Project name: dCas9-2

Chain sequence(s)	A: MSYYHHHHHHDYDIPTTENLYFQGAMDKKYSIGLAIGTNSVGWAVITDEYKVPSKKFKVLGNTDRHSIKKNLIGALLFDSGETAEATRLKRTARRRYTRRKNRICYLQEIFSNEMAKVDDSFFHRLEESFLVEEDKKHERHPIFGNIVDEVAYHEKYPTIYHLRKKLVDSTDKADLRLIYLALAHMIKFRGHFLIEGDLNPDNSDVDKLFIQLVQTYNQLFEENPINASGVDAKAILSARLSKSRRLENLIAQLPGEKKNGLFGNLIALSLGLTPNFKSNFDLAEDAKLQLSKDTYDDDLDNLLAQIGDQYADLFLAAKNLSDAILLSDILRVNTEITKAPLSASMIKRYDEHHQDLTLLKALVRQQLPEKYKEIFFDQSKNGYAGYIDGGASQEEFYKFIKPILEKMDGTEELLVKLNREDLLRKQRTFDNGSIPHQIHLGELHAILRRQEDFYPFLKDNREKIEKILTFRIPYYVGPLARGNSRFAWMTRKSEETITPWNFEEVVDKGASAQSFIERMTNFDKNLPNEKVLPKHSLLYEYFTVYNELTKVKYVTEGMRKPAFLSGEQKKAIVDLLFKTNRKVTVKQLKEDYFKKIECFDSVEISGVEDRFNASLGTYHDLLKIIKDKDFLDNEENEDILEDIVLTLTLFEDREMIEERLKTYAHLFDDKVMKQLKRRRYTGWGRLSRKLINGIRDKQSGKTILDFLKSDGFANRNFMQLIHDDSLTFKEDIQKAQVSGQGDSLHEHIANLAGSPAIKKGILQTVKVVDELVKVMGRHKPENIVIEMARENQTTQKGQKNSRERMKRIEEGIKELGSQILKEHPVENTQLQNEKLYLYYLQNGRDMYVDQELDINRLSDYDVDAIVPQSFLKDDSIDNKVLTRSDKNRGKSDNVPSEEVVKKMKNYWRQLLNAKLITQRKFDNLTKAERGGLSELDKAGFIKRQLVETRQITKHVAQILDSRMNTKYDENDKLIREVKVITLKSKLVSDFRKDFQFYKVREINNYHHAHDAYLNAVVGTALIKKYPKLESEFVYGDYKVYDVRKMIAKSEQEIGKATAKYFFYSNIMNFFKTEITLANGEIRKRPLIETNGETGEIVWDKGRDFATVRKVLSMPQVNIVKKTEVQTGGFSKESILPKRNSDKLIARKKDWDPKKYGGFDSPTVAYSVLVVAKVEKGKSKKLKSVKELLGITIMERSSFEKNPIDFLEAKGYKEVKKDLIIKLPKYSLFELENGRKRMLASAGELQKGNELALPSKYVNFLYLASHYEKLKGSPEDNEQKQLFVEQHKHYLDEIIEQISEFSKRVILADANLDKVLSAYNKHRDKPIREQAENIIHLFTLTNLGAPAAFKYFDTTIDRKRYTSTKEVLDATLIHQSITGLYETRIDLSQLGGDGSPKKKRKVSSDYKDHDGDYKDHDIDYKDDDDKAAGGGGSGDALDDFDLDMLGSDALDDFDLDMLGSDALDDFDLDMLGSDALDDFDLDMLINSRSSGSPKKKRKVGSQYLPDTDDRHRIEEKRKRTYETFKSIMKKSPFSGPTDPRPPPRRIAVPSRSSASVPKPAPQPYPFTSSLSTINYDEFPTMVFPSGQISQASALAPAPPQVLPQAPAPAPAPAMVSALAQAPAPVPVLAPGPPQAVAPPAPKPTQAGEGTLSEALLQLQFDDEDLGALLGNSTDPAVFTDLASVDNSEFQQLLNQGIPVAPHTTEPMLMEYPEAITRLVTGAQRPPDPAPAPLGAPGLPNGLLSGDEDFSSIADMDFSALLGSGSGSRDSREGMFLPKPEAGSAISDVFEGREVCQPKRIRPFHPPGSPWANRPLPASLAPTPTGPVHEPVGSLTPAPVPQPLDPAPAVTPEASHLLEDPDEETSQAVKALREMADTVIPQKEEAAICGQMDLSHPPPRGHLDELTTTLESMTEDLNLDSPLTPELNEILDTFLNDECLLHAMHISTGLSIFDTSLF
Selected Chain(s)	A
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 A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:05)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (01:32:36)
[INFO]       Main:     Simulation completed successfully.                                          (01:33:56)

• Minimal score value: -5.0434
• Maximal score value: 3.1555
• Average score: -1.0166
• Total score value: -1989.5003

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
1	M	A	1.2221
2	S	A	1.2430
3	Y	A	1.8639
4	Y	A	1.2148
5	H	A	-0.6908
6	H	A	-2.0839
7	H	A	-2.5918
8	H	A	-2.6494
9	H	A	-2.6410
10	H	A	-2.5604
11	D	A	-2.2291
12	Y	A	-0.2789
13	D	A	-0.8448
14	I	A	1.2117
15	P	A	0.2668
16	T	A	-0.3021
17	T	A	-0.1465
18	E	A	-1.5508
19	N	A	-0.9058
20	L	A	0.8774
21	Y	A	0.9868
22	F	A	0.2514
23	Q	A	-0.8755
24	G	A	-0.6505
25	A	A	-0.5764
26	M	A	-1.1870
27	D	A	-2.8974
28	K	A	-3.4872
29	K	A	-3.4170
30	Y	A	0.0000
31	S	A	0.0000
32	I	A	0.0000
33	G	A	0.0000
34	L	A	0.0000
35	A	A	0.0000
36	I	A	0.0000
37	G	A	-1.0185
38	T	A	-1.1345
39	N	A	-1.3157
40	S	A	0.0000
41	V	A	0.0000
42	G	A	0.0000
43	W	A	0.0000
44	A	A	0.0000
45	V	A	0.0000
46	I	A	0.0000
47	T	A	-2.2036
48	D	A	-2.9654
49	E	A	-1.7690
50	Y	A	0.0000
51	K	A	-1.7702
52	V	A	-0.9074
53	P	A	-0.4106
54	S	A	-1.1801
55	K	A	-1.8289
56	K	A	-2.9572
57	F	A	0.0000
58	K	A	-2.4460
59	V	A	0.0000
60	L	A	-0.5341
61	G	A	-0.9115
62	N	A	-1.4828
63	T	A	-1.7583
64	D	A	-2.5798
65	R	A	-2.3418
66	H	A	-2.2932
67	S	A	-2.2078
68	I	A	-1.8655
69	K	A	-2.7251
70	K	A	0.0000
71	N	A	-0.9236
72	L	A	0.0000
73	I	A	0.0000
74	G	A	0.0000
75	A	A	0.0000
76	L	A	0.0000
77	L	A	0.0000
78	F	A	0.0000
79	D	A	-1.5203
80	S	A	-1.3679
81	G	A	-1.4160
82	E	A	-2.0989
83	T	A	-1.3456
84	A	A	-0.5127
85	E	A	-0.6426
86	A	A	-0.2571
87	T	A	-0.3452
88	R	A	-0.1575
89	L	A	0.6178
90	K	A	-1.1422
91	R	A	-1.4276
92	T	A	-1.1334
93	A	A	-1.3576
94	R	A	-2.2701
95	R	A	-2.4884
96	R	A	-2.8164
97	Y	A	-1.7925
98	T	A	-1.8797
99	R	A	-1.9757
100	R	A	-1.9682
101	K	A	-2.1744
102	N	A	-1.5123
103	R	A	-1.1033
104	I	A	-0.8585
105	C	A	-0.8210
106	Y	A	-0.7007
107	L	A	0.0000
108	Q	A	-1.0721
109	E	A	-1.9756
110	I	A	-1.0245
111	F	A	0.0000
112	S	A	-1.9706
113	N	A	-2.3556
114	E	A	-1.9483
115	M	A	0.0000
116	A	A	-1.9363
117	K	A	-2.1127
118	V	A	-0.6041
119	D	A	-1.0721
120	D	A	-2.3891
121	S	A	-1.5125
122	F	A	0.0000
123	F	A	-1.0841
124	H	A	-2.2423
125	R	A	0.0000
126	L	A	-1.0014
127	E	A	-1.8527
128	E	A	0.0000
129	S	A	-0.8110
130	F	A	0.3895
131	L	A	-1.1813
132	V	A	-1.5387
133	E	A	-3.7941
134	E	A	-3.4610
135	D	A	-2.8309
136	K	A	-3.4335
137	K	A	-3.3774
138	H	A	-2.9897
139	E	A	-3.4816
140	R	A	-3.2835
141	H	A	-1.1230
142	P	A	0.0000
143	I	A	0.0000
144	F	A	-0.1002
145	G	A	-0.8947
146	N	A	0.1086
147	I	A	2.0165
148	V	A	2.3580
149	D	A	0.3235
150	E	A	0.0000
151	V	A	0.9482
152	A	A	-0.2841
153	Y	A	0.0000
154	H	A	-1.5489
155	E	A	-2.6027
156	K	A	-2.5006
157	Y	A	-1.4112
158	P	A	-1.0575
159	T	A	-0.4923
160	I	A	0.0000
161	Y	A	0.0000
162	H	A	-0.6542
163	L	A	0.0000
164	R	A	0.0000
165	K	A	-1.0704
166	K	A	-1.3297
167	L	A	0.0000
168	V	A	0.0000
169	D	A	-1.6583
170	S	A	-1.7244
171	T	A	-1.9920
172	D	A	-2.8690
173	K	A	-2.7181
174	A	A	0.0000
175	D	A	-0.9424
176	L	A	0.0000
177	R	A	-0.1765
178	L	A	0.0000
179	I	A	0.0000
180	Y	A	0.0000
181	L	A	0.0000
182	A	A	0.0000
183	L	A	0.0000
184	A	A	0.0000
185	H	A	0.0000
186	M	A	0.0000
187	I	A	0.0000
188	K	A	-0.8111
189	F	A	-0.3888
190	R	A	-0.2861
191	G	A	-0.2286
192	H	A	0.2170
193	F	A	0.4042
194	L	A	1.0940
195	I	A	-0.3989
196	E	A	-2.0746
197	G	A	-2.0611
198	D	A	-2.4285
199	L	A	-1.6619
200	N	A	-1.9236
201	P	A	-2.0750
202	D	A	-2.6432
203	N	A	-2.1314
204	S	A	-1.5647
205	D	A	-1.6556
206	V	A	0.0000
207	D	A	-1.8677
208	K	A	-1.9003
209	L	A	0.0000
210	F	A	0.0000
211	I	A	-0.6166
212	Q	A	-1.2927
213	L	A	0.0000
214	V	A	0.0000
215	Q	A	-1.5828
216	T	A	-1.0747
217	Y	A	0.0000
218	N	A	-2.2559
219	Q	A	-1.9586
220	L	A	-1.5212
221	F	A	-2.0447
222	E	A	-3.3887
223	E	A	-3.3619
224	N	A	-2.8946
225	P	A	-2.3701
226	I	A	-1.5915
227	N	A	-1.7464
228	A	A	0.0000
229	S	A	-0.8733
230	G	A	-1.2607
231	V	A	-1.4570
232	D	A	-2.3136
233	A	A	0.0000
234	K	A	-1.7954
235	A	A	-1.0980
236	I	A	-1.1486
237	L	A	0.0000
238	S	A	-0.6768
239	A	A	-0.9744
240	R	A	-1.5287
241	L	A	-0.8268
242	S	A	-1.2113
243	K	A	-1.5392
244	S	A	-1.6831
245	R	A	-2.4855
246	R	A	0.0000
247	L	A	0.0000
248	E	A	-2.6146
249	N	A	-1.5033
250	L	A	0.0000
251	I	A	0.0000
252	A	A	-1.2849
253	Q	A	-1.6009
254	L	A	0.0000
255	P	A	-1.1834
256	G	A	-1.4663
257	E	A	-1.8725
258	K	A	-2.9478
259	K	A	-2.6013
260	N	A	-2.3726
261	G	A	-1.6757
262	L	A	-0.7649
263	F	A	0.0000
264	G	A	0.0000
265	N	A	0.0000
266	L	A	0.0000
267	I	A	0.0000
268	A	A	0.0000
269	L	A	0.0000
270	S	A	0.0000
271	L	A	0.0000
272	G	A	-0.2787
273	L	A	-0.1009
274	T	A	-0.6375
275	P	A	0.0000
276	N	A	-2.0991
277	F	A	0.0000
278	K	A	-2.3801
279	S	A	-1.7539
280	N	A	-1.1230
281	F	A	-1.0010
282	D	A	-2.2001
283	L	A	-2.1157
284	A	A	-2.4798
285	E	A	-3.2129
286	D	A	-3.3179
287	A	A	-2.4684
288	K	A	-2.6794
289	L	A	0.0000
290	Q	A	-1.2300
291	L	A	-0.8610
292	S	A	-0.7484
293	K	A	-2.1174
294	D	A	-2.7402
295	T	A	-1.7468
296	Y	A	-1.8017
297	D	A	-2.0346
298	D	A	-2.0166
299	D	A	-1.9777
300	L	A	0.0000
301	D	A	-2.0602
302	N	A	-1.6778
303	L	A	0.0000
304	L	A	0.0000
305	A	A	-1.7954
306	Q	A	-1.8066
307	I	A	-1.1900
308	G	A	-1.5565
309	D	A	-2.3398
310	Q	A	-1.6037
311	Y	A	-0.8811
312	A	A	-1.1878
313	D	A	-1.5317
314	L	A	0.0000
315	F	A	0.0000
316	L	A	0.0914
317	A	A	-0.6647
318	A	A	0.0000
319	K	A	-1.0115
320	N	A	-1.0910
321	L	A	0.0000
322	S	A	-0.5536
323	D	A	-0.9153
324	A	A	0.0000
325	I	A	0.0000
326	L	A	-0.0692
327	L	A	0.0000
328	S	A	-0.2806
329	D	A	-0.4658
330	I	A	0.0000
331	L	A	-0.2320
332	R	A	-0.8227
333	V	A	0.0000
334	N	A	-1.5587
335	T	A	-1.1449
336	E	A	-1.4845
337	I	A	0.4118
338	T	A	-0.9564
339	K	A	-1.7886
340	A	A	0.0000
341	P	A	-0.8067
342	L	A	0.0000
343	S	A	0.0000
344	A	A	0.0000
345	S	A	0.0000
346	M	A	0.0000
347	I	A	-0.6080
348	K	A	-1.5845
349	R	A	-1.5404
350	Y	A	-1.3754
351	D	A	-2.3020
352	E	A	-2.2457
353	H	A	-1.8210
354	H	A	-2.1687
355	Q	A	-2.1394
356	D	A	0.0000
357	L	A	-0.8045
358	T	A	-0.7183
359	L	A	-0.3635
360	L	A	0.0000
361	K	A	-1.1807
362	A	A	-1.0218
363	L	A	-1.2865
364	V	A	0.0000
365	R	A	-3.1630
366	Q	A	-2.3087
367	Q	A	-2.1969
368	L	A	-1.8682
369	P	A	-2.7168
370	E	A	-2.9687
371	K	A	-2.5638
372	Y	A	0.0000
373	K	A	-2.6387
374	E	A	-2.5175
375	I	A	0.0000
376	F	A	-0.3855
377	F	A	-0.1109
378	D	A	-1.6275
379	Q	A	-2.0707
380	S	A	-1.3867
381	K	A	-1.6602
382	N	A	-1.9916
383	G	A	0.0000
384	Y	A	-0.1424
385	A	A	0.0000
386	G	A	0.0000
387	Y	A	0.0000
388	I	A	-0.2500
389	D	A	-1.6638
390	G	A	-1.4110
391	G	A	-0.9523
392	A	A	-1.3602
393	S	A	-1.1759
394	Q	A	-1.2831
395	E	A	-2.2861
396	E	A	-2.4619
397	F	A	0.0000
398	Y	A	0.0000
399	K	A	-2.5486
400	F	A	-1.3933
401	I	A	0.0000
402	K	A	-1.8897
403	P	A	-1.7517
404	I	A	0.0000
405	L	A	0.0000
406	E	A	-3.4438
407	K	A	-3.1381
408	M	A	0.0000
409	D	A	-2.9269
410	G	A	-2.1229
411	T	A	0.0000
412	E	A	-2.6991
413	E	A	-1.8730
414	L	A	0.0000
415	L	A	-0.9948
416	V	A	0.1727
417	K	A	-0.7504
418	L	A	0.0000
419	N	A	-1.0144
420	R	A	-1.1838
421	E	A	-1.3505
422	D	A	-1.0483
423	L	A	0.0000
424	L	A	0.0000
425	R	A	-1.0785
426	K	A	-1.1350
427	Q	A	-1.1852
428	R	A	-1.6208
429	T	A	-0.2290
430	F	A	1.3281
431	D	A	0.0000
432	N	A	-0.2590
433	G	A	-0.2880
434	S	A	0.0000
435	I	A	0.0000
436	P	A	0.0000
437	H	A	0.1470
438	Q	A	-0.5810
439	I	A	-0.2704
440	H	A	0.0000
441	L	A	-0.0892
442	G	A	-0.5097
443	E	A	0.0000
444	L	A	0.0000
445	H	A	-1.2815
446	A	A	0.0000
447	I	A	0.0000
448	L	A	0.0000
449	R	A	-2.6729
450	R	A	-2.8644
451	Q	A	0.0000
452	E	A	0.0000
453	D	A	-2.5403
454	F	A	-1.4171
455	Y	A	0.0000
456	P	A	-1.5510
457	F	A	-1.5081
458	L	A	0.0000
459	K	A	-3.6663
460	D	A	-3.1216
461	N	A	-2.4033
462	R	A	-2.8303
463	E	A	-3.0134
464	K	A	-2.0367
465	I	A	0.0000
466	E	A	-1.4234
467	K	A	-1.3448
468	I	A	0.0000
469	L	A	0.0000
470	T	A	-0.4235
471	F	A	-0.3484
472	R	A	-0.7766
473	I	A	-0.1503
474	P	A	-0.4339
475	Y	A	0.0000
476	Y	A	0.0000
477	V	A	0.0000
478	G	A	0.0000
479	P	A	0.0000
480	L	A	0.0821
481	A	A	-1.3236
482	R	A	-2.7467
483	G	A	-2.1928
484	N	A	-2.8433
485	S	A	-2.2443
486	R	A	-2.0754
487	F	A	-0.7052
488	A	A	-0.7823
489	W	A	0.0000
490	M	A	0.0000
491	T	A	-1.5526
492	R	A	-3.1457
493	K	A	-3.6576
494	S	A	-3.0627
495	E	A	-3.5476
496	E	A	-3.2875
497	T	A	-1.3976
498	I	A	-0.9639
499	T	A	-0.2693
500	P	A	0.0000
501	W	A	-0.6350
502	N	A	-1.3077
503	F	A	0.0000
504	E	A	-2.9905
505	E	A	-3.4947
506	V	A	0.0000
507	V	A	0.0000
508	D	A	-2.3530
509	K	A	-1.8795
510	G	A	-1.3680
511	A	A	-1.2206
512	S	A	0.0000
513	A	A	0.0000
514	Q	A	-1.8469
515	S	A	-1.4297
516	F	A	0.0000
517	I	A	-1.3084
518	E	A	-2.4841
519	R	A	-1.7183
520	M	A	-0.9379
521	T	A	0.0000
522	N	A	-1.3672
523	F	A	-0.5238
524	D	A	0.0000
525	K	A	-1.4308
526	N	A	-1.2190
527	L	A	0.0000
528	P	A	-1.0183
529	N	A	-1.7023
530	E	A	-1.6821
531	K	A	-1.5561
532	V	A	0.0000
533	L	A	0.0000
534	P	A	0.0000
535	K	A	-0.8158
536	H	A	-0.5680
537	S	A	0.0000
538	L	A	0.0000
539	L	A	0.0000
540	Y	A	0.0000
541	E	A	0.0000
542	Y	A	0.0904
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1190	G	A	-0.0134
1191	I	A	0.0000
1192	T	A	0.3062
1193	I	A	0.3366
1194	M	A	0.4290
1195	E	A	-0.3858
1196	R	A	-1.0773
1197	S	A	-1.2294
1198	S	A	-1.6586
1199	F	A	0.0000
1200	E	A	-2.5972
1201	K	A	-2.8849
1202	N	A	-2.0612
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1234	G	A	-1.7588
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1301	F	A	0.0000
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1401	K	A	-2.5424
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1405	D	A	-1.7702
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1497	R	A	-3.5466
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1499	V	A	0.2471
1500	G	A	-0.2554
1501	S	A	-0.5754
1502	Q	A	-0.3935
1503	Y	A	1.1226
1504	L	A	1.3730
1505	P	A	-0.4308
1506	D	A	-2.0043
1507	T	A	-2.4988
1508	D	A	-4.0335
1509	D	A	-4.3962
1510	R	A	-4.2526
1511	H	A	-4.1786
1512	R	A	-4.4033
1513	I	A	-2.7763
1514	E	A	-4.7804
1515	E	A	-5.0434
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1523	T	A	-0.2591
1524	F	A	1.3937
1525	K	A	-0.2159
1526	S	A	-0.0238
1527	I	A	1.4342
1528	M	A	0.5362
1529	K	A	-1.6439
1530	K	A	-2.0055
1531	S	A	-0.9025
1532	P	A	0.0012
1533	F	A	1.5729
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1535	G	A	-0.5020
1536	P	A	-0.9360
1537	T	A	-1.2479
1538	D	A	-2.5276
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1540	R	A	-2.5910
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1544	R	A	-2.4985
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1562	Q	A	-1.1620
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1564	Y	A	1.1824
1565	P	A	1.3071
1566	F	A	2.0019
1567	T	A	0.6942
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1569	S	A	0.4041
1570	L	A	1.2752
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1573	I	A	1.5512
1574	N	A	0.0324
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1576	D	A	-1.8922
1577	E	A	-1.5963
1578	F	A	0.5000
1579	P	A	0.6170
1580	T	A	1.1719
1581	M	A	2.2136
1582	V	A	3.1555
1583	F	A	2.8108
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1591	A	A	-0.6716
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1600	Q	A	-0.0934
1601	V	A	1.7420
1602	L	A	1.7369
1603	P	A	0.3974
1604	Q	A	-1.0200
1605	A	A	-0.6925
1606	P	A	-0.5090
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1609	A	A	-0.1734
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1611	A	A	-0.1759
1612	P	A	-0.0444
1613	A	A	0.8115
1614	M	A	1.8859
1615	V	A	2.2250
1616	S	A	1.1927
1617	A	A	1.0644
1618	L	A	1.3101
1619	A	A	0.3589
1620	Q	A	-0.8703
1621	A	A	-0.6431
1622	P	A	-0.5178
1623	A	A	0.1684
1624	P	A	0.5018
1625	V	A	1.9125
1626	P	A	1.8514
1627	V	A	2.8204
1628	L	A	2.3543
1629	A	A	0.9297
1630	P	A	-0.1712
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1632	P	A	-0.9267
1633	P	A	-1.0513
1634	Q	A	-0.9765
1635	A	A	0.2088
1636	V	A	1.5312
1637	A	A	0.7216
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1639	P	A	-0.4055
1640	A	A	-0.6260
1641	P	A	-1.1444
1642	K	A	-1.9624
1643	P	A	-1.5075
1644	T	A	-1.1328
1645	Q	A	-1.3452
1646	A	A	-1.1957
1647	G	A	-1.7344
1648	E	A	-2.2978
1649	G	A	-1.1986
1650	T	A	0.0264
1651	L	A	0.9233
1652	S	A	-0.2548
1653	E	A	-1.2223
1654	A	A	0.0645
1655	L	A	1.7088
1656	L	A	2.0582
1657	Q	A	0.4141
1658	L	A	1.0260
1659	Q	A	-0.0383
1660	F	A	0.4089
1661	D	A	-2.3098
1662	D	A	-3.5823
1663	E	A	-3.6799
1664	D	A	-2.4415
1665	L	A	0.0712
1666	G	A	0.3204
1667	A	A	1.2316
1668	L	A	2.1439
1669	L	A	1.7707
1670	G	A	0.0813
1671	N	A	-1.5331
1672	S	A	-1.3792
1673	T	A	-1.3584
1674	D	A	-1.9389
1675	P	A	-0.3046
1676	A	A	0.0529
1677	V	A	0.6877
1678	F	A	0.7070
1679	T	A	-0.1960
1680	D	A	-1.3006
1681	L	A	-0.1899
1682	A	A	-0.4262
1683	S	A	-1.1690
1684	V	A	-0.8478
1685	D	A	-1.7377
1686	N	A	-1.5613
1687	S	A	-1.9475
1688	E	A	-2.7511
1689	F	A	0.0000
1690	Q	A	-1.8223
1691	Q	A	-2.5207
1692	L	A	-1.0951
1693	L	A	-0.9086
1694	N	A	-1.8090
1695	Q	A	-1.7591
1696	G	A	-0.9564
1697	I	A	0.0072
1698	P	A	-0.4413
1699	V	A	0.1534
1700	A	A	0.0000
1701	P	A	-0.5713
1702	H	A	-1.2091
1703	T	A	-0.7508
1704	T	A	-1.0333
1705	E	A	-0.7606
1706	P	A	-0.7591
1707	M	A	-0.2429
1708	L	A	0.0000
1709	M	A	0.0000
1710	E	A	-0.7357
1711	Y	A	0.0000
1712	P	A	-0.6845
1713	E	A	-1.8915
1714	A	A	-0.8148
1715	I	A	-0.1425
1716	T	A	-0.4701
1717	R	A	-0.8090
1718	L	A	0.2107
1719	V	A	0.4415
1720	T	A	-0.1091
1721	G	A	-0.5429
1722	A	A	-0.9500
1723	Q	A	-2.0311
1724	R	A	-2.8390
1725	P	A	-2.1367
1726	P	A	-1.8525
1727	D	A	-2.4360
1728	P	A	-1.2628
1729	A	A	-0.8677
1730	P	A	-0.3718
1731	A	A	0.1277
1732	P	A	0.3623
1733	L	A	1.1463
1734	G	A	-0.0631
1735	A	A	-0.0370
1736	P	A	-0.0205
1737	G	A	0.0670
1738	L	A	0.8796
1739	P	A	-0.1351
1740	N	A	-0.8425
1741	G	A	-0.1551
1742	L	A	1.2749
1743	L	A	1.1362
1744	S	A	-0.4366
1745	G	A	-1.7775
1746	D	A	-3.4422
1747	E	A	-3.6037
1748	D	A	-2.8430
1749	F	A	-0.7580
1750	S	A	-0.5409
1751	S	A	-0.0930
1752	I	A	0.6145
1753	A	A	0.0687
1754	D	A	-0.2884
1755	M	A	0.4517
1756	D	A	0.1357
1757	F	A	0.4215
1758	S	A	0.2940
1759	A	A	0.4484
1760	L	A	0.9134
1761	L	A	0.1416
1762	G	A	-0.3632
1763	S	A	-0.6696
1764	G	A	-0.7107
1765	S	A	-1.0203
1766	G	A	-1.2421
1767	S	A	-1.8891
1768	R	A	-3.0072
1769	D	A	-3.2365
1770	S	A	-2.7718
1771	R	A	-3.3148
1772	E	A	-2.7999
1773	G	A	-1.0248
1774	M	A	1.7639
1775	F	A	3.0781
1776	L	A	2.1452
1777	P	A	0.1890
1778	K	A	-2.0583
1779	P	A	-2.0104
1780	E	A	-2.4400
1781	A	A	-1.1836
1782	G	A	-0.9017
1783	S	A	0.0028
1784	A	A	0.7718
1785	I	A	1.5117
1786	S	A	0.3784
1787	D	A	-0.1745
1788	V	A	1.3878
1789	F	A	1.3393
1790	E	A	-1.0423
1791	G	A	-2.2570
1792	R	A	-3.0467
1793	E	A	-1.8936
1794	V	A	0.5181
1795	C	A	0.6160
1796	Q	A	-0.9626
1797	P	A	-1.8248
1798	K	A	-2.5226
1799	R	A	-2.1533
1800	I	A	-0.1968
1801	R	A	-1.0553
1802	P	A	-0.0602
1803	F	A	0.9346
1804	H	A	-0.3090
1805	P	A	-0.6111
1806	P	A	-0.8835
1807	G	A	-0.7985
1808	S	A	-0.3751
1809	P	A	0.1002
1810	W	A	0.7973
1811	A	A	-0.3388
1812	N	A	-1.9903
1813	R	A	-2.2733
1814	P	A	-0.9183
1815	L	A	0.8892
1816	P	A	0.5226
1817	A	A	0.4747
1818	S	A	0.5111
1819	L	A	1.4307
1820	A	A	0.6108
1821	P	A	0.0324
1822	T	A	-0.3321
1823	P	A	-0.4670
1824	T	A	-0.4837
1825	G	A	-0.3211
1826	P	A	0.1218
1827	V	A	0.7186
1828	H	A	-1.1109
1829	E	A	-1.7223
1830	P	A	-0.7322
1831	V	A	0.9834
1832	G	A	0.6058
1833	S	A	0.7455
1834	L	A	1.2464
1835	T	A	0.4908
1836	P	A	0.0094
1837	A	A	0.1879
1838	P	A	0.5157
1839	V	A	1.2594
1840	P	A	-0.0402
1841	Q	A	-0.7366
1842	P	A	-0.6061
1843	L	A	0.2736
1844	D	A	-1.2373
1845	P	A	-0.9474
1846	A	A	-0.5760
1847	P	A	0.1037
1848	A	A	0.7763
1849	V	A	1.6642
1850	T	A	0.2911
1851	P	A	-0.8196
1852	E	A	-1.9736
1853	A	A	-1.1821
1854	S	A	-0.5046
1855	H	A	-0.1440
1856	L	A	1.1827
1857	L	A	0.8221
1858	E	A	-1.8921
1859	D	A	-2.7054
1860	P	A	-2.6465
1861	D	A	-3.9167
1862	E	A	-4.0846
1863	E	A	-3.4903
1864	T	A	-2.4673
1865	S	A	-2.3799
1866	Q	A	-2.8604
1867	A	A	-1.6267
1868	V	A	-1.4033
1869	K	A	-2.8655
1870	A	A	-1.6837
1871	L	A	-1.4603
1872	R	A	-3.3978
1873	E	A	-3.1232
1874	M	A	-1.1995
1875	A	A	-1.4932
1876	D	A	-2.5802
1877	T	A	-0.5651
1878	V	A	1.1369
1879	I	A	-0.4785
1880	P	A	-1.6795
1881	Q	A	-3.0647
1882	K	A	-3.6259
1883	E	A	-3.2917
1884	E	A	-3.0448
1885	A	A	-1.4557
1886	A	A	-0.5784
1887	I	A	0.8012
1888	C	A	0.2892
1889	G	A	-0.4653
1890	Q	A	-0.7163
1891	M	A	-0.2119
1892	D	A	-1.3197
1893	L	A	0.2847
1894	S	A	-0.4569
1895	H	A	-1.1455
1896	P	A	-1.2737
1897	P	A	-1.2365
1898	P	A	-1.8310
1899	R	A	-2.9055
1900	G	A	-2.5511
1901	H	A	-2.4856
1902	L	A	-1.6094
1903	D	A	-2.8867
1904	E	A	-2.9277
1905	L	A	-1.0117
1906	T	A	-1.1481
1907	T	A	-1.4447
1908	T	A	-0.7370
1909	L	A	-0.7123
1910	E	A	-2.2625
1911	S	A	-1.3888
1912	M	A	-0.7150
1913	T	A	-1.2576
1914	E	A	-2.5238
1915	D	A	-2.1548
1916	L	A	-0.1842
1917	N	A	-1.1034
1918	L	A	0.0613
1919	D	A	-1.2951
1920	S	A	-0.6425
1921	P	A	-0.2669
1922	L	A	-0.0696
1923	T	A	-0.8856
1924	P	A	-1.5621
1925	E	A	-2.6165
1926	L	A	-1.2748
1927	N	A	-2.1313
1928	E	A	-2.9560
1929	I	A	-1.5589
1930	L	A	-1.1932
1931	D	A	-2.6552
1932	T	A	-1.4981
1933	F	A	-0.6320
1934	L	A	-1.0456
1935	N	A	-2.1043
1936	D	A	-2.1817
1937	E	A	-2.1318
1938	C	A	-0.8279
1939	L	A	-0.4683
1940	L	A	-0.3479
1941	H	A	-0.7328
1942	A	A	0.1566
1943	M	A	0.6207
1944	H	A	0.5262
1945	I	A	1.5242
1946	S	A	0.5034
1947	T	A	0.4269
1948	G	A	0.7816
1949	L	A	2.1290
1950	S	A	1.4500
1951	I	A	2.6904
1952	F	A	2.3357
1953	D	A	0.0704
1954	T	A	0.7103
1955	S	A	0.7357
1956	L	A	2.2041
1957	F	A	2.4007