Project name: notch4

Chain sequence(s)	A: MQPPSLLLLLLLLLLLCVSVVRPRGLLCGSFPEPCANGGTCLSLSLGQGTCQCAPGFLGETCQFPDPCQNAQLCQNGGSCQALLPAPLGLPSSPSPLTPSFLCTCLPGFTGERCQAKLEDPCPPSFCSKRGRCHIQASGRPQCSCMPGWTGEQCQLRDFCSANPCVNGGVCLATYPQIQCHCPPGFEGHACERDVNECFQDPGPCPKGTSCHNTLGSFQCLCPVGQEGPRCELRAGPCPPRGCSNGGTCQLMPEKDSTFHLCLCPPGFIGPDCEVNPDNCVSHQCQNGGTCQDGLDTYTCLCPETWTGWDCSEDVDECETQGPPHCRNGGTCQNSAGSFHCVCVSGWGGTSCEENLDDCIAATCAPGSTCIDRVGSFSCLCPPGRTGLLCHLEDMCLSQPCHGDAQCSTNPLTGSTLCLCQPGYSGPTCHQDLDECLMAQQGPSPCEHGGSCLNTPGSFNCLCPPGYTGSRCEADHNECLSQPCHPGSTCLDLLATFHCLCPPGLEGQLCEVETNECASAPCLNHADCHDLLNGFQCICLPGFSGTRCEEDIDECRSSPCANGGQCQDQPGAFHCKCLPGFEGPRCQTEVDECLSDPCPVGASCLDLPGAFFCLCPSGFTGQLCEVPLCAPNLCQPKQICKDQKDKANCLCPDGSPGCAPPEDNCTCHHGHCQRSSCVCDVGWTGPECEAELGGCISAPCAHGGTCYPQPSGYNCTCPTGYTGPTCSEEMTACHSGPCLNGGSCNPSPGGYYCTCPPSHTGPQCQTSTDYCVSAPCFNGGTCVNRPGTFSCLCAMGFQGPRCEGKLRPSCADSPCRNRATCQDSPQGPRCLCPTGYTGGSCQTLMDLCAQKPCPRNSHCLQTGPSFHCLCLQGWTGPLCNLPLSSCQKAALSQGIDVSSLCHNGGLCVDSGPSYFCHCPPGFQGSLCQDHVNPCESRPCQNGATCMAQPSGYLCQCAPGYDGQNCSKELDACQSQPCHNHGTCTPKPGGFHCACPPGFVGLRCEGDVDECLDQPCHPTGTAACHSLANAFYCQCLPGHTGQWCEVEIDPCHSQPCFHGGTCEATAGSPLGFICHCPKGFEGPTCSHRAPSCGFHHCHHGGLCLPSPKPGFPPRCACLSGYGGPDCLTPPAPKGCGPPSPCLYNGSCSETTGLGGPGFRCSCPHSSPGPRCQKPGAKGCEGRSGDGACDAGCSGPGGNWDGGDCSLGVPDPWKGCPSHSRCWLLFRDGQCHPQCDSEECLFDGYDCETPPACTPAYDQYCHDHFHNGHCEKGCNTAECGWDGGDCRPEDGDPEWGPSLALLVVLSPPALDQQLFALARVLSLTLRVGLWVRKDRDGRDMVYPYPGARAEEKLGGTRDPTYQERAAPQTQPLGKETDSLSAGFVVVMGVDLSRCGPDHPASRCPWDPGLLLRFLAAMAAVGALEPLLPGPLLAVHPHAGTAPPANQLPWPVLCSPVAGVILLALGALLVLQLIRRRRREHGALWLPPGFTRRPRTQSAPHRRRPPLGEDSIGLKALKPKAEVDEDGVVMCSGPEEGEEVGQAEETGPPSTCQLWSLSGGCGALPQAAMLTPPQESEMEAPDLDTRGPDGVTPLMSAVCCGEVQSGTFQGAWLGCPEPWEPLLDGGACPQAHTVGTGETPLHLAARFSRPTAARRLLEAGANPNQPDRAGRTPLHAAVAADAREVCQLLLRSRQTAVDARTEDGTTPLMLAARLAVEDLVEELIAAQADVGARDKWGKTALHWAAAVNNARAARSLLQAGADKDAQDNREQTPLFLAAREGAVEVAQLLLGLGAARELRDQAGLAPADVAHQRNHWDLLTLLEGAGPPEARHKATPGREAGPFPRARTVSVSVPPHGGGALPRCRTLSAGAGPRGGGACLQARTWSVDLAARGGGAYSHCRSLSGVGAGGGPTPRGRRFSAGMRGPRPNPAIMRGRYGVAAGRGGRVSTDDWPCDWVALGACGSASNIPIPPPCLTPSPERGSPQLDCGPPALQEMPINQGGEGKK
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]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:03)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:23:52)
[INFO]       Main:     Simulation completed successfully.                                          (00:25:02)

• Minimal score value: -4.7299
• Maximal score value: 5.0459
• Average score: -0.6722
• Total score value: -1346.3803

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	0.3323
2	Q	A	-0.7892
3	P	A	-0.7830
4	P	A	-0.1938
5	S	A	0.9738
6	L	A	3.1397
7	L	A	3.9664
8	L	A	4.5391
9	L	A	4.8004
10	L	A	5.0301
11	L	A	5.0459
12	L	A	4.7837
13	L	A	4.5679
14	L	A	4.1981
15	L	A	3.9746
16	L	A	3.4651
17	C	A	2.6478
18	V	A	2.7176
19	S	A	2.0884
20	V	A	2.5841
21	V	A	1.6415
22	R	A	-0.6356
23	P	A	-2.0457
24	R	A	-2.8314
25	G	A	-1.6019
26	L	A	-0.1611
27	L	A	1.5897
28	C	A	0.8643
29	G	A	0.4690
30	S	A	0.5751
31	F	A	1.4593
32	P	A	-0.2848
33	E	A	-1.7091
34	P	A	-0.4956
35	C	A	0.0000
36	A	A	-1.6804
37	N	A	-1.3737
38	G	A	-1.2182
39	G	A	-0.9928
40	T	A	-0.6071
41	C	A	0.2560
42	L	A	0.5584
43	S	A	0.5950
44	L	A	0.8266
45	S	A	0.5884
46	L	A	1.1072
47	G	A	0.1665
48	Q	A	-0.1566
49	G	A	0.0000
50	T	A	-0.2683
51	C	A	-0.5182
52	Q	A	-1.1070
53	C	A	-0.8935
54	A	A	-0.5093
55	P	A	-0.6272
56	G	A	-0.6634
57	F	A	-0.4525
58	L	A	-0.3488
59	G	A	-1.3191
60	E	A	-2.4128
61	T	A	0.0000
62	C	A	0.0000
63	Q	A	-1.7990
64	F	A	0.0000
65	P	A	-0.4445
66	D	A	-0.8558
67	P	A	-0.6049
68	C	A	-1.1346
69	Q	A	-1.9845
70	N	A	-2.1656
71	A	A	-1.5771
72	Q	A	-2.1836
73	L	A	-1.6204
74	C	A	0.0000
75	Q	A	-2.7404
76	N	A	-2.0818
77	G	A	-1.1953
78	G	A	-0.9487
79	S	A	-0.4904
80	C	A	-0.7190
81	Q	A	-0.4554
82	A	A	0.4662
83	L	A	1.2105
84	L	A	1.5313
85	P	A	0.7971
86	A	A	0.4859
87	P	A	0.3511
88	L	A	1.4757
89	G	A	1.0606
90	L	A	1.4956
91	P	A	0.3714
92	S	A	-0.2015
93	S	A	-0.5342
94	P	A	-0.4187
95	S	A	-0.1757
96	P	A	0.3065
97	L	A	1.2684
98	T	A	0.8381
99	P	A	0.8832
100	S	A	0.5128
101	F	A	0.3274
102	L	A	0.0993
103	C	A	0.0000
104	T	A	-0.1414
105	C	A	-0.2079
106	L	A	0.6494
107	P	A	0.3007
108	G	A	-0.4491
109	F	A	-0.7759
110	T	A	-1.3321
111	G	A	-1.7955
112	E	A	-2.3816
113	R	A	-2.5410
114	C	A	0.0000
115	Q	A	-2.6723
116	A	A	-1.9352
117	K	A	-1.9464
118	L	A	-1.0215
119	E	A	-2.5407
120	D	A	-2.4970
121	P	A	-1.3900
122	C	A	-1.4319
123	P	A	-1.4332
124	P	A	-1.5950
125	S	A	-1.0470
126	F	A	-0.9101
127	C	A	0.0000
128	S	A	-1.9232
129	K	A	-2.6936
130	R	A	-2.7522
131	G	A	-2.3213
132	R	A	-2.9624
133	C	A	-1.6778
134	H	A	-1.6534
135	I	A	-0.6259
136	Q	A	-1.2506
137	A	A	-0.6700
138	S	A	-1.0146
139	G	A	-1.5419
140	R	A	-2.3421
141	P	A	-1.8259
142	Q	A	-2.0641
143	C	A	-1.6116
144	S	A	-1.4714
145	C	A	-1.1467
146	M	A	-1.0897
147	P	A	-0.4452
148	G	A	0.0000
149	W	A	-0.9244
150	T	A	-0.8828
151	G	A	-1.4112
152	E	A	-2.3429
153	Q	A	-2.2066
154	C	A	0.0000
155	Q	A	-1.6308
156	L	A	-0.4646
157	R	A	-1.1582
158	D	A	-0.1743
159	F	A	0.4496
160	C	A	0.2456
161	S	A	-0.5239
162	A	A	-0.4890
163	N	A	-0.7330
164	P	A	-0.0476
165	C	A	0.0000
166	V	A	0.3788
167	N	A	-0.3167
168	G	A	-0.2031
169	G	A	-0.0749
170	V	A	1.3532
171	C	A	0.9848
172	L	A	1.1561
173	A	A	0.6615
174	T	A	0.5235
175	Y	A	1.0822
176	P	A	0.1299
177	Q	A	-0.4390
178	I	A	0.4191
179	Q	A	-0.7001
180	C	A	-0.5369
181	H	A	-0.7791
182	C	A	-0.9032
183	P	A	-0.4486
184	P	A	-0.6556
185	G	A	-0.5915
186	F	A	-1.4449
187	E	A	-2.9960
188	G	A	-2.2165
189	H	A	-1.9118
190	A	A	-1.2365
191	C	A	0.0000
192	E	A	-2.0371
193	R	A	-2.5634
194	D	A	-1.5345
195	V	A	-0.7915
196	N	A	-0.6030
197	E	A	-0.8763
198	C	A	-0.2820
199	F	A	0.6544
200	Q	A	-1.4184
201	D	A	-2.2244
202	P	A	-1.5282
203	G	A	-1.2575
204	P	A	-1.0797
205	C	A	-1.1698
206	P	A	-1.5773
207	K	A	-2.0669
208	G	A	-1.2137
209	T	A	-0.8883
210	S	A	-0.5010
211	C	A	-0.5659
212	H	A	-1.1408
213	N	A	-0.7042
214	T	A	-0.0290
215	L	A	1.0377
216	G	A	-0.1220
217	S	A	-0.1931
218	F	A	-0.5964
219	Q	A	-1.2088
220	C	A	0.0000
221	L	A	0.3159
222	C	A	-0.3683
223	P	A	0.3626
224	V	A	1.2266
225	G	A	-0.4309
226	Q	A	-1.8967
227	E	A	-2.5701
228	G	A	-2.1409
229	P	A	-1.7169
230	R	A	-2.5148
231	C	A	0.0000
232	E	A	-2.7454
233	L	A	-1.4477
234	R	A	-2.2880
235	A	A	-1.1872
236	G	A	-0.8001
237	P	A	-0.4120
238	C	A	-0.1659
239	P	A	-0.8567
240	P	A	-1.2254
241	R	A	-2.0656
242	G	A	-1.5501
243	C	A	-1.4953
244	S	A	-1.8691
245	N	A	-1.9076
246	G	A	-0.9537
247	G	A	-0.7647
248	T	A	-0.1102
249	C	A	0.0555
250	Q	A	0.1749
251	L	A	0.5899
252	M	A	0.2232
253	P	A	-1.2558
254	E	A	-2.7619
255	K	A	-3.4936
256	D	A	-2.9189
257	S	A	-1.2974
258	T	A	0.2210
259	F	A	1.4116
260	H	A	0.6818
261	L	A	0.9212
262	C	A	0.3713
263	L	A	0.9000
264	C	A	0.3797
265	P	A	0.0635
266	P	A	-0.1260
267	G	A	0.0000
268	F	A	0.4150
269	I	A	1.6933
270	G	A	0.1457
271	P	A	-0.5311
272	D	A	-1.5717
273	C	A	0.0000
274	E	A	-1.5754
275	V	A	0.1363
276	N	A	-0.5743
277	P	A	-0.9512
278	D	A	-2.0601
279	N	A	-1.4830
280	C	A	-0.5620
281	V	A	0.9882
282	S	A	-0.1663
283	H	A	-1.2120
284	Q	A	-1.5885
285	C	A	-1.0686
286	Q	A	-1.9908
287	N	A	-1.8917
288	G	A	-1.0025
289	G	A	-0.7742
290	T	A	-0.4310
291	C	A	-0.3338
292	Q	A	-1.2019
293	D	A	-1.6168
294	G	A	-1.0655
295	L	A	-0.6012
296	D	A	-1.9092
297	T	A	-1.2052
298	Y	A	-0.6273
299	T	A	0.0277
300	C	A	0.1414
301	L	A	0.8310
302	C	A	-0.2239
303	P	A	-0.8399
304	E	A	-1.6915
305	T	A	-1.3287
306	W	A	-1.3111
307	T	A	-0.8945
308	G	A	-0.2628
309	W	A	0.7697
310	D	A	0.0000
311	C	A	0.0000
312	S	A	-1.3769
313	E	A	-2.2688
314	D	A	-1.9643
315	V	A	-1.4388
316	D	A	-1.6573
317	E	A	0.0000
318	C	A	-1.4632
319	E	A	-2.3645
320	T	A	-1.7224
321	Q	A	-1.8157
322	G	A	-1.3310
323	P	A	-1.0771
324	P	A	-1.6358
325	H	A	-1.1568
326	C	A	0.0000
327	R	A	-2.8581
328	N	A	-2.4493
329	G	A	-1.2294
330	G	A	-0.3211
331	T	A	0.1040
332	C	A	-0.6456
333	Q	A	-1.0489
334	N	A	-1.3485
335	S	A	-0.7454
336	A	A	-0.5663
337	G	A	-0.9322
338	S	A	-0.7629
339	F	A	-0.6255
340	H	A	-0.6348
341	C	A	0.1920
342	V	A	1.7963
343	C	A	0.7605
344	V	A	1.4247
345	S	A	0.9312
346	G	A	-0.0823
347	W	A	-0.2699
348	G	A	-0.4426
349	G	A	-1.2512
350	T	A	-0.7400
351	S	A	-1.2035
352	C	A	0.0000
353	E	A	-2.3466
354	E	A	-2.4728
355	N	A	-1.6230
356	L	A	-0.3426
357	D	A	-0.9119
358	D	A	-0.4966
359	C	A	0.4172
360	I	A	1.6524
361	A	A	0.7430
362	A	A	0.6156
363	T	A	0.5140
364	C	A	0.6624
365	A	A	-0.0451
366	P	A	-0.5505
367	G	A	-0.4036
368	S	A	0.2402
369	T	A	0.7643
370	C	A	1.0364
371	I	A	0.5492
372	D	A	-0.8351
373	R	A	-1.4200
374	V	A	0.0739
375	G	A	-0.0873
376	S	A	-0.4561
377	F	A	0.3061
378	S	A	0.7400
379	C	A	1.6559
380	L	A	2.0983
381	C	A	0.8058
382	P	A	-0.0364
383	P	A	-0.3360
384	G	A	-0.6668
385	R	A	-1.1106
386	T	A	-0.3567
387	G	A	0.4457
388	L	A	1.9678
389	L	A	0.9842
390	C	A	0.0000
391	H	A	-1.0891
392	L	A	-0.9144
393	E	A	-2.0881
394	D	A	-0.9571
395	M	A	0.2113
396	C	A	0.3117
397	L	A	0.8845
398	S	A	0.0958
399	Q	A	-0.7983
400	P	A	-0.4035
401	C	A	-0.9522
402	H	A	-1.7225
403	G	A	-1.9362
404	D	A	-2.4769
405	A	A	-1.5647
406	Q	A	-1.2815
407	C	A	-0.1364
408	S	A	0.2241
409	T	A	0.2538
410	N	A	0.4113
411	P	A	0.4378
412	L	A	1.5494
413	T	A	0.3614
414	G	A	-0.3276
415	S	A	0.1162
416	T	A	0.5185
417	L	A	1.2197
418	C	A	0.0000
419	L	A	0.3529
420	C	A	-0.4422
421	Q	A	-1.2172
422	P	A	-0.4677
423	G	A	0.0000
424	Y	A	-0.9123
425	S	A	-0.6798
426	G	A	0.0000
427	P	A	-0.0547
428	T	A	-0.4608
429	C	A	0.0000
430	H	A	-1.6614
431	Q	A	-1.2979
432	D	A	-1.4305
433	L	A	-0.2109
434	D	A	-0.1983
435	E	A	0.0000
436	C	A	0.5324
437	L	A	1.2402
438	M	A	0.5619
439	A	A	-0.2738
440	Q	A	-1.1741
441	Q	A	-1.6016
442	G	A	-1.1474
443	P	A	-1.0364
444	S	A	-0.7203
445	P	A	0.0000
446	C	A	0.0000
447	E	A	-1.7726
448	H	A	-1.2164
449	G	A	-0.7386
450	G	A	-0.3353
451	S	A	0.3606
452	C	A	0.4807
453	L	A	0.6677
454	N	A	-0.3829
455	T	A	-0.6127
456	P	A	-0.9603
457	G	A	-1.1894
458	S	A	-0.7108
459	F	A	-0.2735
460	N	A	-0.6619
461	C	A	0.0290
462	L	A	1.4014
463	C	A	0.0422
464	P	A	-0.0878
465	P	A	-0.1742
466	G	A	-0.2737
467	Y	A	-0.6131
468	T	A	-0.8972
469	G	A	-1.3275
470	S	A	-0.9680
471	R	A	-1.3517
472	C	A	0.0000
473	E	A	-1.8534
474	A	A	-1.1289
475	D	A	-1.0208
476	H	A	-0.8252
477	N	A	-0.5199
478	E	A	-0.5321
479	C	A	-0.1738
480	L	A	0.6384
481	S	A	-0.4617
482	Q	A	-1.0844
483	P	A	-0.5966
484	C	A	0.0000
485	H	A	-1.0647
486	P	A	-0.9596
487	G	A	-0.6269
488	S	A	-0.3195
489	T	A	-0.1286
490	C	A	0.0603
491	L	A	-0.1209
492	D	A	-0.9581
493	L	A	0.4852
494	L	A	1.2836
495	A	A	0.2932
496	T	A	0.1027
497	F	A	-0.1547
498	H	A	-0.4912
499	C	A	0.0000
500	L	A	0.5029
501	C	A	-0.6609
502	P	A	-0.3637
503	P	A	-0.8631
504	G	A	-1.2470
505	L	A	0.0000
506	E	A	-2.4512
507	G	A	-1.7920
508	Q	A	-1.5769
509	L	A	-0.8545
510	C	A	0.0000
511	E	A	-1.4695
512	V	A	-1.0227
513	E	A	-2.2396
514	T	A	-1.9808
515	N	A	-2.0421
516	E	A	-1.7166
517	C	A	-1.0694
518	A	A	-0.6770
519	S	A	-0.5325
520	A	A	-0.4098
521	P	A	0.0000
522	C	A	-0.8295
523	L	A	-0.8095
524	N	A	-1.8889
525	H	A	-1.2529
526	A	A	-1.0596
527	D	A	-1.5390
528	C	A	-1.0782
529	H	A	-0.9813
530	D	A	-1.4523
531	L	A	0.2988
532	L	A	0.4887
533	N	A	-1.0068
534	G	A	-0.5736
535	F	A	-0.6170
536	Q	A	-0.8198
537	C	A	-0.4886
538	I	A	0.5074
539	C	A	-0.1627
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541	P	A	0.2525
542	G	A	0.0000
543	F	A	-1.1102
544	S	A	-1.3809
545	G	A	-1.7140
546	T	A	-1.0756
547	R	A	-1.6067
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549	E	A	-2.6425
550	E	A	-3.3588
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552	I	A	-1.5376
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559	P	A	0.0000
560	C	A	-1.5761
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562	N	A	-1.4687
563	G	A	-1.1358
564	G	A	-1.7506
565	Q	A	-2.0232
566	C	A	-2.2664
567	Q	A	-2.4917
568	D	A	-3.2679
569	Q	A	-2.6489
570	P	A	-1.9254
571	G	A	-1.2610
572	A	A	-1.1665
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574	H	A	-2.2649
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576	K	A	-2.1282
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579	P	A	-0.1628
580	G	A	-0.7512
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584	P	A	-1.7573
585	R	A	-2.6737
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587	Q	A	-2.3251
588	T	A	-2.3949
589	E	A	-2.8643
590	V	A	-1.5480
591	D	A	-1.8458
592	E	A	-1.0132
593	C	A	-0.2789
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596	D	A	-1.2440
597	P	A	-0.2873
598	C	A	0.1700
599	P	A	0.3258
600	V	A	1.2301
601	G	A	0.4846
602	A	A	1.1041
603	S	A	0.7247
604	C	A	0.8342
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606	D	A	-1.0257
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609	G	A	-1.0130
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611	F	A	0.4887
612	F	A	1.5337
613	C	A	0.0000
614	L	A	1.7968
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616	P	A	0.3604
617	S	A	-0.5225
618	G	A	-0.9059
619	F	A	0.7078
620	T	A	0.6157
621	G	A	0.0428
622	Q	A	-0.2399
623	L	A	0.2754
624	C	A	0.0000
625	E	A	-1.2688
626	V	A	-0.1418
627	P	A	-0.5529
628	L	A	-1.2786
629	C	A	-1.0176
630	A	A	-0.1223
631	P	A	-0.2290
632	N	A	-0.5134
633	L	A	0.8370
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635	Q	A	-0.9507
636	P	A	-1.3602
637	K	A	-1.8121
638	Q	A	-0.0495
639	I	A	1.0609
640	C	A	-0.2969
641	K	A	-2.5978
642	D	A	-3.9934
643	Q	A	-4.0079
644	K	A	-3.7819
645	D	A	-3.8689
646	K	A	-3.6556
647	A	A	-2.2929
648	N	A	-0.6565
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652	P	A	-0.5294
653	D	A	-2.0436
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655	S	A	-1.0174
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662	E	A	-3.0878
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664	N	A	-2.7822
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667	C	A	-1.4273
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674	R	A	-3.0899
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680	D	A	-1.0037
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685	G	A	-1.3391
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687	E	A	-1.9637
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689	E	A	-2.6506
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691	E	A	-1.6377
692	L	A	-0.1006
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694	G	A	0.5140
695	C	A	1.3516
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700	C	A	-0.1248
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702	H	A	-1.4955
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705	T	A	0.0563
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707	Y	A	1.1392
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709	Q	A	-0.4038
710	P	A	-0.6474
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713	Y	A	0.6238
714	N	A	-0.1854
715	C	A	0.1064
716	T	A	0.0163
717	C	A	-0.3858
718	P	A	-0.2922
719	T	A	-0.3516
720	G	A	-0.7711
721	Y	A	-1.1780
722	T	A	-1.1666
723	G	A	-0.9509
724	P	A	-0.6324
725	T	A	-0.6134
726	C	A	0.0000
727	S	A	-1.6979
728	E	A	-2.7352
729	E	A	-2.6251
730	M	A	-0.9236
731	T	A	-0.5069
732	A	A	-0.1660
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734	H	A	-1.2031
735	S	A	-0.7481
736	G	A	-0.6369
737	P	A	-0.0956
738	C	A	-0.0060
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740	N	A	-1.2077
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745	N	A	-0.0242
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755	C	A	-0.1517
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759	H	A	-0.9807
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769	D	A	-1.3270
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772	V	A	1.3935
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778	N	A	-0.7252
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784	N	A	-1.1509
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1099	G	A	-0.0675
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1160	S	A	-1.1155
1161	C	A	-1.0459
1162	P	A	-0.8924
1163	H	A	-1.3644
1164	S	A	-1.0899
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1166	P	A	-1.5304
1167	G	A	-1.6223
1168	P	A	-1.5559
1169	R	A	-1.8645
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1171	Q	A	-1.8523
1172	K	A	-2.5552
1173	P	A	-1.8760
1174	G	A	-1.9721
1175	A	A	-2.0891
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1177	G	A	-2.3612
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1179	E	A	-2.7503
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1190	G	A	-1.1346
1191	C	A	0.0000
1192	S	A	-0.6349
1193	G	A	-0.5135
1194	P	A	-1.2057
1195	G	A	-1.1442
1196	G	A	-1.7867
1197	N	A	-1.8235
1198	W	A	0.0000
1199	D	A	0.0000
1200	G	A	-1.6091
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1206	G	A	-0.6900
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1208	P	A	-1.2312
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1212	K	A	-2.4495
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1216	S	A	-1.4985
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1231	P	A	-1.4224
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1283	D	A	-1.3195
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1300	L	A	0.7147
1301	V	A	0.0000
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1304	S	A	-0.5648
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1309	D	A	-2.4263
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1330	R	A	-1.4050
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1335	G	A	-3.3937
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1371	G	A	-0.9507
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1400	R	A	-2.2987
1401	C	A	-1.3060
1402	P	A	-1.2465
1403	W	A	-0.9058
1404	D	A	-1.7116
1405	P	A	-1.1552
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1407	L	A	-1.0734
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1409	L	A	-0.4477
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1416	A	A	-0.1999
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1420	A	A	-0.6143
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1433	H	A	-1.0756
1434	P	A	-1.1039
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1443	N	A	-1.6355
1444	Q	A	-1.1982
1445	L	A	0.8617
1446	P	A	0.8665
1447	W	A	1.5885
1448	P	A	1.3615
1449	V	A	2.7288
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1451	C	A	1.9009
1452	S	A	0.7606
1453	P	A	1.0250
1454	V	A	2.6098
1455	A	A	2.2968
1456	G	A	2.5117
1457	V	A	3.9602
1458	I	A	4.0826
1459	L	A	4.2352
1460	L	A	4.0439
1461	A	A	3.5779
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1467	V	A	3.8989
1468	L	A	2.8827
1469	Q	A	1.1364
1470	L	A	2.0685
1471	I	A	1.7874
1472	R	A	-1.6198
1473	R	A	-3.3713
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1476	R	A	-4.7299
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1478	H	A	-2.2815
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1480	A	A	0.3941
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1482	W	A	2.5219
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1487	F	A	1.4582
1488	T	A	-0.5455
1489	R	A	-2.4550
1490	R	A	-3.3372
1491	P	A	-2.6016
1492	R	A	-2.7306
1493	T	A	-1.9745
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1495	S	A	-1.2662
1496	A	A	-0.9810
1497	P	A	-1.4905
1498	H	A	-2.8190
1499	R	A	-3.8021
1500	R	A	-3.9807
1501	R	A	-3.3886
1502	P	A	-1.5540
1503	P	A	-0.8522
1504	L	A	-0.4103
1505	G	A	-1.4041
1506	E	A	-2.7951
1507	D	A	-2.7089
1508	S	A	-0.5221
1509	I	A	1.3079
1510	G	A	0.9098
1511	L	A	0.9315
1512	K	A	-0.2719
1513	A	A	0.4305
1514	L	A	0.6111
1515	K	A	-1.5074
1516	P	A	-1.7086
1517	K	A	-2.3577
1518	A	A	-1.3215
1519	E	A	-1.7344
1520	V	A	-0.5418
1521	D	A	-2.6850
1522	E	A	-3.4896
1523	D	A	-2.9556
1524	G	A	-0.4888
1525	V	A	2.3561
1526	V	A	3.0102
1527	M	A	2.5906
1528	C	A	1.8543
1529	S	A	0.9343
1530	G	A	0.0649
1531	P	A	-1.2136
1532	E	A	-2.6078
1533	E	A	-3.3967
1534	G	A	-3.2437
1535	E	A	-3.0996
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1537	V	A	0.1044
1538	G	A	-0.1616
1539	Q	A	-1.2100
1540	A	A	-1.6413
1541	E	A	-2.8737
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1543	T	A	-1.7483
1544	G	A	-1.1823
1545	P	A	-0.6036
1546	P	A	-0.3105
1547	S	A	-0.0612
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1549	C	A	0.4177
1550	Q	A	0.3253
1551	L	A	1.4420
1552	W	A	1.7082
1553	S	A	1.2555
1554	L	A	1.7262
1555	S	A	0.5166
1556	G	A	-0.2581
1557	G	A	-0.2958
1558	C	A	0.4758
1559	G	A	0.0093
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1564	A	A	-1.0303
1565	A	A	-0.1880
1566	M	A	1.5079
1567	L	A	1.9559
1568	T	A	0.6844
1569	P	A	-0.4304
1570	P	A	-1.2321
1571	Q	A	-2.3221
1572	E	A	-2.8374
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1579	D	A	-2.4046
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1584	G	A	-1.6692
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1586	D	A	-1.6098
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1594	A	A	-0.1006
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1596	C	A	0.1195
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1598	G	A	-0.5366
1599	E	A	-1.2949
1600	V	A	0.3364
1601	Q	A	-1.0877
1602	S	A	-0.6596
1603	G	A	-0.4043
1604	T	A	0.4043
1605	F	A	1.1049
1606	Q	A	-0.5473
1607	G	A	-0.3313
1608	A	A	0.4449
1609	W	A	1.8784
1610	L	A	2.0605
1611	G	A	0.8249
1612	C	A	0.8352
1613	P	A	-0.1573
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1615	P	A	-0.6495
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1617	E	A	-1.0455
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1619	L	A	-0.7293
1620	L	A	-1.0424
1621	D	A	-2.1112
1622	G	A	-1.3719
1623	G	A	-1.3462
1624	A	A	0.0000
1625	C	A	-0.1726
1626	P	A	-0.3730
1627	Q	A	-0.4907
1628	A	A	0.0000
1629	H	A	-0.3061
1630	T	A	0.0000
1631	V	A	0.5344
1632	G	A	-0.3020
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1634	G	A	-0.6908
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1643	R	A	-1.0732
1644	F	A	-0.3685
1645	S	A	-1.3036
1646	R	A	-1.2846
1647	P	A	-1.6501
1648	T	A	-1.3947
1649	A	A	0.0000
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1651	R	A	-3.1420
1652	R	A	-2.4237
1653	L	A	0.0000
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1655	E	A	-3.0558
1656	A	A	-1.7718
1657	G	A	-1.2493
1658	A	A	0.0000
1659	N	A	-0.9802
1660	P	A	0.0000
1661	N	A	-0.8883
1662	Q	A	-0.7845
1663	P	A	-1.5626
1664	D	A	0.0000
1665	R	A	-2.1555
1666	A	A	-2.0453
1667	G	A	-2.3084
1668	R	A	-1.9124
1669	T	A	0.0000
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1672	H	A	0.0000
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1676	A	A	-0.5141
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1678	D	A	-2.1943
1679	A	A	0.0000
1680	R	A	-2.2443
1681	E	A	-2.7577
1682	V	A	0.0000
1683	C	A	0.0000
1684	Q	A	-1.5615
1685	L	A	-1.5619
1686	L	A	0.0000
1687	L	A	-1.4694
1688	R	A	-2.4695
1689	S	A	-2.4054
1690	R	A	-3.2200
1691	Q	A	-2.6926
1692	T	A	-1.5582
1693	A	A	-0.9474
1694	V	A	-1.0308
1695	D	A	-1.5134
1696	A	A	-1.3388
1697	R	A	-3.1309
1698	T	A	-2.9374
1699	E	A	-3.4779
1700	D	A	-2.9371
1701	G	A	-2.7913
1702	T	A	0.0000
1703	T	A	0.0000
1704	P	A	0.0000
1705	L	A	0.0000
1706	M	A	0.0000
1707	L	A	0.3181
1708	A	A	0.0000
1709	A	A	0.0000
1710	R	A	0.1446
1711	L	A	0.6716
1712	A	A	0.0694
1713	V	A	-0.5278
1714	E	A	-0.9250
1715	D	A	-1.2018
1716	L	A	0.0000
1717	V	A	0.0000
1718	E	A	-0.6639
1719	E	A	-0.8180
1720	L	A	0.0000
1721	I	A	-0.5037
1722	A	A	-0.3438
1723	A	A	-0.9741
1724	Q	A	-1.4466
1725	A	A	0.0000
1726	D	A	-2.0299
1727	V	A	-1.3996
1728	G	A	-1.6228
1729	A	A	-1.6599
1730	R	A	-2.3438
1731	D	A	0.0000
1732	K	A	-2.8348
1733	W	A	-1.5129
1734	G	A	-1.8796
1735	K	A	-1.5380
1736	T	A	0.0000
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1738	L	A	0.0000
1739	H	A	0.0000
1740	W	A	0.2054
1741	A	A	0.0000
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1743	A	A	-0.3520
1744	V	A	0.3869
1745	N	A	-0.8142
1746	N	A	0.0000
1747	A	A	-1.3654
1748	R	A	-1.6673
1749	A	A	0.0000
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1751	R	A	-2.3259
1752	S	A	-1.6718
1753	L	A	0.0000
1754	L	A	-1.5988
1755	Q	A	-1.8527
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1757	G	A	-1.5196
1758	A	A	-1.8950
1759	D	A	-2.3362
1760	K	A	-1.5419
1761	D	A	-1.3535
1762	A	A	0.0000
1763	Q	A	-1.8597
1764	D	A	0.0000
1765	N	A	-3.0048
1766	R	A	-3.2340
1767	E	A	-2.9784
1768	Q	A	0.0000
1769	T	A	0.0000
1770	P	A	0.0000
1771	L	A	0.0000
1772	F	A	0.0000
1773	L	A	0.0000
1774	A	A	0.0000
1775	A	A	0.0000
1776	R	A	-1.9315
1777	E	A	-2.2254
1778	G	A	-1.5623
1779	A	A	0.0000
1780	V	A	-1.3169
1781	E	A	-2.0079
1782	V	A	0.0000
1783	A	A	0.0000
1784	Q	A	-1.3000
1785	L	A	-1.1245
1786	L	A	0.0000
1787	L	A	-0.5976
1788	G	A	-0.4159
1789	L	A	0.0591
1790	G	A	-0.5323
1791	A	A	0.0000
1792	A	A	-1.0989
1793	R	A	-1.9716
1794	E	A	-2.2150
1795	L	A	-1.5285
1796	R	A	-2.5409
1797	D	A	-2.4428
1798	Q	A	-2.6584
1799	A	A	-1.1613
1800	G	A	-1.0910
1801	L	A	-0.9815
1802	A	A	0.0000
1803	P	A	0.0000
1804	A	A	-1.6301
1805	D	A	-1.7825
1806	V	A	0.0000
1807	A	A	0.0000
1808	H	A	-2.3127
1809	Q	A	-2.5071
1810	R	A	-2.3212
1811	N	A	-2.3095
1812	H	A	-1.6614
1813	W	A	-0.4202
1814	D	A	-1.3287
1815	L	A	0.0000
1816	L	A	0.0000
1817	T	A	-0.9222
1818	L	A	-0.6921
1819	L	A	0.0000
1820	E	A	-2.0161
1821	G	A	-1.2462
1822	A	A	-0.7195
1823	G	A	-1.1909
1824	P	A	-1.0629
1825	P	A	-1.6081
1826	E	A	-2.5835
1827	A	A	-2.2987
1828	R	A	-3.1181
1829	H	A	-2.9103
1830	K	A	-2.5545
1831	A	A	-1.1306
1832	T	A	-0.6416
1833	P	A	-0.9064
1834	G	A	-2.0782
1835	R	A	-3.0777
1836	E	A	-2.9227
1837	A	A	-1.7377
1838	G	A	-0.8386
1839	P	A	0.1920
1840	F	A	1.2573
1841	P	A	-0.4904
1842	R	A	-2.0631
1843	A	A	-2.0413
1844	R	A	-1.9729
1845	T	A	-0.4876
1846	V	A	1.6147
1847	S	A	1.5972
1848	V	A	2.3689
1849	S	A	1.6230
1850	V	A	1.9018
1851	P	A	0.1921
1852	P	A	-0.5817
1853	H	A	-1.5101
1854	G	A	-1.3854
1855	G	A	-1.1960
1856	G	A	-0.4267
1857	A	A	0.3224
1858	L	A	0.8473
1859	P	A	-0.1952
1860	R	A	-1.4098
1861	C	A	-0.9959
1862	R	A	-1.5949
1863	T	A	-0.2477
1864	L	A	0.9762
1865	S	A	0.3083
1866	A	A	0.2063
1867	G	A	-0.2814
1868	A	A	-0.4425
1869	G	A	-1.4191
1870	P	A	-2.0451
1871	R	A	-2.7001
1872	G	A	-2.2036
1873	G	A	-1.4064
1874	G	A	-0.3810
1875	A	A	0.3751
1876	C	A	1.0529
1877	L	A	1.3162
1878	Q	A	-0.6547
1879	A	A	-1.1770
1880	R	A	-1.9044
1881	T	A	-0.1351
1882	W	A	1.0571
1883	S	A	0.9004
1884	V	A	1.3687
1885	D	A	-0.1395
1886	L	A	0.9126
1887	A	A	-0.2213
1888	A	A	-1.1463
1889	R	A	-2.4165
1890	G	A	-2.0599
1891	G	A	-1.5667
1892	G	A	-0.6476
1893	A	A	0.2034
1894	Y	A	0.9428
1895	S	A	0.0422
1896	H	A	-0.9322
1897	C	A	-1.1205
1898	R	A	-1.8259
1899	S	A	-0.4464
1900	L	A	0.7120
1901	S	A	0.4439
1902	G	A	0.4697
1903	V	A	0.9737
1904	G	A	-0.3804
1905	A	A	-1.0972
1906	G	A	-2.1823
1907	G	A	-2.1627
1908	G	A	-1.9454
1909	P	A	-1.4895
1910	T	A	-1.4736
1911	P	A	-1.4762
1912	R	A	-2.8277
1913	G	A	-2.7352
1914	R	A	-3.1142
1915	R	A	-2.3072
1916	F	A	0.5494
1917	S	A	0.4030
1918	A	A	0.3206
1919	G	A	-0.3374
1920	M	A	-0.1556
1921	R	A	-1.6993
1922	G	A	-1.7411
1923	P	A	-1.8624
1924	R	A	-2.5080
1925	P	A	-2.0591
1926	N	A	-1.9232
1927	P	A	-0.8263
1928	A	A	0.8690
1929	I	A	2.2054
1930	M	A	1.0388
1931	R	A	-1.5577
1932	G	A	-2.1112
1933	R	A	-1.9841
1934	Y	A	0.2592
1935	G	A	0.6736
1936	V	A	1.8685
1937	A	A	1.0226
1938	A	A	-0.2243
1939	G	A	-1.2071
1940	R	A	-2.3752
1941	G	A	-2.0903
1942	G	A	-1.7105
1943	R	A	-1.4913
1944	V	A	0.1248
1945	S	A	-0.3186
1946	T	A	-1.2518
1947	D	A	-2.5524
1948	D	A	-2.2085
1949	W	A	-0.0894
1950	P	A	0.1724
1951	C	A	0.6519
1952	D	A	0.4386
1953	W	A	1.7268
1954	V	A	2.3901
1955	A	A	1.6688
1956	L	A	1.5398
1957	G	A	0.2581
1958	A	A	0.3858
1959	C	A	0.4011
1960	G	A	-0.2076
1961	S	A	-0.3362
1962	A	A	-0.5208
1963	S	A	-0.4249
1964	N	A	-0.3446
1965	I	A	1.5251
1966	P	A	1.3836
1967	I	A	2.0975
1968	P	A	0.8587
1969	P	A	0.2002
1970	P	A	0.2079
1971	C	A	1.3512
1972	L	A	1.7633
1973	T	A	0.4960
1974	P	A	-0.2597
1975	S	A	-0.8855
1976	P	A	-1.7195
1977	E	A	-3.1946
1978	R	A	-3.2144
1979	G	A	-1.9868
1980	S	A	-1.3123
1981	P	A	-0.6775
1982	Q	A	-0.0244
1983	L	A	1.0619
1984	D	A	-0.3313
1985	C	A	0.1477
1986	G	A	-0.7101
1987	P	A	-0.3175
1988	P	A	-0.1689
1989	A	A	0.3291
1990	L	A	0.5739
1991	Q	A	-1.0883
1992	E	A	-1.6480
1993	M	A	0.2068
1994	P	A	0.6270
1995	I	A	1.2088
1996	N	A	-0.9444
1997	Q	A	-1.7316
1998	G	A	-1.8419
1999	G	A	-1.9076
2000	E	A	-2.7983
2001	G	A	-2.5718
2002	K	A	-3.3453
2003	K	A	-2.8955