.017	-0.031	32.371	-0.798	-0.798	0.000	0.000	0.000	0.000
668	D	195	ASP	0	0.227	0.053	32.131	0.627	0.627	0.000	0.000	0.000	0.000
669	D	196	GLU	0	0.125	-0.077	26.790	-0.312	-0.312	0.000	0.000	0.000	0.000
670	D	502	merge:D:AS	-1	-1.520	-0.826	25.949	37.564	37.564	0.000	0.000	0.000	0.000
671	D	197	PRO	0	-0.026	0.023	26.626	0.722	0.722	0.000	0.000	0.000	0.000
672	D	198	GLN	0	-0.045	-0.011	27.960	-0.616	-0.616	0.000	0.000	0.000	0.000
673	D	199	ALA	0	0.024	0.009	29.147	0.407	0.407	0.000	0.000	0.000	0.000
674	D	200	ASN	0	-0.020	0.011	30.897	-2.086	-2.086	0.000	0.000	0.000	0.000
675	D	201	GLN	0	0.062	0.028	29.560	-0.403	-0.403	0.000	0.000	0.000	0.000
676	D	202	ASP	-1	-0.814	-0.913	33.222	30.948	30.948	0.000	0.000	0.000	0.000
677	D	203	PHE	0	-0.014	-0.008	34.288	-0.918	-0.918	0.000	0.000	0.000	0.000
678	D	204	CYS	0	-0.060	-0.023	36.182	-1.103	-1.103	0.000	0.000	0.000	0.000
679	D	205	PRO	0	-0.025	-0.002	36.500	0.499	0.499	0.000	0.000	0.000	0.000
680	D	206	TYR	0	0.080	0.017	32.457	-0.936	-0.936	0.000	0.000	0.000	0.000
681	D	207	GLU	-1	-0.891	-0.957	36.441	28.341	28.341	0.000	0.000	0.000	0.000
682	D	208	LYS	1	0.872	0.936	39.308	-27.112	-27.112	0.000	0.000	0.000	0.000
683	D	209	MET	0	0.002	0.006	34.940	-0.736	-0.736	0.000	0.000	0.000	0.000
684	D	210	VAL	0	0.039	0.020	37.662	-0.530	-0.530	0.000	0.000	0.000	0.000
685	D	211	ALA	0	-0.016	-0.004	40.256	-0.497	-0.497	0.000	0.000	0.000	0.000
686	D	212	HIS	0	0.028	0.001	43.653	-0.735	-0.735	0.000	0.000	0.000	0.000
687	D	213	VAL	0	-0.003	0.000	40.112	-0.460	-0.460	0.000	0.000	0.000	0.000
688	D	214	LYS	1	0.901	0.972	43.419	-25.063	-25.063	0.000	0.000	0.000	0.000
689	D	215	GLU	-1	-0.970	-0.982	45.317	23.126	23.126	0.000	0.000	0.000	0.000
690	D	216	ALA	0	-0.013	-0.013	45.742	-0.468	-0.468	0.000	0.000	0.000	0.000
691	D	217	MET	0	-0.020	-0.005	42.738	-0.459	-0.459	0.000	0.000	0.000	0.000
692	D	218	ASP	-1	-0.863	-0.934	47.182	23.919	23.919	0.000	0.000	0.000	0.000
693	D	219	LYS	1	0.740	0.877	50.319	-22.664	-22.664	0.000	0.000	0.000	0.000
694	D	220	ALA	0	0.084	0.031	48.880	-0.439	-0.439	0.000	0.000	0.000	0.000
695	D	221	VAL	0	0.019	0.032	48.775	-0.245	-0.245	0.000	0.000	0.000	0.000
696	D	222	LYS	1	0.871	0.948	51.487	-22.082	-22.082	0.000	0.000	0.000	0.000
697	D	223	GLU	-1	-0.890	-0.941	54.476	21.398	21.398	0.000	0.000	0.000	0.000
698	D	224	THR	0	-0.045	-0.018	51.465	-0.255	-0.255	0.000	0.000	0.000	0.000
699	D	225	GLY	0	-0.023	-0.004	54.537	-0.205	-0.205	0.000	0.000	0.000	0.000
700	D	226	GLN	0	-0.056	-0.024	50.572	0.346	0.346	0.000	0.000	0.000	0.000
701	D	227	LYS	1	0.918	0.964	47.696	-23.950	-23.950	0.000	0.000	0.000	0.000
702	D	228	LYS	1	0.875	0.943	45.269	-24.697	-24.697	0.000	0.000	0.000	0.000
703	D	229	VAL	0	0.031	0.009	39.163	0.105	0.105	0.000	0.000	0.000	0.000
704	D	230	HIS	1	0.844	0.924	36.465	-30.953	-30.953	0.000	0.000	0.000	0.000
705	D	231	SER	0	-0.022	-0.010	33.225	0.378	0.378	0.000	0.000	0.000	0.000
706	D	232	PHE	0	-0.014	-0.029	34.107	-0.102	-0.102	0.000	0.000	0.000	0.000
707	D	233	ASN	0	0.003	-0.003	27.553	1.468	1.468	0.000	0.000	0.000	0.000
708	D	234	VAL	0	-0.001	-0.009	27.968	-0.523	-0.523	0.000	0.000	0.000	0.000
709	D	235	SER	0	0.003	0.010	24.131	1.198	1.198	0.000	0.000	0.000	0.000
710	D	236	ALA	0	-0.010	-0.012	24.520	-1.504	-1.504	0.000	0.000	0.000	0.000
711	D	237	ALA	0	-0.006	-0.003	22.744	1.497	1.497	0.000	0.000	0.000	0.000
712	D	238	ASP	-1	-0.847	-0.929	21.593	46.907	46.907	0.000	0.000	0.000	0.000
713	D	239	PHE	0	0.017	0.003	23.017	-1.596	-1.596	0.000	0.000	0.000	0.000
714	D	240	ASP	-1	-0.796	-0.878	24.717	41.005	41.005	0.000	0.000	0.000	0.000
715	D	241	THR	0	-0.003	-0.024	26.916	-1.716	-1.716	0.000	0.000	0.000	0.000
716	D	242	MET	0	-0.050	0.002	25.845	-0.611	-0.611	0.000	0.000	0.000	0.000
717	D	243	ILE	0	0.007	-0.005	28.176	-1.119	-1.119	0.000	0.000	0.000	0.000
718	D	244	GLU	-1	-0.925	-0.949	30.735	33.926	33.926	0.000	0.000	0.000	0.000
719	D	245	ARG	1	0.829	0.911	28.344	-39.531	-39.531	0.000	0.000	0.000	0.000
720	D	246	CYS	0	-0.004	0.009	31.290	-0.582	-0.582	0.000	0.000	0.000	0.000
721	D	247	GLU	-1	-0.848	-0.914	33.703	31.332	31.332	0.000	0.000	0.000	0.000
722	D	248	MET	0	-0.019	0.002	35.385	-1.230	-1.230	0.000	0.000	0.000	0.000
723	D	249	ILE	0	-0.047	-0.016	34.810	-0.943	-0.943	0.000	0.000	0.000	0.000
724	D	250	THR	0	-0.043	-0.034	36.759	-0.794	-0.794	0.000	0.000	0.000	0.000
725	D	251	ASN	0	-0.096	-0.033	39.459	-1.230	-1.230	0.000	0.000	0.000	0.000
726	D	252	ALA	0	0.009	0.020	41.692	-0.583	-0.583	0.000	0.000	0.000	0.000
727	D	253	GLY	0	-0.070	-0.033	43.574	-0.427	-0.427	0.000	0.000	0.000	0.000
728	D	254	PHE	0	-0.017	-0.024	41.235	-0.618	-0.618	0.000	0.000	0.000	0.000
729	D	255	GLU	-1	-0.828	-0.917	44.888	24.650	24.650	0.000	0.000	0.000	0.000
730	D	256	PRO	0	0.013	-0.002	43.229	0.440	0.440	0.000	0.000	0.000	0.000
731	D	257	GLY	0	0.045	0.032	41.709	-0.483	-0.483	0.000	0.000	0.000	0.000
732	D	258	SER	0	-0.036	-0.029	41.666	0.415	0.415	0.000	0.000	0.000	0.000
733	D	259	TYR	0	-0.017	-0.022	37.014	-0.317	-0.317	0.000	0.000	0.000	0.000
734	D	260	ALA	0	0.010	0.011	34.506	0.095	0.095	0.000	0.000	0.000	0.000
735	D	261	PHE	0	0.010	-0.001	30.811	-0.222	-0.222	0.000	0.000	0.000	0.000
736	D	262	LEU	0	-0.009	0.009	27.609	0.471	0.471	0.000	0.000	0.000	0.000
737	D	263	ILE	0	0.016	0.006	23.359	0.141	0.141	0.000	0.000	0.000	0.000
738	D	264	ASP	-1	-0.792	-0.927	21.995	44.883	44.883	0.000	0.000	0.000	0.000
739	D	265	GLY	0	0.002	-0.002	21.062	1.848	1.848	0.000	0.000	0.000	0.000
740	D	266	ILE	0	-0.066	-0.023	15.853	2.091	2.091	0.000	0.000	0.000	0.000
741	D	267	THR	0	-0.001	-0.002	16.270	2.908	2.908	0.000	0.000	0.000	0.000
742	D	268	ALA	0	0.027	-0.013	17.371	1.726	1.726	0.000	0.000	0.000	0.000
743	D	269	GLY	0	0.012	0.008	17.054	1.642	1.642	0.000	0.000	0.000	0.000
744	D	270	TRP	0	0.005	-0.006	16.153	-4.206	-4.206	0.000	0.000	0.000	0.000
745	D	271	MET	0	0.004	0.026	16.480	-0.516	-0.516	0.000	0.000	0.000	0.000
746	D	272	ALA	0	0.028	0.034	19.338	-2.588	-2.588	0.000	0.000	0.000	0.000
747	D	273	VAL	0	-0.030	-0.014	21.893	-2.204	-2.204	0.000	0.000	0.000	0.000
748	D	274	GLN	0	0.013	-0.017	19.907	0.360	0.360	0.000	0.000	0.000	0.000
749	D	275	THR	0	0.013	-0.006	22.637	-1.396	-1.396	0.000	0.000	0.000	0.000
750	D	276	LEU	0	-0.012	-0.012	25.066	-1.695	-1.695	0.000	0.000	0.000	0.000
751	D	277	ARG	1	0.853	0.952	26.652	-39.952	-39.952	0.000	0.000	0.000	0.000
752	D	278	ARG	1	0.804	0.875	23.034	-47.320	-47.320	0.000	0.000	0.000	0.000
753	D	279	ARG	1	0.836	0.935	27.881	-39.972	-39.972	0.000	0.000	0.000	0.000
754	D	280	TYR	0	-0.085	-0.068	30.612	-0.730	-0.730	0.000	0.000	0.000	0.000
755	D	281	PRO	0	-0.004	0.019	32.633	0.228	0.228	0.000	0.000	0.000	0.000
756	D	282	ASP	-1	-0.898	-0.954	33.494	31.313	31.313	0.000	0.000	0.000	0.000
757	D	283	VAL	0	-0.048	-0.017	34.455	-0.919	-0.919	0.000	0.000	0.000	0.000
758	D	284	PHE	0	0.001	-0.001	33.100	0.827	0.827	0.000	0.000	0.000	0.000
759	D	285	LEU	0	-0.010	-0.005	26.785	0.093	0.093	0.000	0.000	0.000	0.000
760	D	286	HIS	0	0.008	-0.013	29.320	-0.372	-0.372	0.000	0.000	0.000	0.000
761	D	287	PHE	0	0.013	-0.007	20.877	0.750	0.750	0.000	0.000	0.000	0.000
762	D	288	HIS	0	0.122	0.072	25.385	-1.362	-1.362	0.000	0.000	0.000	0.000
763	D	289	ARG	1	0.792	0.880	22.376	-41.583	-41.583	0.000	0.000	0.000	0.000
764	D	290	ALA	0	-0.007	-0.001	21.723	1.391	1.391	0.000	0.000	0.000	0.000
765	D	291	ALA	0	0.060	0.030	17.511	1.386	1.386	0.000	0.000	0.000	0.000
766	D	292	HIS	0	0.024	0.025	17.738	4.326	4.326	0.000	0.000	0.000	0.000
767	D	293	GLY	0	0.009	0.018	18.995	1.205	1.205	0.000	0.000	0.000	0.000
768	D	294	ALA	0	0.023	0.008	14.952	-0.101	-0.101	0.000	0.000	0.000	0.000
769	D	295	PHE	0	-0.016	0.005	12.229	1.895	1.895	0.000	0.000	0.000	0.000
770	D	296	THR	0	-0.015	-0.043	16.666	-0.213	-0.213	0.000	0.000	0.000	0.000
771	D	297	ARG	1	0.801	0.934	20.303	-47.275	-47.275	0.000	0.000	0.000	0.000
772	D	298	GLN	0	0.017	0.002	21.079	1.201	1.201	0.000	0.000	0.000	0.000
773	D	299	GLU	-1	-0.802	-0.909	22.610	45.700	45.700	0.000	0.000	0.000	0.000
774	D	300	ASN	0	-0.047	-0.019	17.144	-0.343	-0.343	0.000	0.000	0.000	0.000
775	D	301	PRO	0	0.039	0.016	16.845	0.101	0.101	0.000	0.000	0.000	0.000
776	D	302	ILE	0	-0.034	-0.003	11.483	0.830	0.830	0.000	0.000	0.000	0.000
777	D	303	GLY	0	0.022	0.008	14.389	-0.986	-0.986	0.000	0.000	0.000	0.000
778	D	304	PHE	0	-0.018	-0.014	14.987	0.927	0.927	0.000	0.000	0.000	0.000
779	D	305	SER	0	0.038	0.022	17.721	-1.562	-1.562	0.000	0.000	0.000	0.000
780	D	306	VAL	0	0.069	0.016	21.400	0.969	0.969	0.000	0.000	0.000	0.000
781	D	307	LEU	0	0.011	0.025	23.932	-0.777	-0.777	0.000	0.000	0.000	0.000
782	D	308	VAL	0	0.007	0.006	18.147	-0.539	-0.539	0.000	0.000	0.000	0.000
783	D	309	LEU	0	-0.011	0.000	19.756	0.233	0.233	0.000	0.000	0.000	0.000
784	D	310	SER	0	0.011	-0.016	21.310	-0.765	-0.765	0.000	0.000	0.000	0.000
785	D	311	LYS	1	0.800	0.898	23.429	-45.883	-45.883	0.000	0.000	0.000	0.000
786	D	312	PHE	0	0.039	0.005	18.192	-0.441	-0.441	0.000	0.000	0.000	0.000
787	D	313	ALA	0	0.011	0.012	21.868	-0.102	-0.102	0.000	0.000	0.000	0.000
788	D	314	ARG	1	0.782	0.899	23.962	-38.261	-38.261	0.000	0.000	0.000	0.000
789	D	315	LEU	0	0.001	-0.012	21.327	-1.014	-1.014	0.000	0.000	0.000	0.000
790	D	316	ALA	0	-0.026	-0.025	22.037	-0.319	-0.319	0.000	0.000	0.000	0.000
791	D	317	GLY	0	0.003	0.011	23.892	-0.415	-0.415	0.000	0.000	0.000	0.000
792	D	318	ALA	0	-0.028	-0.016	26.326	-1.097	-1.097	0.000	0.000	0.000	0.000
793	D	319	SER	0	0.018	-0.005	28.122	-0.246	-0.246	0.000	0.000	0.000	0.000
794	D	320	GLY	0	0.008	-0.006	30.394	-1.194	-1.194	0.000	0.000	0.000	0.000
795	D	321	ILE	0	-0.042	-0.001	24.086	1.096	1.096	0.000	0.000	0.000	0.000
796	D	322	HIS	0	0.045	0.034	27.288	-1.502	-1.502	0.000	0.000	0.000	0.000
797	D	323	THR	0	-0.003	-0.015	27.158	1.217	1.217	0.000	0.000	0.000	0.000
798	D	324	GLY	0	0.030	0.027	29.134	0.694	0.694	0.000	0.000	0.000	0.000
799	D	325	THR	0	-0.012	-0.004	30.585	-0.930	-0.930	0.000	0.000	0.000	0.000
800	D	326	ALA	0	0.028	0.006	32.406	-1.022	-1.022	0.000	0.000	0.000	0.000
801	D	327	GLY	0	0.007	0.016	32.669	-0.668	-0.668	0.000	0.000	0.000	0.000
802	D	328	ILE	0	-0.048	-0.016	33.778	-0.623	-0.623	0.000	0.000	0.000	0.000
803	D	329	GLY	0	0.013	0.005	34.771	-0.870	-0.870	0.000	0.000	0.000	0.000
804	D	330	LYS	1	0.779	0.868	31.357	-35.211	-35.211	0.000	0.000	0.000	0.000
805	D	331	MET	0	-0.011	0.011	27.947	0.695	0.695	0.000	0.000	0.000	0.000
806	D	332	LYS	1	0.872	0.940	26.849	-42.144	-42.144	0.000	0.000	0.000	0.000
807	D	333	GLY	0	0.055	0.036	28.079	1.016	1.016	0.000	0.000	0.000	0.000
808	D	334	THR	0	-0.057	-0.036	29.791	-1.491	-1.491	0.000	0.000	0.000	0.000
809	D	335	PRO	0	0.042	0.006	32.014	0.741	0.741	0.000	0.000	0.000	0.000
810	D	336	ALA	0	-0.010	-0.002	31.867	0.088	0.088	0.000	0.000	0.000	0.000
811	D	337	GLU	-1	-0.919	-0.955	26.841	43.503	43.503	0.000	0.000	0.000	0.000
812	D	338	ASP	-1	-0.781	-0.921	29.075	39.936	39.936	0.000	0.000	0.000	0.000
813	D	339	VAL	0	-0.006	0.003	30.542	-0.070	-0.070	0.000	0.000	0.000	0.000
814	D	340	VAL	0	-0.037	0.001	29.165	-0.355	-0.355	0.000	0.000	0.000	0.000
815	D	341	ALA	0	-0.026	-0.012	27.615	0.192	0.192	0.000	0.000	0.000	0.000
816	D	342	ALA	0	0.010	0.005	29.126	0.080	0.080	0.000	0.000	0.000	0.000
817	D	343	HIS	1	0.901	0.945	32.128	-33.290	-33.290	0.000	0.000	0.000	0.000
818	D	344	SER	0	-0.005	0.005	28.697	-0.200	-0.200	0.000	0.000	0.000	0.000
819	D	345	ILE	0	-0.026	-0.019	28.105	0.275	0.275	0.000	0.000	0.000	0.000
820	D	346	GLN	0	0.024	0.001	30.859	-0.078	-0.078	0.000	0.000	0.000	0.000
821	D	347	TYR	0	0.000	0.021	34.621	-0.605	-0.605	0.000	0.000	0.000	0.000
822	D	348	LEU	0	-0.031	-0.004	34.125	1.269	1.269	0.000	0.000	0.000	0.000
823	D	349	LYS	1	0.925	0.964	34.510	-31.465	-31.465	0.000	0.000	0.000	0.000
824	D	350	SER	0	-0.020	-0.008	32.126	-0.702	-0.702	0.000	0.000	0.000	0.000
825	D	351	PRO	0	-0.013	-0.002	32.883	0.551	0.551	0.000	0.000	0.000	0.000
826	D	352	GLY	0	0.030	0.043	29.753	0.249	0.249	0.000	0.000	0.000	0.000
827	D	353	HIS	0	-0.043	-0.051	26.261	0.606	0.606	0.000	0.000	0.000	0.000
828	D	354	PHE	0	-0.068	-0.049	25.471	-0.703	-0.703	0.000	0.000	0.000	0.000
829	D	355	PHE	0	-0.074	-0.025	22.926	-0.226	-0.226	0.000	0.000	0.000	0.000
830	D	356	GLU	-1	-0.873	-0.933	28.486	34.069	34.069	0.000	0.000	0.000	0.000
831	D	357	GLN	0	-0.017	0.005	27.246	2.252	2.252	0.000	0.000	0.000	0.000
832	D	358	THR	0	0.059	0.019	30.766	-1.153	-1.153	0.000	0.000	0.000	0.000
833	D	359	TRP	0	-0.055	-0.039	26.069	1.546	1.546	0.000	0.000	0.000	0.000
834	D	360	SER	0	0.076	0.030	32.094	-0.477	-0.477	0.000	0.000	0.000	0.000
835	D	361	LYS	1	0.841	0.943	31.335	-34.877	-34.877	0.000	0.000	0.000	0.000
836	D	362	ILE	0	-0.020	-0.008	32.897	-0.184	-0.184	0.000	0.000	0.000	0.000
837	D	363	MET	0	-0.006	-0.015	35.363	0.727	0.727	0.000	0.000	0.000	0.000
838	D	364	ASP	-1	-0.862	-0.932	34.861	33.441	33.441	0.000	0.000	0.000	0.000
839	D	365	THR	0	0.001	-0.007	37.764	-0.568	-0.568	0.000	0.000	0.000	0.000
840	D	366	ASP	-1	-0.953	-0.960	40.597	27.597	27.597	0.000	0.000	0.000	0.000
841	D	367	LYS	1	0.935	0.939	42.559	-25.195	-25.195	0.000	0.000	0.000	0.000
842	D	368	ASP	-1	-0.906	-0.958	43.651	26.477	26.477	0.000	0.000	0.000	0.000
843	D	369	VAL	0	0.001	0.015	37.974	0.110	0.110	0.000	0.000	0.000	0.000
844	D	370	ILE	0	-0.032	-0.017	41.203	-0.001	-0.001	0.000	0.000	0.000	0.000
845	D	371	ASN	0	-0.050	-0.034	43.253	-0.198	-0.198	0.000	0.000	0.000	0.000
846	D	372	LEU	0	0.068	0.046	39.683	-0.067	-0.067	0.000	0.000	0.000	0.000
847	D	373	VAL	0	0.019	0.008	39.441	0.193	0.193	0.000	0.000	0.000	0.000
848	D	374	ASN	0	-0.064	-0.032	41.432	0.062	0.062	0.000	0.000	0.000	0.000
849	D	375	GLU	-1	-0.953	-0.977	44.745	26.026	26.026	0.000	0.000	0.000	0.000
850	D	376	ASP	-1	-0.832	-0.920	39.028	30.837	30.837	0.000	0.000	0.000	0.000
851	D	377	LEU	0	-0.060	-0.036	40.040	0.077	0.077	0.000	0.000	0.000	0.000
852	D	378	ALA	0	-0.049	-0.025	42.964	-0.172	-0.172	0.000	0.000	0.000	0.000
853	D	379	HIS	0	-0.051	-0.033	41.770	-0.580	-0.580	0.000	0.000	0.000	0.000
854	D	380	HIS	0	-0.071	-0.018	45.499	-0.313	-0.313	0.000	0.000	0.000	0.000
855	D	381	VAL	0	0.020	0.023	42.618	0.577	0.577	0.000	0.000	0.000	0.000
856	D	382	ILE	0	-0.002	0.011	39.032	-0.330	-0.330	0.000	0.000	0.000	0.000
857	D	383	LEU	0	-0.053	-0.031	36.647	0.651	0.651	0.000	0.000	0.000	0.000
858	D	384	GLU	-1	-0.957	-0.975	40.488	26.963	26.963	0.000	0.000	0.000	0.000
859	D	385	ASP	-1	-0.972	-0.990	43.087	26.472	26.472	0.000	0.000	0.000	0.000
860	D	386	ASP	-1	-0.813	-0.915	42.091	28.416	28.416	0.000	0.000	0.000	0.000
861	D	387	SER	0	0.025	0.000	37.044	0.670	0.670	0.000	0.000	0.000	0.000
862	D	388	TRP	0	-0.040	-0.021	36.333	0.915	0.915	0.000	0.000	0.000	0.000
863	D	389	ARG	1	0.880	0.943	35.989	-27.469	-27.469	0.000	0.000	0.000	0.000
864	D	390	ALA	0	0.020	-0.006	34.472	0.545	0.545	0.000	0.000	0.000	0.000
865	D	391	MET	0	-0.029	0.030	27.324	0.001	0.001	0.000	0.000	0.000	0.000
866	D	392	LYS	1	0.988	1.004	32.555	-32.085	-32.085	0.000	0.000	0.000	0.000
867	D	393	LYS	1	0.917	0.976	32.502	-29.525	-29.525	0.000	0.000	0.000	0.000
868	D	394	CYS	0	-0.038	-0.005	28.067	-0.011	-0.011	0.000	0.000	0.000	0.000
869	D	395	CYS	0	-0.030	-0.023	31.722	-0.464	-0.464	0.000	0.000	0.000	0.000
870	D	396	PRO	0	-0.008	0.009	31.832	0.813	0.813	0.000	0.000	0.000	0.000
871	D	397	ILE	0	-0.010	0.004	31.017	-1.177	-1.177	0.000	0.000	0.000	0.000
872	D	398	VAL	0	-0.012	-0.017	31.914	0.978	0.978	0.000	0.000	0.000	0.000
873	D	399	SER	0	0.046	0.015	31.762	-1.380	-1.380	0.000	0.000	0.000	0.000
874	D	400	GLY	0	0.077	0.044	32.214	0.808	0.808	0.000	0.000	0.000	0.000
875	D	401	GLY	0	-0.011	-0.001	33.059	-0.134	-0.134	0.000	0.000	0.000	0.000
876	D	402	LEU	0	-0.013	-0.011	36.017	-0.654	-0.654	0.000	0.000	0.000	0.000
877	D	403	ASN	0	0.072	0.008	38.645	-0.538	-0.538	0.000	0.000	0.000	0.000
878	D	404	PRO	0	0.020	-0.006	42.324	0.188	0.188	0.000	0.000	0.000	0.000
879	D	405	VAL	0	-0.006	0.005	45.258	-0.174	-0.174	0.000	0.000	0.000	0.000
880	D	406	LYS	1	0.842	0.933	38.485	-30.173	-30.173	0.000	0.000	0.000	0.000
881	D	407	LEU	0	0.017	0.027	41.665	0.545	0.545	0.000	0.000	0.000	0.000
882	D	408	LYS	1	0.951	0.983	42.986	-24.502	-24.502	0.000	0.000	0.000	0.000
883	D	409	PRO	0	0.017	0.000	42.139	0.250	0.250	0.000	0.000	0.000	0.000
884	D	410	PHE	0	0.032	0.026	35.340	0.379	0.379	0.000	0.000	0.000	0.000
885	D	411	ILE	0	-0.007	-0.001	40.265	0.356	0.356	0.000	0.000	0.000	0.000
886	D	412	ASP	-1	-0.925	-0.969	42.432	26.467	26.467	0.000	0.000	0.000	0.000
887	D	413	VAL	0	-0.033	-0.019	37.335	0.193	0.193	0.000	0.000	0.000	0.000
888	D	414	MET	0	-0.060	-0.020	35.017	0.849	0.849	0.000	0.000	0.000	0.000
889	D	415	GLU	-1	-0.964	-0.984	39.040	30.588	30.588	0.000	0.000	0.000	0.000
890	D	416	ASN	0	-0.038	-0.025	38.168	-0.147	-0.147	0.000	0.000	0.000	0.000
891	D	417	VAL	0	0.039	0.003	41.977	0.149	0.149	0.000	0.000	0.000	0.000
892	D	418	ASP	-1	-0.875	-0.930	38.702	30.359	30.359	0.000	0.000	0.000	0.000
893	D	419	PHE	0	-0.019	-0.020	36.672	0.891	0.891	0.000	0.000	0.000	0.000
894	D	420	ILE	0	0.029	0.028	35.723	-0.864	-0.864	0.000	0.000	0.000	0.000
895	D	421	THR	0	-0.049	-0.012	36.435	0.585	0.585	0.000	0.000	0.000	0.000
896	D	422	THR	0	-0.001	-0.017	34.902	-0.332	-0.332	0.000	0.000	0.000	0.000
897	D	423	MET	0	-0.035	-0.001	36.647	0.206	0.206	0.000	0.000	0.000	0.000
898	D	424	GLY	0	0.083	0.044	37.024	-0.612	-0.612	0.000	0.000	0.000	0.000
899	D	425	SER	0	-0.018	-0.023	37.579	-1.084	-1.084	0.000	0.000	0.000	0.000
900	D	426	GLY	0	-0.036	0.002	39.489	-0.819	-0.819	0.000	0.000	0.000	0.000
901	D	427	VAL	0	-0.008	-0.001	41.518	-0.672	-0.672	0.000	0.000	0.000	0.000
902	D	428	HIS	0	0.056	0.016	39.848	-1.284	-1.284	0.000	0.000	0.000	0.000
903	D	429	SER	0	-0.023	-0.021	42.419	-0.535	-0.535	0.000	0.000	0.000	0.000
904	D	430	HIS	0	-0.037	0.023	44.368	-0.357	-0.357	0.000	0.000	0.000	0.000
905	D	431	PRO	0	0.006	-0.008	47.468	-0.105	-0.105	0.000	0.000	0.000	0.000
906	D	432	GLY	0	-0.053	-0.030	50.543	-0.360	-0.360	0.000	0.000	0.000	0.000
907	D	433	GLY	0	0.016	0.009	48.839	-0.291	-0.291	0.000	0.000	0.000	0.000
908	D	434	THR	0	0.008	-0.012	44.642	-0.021	-0.021	0.000	0.000	0.000	0.000
909	D	435	GLN	0	-0.027	-0.012	47.016	-0.142	-0.142	0.000	0.000	0.000	0.000
910	D	436	SER	0	-0.013	-0.009	49.922	-0.163	-0.163	0.000	0.000	0.000	0.000
911	D	437	GLY	0	0.051	0.028	46.665	-0.088	-0.088	0.000	0.000	0.000	0.000
912	D	438	ALA	0	-0.009	0.006	46.490	0.331	0.331	0.000	0.000	0.000	0.000
913	D	439	LYS	1	0.963	0.990	47.437	-22.021	-22.021	0.000	0.000	0.000	0.000
914	D	440	ALA	0	-0.053	-0.025	48.473	-0.093	-0.093	0.000	0.000	0.000	0.000
915	D	441	LEU	0	0.021	-0.007	42.650	-0.033	-0.033	0.000	0.000	0.000	0.000
916	D	442	VAL	0	0.025	0.024	47.033	0.162	0.162	0.000	0.000	0.000	0.000
917	D	443	GLN	0	-0.019	-0.025	49.372	-0.143	-0.143	0.000	0.000	0.000	0.000
918	D	444	ALA	0	0.001	0.001	47.747	-0.191	-0.191	0.000	0.000	0.000	0.000
919	D	445	CYS	0	-0.022	-0.001	47.037	0.241	0.241	0.000	0.000	0.000	0.000
920	D	446	ASP	-1	-0.906	-0.970	48.631	22.996	22.996	0.000	0.000	0.000	0.000
921	D	447	ALA	0	-0.046	-0.017	51.780	-0.356	-0.356	0.000	0.000	0.000	0.000
922	D	448	TYR	0	0.006	-0.001	46.961	-0.262	-0.262	0.000	0.000	0.000	0.000
923	D	449	LEU	0	-0.011	-0.016	48.733	-0.061	-0.061	0.000	0.000	0.000	0.000
924	D	450	GLN	0	-0.072	-0.024	52.013	-0.665	-0.665	0.000	0.000	0.000	0.000
925	D	451	GLY	0	-0.048	-0.019	53.872	-0.384	-0.384	0.000	0.000	0.000	0.000
926	D	452	MET	0	-0.054	-0.018	54.510	-0.372	-0.372	0.000	0.000	0.000	0.000
927	D	453	ASP	-1	-0.918	-0.947	53.336	23.008	23.008	0.000	0.000	0.000	0.000
928	D	454	ILE	0	0.034	-0.003	49.116	-0.255	-0.255	0.000	0.000	0.000	0.000
929	D	455	GLU	-1	-0.888	-0.959	53.087	22.755	22.755	0.000	0.000	0.000	0.000
930	D	456	GLU	-1	-0.920	-0.941	55.749	19.679	19.679	0.000	0.000	0.000	0.000
931	D	457	TYR	0	0.059	0.008	54.938	-0.424	-0.424	0.000	0.000	0.000	0.000
932	D	458	ALA	0	-0.026	-0.012	55.063	-0.212	-0.212	0.000	0.000	0.000	0.000
933	D	459	LYS	1	0.782	0.891	56.959	-20.124	-20.124	0.000	0.000	0.000	0.000
934	D	460	ASP	-1	-0.946	-0.964	60.277	19.724	19.724	0.000	0.000	0.000	0.000
935	D	461	HIS	1	0.831	0.917	56.059	-21.055	-21.055	0.000	0.000	0.000	0.000
936	D	462	LYS	1	0.960	0.988	56.447	-20.592	-20.592	0.000	0.000	0.000	0.000
937	D	463	GLU	-1	-0.816	-0.899	52.271	21.832	21.832	0.000	0.000	0.000	0.000
938	D	464	LEU	0	0.060	0.036	50.569	0.396	0.396	0.000	0.000	0.000	0.000
939	D	465	ALA	0	-0.028	-0.012	52.372	0.199	0.199	0.000	0.000	0.000	0.000
940	D	466	GLU	-1	-0.960	-1.003	53.232	21.905	21.905	0.000	0.000	0.000	0.000
941	D	467	ALA	0	-0.005	0.008	48.505	0.311	0.311	0.000	0.000	0.000	0.000
942	D	468	ILE	0	0.004	-0.004	49.156	0.397	0.397	0.000	0.000	0.000	0.000
943	D	469	GLU	-1	-0.929	-0.961	50.664	22.254	22.254	0.000	0.000	0.000	0.000
944	D	470	PHE	0	-0.059	-0.034	45.260	0.084	0.084	0.000	0.000	0.000	0.000
945	D	471	TYR	0	-0.045	-0.042	43.673	0.213	0.213	0.000	0.000	0.000	0.000
946	D	472	LEU	0	-0.051	-0.003	45.556	0.557	0.557	0.000	0.000	0.000	0.000
947	D	473	ASN	0	-0.078	-0.023	47.877	0.400	0.400	0.000	0.000	0.000	0.000
949	D	501	CAP	-4	-3.361	-3.821	26.960	146.267	146.267	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #948(C:501:CAP)