Project name: DbD2Pr-KP-T2

Chain sequence(s)	A: TGPIICAGPIHSNKSANIPHLLGYSEKICQIDRLIHVSSWLRNHSQFQGYVGQRGGRSQVSYYPAENSYSRWSGLLSPCDADWLGMLVVKKAKGSDMIVPGPSYKGKVFFERPTFDGYVGWGCGSGKSRTESGELCSSDSGTSSGLLPSDRVLWIGDVACQPMTPIPEETFLELKSFSQSEFPDICKIDGIVFNQCESESLPQPFDVAWMDVGHSHKIIMREHKTKWVQESSSKDFVCYKEGTGPCSESEEKTCKTSGSCRGDMQFCKVAGCEHGEEASGAKCRCSLVHKPGEVVVSYGGMRVRPKCYGFSRMMATLEVNPPEQRIGQCTGCHLECINGGVRLITLTSELKSATVCASHFCSSATSGKKSTEIQFHSGSLVGKTAIHVKGALVDGTEFTFEGSCMFPDGCDAVDCTFCREFLKNPQCYPAKKWLFIIIVILLGYAGLMLLTNVLKAIGGSWVIAPVKLMFAIIKKLMRSVSCLMGKLMDRGRQVIHEEIEGCDEMVHADSKLVSCKQGSGNMKECVTTGRALLPAVNPGQEACLHFTAPGSPDSKCLKIKVKRINLKCKKSSSYFVPDARSRCTCVRRCRWAGDCQSGCPSHFTSNSFSDDWAGKMDRAGLGFSGCSDGCGGAACGCFNAAPSCIFWRKWVENPHGIIWKVSPCAAWVPSAVIELTMPSGEVRTFHPMSGIPTQVFKGVSVTYLGSDMEVSGLTDLCEIEELKSKKLALAPCNQAGMGVVGKVGEIQCSSEESARTIKKDGCIWNADLVGIELRVDDCVCYSKITSVEAVANYSAIPTTIGGLRFERSHDSQGKISGSPLDITAIRGSFSVNYRGLRLSLSEVTATCTGEVTNVSGCCSCMTGAKVSIKLHSSKNSTAHVRCKGDETAFSVLEGVHSYTVSLSFDHAVVDEQCQLNCGGHESQVTLKGNLICLDVPKFVDGSYMQTYHSSVPTGANIPSPTDWLNALFGNGLSRWILGVIGVLLGGLALFFLIMSLFKLGTKQVFRSR; C: TGPIICAGPIHSNKSANIPHLLGYSEKICQIDRLIHVSSWLRNHSQFQGYVGQRGGRSQVSYYPAENSYSRWSGLLSPCDADWLGMLVVKKAKGSDMIVPGPSYKGKVFFERPTFDGYVGWGCGSGKSRTESGELCSSDSGTSSGLLPSDRVLWIGDVACQPMTPIPEETFLELKSFSQSEFPDICKIDGIVFNQCESESLPQPFDVAWMDVGHSHKIIMREHKTKWVQESSSKDFVCYKEGTGPCSESEEKTCKTSGSCRGDMQFCKVAGCEHGEEASGAKCRCSLVHKPGEVVVSYGGMRVRPKCYGFSRMMATLEVNPPEQRIGQCTGCHLECINGGVRLITLTSELKSATVCASHFCSSATSGKKSTEIQFHSGSLVGKTAIHVKGALVDGTEFTFEGSCMFPDGCDAVDCTFCREFLKNPQCYPAKKWLFIIIVILLGYAGLMLLTNVWGSWVIAPVKLMFAIIKKLMRSVSCLMGKLMDRGRQVIHEEIEGCDEMVHADSKLVSCKQGSGNMKECVTTGRALLPAVNPGQEACLHFTAPGSPDSKCLKIKVKRINLKCKKSSSYFVPDARSRCTCVRRCRWAGDCQSGCPSHFTSNSFSDDWAGKMDRAGLGFSGCSDGCGGAACGCFNAAPSCIFWRKWVENPHGIIWKVSPCAAWVPSAVIELTMPSGEVRTFHPMSGIPTQVFKGVSVTYLGSDMEVSGLTDLCEIEELKSKKLALAPCNQAGMGVVGKVGEIQCSSEESARTIKKDGCIWNADLVGIELRVDDCVCYSKITSVEAVANYSAIPTTIGGLRFERSHDSQGKISGSPLDITAIRGSFSVNYRGLRLSLSEVTATCTGEVTNVSGCCSCMTGAKVSIKLHSSKNSTAHVRCKGDETAFSVLEGVHSYTVSLSFDHAVVDEQCQLNCGGHESQVTLKGNLICLDVPKFVDGSYMQTYHSSVPTGANIPSPTDWLNALFRWILGVIGVLLGGLALFFLIMSLFKLGTKQVFRSR; E: TGPIICAGPIHSNKSANIPHLLGYSEKICQIDRLIHVSSWLRNHSQFQGYVGQRGGRSQVSYYPAENSYSRWSGLLSPCDADWLGMLVVKKAKGSDMIVPGPSYKGKVFFERPTFDGYVGWGCGSGKSRTESGELCSSDSGTSSGLLPSDRVLWIGDVACQPMTPIPEETFLELKSFSQSEFPDICKIDGIVFNQCESESLPQPFDVAWMDVGHSHKIIMREHKTKWVQESSSKDFVCYKEGTGPCSESEEKTCKTSGSCRGDMQFCKVAGCEHGEEASGAKCRCSLVHKPGEVVVSYGGMRVRPKCYGFSRMMATLEVNPPEQRIGQCTGCHLECINGGVRLITLTSELKSATVCASHFCSSATSGKKSTEIQFHSGSLVGKTAIHVKGALVDGTEFTFEGSCMFPDGCDAVDCTFCREFLKNPQCYPAKKWLFIIIVILLGYAGLMLLTNVLKAWGSWVIAPVKLMFAIIKKLMRSVSCLMGKLMDRGRQVIHEEIEGCDEMVHADSKLVSCKQGSGNMKECVTTGRALLPAVNPGQEACLHFTAPGSPDSKCLKIKVKRINLKCKKSSSYFVPDARSRCTCVRRCRWAGDCQSGCPSHFTSNSFSDDWAGKMDRAGLGFSGCSDGCGGAACGCFNAAPSCIFWRKWVENPHGIIWKVSPCAAWVPSAVIELTMPSGEVRTFHPMSGIPTQVFKGVSVTYLGSDMEVSGLTDLCEIEELKSKKLALAPCNQAGMGVVGKVGEIQCSSEESARTIKKDGCIWNADLVGIELRVDDCVCYSKITSVEAVANYSAIPTTIGGLRFERSHDSQGKISGSPLDITAIRGSFSVNYRGLRLSLSEVTATCTGEVTNVSGCCSCMTGAKVSIKLHSSKNSTAHVRCKGDETAFSVLEGVHSYTVSLSFDHAVVDEQCQLNCGGHESQVTLKGNLICLDVPKFVDGSYMQTYHSSVPTGANIPSPTDWLNALFGNGLSRWILGVIGVLLGGLALFFLIMSLFKLGTKQVFRSR; G: TGPIICAGPIHSNKSANIPHLLGYSEKICQIDRLIHVSSWLRNHSQFQGYVGQRGGRSQVSYYPAENSYSRWSGLLSPCDADWLGMLVVKKAKGSDMIVPGPSYKGKVFFERPTFDGYVGWGCGSGKSRTESGELCSSDSGTSSGLLPSDRVLWIGDVACQPMTPIPEETFLELKSFSQSEFPDICKIDGIVFNQCESESLPQPFDVAWMDVGHSHKIIMREHKTKWVQESSSKDFVCYKEGTGPCSESEEKTCKTSGSCRGDMQFCKVAGCEHGEEASGAKCRCSLVHKPGEVVVSYGGMRVRPKCYGFSRMMATLEVNPPEQRIGQCTGCHLECINGGVRLITLTSELKSATVCASHFCSSATSGKKSTEIQFHSGSLVGKTAIHVKGALVDGTEFTFEGSCMFPDGCDAVDCTFCREFLKNPQCYPAKKWLFIIIVILLGYAGLMLLTNVLKAWGSWVIAPVKLMFAIIKKLMRSVSCLMGKLMDRGRQVIHEEIEGCDEMVHADSKLVSCKQGSGNMKECVTTGRALLPAVNPGQEACLHFTAPGSPDSKCLKIKVKRINLKCKKSSSYFVPDARSRCTCVRRCRWAGDCQSGCPSHFTSNSFSDDWAGKMDRAGLGFSGCSDGCGGAACGCFNAAPSCIFWRKWVENPHGIIWKVSPCAAWVPSAVIELTMPSGEVRTFHPMSGIPTQVFKGVSVTYLGSDMEVSGLTDLCEIEELKSKKLALAPCNQAGMGVVGKVGEIQCSSEESARTIKKDGCIWNADLVGIELRVDDCVCYSKITSVEAVANYSAIPTTIGGLRFERSHDSQGKISGSPLDITAIRGSFSVNYRGLRLSLSEVTATCTGEVTNVSGCCSCMTGAKVSIKLHSSKNSTAHVRCKGDETAFSVLEGVHSYTVSLSFDHAVVDEQCQLNCGGHESQVTLKGNLICLDVPKFVDGSYMQTYHSSVPTGANIPSPTDWLNALFGNGLSRWILGVIGVLLGGLALFFLIMSLFKLGTKQVFRSR; I: TGPIICAGPIHSNKSANIPHLLGYSEKICQIDRLIHVSSWLRNHSQFQGYVGQRGGRSQVSYYPAENSYSRWSGLLSPCDADWLGMLVVKKAKGSDMIVPGPSYKGKVFFERPTFDGYVGWGCGSGKSRTESGELCSSDSGTSSGLLPSDRVLWIGDVACQPMTPIPEETFLELKSFSQSEFPDICKIDGIVFNQCESESLPQPFDVAWMDVGHSHKIIMREHKTKWVQESSSKDFVCYKEGTGPCSESEEKTCKTSGSCRGDMQFCKVAGCEHGEEASGAKCRCSLVHKPGEVVVSYGGMRVRPKCYGFSRMMATLEVNPPEQRIGQCTGCHLECINGGVRLITLTSELKSATVCASHFCSSATSGKKSTEIQFHSGSLVGKTAIHVKGALVDGTEFTFEGSCMFPDGCDAVDCTFCREFLKNPQCYPAKKWLFIIIVILLGYAGLMLLTNVLWGSWVIAPVKLMFAIIKKLMRSVSCLMGKLMDRGRQVIHEEIEGCDEMVHADSKLVSCKQGSGNMKECVTTGRALLPAVNPGQEACLHFTAPGSPDSKCLKIKVKRINLKCKKSSSYFVPDARSRCTCVRRCRWAGDCQSGCPSHFTSNSFSDDWAGKMDRAGLGFSGCSDGCGGAACGCFNAAPSCIFWRKWVENPHGIIWKVSPCAAWVPSAVIELTMPSGEVRTFHPMSGIPTQVFKGVSVTYLGSDMEVSGLTDLCEIEELKSKKLALAPCNQAGMGVVGKVGEIQCSSEESARTIKKDGCIWNADLVGIELRVDDCVCYSKITSVEAVANYSAIPTTIGGLRFERSHDSQGKISGSPLDITAIRGSFSVNYRGLRLSLSEVTATCTGEVTNVSGCCSCMTGAKVSIKLHSSKNSTAHVRCKGDETAFSVLEGVHSYTVSLSFDHAVVDEQCQLNCGGHESQVTLKGNLICLDVPKFVDGSYMQTYHSSVPTGANIPSPTDWLNALFGNGLSRWILGVIGVLLGGLALFFLIMSLFKLGTKQVFRSR; K: TGPIICAGPIHSNKSANIPHLLGYSEKICQIDRLIHVSSWLRNHSQFQGYVGQRGGRSQVSYYPAENSYSRWSGLLSPCDADWLGMLVVKKAKGSDMIVPGPSYKGKVFFERPTFDGYVGWGCGSGKSRTESGELCSSDSGTSSGLLPSDRVLWIGDVACQPMTPIPEETFLELKSFSQSEFPDICKIDGIVFNQCESESLPQPFDVAWMDVGHSHKIIMREHKTKWVQESSSKDFVCYKEGTGPCSESEEKTCKTSGSCRGDMQFCKVAGCEHGEEASGAKCRCSLVHKPGEVVVSYGGMRVRPKCYGFSRMMATLEVNPPEQRIGQCTGCHLECINGGVRLITLTSELKSATVCASHFCSSATSGKKSTEIQFHSGSLVGKTAIHVKGALVDGTEFTFEGSCMFPDGCDAVDCTFCREFLKNPQCYPAKKWLFIIIVILLGYAGLMLLTNVLKAWGSWVIAPVKLMFAIIKKLMRSVSCLMGKLMDRGRQVIHEEIEGCDEMVHADSKLVSCKQGSGNMKECVTTGRALLPAVNPGQEACLHFTAPGSPDSKCLKIKVKRINLKCKKSSSYFVPDARSRCTCVRRCRWAGDCQSGCPSHFTSNSFSDDWAGKMDRAGLGFSGCSDGCGGAACGCFNAAPSCIFWRKWVENPHGIIWKVSPCAAWVPSAVIELTMPSGEVRTFHPMSGIPTQVFKGVSVTYLGSDMEVSGLTDLCEIEELKSKKLALAPCNQAGMGVVGKVGEIQCSSEESARTIKKDGCIWNADLVGIELRVDDCVCYSKITSVEAVANYSAIPTTIGGLRFERSHDSQGKISGSPLDITAIRGSFSVNYRGLRLSLSEVTATCTGEVTNVSGCCSCMTGAKVSIKLHSSKNSTAHVRCKGDETAFSVLEGVHSYTVSLSFDHAVVDEQCQLNCGGHESQVTLKGNLICLDVPKFVDGSYMQTYHSSVPTGANIPSPTDWLNALFGNGLSRWILGVIGVLLGGLALFFLIMSLFKLGTKQVFRSR
Selected Chain(s)	A,C,E,G,I,K
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:01:49)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (02:08:55)
[INFO]       Main:     Simulation completed successfully.                                          (02:18:09)

• Minimal score value: -3.5557
• Maximal score value: 3.7598
• Average score: -0.4498
• Total score value: -2713.8393

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan3D score	mutation
21	T	A	-0.9290
22	G	A	-0.5956
23	P	A	-0.1727
24	I	A	0.3369
25	I	A	0.4983
26	C	A	-0.0094
27	A	A	-0.6458
28	G	A	0.0000
29	P	A	0.2202
30	I	A	1.0411
31	H	A	-0.4081
32	S	A	-0.8624
33	N	A	-2.2177
34	K	A	-2.8162
35	S	A	-1.8633
36	A	A	-1.7266
37	N	A	-1.8391
38	I	A	-0.7428
39	P	A	-0.6580
40	H	A	-0.5924
41	L	A	0.2762
42	L	A	0.9009
43	G	A	0.0000
44	Y	A	-0.1063
45	S	A	0.0000
46	E	A	-0.1502
47	K	A	-0.1443
48	I	A	0.0000
49	C	A	0.0000
50	Q	A	0.0000
51	I	A	0.0000
52	D	A	0.0000
53	R	A	-0.6158
54	L	A	0.0000
55	I	A	0.0000
56	H	A	0.0000
57	V	A	0.0000
58	S	A	0.0000
59	S	A	-0.9209
60	W	A	0.0000
61	L	A	0.0000
62	R	A	-2.0473
63	N	A	-2.1346
64	H	A	-1.9733
65	S	A	-1.6298
66	Q	A	-2.0667
67	F	A	0.0000
68	Q	A	-1.7563
69	G	A	-1.3696
70	Y	A	0.0000
71	V	A	0.0000
72	G	A	0.0000
73	Q	A	0.0000
74	R	A	-1.7411
75	G	A	-1.7388
76	G	A	0.0000
77	R	A	0.0000
78	S	A	-1.1036
79	Q	A	-1.9798
80	V	A	0.0000
81	S	A	-1.0490
82	Y	A	-0.6060
83	Y	A	-0.3295
84	P	A	-0.7763
85	A	A	-0.8078
86	E	A	-1.9562
87	N	A	0.0000
88	S	A	0.0000
89	Y	A	0.0000
90	S	A	-1.1648
91	R	A	-1.5965
92	W	A	-0.8727
93	S	A	-0.5433
94	G	A	-0.4328
95	L	A	0.0000
96	L	A	0.1440
97	S	A	-0.0269
98	P	A	0.0000
99	C	A	0.0000
100	D	A	0.0000
101	A	A	0.0000
102	D	A	0.0523
103	W	A	0.0518
104	L	A	0.3878
105	G	A	-0.0616
106	M	A	0.2995
107	L	A	0.0000
108	V	A	1.2180
109	V	A	-0.0223
110	K	A	-1.9453
111	K	A	-2.5518
112	A	A	-2.0870
113	K	A	-2.8182
114	G	A	-2.0760
115	S	A	-1.5646
116	D	A	0.0000
117	M	A	-0.8325
118	I	A	0.0000
119	V	A	0.0000
120	P	A	0.0000
121	G	A	-0.5997
122	P	A	0.0000
123	S	A	-1.0361
124	Y	A	0.0000
125	K	A	-2.1344
126	G	A	-1.8147
127	K	A	-1.5651
128	V	A	0.0000
129	F	A	0.0000
130	F	A	0.0000
131	E	A	0.0000
132	R	A	0.0000
133	P	A	0.0000
134	T	A	0.0000
135	F	A	0.0000
136	D	A	-1.1703
137	G	A	0.0000
138	Y	A	0.0000
139	V	A	0.0000
140	G	A	0.0000
141	W	A	0.0000
142	G	A	-0.6173
143	C	A	0.0000
144	G	A	-1.3411
145	S	A	-1.1666
146	G	A	-1.1614
147	K	A	-1.5189
148	S	A	0.0000
149	R	A	-1.2568
150	T	A	-1.2460
151	E	A	-1.4919
152	S	A	-1.0859
153	G	A	0.0000
154	E	A	-0.9814
155	L	A	-0.5232
156	C	A	-0.5379
157	S	A	-0.8412
158	S	A	-1.0125
159	D	A	-1.2888
160	S	A	-1.0508
161	G	A	-0.9805
162	T	A	0.0000
163	S	A	-0.9199
164	S	A	-0.6808
165	G	A	0.0000
166	L	A	-0.0089
167	L	A	0.0000
168	P	A	-1.0653
169	S	A	0.0000
170	D	A	-2.3162
171	R	A	-1.7109
172	V	A	0.0000
173	L	A	0.0000
174	W	A	0.0000
175	I	A	0.0000
176	G	A	-0.3493
177	D	A	0.0000
178	V	A	0.0000
179	A	A	0.0000
180	C	A	0.0000
181	Q	A	0.0000
182	P	A	-0.3995
183	M	A	-0.1393
184	T	A	-0.2950
185	P	A	-0.6803
186	I	A	-1.1370
187	P	A	-1.5729
188	E	A	-2.7485
189	E	A	-2.7437
190	T	A	-1.9185
191	F	A	0.0000
192	L	A	-0.5669
193	E	A	-1.9049
194	L	A	0.0000
195	K	A	-0.4797
196	S	A	-0.4571
197	F	A	-0.3525
198	S	A	0.0000
199	Q	A	-0.3879
200	S	A	-0.4382
201	E	A	0.0000
202	F	A	0.0000
203	P	A	-0.4752
204	D	A	-0.3115
205	I	A	0.0000
206	C	A	0.0000
207	K	A	-0.6576
208	I	A	0.0000
209	D	A	-0.7079
210	G	A	-0.5207
211	I	A	0.1967
212	V	A	0.6638
213	F	A	0.0000
214	N	A	-0.7824
215	Q	A	-1.7087
216	C	A	-1.8404
217	E	A	-2.6821
218	S	A	-2.0123
219	E	A	-2.2919
220	S	A	-0.7684
221	L	A	-0.1737
222	P	A	-0.6510
223	Q	A	-0.2244
224	P	A	-0.6191
225	F	A	-0.6722
226	D	A	-1.2322
227	V	A	0.0000
228	A	A	0.0000
229	W	A	0.0000
230	M	A	0.0000
231	D	A	0.0000
232	V	A	0.0000
233	G	A	-0.9076
234	H	A	-0.8526
235	S	A	-0.6521
236	H	A	0.0000
237	K	A	0.0000
238	I	A	0.0000
239	I	A	0.0000
240	M	A	0.0000
241	R	A	0.0000
242	E	A	-0.3795
243	H	A	0.0000
244	K	A	-0.9440
245	T	A	-0.8315
246	K	A	-0.8912
247	W	A	0.0000
248	V	A	-0.4998
249	Q	A	-1.0278
250	E	A	-1.9095
251	S	A	-1.4147
252	S	A	-1.4254
253	S	A	-1.3605
254	K	A	-1.7128
255	D	A	-1.1297
256	F	A	0.0000
257	V	A	-0.0260
258	C	A	0.0000
259	Y	A	-1.1424
260	K	A	-2.3778
261	E	A	-2.8141
262	G	A	-1.8278
263	T	A	-1.2958
264	G	A	-0.9844
265	P	A	-1.0461
266	C	A	0.0000
267	S	A	-1.0573
268	E	A	-1.8494
269	S	A	-1.6711
270	E	A	-2.0333
271	E	A	0.0000
272	K	A	-2.5345
273	T	A	-1.5995
274	C	A	-1.2515
275	K	A	-1.1923
276	T	A	-0.8882
277	S	A	-0.6804
278	G	A	-0.8348
279	S	A	-1.1950
280	C	A	0.0000
281	R	A	-1.6587
282	G	A	0.0000
283	D	A	-0.7692
284	M	A	-0.3011
285	Q	A	-0.8153
286	F	A	0.0000
287	C	A	-0.9947
288	K	A	-1.2904
289	V	A	-0.6176
290	A	A	-0.5725
291	G	A	-0.9275
292	C	A	-1.4023
293	E	A	-2.3407
294	H	A	-2.4458
295	G	A	-2.4389
296	E	A	-2.8045
297	E	A	-2.5712
298	A	A	-1.3347
299	S	A	-1.3868
300	G	A	-1.6292
301	A	A	-2.0901
302	K	A	-2.7503
303	C	A	0.0000
304	R	A	-1.5642
305	C	A	0.0000
306	S	A	-0.2508
307	L	A	-0.3250
308	V	A	0.0000
309	H	A	-0.8040
310	K	A	0.0000
311	P	A	0.0000
312	G	A	0.0000
313	E	A	-0.6092
314	V	A	0.0000
315	V	A	-0.5890
316	V	A	0.0000
317	S	A	-1.1679
318	Y	A	0.0000
319	G	A	-0.8864
320	G	A	-1.1064
321	M	A	-1.2917
322	R	A	-1.9724
323	V	A	0.0000
324	R	A	-0.7359
325	P	A	0.0000
326	K	A	-0.4142
327	C	A	0.0000
328	Y	A	0.0000
329	G	A	0.0000
330	F	A	-0.3631
331	S	A	0.0000
332	R	A	-0.7276
333	M	A	0.0000
334	M	A	0.0000
335	A	A	0.0000
336	T	A	-0.4617
337	L	A	-0.4362
338	E	A	-1.3766
339	V	A	-0.7364
340	N	A	-1.7941
341	P	A	-1.7441
342	P	A	-2.4964
343	E	A	-3.2771
344	Q	A	-2.8926
345	R	A	-3.2525
346	I	A	-1.7014
347	G	A	-1.0014
348	Q	A	-1.0694
349	C	A	-0.0524
350	T	A	0.2067
351	G	A	0.3174
352	C	A	-0.0203
353	H	A	-1.0221
354	L	A	0.0000
355	E	A	-1.2386
356	C	A	-0.4640
357	I	A	-0.7505
358	N	A	-1.0957
359	G	A	0.0000
360	G	A	0.0000
361	V	A	0.0000
362	R	A	-1.6262
363	L	A	0.0000
364	I	A	-0.9751
365	T	A	0.0000
366	L	A	0.8580
367	T	A	0.2891
368	S	A	-1.0391
369	E	A	-2.5330
370	L	A	0.0000
371	K	A	-2.6333
372	S	A	0.0000
373	A	A	0.0000
374	T	A	0.0000
375	V	A	0.0000
376	C	A	-0.5836
377	A	A	0.0000
378	S	A	-0.6281
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384	A	A	-0.6344
385	T	A	-1.4640
386	S	A	-1.7505
387	G	A	-2.0940
388	K	A	-2.9939
389	K	A	-2.1786
390	S	A	-1.6435
391	T	A	0.0000
392	E	A	-2.1553
393	I	A	0.0000
394	Q	A	-1.1655
395	F	A	0.0000
396	H	A	-0.5008
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399	S	A	0.0000
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401	V	A	-0.8426
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403	K	A	-1.7121
404	T	A	-0.6357
405	A	A	-0.8570
406	I	A	0.0000
407	H	A	-1.9163
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409	K	A	-2.2072
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413	V	A	-1.8578
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415	G	A	-1.7312
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419	T	A	-1.3584
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421	E	A	-2.6120
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425	M	A	-0.2486
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427	P	A	-1.4364
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434	D	A	-1.7097
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443	K	A	-0.9640
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445	P	A	-0.6156
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448	Y	A	1.3888
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450	A	A	0.2262
451	K	A	-0.1632
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458	I	A	3.1480
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468	M	A	2.4971
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471	T	A	1.7657
472	N	A	1.2113
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475	K	A	-0.0895
476	A	A	1.0170
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489	K	A	-0.7295
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514	R	A	-0.5018
515	Q	A	-0.1585
516	V	A	0.8210
517	I	A	1.3137
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519	E	A	-1.1445
520	E	A	-0.7843
521	I	A	1.2879
561	E	A	-2.0414
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564	D	A	-1.3642
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566	M	A	-0.4339
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569	A	A	-0.2677
570	D	A	-0.6959
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579	G	A	-2.2829
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582	N	A	-2.0612
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589	T	A	-0.2414
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591	R	A	-0.6363
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598	N	A	-0.7723
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621	K	A	-1.2054
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623	K	A	-1.0868
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629	C	A	-0.1828
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637	V	A	-0.1984
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664	F	A	1.2762
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700	N	A	0.0299
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735	E	A	-1.0518
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740	S	A	-1.0800
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775	T	A	-1.0382
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792	P	A	-1.3863
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870	H	A	-2.0896
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881	L	A	1.1266
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900	S	A	-0.5497
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904	V	A	0.4220
905	T	A	-0.4284
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913	T	A	-1.7161
914	N	A	-2.4720
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916	S	A	-1.4522
917	G	A	-1.1839
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920	S	A	-0.6731
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937	S	A	-0.8096
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957	H	A	-0.8850
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959	Y	A	-0.3132
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977	N	A	-2.0707
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979	G	A	-1.5232
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986	T	A	-1.9183
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988	K	A	-3.1475
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990	N	A	-1.9206
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992	I	A	-0.4462
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998	K	A	-0.6084
999	F	A	0.1308
1000	V	A	-0.4623
1001	D	A	-1.6905
1002	G	A	-1.0273
1003	S	A	-0.3482
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1005	M	A	0.0000
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1009	H	A	-0.1354
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1014	T	A	0.1916
1015	G	A	-0.3451
1016	A	A	0.3796
1017	N	A	0.7005
1018	I	A	1.7932
1019	P	A	0.4928
1020	S	A	-0.0900
1021	P	A	-0.1263
1022	T	A	-0.2541
1023	D	A	0.0000
1024	W	A	-0.5789
1025	L	A	0.0000
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1027	A	A	-0.1064
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1030	G	A	0.2036
1031	N	A	-0.0657
1032	G	A	-0.1274
1033	L	A	0.7798
1034	S	A	0.0730
1035	R	A	-0.5257
1036	W	A	1.1106
1037	I	A	1.9420
1038	L	A	1.8835
1039	G	A	0.0000
1040	V	A	1.9777
1041	I	A	2.7424
1042	G	A	1.5504
1043	V	A	0.0000
1044	L	A	1.9287
1045	L	A	2.2225
1046	G	A	1.2243
1047	G	A	0.0000
1048	L	A	2.0753
1049	A	A	1.8162
1050	L	A	2.0020
1051	F	A	0.0000
1052	F	A	3.0354
1053	L	A	2.9406
1054	I	A	2.4292
1055	M	A	1.9862
1056	S	A	1.8215
1057	L	A	2.3559
1058	F	A	1.6160
1059	K	A	-0.4574
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1062	T	A	-0.0025
1063	K	A	-1.3012
1064	Q	A	-1.1939
1065	V	A	0.7432
1066	F	A	0.5476
1067	R	A	-1.9561
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1069	R	A	-1.8230
21	T	C	-0.8690
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