NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
16523 |
2aas   |
443 | cing | 1-original | 1 | unknown | distance | NOE | simple |
Aminoacid 1 LYS
1 PD 1 LYS PE 1 LYS 4.80
2 PG 1 LYS PE 1 LYS 5.80
3 PB 1 LYS H 2 GLU 3.90
4 HA 1 LYS H 2 GLU 2.44
5 HA 1 LYS H 2 GLU -1.94
Aminoacid 2 GLU
1 H 2 GLU PB 1 LYS 3.90
2 H 2 GLU HA 1 LYS 2.44
3 H 2 GLU HA 1 LYS -1.94
4 H 2 GLU PG 2 GLU 4.90
5 H 2 GLU Hb3 2 GLU 3.69
6 H 2 GLU Hb3 2 GLU -2.72
7 H 2 GLU Hb2 2 GLU 3.00
8 PG 2 GLU PB 2 GLU 5.80
9 HA 2 GLU Hb3 2 GLU 4.00
10 HA 2 GLU Hb2 2 GLU 3.00
11 HA 2 GLU Hg3 2 GLU 3.00
12 HA 2 GLU Hg2 2 GLU 5.00
13 HA 2 GLU H 3 THR 3.00
14 Hg2 2 GLU H 3 THR 5.00
15 HA 2 GLU CB 6 ALA 5.00
16 Hg3 2 GLU CB 6 ALA 3.80
17 Hg3 2 GLU CB 6 ALA -3.08
18 Hg2 2 GLU CB 6 ALA 3.55
19 Hg2 2 GLU CB 6 ALA -2.73
20 Hg3 2 GLU H 7 LYS 5.00
21 Hg2 2 GLU H 7 LYS 4.00
Aminoacid 3 THR
1 H 3 THR HA 2 GLU 3.00
2 H 3 THR Hg2 2 GLU 5.00
3 H 3 THR CG 3 THR 3.41
4 H 3 THR CG 3 THR -2.79
5 HA 3 THR HB 3 THR 3.00
6 HA 3 THR CG 3 THR 4.00
7 HB 3 THR CG 3 THR 5.00
8 CG 3 THR H 4 ALA 4.00
9 HB 3 THR H 4 ALA 3.00
10 HA 3 THR H 4 ALA 2.84
11 HA 3 THR H 4 ALA -2.34
12 H 3 THR CB 6 ALA 3.89
13 H 3 THR CB 6 ALA -3.11
14 H 3 THR H 7 LYS 5.45
15 H 3 THR H 7 LYS -4.29
Aminoacid 4 ALA
1 H 4 ALA CG 3 THR 4.00
2 H 4 ALA HB 3 THR 3.00
3 H 4 ALA HA 3 THR 2.84
4 H 4 ALA HA 3 THR -2.34
5 H 4 ALA CB 4 ALA 3.28
6 H 4 ALA CB 4 ALA -2.53
7 HA 4 ALA CB 4 ALA 3.04
8 HA 4 ALA CB 4 ALA -2.32
9 H 4 ALA HA 4 ALA 3.00
10 CB 4 ALA H 5 ALA 4.30
11 CB 4 ALA H 5 ALA -3.25
12 H 4 ALA H 5 ALA 4.00
13 CB 4 ALA CG1 118 VAL 7.00
14 CB 4 ALA CG2 118 VAL 5.00
15 CB 4 ALA HA 118 VAL 6.00
16 CB 4 ALA PB 7 LYS 5.90
17 HA 4 ALA PB 7 LYS 4.90
Aminoacid 5 ALA
1 H 5 ALA CB 4 ALA 4.30
2 H 5 ALA CB 4 ALA -3.25
3 H 5 ALA H 4 ALA 4.00
4 H 5 ALA CB 5 ALA 3.17
5 H 5 ALA CB 5 ALA -2.46
6 CB 5 ALA HA 5 ALA 3.42
7 CB 5 ALA HA 5 ALA -2.64
8 CB 5 ALA H 6 ALA 3.85
9 CB 5 ALA H 6 ALA -3.00
10 HA 5 ALA H 8 PHE 5.00
11 HA 5 ALA H 6 ALA 5.00
12 H 5 ALA H 6 ALA 3.00
13 CB 5 ALA CG2 116 VAL 4.20
14 HA 5 ALA CG1 118 VAL 4.10
15 HA 5 ALA Hb3 8 PHE 3.00
16 HA 5 ALA Hb2 8 PHE 5.00
Aminoacid 6 ALA
1 CB 6 ALA HA 2 GLU 5.00
2 CB 6 ALA Hg3 2 GLU 3.80
3 CB 6 ALA Hg3 2 GLU -3.08
4 CB 6 ALA Hg2 2 GLU 3.55
5 CB 6 ALA Hg2 2 GLU -2.73
6 CB 6 ALA H 3 THR 3.89
7 CB 6 ALA H 3 THR -3.11
8 H 6 ALA CB 5 ALA 3.85
9 H 6 ALA CB 5 ALA -3.00
10 H 6 ALA HA 5 ALA 5.00
11 H 6 ALA H 5 ALA 3.00
12 H 6 ALA CB 6 ALA 3.16
13 H 6 ALA CB 6 ALA -2.54
14 CB 6 ALA HA 6 ALA 3.35
15 CB 6 ALA HA 6 ALA -2.61
16 CB 6 ALA H 7 LYS 3.28
17 CB 6 ALA H 7 LYS -2.42
18 CB 6 ALA PB 9 GLU 5.90
19 H 6 ALA H 7 LYS 3.00
Aminoacid 7 LYS
1 H 7 LYS Hg3 2 GLU 5.00
2 H 7 LYS Hg2 2 GLU 4.00
3 H 7 LYS H 3 THR 5.45
4 H 7 LYS H 3 THR -4.29
5 PB 7 LYS CB 4 ALA 5.90
6 PB 7 LYS HA 4 ALA 4.90
7 H 7 LYS CB 6 ALA 3.28
8 H 7 LYS CB 6 ALA -2.42
9 H 7 LYS H 6 ALA 3.00
10 H 7 LYS PB 7 LYS 3.90
11 HA 7 LYS PB 7 LYS 3.90
12 HA 7 LYS PG 7 LYS 4.90
13 PB 7 LYS H 8 PHE 3.90
14 H 7 LYS H 8 PHE 2.82
15 H 7 LYS H 8 PHE -2.32
16 HA 7 LYS H 10 ARG 3.17
17 HA 7 LYS H 10 ARG -2.67
18 HA 7 LYS HE 10 ARG 3.21
19 HA 7 LYS HE 10 ARG -2.71
Aminoacid 8 PHE
1 H 8 PHE HA 5 ALA 5.00
2 Hb3 8 PHE HA 5 ALA 3.00
3 Hb2 8 PHE HA 5 ALA 5.00
4 H 8 PHE PB 7 LYS 3.90
5 H 8 PHE H 7 LYS 2.82
6 H 8 PHE H 7 LYS -2.32
7 H 8 PHE Hb3 8 PHE 2.73
8 H 8 PHE Hb3 8 PHE -2.23
9 H 8 PHE Hb2 8 PHE 2.82
10 H 8 PHE Hb2 8 PHE -2.32
11 HA 8 PHE Hb3 8 PHE 3.00
12 HA 8 PHE Hb2 8 PHE 2.71
13 HA 8 PHE Hb2 8 PHE -2.21
14 H 8 PHE H 9 GLU 4.00
15 Hb3 8 PHE H 9 GLU 2.95
16 Hb3 8 PHE H 9 GLU -2.45
17 Hb2 8 PHE H 9 GLU 3.35
18 Hb2 8 PHE H 9 GLU -2.85
19 HA 8 PHE H 9 GLU 5.00
20 HA 8 PHE HD2 12 HIS 3.00
21 HA 8 PHE H 11 GLN 5.00
22 HA 8 PHE H 12 HIS 5.00
23 Hb2 8 PHE HD2 12 HIS 5.00
24 H 8 PHE HD2 12 HIS 5.00
25 HD1 8 PHE HA 8 PHE 3.20
26 HD1 8 PHE HA 8 PHE -2.70
27 CG 8 PHE H 8 PHE 7.10
28 CG 8 PHE PB 8 PHE 6.00
29 HD2 8 PHE HA 9 GLU 2.81
30 HD2 8 PHE HA 9 GLU -2.31
31 HD2 8 PHE H 9 GLU 3.09
32 HD2 8 PHE H 9 GLU -2.59
33 HD1 8 PHE CG1 108 VAL 4.00
34 HD1 8 PHE HA 119 HIS 3.11
35 HD1 8 PHE HA 119 HIS -2.61
36 HD1 8 PHE Hb3 120 PHE 4.00
37 HD1 8 PHE Hb2 120 PHE 2.64
38 HD1 8 PHE Hb2 120 PHE -2.14
39 HD1 8 PHE H 119 HIS 3.62
40 HD1 8 PHE H 119 HIS -3.12
41 HD1 8 PHE PB 117 PRO 4.90
42 HD1 8 PHE HA 120 PHE 4.00
43 HE2 8 PHE CG1 54 VAL 4.00
44 HE2 8 PHE CG2 54 VAL 5.00
45 HE2 8 PHE CG 51 LEU 7.20
46 HE1 8 PHE CG1 108 VAL 3.94
47 HE1 8 PHE CG1 108 VAL -3.04
48 HE1 8 PHE CG2 108 VAL 6.00
49 HE1 8 PHE Hb2 120 PHE 4.00
50 HE1 8 PHE HA 120 PHE 5.00
51 CZ 8 PHE PB 117 PRO 8.00
52 HZ 8 PHE CG1 54 VAL 6.00
53 HZ 8 PHE CG2 54 VAL 6.00
54 CG 8 PHE Hb2 12 HIS 4.00
55 HD2 8 PHE CE 13 MET 5.00
56 HD2 8 PHE PG 9 GLU 5.90
57 HD2 8 PHE PG 13 MET 3.90
58 HZ 8 PHE PB 117 PRO 5.90
59 HE2 8 PHE Hb3 12 HIS 5.00
60 HD2 8 PHE CG 51 LEU 5.20
61 HZ 8 PHE CG1 108 VAL 6.00
62 HZ 8 PHE CG2 108 VAL 6.00
63 HD1 8 PHE H 120 PHE 3.43
64 HD1 8 PHE H 120 PHE -2.93
Aminoacid 9 GLU
1 PB 9 GLU CB 6 ALA 5.90
2 H 9 GLU H 8 PHE 4.00
3 H 9 GLU Hb3 8 PHE 2.95
4 H 9 GLU Hb3 8 PHE -2.45
5 H 9 GLU Hb2 8 PHE 3.35
6 H 9 GLU Hb2 8 PHE -2.85
7 H 9 GLU HA 8 PHE 5.00
8 HA 9 GLU HD2 8 PHE 2.81
9 HA 9 GLU HD2 8 PHE -2.31
10 H 9 GLU HD2 8 PHE 3.09
11 H 9 GLU HD2 8 PHE -2.59
12 PG 9 GLU HD2 8 PHE 5.90
13 H 9 GLU Hb3 9 GLU 3.36
14 H 9 GLU Hb3 9 GLU -2.50
15 H 9 GLU Hb2 9 GLU 3.70
16 H 9 GLU Hb2 9 GLU -3.20
17 HA 9 GLU Hb3 9 GLU 3.00
18 HA 9 GLU Hb2 9 GLU 4.00
19 Hg2 9 GLU HA 9 GLU 3.00
20 H 9 GLU Hg2 9 GLU 2.64
21 H 9 GLU Hg2 9 GLU -2.14
22 H 9 GLU Hg3 9 GLU 4.00
23 HA 9 GLU H 12 HIS 4.04
24 HA 9 GLU H 12 HIS -3.41
25 Hb2 9 GLU PG 9 GLU 4.90
26 H 9 GLU H 10 ARG 2.85
27 H 9 GLU H 10 ARG -2.35
28 Hb3 9 GLU H 10 ARG 4.00
29 Hb2 9 GLU H 10 ARG 2.44
30 Hb2 9 GLU H 10 ARG -1.94
31 HA 9 GLU H 13 MET 3.12
32 HA 9 GLU H 13 MET -2.62
33 HA 9 GLU Hb2 13 MET 4.00
34 HA 9 GLU PG 13 MET 3.90
35 HA 9 GLU H 12 HIS 4.04
36 HA 9 GLU H 12 HIS -3.41
Aminoacid 10 ARG
1 H 10 ARG HA 7 LYS 3.17
2 H 10 ARG HA 7 LYS -2.67
3 HE 10 ARG HA 7 LYS 3.21
4 HE 10 ARG HA 7 LYS -2.71
5 H 10 ARG H 9 GLU 2.85
6 H 10 ARG H 9 GLU -2.35
7 H 10 ARG Hb3 9 GLU 4.00
8 H 10 ARG Hb2 9 GLU 2.44
9 H 10 ARG Hb2 9 GLU -1.94
10 H 10 ARG Hb3 10 ARG 2.83
11 H 10 ARG Hb3 10 ARG -2.33
12 H 10 ARG Hb2 10 ARG 2.61
13 H 10 ARG Hb2 10 ARG -2.11
14 HA 10 ARG Hb3 10 ARG 4.00
15 Hb2 10 ARG HA 10 ARG 2.92
16 Hb2 10 ARG HA 10 ARG -2.42
17 Hg3 10 ARG HA 10 ARG 4.81
18 Hg3 10 ARG HA 10 ARG -2.93
19 HA 10 ARG Hg2 10 ARG 4.00
20 Hb2 10 ARG Hd2 10 ARG 2.99
21 Hb2 10 ARG Hd2 10 ARG -2.49
22 Hd3 10 ARG HA 10 ARG 3.61
23 Hd3 10 ARG HA 10 ARG -3.11
24 HA 10 ARG Hd2 10 ARG 5.00
25 Hd3 10 ARG Hg2 10 ARG 4.00
26 Hd2 10 ARG Hg2 10 ARG 4.00
27 Hd3 10 ARG Hg3 10 ARG 4.00
28 Hd2 10 ARG Hg3 10 ARG 2.33
29 Hd2 10 ARG Hg3 10 ARG -1.83
30 HE 10 ARG Hb3 10 ARG 3.53
31 HE 10 ARG Hb3 10 ARG -2.66
32 HE 10 ARG Hb2 10 ARG 4.00
33 HE 10 ARG Hg3 10 ARG 5.00
34 HE 10 ARG Hg2 10 ARG 4.00
35 HE 10 ARG Hd3 10 ARG 3.25
36 HE 10 ARG Hd3 10 ARG -2.75
37 HE 10 ARG Hd2 10 ARG 2.65
38 HE 10 ARG Hd2 10 ARG -2.15
39 Hb3 10 ARG H 11 GLN 3.00
40 H 10 ARG H 11 GLN 2.99
41 H 10 ARG H 11 GLN -2.49
Aminoacid 11 GLN
1 H 11 GLN HA 8 PHE 5.00
2 H 11 GLN Hb3 10 ARG 3.00
3 H 11 GLN H 10 ARG 2.99
4 H 11 GLN H 10 ARG -2.49
5 H 11 GLN Hb3 11 GLN 3.08
6 H 11 GLN Hb3 11 GLN -2.58
7 H 11 GLN Hb2 11 GLN 3.00
8 H 11 GLN Hg3 11 GLN 2.73
9 H 11 GLN Hg3 11 GLN -2.23
10 H 11 GLN Hg2 11 GLN 4.00
11 PG 11 GLN Hb3 11 GLN 4.90
12 PG 11 GLN Hb2 11 GLN 4.90
13 HA 11 GLN Hb3 11 GLN 3.00
14 HA 11 GLN Hb2 11 GLN 3.08
15 HA 11 GLN Hb2 11 GLN -2.58
16 Hg3 11 GLN HA 11 GLN 4.00
17 Hg2 11 GLN HA 11 GLN 2.61
18 Hg2 11 GLN HA 11 GLN -2.11
19 H 11 GLN H 12 HIS 3.01
20 H 11 GLN H 12 HIS -2.51
21 Hb3 11 GLN H 12 HIS 3.36
22 Hb3 11 GLN H 12 HIS -2.86
23 Hb2 11 GLN H 12 HIS 3.31
24 Hb2 11 GLN H 12 HIS -2.81
25 PG 11 GLN H 12 HIS 5.90
26 HA 11 GLN H 12 HIS 3.82
27 HA 11 GLN H 12 HIS -3.32
28 HA 11 GLN Hb3 35 LEU 5.00
29 HA 11 GLN CD1 35 LEU 5.00
30 HA 11 GLN CD2 35 LEU 5.00
31 PG 11 GLN CD2 35 LEU 5.00
32 HA 11 GLN HE1 46 PHE 4.00
33 NE2 11 GLN Hb3 11 GLN 5.00
34 H 11 GLN HD2 12 HIS 5.00
35 Hb3 11 GLN HD2 12 HIS 3.00
36 Hb2 11 GLN HD2 12 HIS 3.00
Aminoacid 12 HIS
1 HD2 12 HIS HA 8 PHE 3.00
2 H 12 HIS HA 8 PHE 5.00
3 HD2 12 HIS Hb2 8 PHE 5.00
4 HD2 12 HIS H 8 PHE 5.00
5 Hb2 12 HIS CG 8 PHE 4.00
6 Hb3 12 HIS HE2 8 PHE 5.00
7 H 12 HIS HA 9 GLU 4.04
8 H 12 HIS HA 9 GLU -3.41
9 H 12 HIS HA 9 GLU 4.04
10 H 12 HIS HA 9 GLU -3.41
11 H 12 HIS H 11 GLN 3.01
12 H 12 HIS H 11 GLN -2.51
13 H 12 HIS Hb3 11 GLN 3.36
14 H 12 HIS Hb3 11 GLN -2.86
15 H 12 HIS Hb2 11 GLN 3.31
16 H 12 HIS Hb2 11 GLN -2.81
17 H 12 HIS PG 11 GLN 5.90
18 H 12 HIS HA 11 GLN 3.82
19 H 12 HIS HA 11 GLN -3.32
20 HD2 12 HIS H 11 GLN 5.00
21 HD2 12 HIS Hb3 11 GLN 3.00
22 HD2 12 HIS Hb2 11 GLN 3.00
23 H 12 HIS Hb3 12 HIS 5.00
24 H 12 HIS Hb2 12 HIS 3.00
25 H 12 HIS Hb2 12 HIS -2.50
26 HA 12 HIS Hb3 12 HIS 2.94
27 HA 12 HIS Hb3 12 HIS -2.44
28 Hb2 12 HIS HA 12 HIS 3.33
29 Hb2 12 HIS HA 12 HIS -2.83
30 H 12 HIS H 13 MET 3.00
31 Hb2 12 HIS H 13 MET 5.00
32 HA 12 HIS H 47 VAL 5.00
33 HA 12 HIS H 13 MET 3.75
34 HA 12 HIS H 13 MET -3.25
35 HA 12 HIS CG1 47 VAL 6.00
36 HD1 12 HIS HA 12 HIS 4.00
37 HD1 12 HIS Hb3 12 HIS 4.00
38 HD1 12 HIS Hb2 12 HIS 5.00
39 HE1 12 HIS HA 44 ASN 4.00
40 HE1 12 HIS Hb3 120 PHE 4.00
41 HE1 12 HIS Hb2 120 PHE 4.00
42 HD2 12 HIS Hb2 12 HIS 3.00
43 HD2 12 HIS HA 119 HIS 5.00
44 HA 12 HIS HD1 46 PHE 3.00
45 HD2 12 HIS HA 12 HIS 5.00
46 Hb2 12 HIS HD2 120 PHE 5.00
47 HD1 12 HIS H 45 THR 4.00
48 HE1 12 HIS H 45 THR 3.00
49 HE1 12 HIS H 45 THR -2.50
50 HD1 12 HIS HB 45 THR 5.00
51 HD2 12 HIS Hb3 120 PHE 5.00
52 HD2 12 HIS Hb2 120 PHE 5.00
53 HD1 12 HIS Hb2 120 PHE 5.00
54 H 12 HIS HD2 12 HIS 3.42
55 H 12 HIS HD2 12 HIS -2.92
Aminoacid 13 MET
1 CE 13 MET HD2 8 PHE 5.00
2 PG 13 MET HD2 8 PHE 3.90
3 H 13 MET HA 9 GLU 3.12
4 H 13 MET HA 9 GLU -2.62
5 Hb2 13 MET HA 9 GLU 4.00
6 PG 13 MET HA 9 GLU 3.90
7 H 13 MET H 12 HIS 3.00
8 H 13 MET Hb2 12 HIS 5.00
9 H 13 MET HA 12 HIS 3.75
10 H 13 MET HA 12 HIS -3.25
11 H 13 MET Hb3 13 MET 3.57
12 H 13 MET Hb3 13 MET -3.07
13 H 13 MET Hb2 13 MET 2.97
14 H 13 MET Hb2 13 MET -2.47
15 H 13 MET Hg3 13 MET 3.14
16 H 13 MET Hg3 13 MET -2.64
17 H 13 MET CE 13 MET 6.00
18 Hb3 13 MET PG 13 MET 4.90
19 Hb2 13 MET PG 13 MET 4.90
20 CE 13 MET Hg2 13 MET 4.05
21 CE 13 MET Hg2 13 MET -3.30
22 CE 13 MET Hb2 13 MET 3.86
23 CE 13 MET Hb2 13 MET -3.17
24 HA 13 MET Hb3 13 MET 3.13
25 HA 13 MET Hb3 13 MET -2.63
26 HA 13 MET Hb2 13 MET 2.90
27 HA 13 MET Hb2 13 MET -2.40
28 HA 13 MET Hg2 13 MET 3.19
29 HA 13 MET Hg2 13 MET -2.69
30 HA 13 MET Hg3 13 MET 3.97
31 HA 13 MET Hg3 13 MET -3.37
32 HA 13 MET CE 13 MET 3.93
33 HA 13 MET CE 13 MET -3.13
34 HA 13 MET H 14 ASP 2.49
35 HA 13 MET H 14 ASP -1.99
36 HA 13 MET HB 47 VAL 2.97
37 HA 13 MET HB 47 VAL -2.47
38 HA 13 MET H 47 VAL 3.18
39 HA 13 MET H 47 VAL -2.68
40 HA 13 MET HA 46 PHE 5.00
41 Hb3 13 MET Hg2 13 MET 2.65
42 Hb3 13 MET Hg2 13 MET -2.15
43 CE 13 MET CG1 54 VAL 5.00
44 PG 13 MET CG 51 LEU 7.10
45 PB 13 MET CG 51 LEU 7.10
46 CE 13 MET H 47 VAL 7.00
47 CE 13 MET HA 51 LEU 3.47
48 CE 13 MET HA 51 LEU -2.76
49 HA 13 MET HD1 46 PHE 5.00
Aminoacid 14 ASP
1 H 14 ASP HA 13 MET 2.49
2 H 14 ASP HA 13 MET -1.99
3 H 14 ASP PB 14 ASP 3.90
4 HA 14 ASP PB 14 ASP 3.90
5 PB 14 ASP H 15 SER 5.90
6 HA 14 ASP H 15 SER 3.00
7 HA 14 ASP H 16 SER 4.58
8 HA 14 ASP H 16 SER -3.83
9 H 14 ASP H 47 VAL 4.60
10 H 14 ASP H 47 VAL -4.10
11 H 14 ASP PB 46 PHE 5.90
12 PB 14 ASP HD1 46 PHE 4.90
13 PB 14 ASP HE1 48 HIS 3.90
Aminoacid 15 SER
1 H 15 SER PB 14 ASP 5.90
2 H 15 SER HA 14 ASP 3.00
3 H 15 SER PB 15 SER 4.90
4 HA 15 SER PB 15 SER 3.90
5 H 15 SER H 16 SER 3.18
6 H 15 SER H 16 SER -2.68
7 PB 15 SER HA 50 SER 4.90
8 HA 15 SER HA 48 HIS 3.51
9 HA 15 SER HA 48 HIS -3.01
Aminoacid 16 SER
1 H 16 SER HA 14 ASP 4.58
2 H 16 SER HA 14 ASP -3.83
3 H 16 SER H 15 SER 3.18
4 H 16 SER H 15 SER -2.68
5 H 16 SER PB 16 SER 3.90
6 HA 16 SER PB 16 SER 3.90
7 H 16 SER H 17 THR 3.06
8 H 16 SER H 17 THR -2.56
9 HA 16 SER H 17 THR 5.00
Aminoacid 17 THR
1 H 17 THR H 16 SER 3.06
2 H 17 THR H 16 SER -2.56
3 H 17 THR HA 16 SER 5.00
4 H 17 THR CG 17 THR 4.25
5 H 17 THR CG 17 THR -3.56
6 HA 17 THR CG 17 THR 4.00
7 HB 17 THR CG 17 THR 4.00
8 HA 17 THR HB 17 THR 3.00
9 HA 17 THR H 18 SER 3.00
10 HB 17 THR H 19 ALA 3.11
11 HB 17 THR H 19 ALA -2.61
12 CG 17 THR HE1 25 TYR 4.81
13 CG 17 THR HE1 25 TYR -3.98
14 HB 17 THR HE1 25 TYR 5.00
15 HB 17 THR HE1 48 HIS 5.00
16 CG 17 THR HE1 48 HIS 5.00
Aminoacid 18 SER
1 H 18 SER HA 17 THR 3.00
2 H 18 SER PB 18 SER 4.90
3 HA 18 SER PB 18 SER 3.90
4 HA 18 SER H 19 ALA 3.34
5 HA 18 SER H 19 ALA -2.84
6 H 18 SER H 19 ALA 3.03
7 H 18 SER H 19 ALA -2.53
8 HA 18 SER PB 48 HIS 3.90
Aminoacid 19 ALA
1 H 19 ALA HB 17 THR 3.11
2 H 19 ALA HB 17 THR -2.61
3 H 19 ALA HA 18 SER 3.34
4 H 19 ALA HA 18 SER -2.84
5 H 19 ALA H 18 SER 3.03
6 H 19 ALA H 18 SER -2.53
7 H 19 ALA CB 19 ALA 3.85
8 H 19 ALA CB 19 ALA -3.18
9 CB 19 ALA NE2 101 GLN 7.10
10 CB 19 ALA HA 19 ALA 4.00
11 CB 19 ALA H 20 ALA 4.10
12 CB 19 ALA H 20 ALA -3.20
13 HA 19 ALA H 20 ALA 3.00
14 CB 19 ALA PG 101 GLN 5.90
15 HA 19 ALA HD2 48 HIS 3.35
16 HA 19 ALA HD2 48 HIS -2.85
17 HA 19 ALA NE2 101 GLN 5.10
18 HA 19 ALA HE1 48 HIS 4.87
19 HA 19 ALA HE1 48 HIS -4.10
Aminoacid 20 ALA
1 H 20 ALA CB 19 ALA 4.10
2 H 20 ALA CB 19 ALA -3.20
3 H 20 ALA HA 19 ALA 3.00
4 H 20 ALA CB 20 ALA 4.00
5 CB 20 ALA HA 20 ALA 3.32
6 CB 20 ALA HA 20 ALA -2.68
7 HA 20 ALA H 21 SER 4.00
8 CB 20 ALA H 21 SER 4.26
9 CB 20 ALA H 21 SER -3.52
10 CB 20 ALA H 25 TYR 5.00
11 CB 20 ALA CG 99 THR 5.00
12 HA 20 ALA CG 82 THR 6.00
13 CB 20 ALA Hb2 25 TYR 3.84
14 CB 20 ALA Hb2 25 TYR -3.10
15 CB 20 ALA Hb3 25 TYR 3.89
16 CB 20 ALA Hb3 25 TYR -3.23
17 CB 20 ALA HA 25 TYR 6.00
18 CB 20 ALA HA 82 THR 6.00
19 CB 20 ALA HA 101 GLN 7.00
20 CB 20 ALA PB 101 GLN 5.90
21 CB 20 ALA CG 25 TYR 6.10
22 CB 20 ALA HE2 25 TYR 5.00
23 HA 20 ALA HD1 25 TYR 3.28
24 HA 20 ALA HD1 25 TYR -2.78
25 HA 20 ALA HE1 25 TYR 4.40
26 HA 20 ALA HE1 25 TYR -3.90
27 HA 20 ALA H 25 TYR 5.00
28 CB 20 ALA HE1 48 HIS 4.87
29 CB 20 ALA HE1 48 HIS -4.01
30 HA 20 ALA HE1 48 HIS 3.57
31 HA 20 ALA HE1 48 HIS -3.07
32 CB 20 ALA HD2 48 HIS 7.00
Aminoacid 21 SER
1 H 21 SER HA 20 ALA 4.00
2 H 21 SER CB 20 ALA 4.26
3 H 21 SER CB 20 ALA -3.52
4 H 21 SER PB 21 SER 4.90
5 HA 21 SER PB 21 SER 3.90
6 HA 21 SER H 22 SER 3.32
7 HA 21 SER H 22 SER -2.82
8 H 21 SER H 22 SER 2.76
9 H 21 SER H 22 SER -2.26
10 H 21 SER HD1 25 TYR 3.92
11 H 21 SER HD1 25 TYR -3.42
Aminoacid 22 SER
1 H 22 SER HA 21 SER 3.32
2 H 22 SER HA 21 SER -2.82
3 H 22 SER H 21 SER 2.76
4 H 22 SER H 21 SER -2.26
5 HA 22 SER PB 22 SER 3.90
6 H 22 SER PB 22 SER 4.90
7 HA 22 SER H 23 SER 3.00
8 H 22 SER H 23 SER 4.07
9 H 22 SER H 23 SER -3.57
10 PB 22 SER H 23 SER 4.90
Aminoacid 23 SER
1 H 23 SER HA 22 SER 3.00
2 H 23 SER H 22 SER 4.07
3 H 23 SER H 22 SER -3.57
4 H 23 SER PB 22 SER 4.90
5 HA 23 SER PB 23 SER 3.90
6 H 23 SER H 24 ASN 3.32
7 H 23 SER H 24 ASN -2.82
8 PB 23 SER H 24 ASN 5.90
9 HA 23 SER HB 99 THR 3.00
10 HA 23 SER CG 99 THR 4.96
11 HA 23 SER CG 99 THR -3.99
Aminoacid 24 ASN
1 H 24 ASN H 23 SER 3.32
2 H 24 ASN H 23 SER -2.82
3 H 24 ASN PB 23 SER 5.90
4 HA 24 ASN PB 24 ASN 3.90
5 H 24 ASN PB 24 ASN 3.90
6 PB 24 ASN H 25 TYR 3.90
7 HA 24 ASN H 25 TYR 3.36
8 HA 24 ASN H 25 TYR -2.86
9 H 24 ASN H 25 TYR 2.84
10 H 24 ASN H 25 TYR -2.34
11 HA 24 ASN PB 27 ASN 4.90
12 ND2 24 ASN PB 24 ASN 4.90
13 ND2 24 ASN HA 24 ASN 6.00
Aminoacid 25 TYR
1 HE1 25 TYR CG 17 THR 4.81
2 HE1 25 TYR CG 17 THR -3.98
3 HE1 25 TYR HB 17 THR 5.00
4 H 25 TYR CB 20 ALA 5.00
5 Hb2 25 TYR CB 20 ALA 3.84
6 Hb2 25 TYR CB 20 ALA -3.10
7 Hb3 25 TYR CB 20 ALA 3.89
8 Hb3 25 TYR CB 20 ALA -3.23
9 HA 25 TYR CB 20 ALA 6.00
10 CG 25 TYR CB 20 ALA 6.10
11 HE2 25 TYR CB 20 ALA 5.00
12 HD1 25 TYR HA 20 ALA 3.28
13 HD1 25 TYR HA 20 ALA -2.78
14 HE1 25 TYR HA 20 ALA 4.40
15 HE1 25 TYR HA 20 ALA -3.90
16 H 25 TYR HA 20 ALA 5.00
17 HD1 25 TYR H 21 SER 3.92
18 HD1 25 TYR H 21 SER -3.42
19 H 25 TYR PB 24 ASN 3.90
20 H 25 TYR HA 24 ASN 3.36
21 H 25 TYR HA 24 ASN -2.86
22 H 25 TYR H 24 ASN 2.84
23 H 25 TYR H 24 ASN -2.34
24 H 25 TYR Hb3 25 TYR 3.00
25 Hb2 25 TYR H 25 TYR 2.92
26 Hb2 25 TYR H 25 TYR -2.42
27 Hb3 25 TYR HA 25 TYR 2.65
28 Hb3 25 TYR HA 25 TYR -2.15
29 Hb2 25 TYR HA 25 TYR 2.74
30 Hb2 25 TYR HA 25 TYR -2.24
31 Hb3 25 TYR H 26 CYS 2.83
32 Hb3 25 TYR H 26 CYS -2.33
33 Hb2 25 TYR H 26 CYS 5.00
34 H 25 TYR H 26 CYS 5.00
35 H 25 TYR CG 99 THR 4.95
36 H 25 TYR CG 99 THR -2.87
37 Hb3 25 TYR CG 99 THR 4.00
38 Hb2 25 TYR CG 99 THR 5.00
39 CG 25 TYR PB 25 TYR 6.00
40 HD2 25 TYR CG 82 THR 3.38
41 HD2 25 TYR CG 82 THR -2.74
42 HD2 25 TYR CG 99 THR 4.00
43 HD2 25 TYR HA 26 CYS 2.89
44 HD2 25 TYR HA 26 CYS -2.39
45 HD1 25 TYR HA 25 TYR 3.19
46 HD1 25 TYR HA 25 TYR -2.69
47 HE2 25 TYR CG 82 THR 3.82
48 HE2 25 TYR CG 82 THR -2.99
49 CZ 25 TYR PB 25 TYR 8.00
50 HE2 25 TYR HB 82 THR 2.86
51 HE2 25 TYR HB 82 THR -2.36
52 HE2 25 TYR HD2 46 PHE 2.93
53 HE2 25 TYR HD2 46 PHE -2.43
54 HE2 25 TYR Hb2 29 MET 5.00
55 HE1 25 TYR HE1 48 HIS 3.93
56 HE1 25 TYR HE1 48 HIS -3.43
57 HE2 25 TYR Hb3 46 PHE 5.00
58 HE2 25 TYR Hb2 46 PHE 4.00
59 HD2 25 TYR H 26 CYS 3.01
60 HD2 25 TYR H 26 CYS -2.51
61 CG 25 TYR H 25 TYR 6.10
62 HE2 25 TYR CG 99 THR 6.00
Aminoacid 26 CYS
1 H 26 CYS Hb3 25 TYR 2.83
2 H 26 CYS Hb3 25 TYR -2.33
3 H 26 CYS Hb2 25 TYR 5.00
4 H 26 CYS H 25 TYR 5.00
5 HA 26 CYS HD2 25 TYR 2.89
6 HA 26 CYS HD2 25 TYR -2.39
7 H 26 CYS HD2 25 TYR 3.01
8 H 26 CYS HD2 25 TYR -2.51
9 H 26 CYS Hb2 26 CYS 2.89
10 H 26 CYS Hb2 26 CYS -2.39
11 HA 26 CYS Hb3 26 CYS 3.27
12 HA 26 CYS Hb3 26 CYS -2.77
13 Hb2 26 CYS HA 26 CYS 3.09
14 Hb2 26 CYS HA 26 CYS -2.59
15 Hb3 26 CYS H 27 ASN 4.82
16 Hb3 26 CYS H 27 ASN -3.69
17 Hb2 26 CYS H 27 ASN 3.53
18 Hb2 26 CYS H 27 ASN -3.03
19 H 26 CYS H 27 ASN 3.33
20 H 26 CYS H 27 ASN -2.83
21 Hb2 26 CYS HA 99 THR 3.89
22 Hb2 26 CYS HA 99 THR -3.39
23 Hb2 26 CYS Hb3 97 TYR 2.91
24 Hb2 26 CYS Hb3 97 TYR -2.41
25 Hb2 26 CYS Hb2 97 TYR 3.42
26 Hb2 26 CYS Hb2 97 TYR -2.92
27 HA 26 CYS H 30 MET 3.77
28 HA 26 CYS H 30 MET -3.27
29 H 26 CYS CG 99 THR 4.00
30 HA 26 CYS Hb3 29 MET 3.00
31 HA 26 CYS Hb2 29 MET 3.00
32 HA 26 CYS PG 30 MET 6.90
Aminoacid 27 ASN
1 PB 27 ASN HA 24 ASN 4.90
2 H 27 ASN Hb3 26 CYS 4.82
3 H 27 ASN Hb3 26 CYS -3.69
4 H 27 ASN Hb2 26 CYS 3.53
5 H 27 ASN Hb2 26 CYS -3.03
6 H 27 ASN H 26 CYS 3.33
7 H 27 ASN H 26 CYS -2.83
8 H 27 ASN PB 27 ASN 3.90
9 HA 27 ASN PB 27 ASN 3.90
10 PB 27 ASN H 28 GLN 3.90
11 H 27 ASN H 28 GLN 3.64
12 H 27 ASN H 28 GLN -2.96
13 PB 27 ASN HA 28 GLN 5.90
14 HA 27 ASN H 30 MET 5.00
15 ND2 27 ASN PB 27 ASN 5.00
16 HA 27 ASN CZ 97 TYR 7.10
Aminoacid 28 GLN
1 H 28 GLN PB 27 ASN 3.90
2 H 28 GLN H 27 ASN 3.64
3 H 28 GLN H 27 ASN -2.96
4 HA 28 GLN PB 27 ASN 5.90
5 H 28 GLN Hb3 28 GLN 2.93
6 H 28 GLN Hb3 28 GLN -2.43
7 H 28 GLN Hb2 28 GLN 3.00
8 H 28 GLN PG 28 GLN 3.90
9 HA 28 GLN Hb3 28 GLN 3.00
10 HA 28 GLN Hb2 28 GLN 4.00
11 HA 28 GLN PG 28 GLN 4.90
12 HA 28 GLN H 29 MET 4.00
13 H 28 GLN H 29 MET 2.78
14 H 28 GLN H 29 MET -2.28
15 PG 28 GLN H 29 MET 5.90
16 Hb3 28 GLN H 29 MET 2.86
17 Hb3 28 GLN H 29 MET -2.36
18 Hb2 28 GLN H 29 MET 3.35
19 Hb2 28 GLN H 29 MET -2.85
20 NE2 28 GLN PG 28 GLN 4.90
21 NE2 28 GLN Hb3 28 GLN 5.00
22 HA 28 GLN H 31 LYS 3.62
23 HA 28 GLN H 31 LYS -3.12
Aminoacid 29 MET
1 Hb2 29 MET HE2 25 TYR 5.00
2 Hb3 29 MET HA 26 CYS 3.00
3 Hb2 29 MET HA 26 CYS 3.00
4 H 29 MET HA 28 GLN 4.00
5 H 29 MET H 28 GLN 2.78
6 H 29 MET H 28 GLN -2.28
7 H 29 MET PG 28 GLN 5.90
8 H 29 MET Hb3 28 GLN 2.86
9 H 29 MET Hb3 28 GLN -2.36
10 H 29 MET Hb2 28 GLN 3.35
11 H 29 MET Hb2 28 GLN -2.85
12 H 29 MET PG 29 MET 4.90
13 Hb3 29 MET H 29 MET 2.67
14 Hb3 29 MET H 29 MET -2.17
15 H 29 MET Hb2 29 MET 3.48
16 H 29 MET Hb2 29 MET -2.46
17 CE 29 MET Hb3 29 MET 4.00
18 Hb2 29 MET PG 29 MET 3.90
19 Hb3 29 MET HA 29 MET 3.11
20 Hb3 29 MET HA 29 MET -2.61
21 HA 29 MET Hb2 29 MET 2.76
22 HA 29 MET Hb2 29 MET -2.26
23 Hb3 29 MET H 30 MET 4.00
24 Hb2 29 MET H 30 MET 3.14
25 Hb2 29 MET H 30 MET -2.64
26 H 29 MET H 30 MET 2.92
27 H 29 MET H 30 MET -2.42
28 HA 29 MET H 30 MET 4.66
29 HA 29 MET H 30 MET -3.84
30 HA 29 MET PB 32 SER 5.90
31 PG 29 MET CG 46 PHE 8.10
32 PG 29 MET CZ 46 PHE 8.10
33 PB 29 MET HE2 46 PHE 4.90
Aminoacid 30 MET
1 H 30 MET HA 26 CYS 3.77
2 H 30 MET HA 26 CYS -3.27
3 PG 30 MET HA 26 CYS 6.90
4 H 30 MET HA 27 ASN 5.00
5 H 30 MET Hb3 29 MET 4.00
6 H 30 MET Hb2 29 MET 3.14
7 H 30 MET Hb2 29 MET -2.64
8 H 30 MET H 29 MET 2.92
9 H 30 MET H 29 MET -2.42
10 H 30 MET HA 29 MET 4.66
11 H 30 MET HA 29 MET -3.84
12 H 30 MET CE 30 MET 6.00
13 Hb3 30 MET PG 30 MET 4.00
14 Hb2 30 MET PG 30 MET 4.00
15 H 30 MET PG 30 MET 3.90
16 H 30 MET Hb3 30 MET 5.00
17 H 30 MET Hb2 30 MET 4.00
18 HA 30 MET Hb3 30 MET 3.92
19 HA 30 MET Hb3 30 MET -3.26
20 HA 30 MET Hb2 30 MET 5.00
21 HA 30 MET PG 30 MET 5.90
22 PG 30 MET CE 30 MET 4.90
23 Hb2 30 MET H 31 LYS 4.00
24 H 30 MET H 31 LYS 2.91
25 H 30 MET H 31 LYS -2.41
26 HA 30 MET Hb3 35 LEU 5.00
27 HA 30 MET CD1 35 LEU 4.00
28 HA 30 MET HG 35 LEU 5.00
29 HA 30 MET HZ 46 PHE 3.00
30 HA 30 MET HE2 46 PHE 2.66
31 HA 30 MET HE2 46 PHE -2.16
32 PG 30 MET HE2 46 PHE 5.90
33 CE 30 MET PB 44 ASN 5.90
Aminoacid 31 LYS
1 H 31 LYS Hb2 30 MET 4.00
2 H 31 LYS H 30 MET 2.91
3 H 31 LYS H 30 MET -2.41
4 H 31 LYS PB 31 LYS 3.90
5 HA 31 LYS PB 31 LYS 3.90
6 PB 31 LYS PG 31 LYS 4.80
7 PB 31 LYS H 32 SER 3.90
8 H 31 LYS H 32 SER 3.02
9 H 31 LYS H 32 SER -2.52
10 H 31 LYS HA 28 GLN 3.62
11 H 31 LYS HA 28 GLN -3.12
12 PB 31 LYS HA 32 SER 4.90
13 H 31 LYS CG 36 THR 6.00
14 HA 31 LYS CG 36 THR 4.07
15 HA 31 LYS CG 36 THR -3.39
Aminoacid 32 SER
1 PB 32 SER HA 29 MET 5.90
2 H 32 SER PB 31 LYS 3.90
3 H 32 SER H 31 LYS 3.02
4 H 32 SER H 31 LYS -2.52
5 HA 32 SER PB 31 LYS 4.90
6 H 32 SER HA 32 SER 3.17
7 H 32 SER HA 32 SER -2.67
8 H 32 SER PB 32 SER 3.90
9 HA 32 SER PB 32 SER 3.90
10 H 32 SER H 33 ARG 3.15
11 H 32 SER H 33 ARG -2.65
12 HA 32 SER H 34 ASN 5.00
Aminoacid 33 ARG
1 H 33 ARG H 32 SER 3.15
2 H 33 ARG H 32 SER -2.65
3 H 33 ARG Hb3 33 ARG 4.00
4 H 33 ARG Hb2 33 ARG 3.00
5 HA 33 ARG Hb3 33 ARG 4.00
6 HA 33 ARG Hb2 33 ARG 4.00
7 Hb3 33 ARG PD 33 ARG 4.90
8 Hb2 33 ARG PD 33 ARG 4.90
9 HA 33 ARG PD 33 ARG 3.90
10 H 33 ARG H 34 ASN 4.00
11 PB 33 ARG CG 35 LEU 6.90
12 Hb2 33 ARG HZ 46 PHE 4.00
13 PB 33 ARG HE1 46 PHE 7.10
14 PG 33 ARG CG 46 PHE 7.00
15 HE 33 ARG CZ 33 ARG 6.20
16 HE 33 ARG PD 33 ARG 3.90
17 HE 33 ARG PG 33 ARG 4.90
18 CZ 33 ARG Hb2 33 ARG 5.60
19 HE 33 ARG H 33 ARG 5.00
Aminoacid 34 ASN
1 H 34 ASN HA 32 SER 5.00
2 H 34 ASN H 33 ARG 4.00
3 H 34 ASN PB 34 ASN 5.90
4 H 34 ASN HA 34 ASN 3.00
5 HA 34 ASN PB 34 ASN 3.90
6 HA 34 ASN H 35 LEU 5.00
7 H 34 ASN H 35 LEU 3.19
8 H 34 ASN H 35 LEU -2.69
9 HA 34 ASN PB 37 LYS 4.90
10 ND2 34 ASN PB 34 ASN 5.90
Aminoacid 35 LEU
1 Hb3 35 LEU HA 11 GLN 5.00
2 CD1 35 LEU HA 11 GLN 5.00
3 CD2 35 LEU HA 11 GLN 5.00
4 CD2 35 LEU PG 11 GLN 5.00
5 Hb3 35 LEU HA 30 MET 5.00
6 CD1 35 LEU HA 30 MET 4.00
7 HG 35 LEU HA 30 MET 5.00
8 CG 35 LEU PB 33 ARG 6.90
9 H 35 LEU HA 34 ASN 5.00
10 H 35 LEU H 34 ASN 3.19
11 H 35 LEU H 34 ASN -2.69
12 H 35 LEU Hb3 35 LEU 4.00
13 Hb2 35 LEU H 35 LEU 2.62
14 Hb2 35 LEU H 35 LEU -2.12
15 H 35 LEU HG 35 LEU 3.00
16 H 35 LEU CD1 35 LEU 4.17
17 H 35 LEU CD1 35 LEU -3.27
18 HA 35 LEU CD2 35 LEU 4.00
19 HA 35 LEU Hb3 35 LEU 3.00
20 Hb3 35 LEU CD1 35 LEU 4.00
21 Hb3 35 LEU CD2 35 LEU 4.00
22 Hb2 35 LEU CD1 35 LEU 5.00
23 H 35 LEU H 36 THR 2.83
24 H 35 LEU H 36 THR -2.33
25 CG 35 LEU CZ 46 PHE 7.30
26 CG 35 LEU HZ 46 PHE 5.20
Aminoacid 36 THR
1 CG 36 THR H 31 LYS 6.00
2 CG 36 THR HA 31 LYS 4.07
3 CG 36 THR HA 31 LYS -3.39
4 H 36 THR H 35 LEU 2.83
5 H 36 THR H 35 LEU -2.33
6 H 36 THR CG 36 THR 3.88
7 H 36 THR CG 36 THR -3.23
8 HA 36 THR CG 36 THR 3.50
9 HA 36 THR CG 36 THR -2.87
10 HA 36 THR H 37 LYS 5.00
11 CG 36 THR H 37 LYS 5.00
12 HA 36 THR H 41 LYS 3.77
13 HA 36 THR H 41 LYS -3.27
14 CG 36 THR H 41 LYS 5.00
15 CG 36 THR HA 41 LYS 6.00
16 CG 36 THR Hb3 95 CYS 5.00
17 CG 36 THR Hb2 95 CYS 3.81
18 CG 36 THR Hb2 95 CYS -3.01
19 HB 36 THR Hb2 95 CYS 5.00
20 HA 36 THR HA 40 CYS 3.00
21 CG 36 THR HH 97 TYR 4.70
22 CG 36 THR HH 97 TYR -3.92
23 CG 36 THR HE2 97 TYR 4.82
24 CG 36 THR HE2 97 TYR -4.03
25 CG 36 THR HD2 97 TYR 6.00
Aminoacid 37 LYS
1 PB 37 LYS HA 34 ASN 4.90
2 H 37 LYS HA 36 THR 5.00
3 H 37 LYS CG 36 THR 5.00
4 PB 37 LYS HA 37 LYS 3.90
5 PB 37 LYS H 38 ASP 4.90
6 H 37 LYS H 38 ASP 2.95
7 H 37 LYS H 38 ASP -2.45
8 HA 37 LYS H 38 ASP 3.00
9 HA 37 LYS PG 37 LYS 4.90
10 H 37 LYS H 39 ARG 5.00
11 HA 37 LYS HD1 92 TYR 5.00
12 HA 37 LYS PD 37 LYS 4.90
Aminoacid 38 ASP
1 H 38 ASP PB 37 LYS 4.90
2 H 38 ASP H 37 LYS 2.95
3 H 38 ASP H 37 LYS -2.45
4 H 38 ASP HA 37 LYS 3.00
5 PB 38 ASP HA 38 ASP 3.90
6 H 38 ASP H 39 ARG 2.59
7 H 38 ASP H 39 ARG -2.09
8 HA 38 ASP HD1 92 TYR 5.00
9 H 38 ASP HD1 92 TYR 5.00
Aminoacid 39 ARG
1 H 39 ARG H 37 LYS 5.00
2 H 39 ARG H 38 ASP 2.59
3 H 39 ARG H 38 ASP -2.09
4 H 39 ARG Hb3 39 ARG 3.16
5 H 39 ARG Hb3 39 ARG -2.66
6 H 39 ARG Hb2 39 ARG 3.43
7 H 39 ARG Hb2 39 ARG -2.93
8 HA 39 ARG Hb3 39 ARG 3.00
9 HA 39 ARG Hb2 39 ARG 2.32
10 HA 39 ARG Hb2 39 ARG -1.82
11 HA 39 ARG Hg3 39 ARG 5.00
12 HA 39 ARG Hg2 39 ARG 5.00
13 PD 39 ARG PB 39 ARG 4.90
14 PD 39 ARG PG 39 ARG 4.90
15 H 39 ARG Hg3 39 ARG 3.25
16 H 39 ARG Hg3 39 ARG -2.75
17 HE 39 ARG PD 39 ARG 4.90
18 Hb2 39 ARG H 40 CYS 3.25
19 Hb2 39 ARG H 40 CYS -2.75
20 Hb3 39 ARG H 40 CYS 2.68
21 Hb3 39 ARG H 40 CYS -2.18
22 HA 39 ARG H 40 CYS 2.55
23 HA 39 ARG H 40 CYS -2.05
24 HA 39 ARG HD1 92 TYR 4.00
Aminoacid 40 CYS
1 HA 40 CYS HA 36 THR 3.00
2 H 40 CYS Hb2 39 ARG 3.25
3 H 40 CYS Hb2 39 ARG -2.75
4 H 40 CYS Hb3 39 ARG 2.68
5 H 40 CYS Hb3 39 ARG -2.18
6 H 40 CYS HA 39 ARG 2.55
7 H 40 CYS HA 39 ARG -2.05
8 H 40 CYS Hb3 40 CYS 3.68
9 H 40 CYS Hb3 40 CYS -3.18
10 H 40 CYS Hb2 40 CYS 3.16
11 H 40 CYS Hb2 40 CYS -2.66
12 HA 40 CYS Hb3 40 CYS 3.00
13 HA 40 CYS Hb2 40 CYS 4.00
14 Hb3 40 CYS H 41 LYS 4.00
15 HA 40 CYS H 41 LYS 4.00
16 H 40 CYS Hb2 92 TYR 4.53
17 H 40 CYS Hb2 92 TYR -3.24
18 Hb3 40 CYS HH 97 TYR 3.20
19 Hb3 40 CYS HH 97 TYR -2.70
20 HA 40 CYS HD1 92 TYR 5.00
21 H 40 CYS HD1 92 TYR 5.00
Aminoacid 41 LYS
1 H 41 LYS HA 36 THR 3.77
2 H 41 LYS HA 36 THR -3.27
3 H 41 LYS CG 36 THR 5.00
4 HA 41 LYS CG 36 THR 6.00
5 H 41 LYS Hb3 40 CYS 4.00
6 H 41 LYS HA 40 CYS 4.00
7 H 41 LYS Hb3 41 LYS 2.69
8 H 41 LYS Hb3 41 LYS -2.19
9 H 41 LYS Hb2 41 LYS 2.80
10 H 41 LYS Hb2 41 LYS -2.30
11 H 41 LYS Hg2 41 LYS 3.63
12 H 41 LYS Hg2 41 LYS -2.21
13 HA 41 LYS Hb2 41 LYS 4.00
14 HA 41 LYS Hb3 41 LYS 3.12
15 HA 41 LYS Hb3 41 LYS -2.62
16 HA 41 LYS PG 41 LYS 4.90
17 PE 41 LYS PD 41 LYS 5.80
18 PE 41 LYS PG 41 LYS 5.80
19 PD 41 LYS PB 41 LYS 5.80
20 Hg3 41 LYS Hd3 42 PRO 5.00
21 Hg3 41 LYS Hd2 42 PRO 2.92
22 Hg3 41 LYS Hd2 42 PRO -2.42
23 Hg2 41 LYS Hd3 42 PRO 5.00
24 Hg2 41 LYS Hd2 42 PRO 3.79
25 Hg2 41 LYS Hd2 42 PRO -3.29
26 HA 41 LYS Hd3 42 PRO 3.00
27 HA 41 LYS Hd2 42 PRO 3.00
28 Hb3 41 LYS HH 97 TYR 4.00
29 Hg3 41 LYS H 43 VAL 4.00
30 Hg2 41 LYS H 43 VAL 2.46
31 Hg2 41 LYS H 43 VAL -1.96
32 H 41 LYS HH 97 TYR 3.15
33 H 41 LYS HH 97 TYR -2.65
34 Hg3 41 LYS Hd2 42 PRO 2.92
35 Hg3 41 LYS Hd2 42 PRO -2.42
36 Hg2 41 LYS Hd2 42 PRO 3.79
37 Hg2 41 LYS Hd2 42 PRO -3.29
Aminoacid 42 PRO
1 Hd3 42 PRO Hg3 41 LYS 5.00
2 Hd2 42 PRO Hg3 41 LYS 2.92
3 Hd2 42 PRO Hg3 41 LYS -2.42
4 Hd3 42 PRO Hg2 41 LYS 5.00
5 Hd2 42 PRO Hg2 41 LYS 3.79
6 Hd2 42 PRO Hg2 41 LYS -3.29
7 Hd3 42 PRO HA 41 LYS 3.00
8 Hd2 42 PRO HA 41 LYS 3.00
9 Hd2 42 PRO Hg3 41 LYS 2.92
10 Hd2 42 PRO Hg3 41 LYS -2.42
11 Hd2 42 PRO Hg2 41 LYS 3.79
12 Hd2 42 PRO Hg2 41 LYS -3.29
13 Hb3 42 PRO Hd3 42 PRO 4.39
14 Hb3 42 PRO Hd3 42 PRO -3.13
15 Hg3 42 PRO Hd2 42 PRO 3.78
16 Hg3 42 PRO Hd2 42 PRO -2.70
17 Hg2 42 PRO Hd2 42 PRO 2.92
18 Hg2 42 PRO Hd2 42 PRO -2.30
19 HA 42 PRO PG 42 PRO 3.90
20 HA 42 PRO Hb3 42 PRO 3.00
21 HA 42 PRO Hb2 42 PRO 3.00
22 HA 42 PRO PB 86 GLU 3.90
23 Hb2 42 PRO CB 43 VAL 6.20
Aminoacid 43 VAL
1 HA 43 VAL H 86 GLU 3.86
2 HA 43 VAL H 86 GLU -3.36
3 H 43 VAL Hg3 41 LYS 4.00
4 H 43 VAL Hg2 41 LYS 2.46
5 H 43 VAL Hg2 41 LYS -1.96
6 CB 43 VAL Hb2 42 PRO 6.20
7 H 43 VAL CB 43 VAL 5.20
8 H 43 VAL HB 43 VAL 3.00
9 HA 43 VAL CB 43 VAL 5.20
10 HA 43 VAL HB 43 VAL 2.57
11 HA 43 VAL HB 43 VAL -2.07
12 HA 43 VAL H 44 ASN 2.38
13 HA 43 VAL H 44 ASN -1.88
14 CB 43 VAL H 44 ASN 5.20
15 CB 43 VAL H 86 GLU 7.20
16 CB 43 VAL HA 85 ARG 6.20
17 CB 43 VAL HA 44 ASN 7.20
18 HB 43 VAL HA 85 ARG 5.00
19 HA 43 VAL PB 85 ARG 5.90
20 CB 43 VAL H 84 CYS 7.20
21 CB 43 VAL PD 85 ARG 8.10
22 CB 43 VAL PG 85 ARG 7.10
23 HA 43 VAL HA 85 ARG 3.00
24 CB 43 VAL ND2 44 ASN 8.30
Aminoacid 44 ASN
1 HA 44 ASN HE1 12 HIS 4.00
2 PB 44 ASN CE 30 MET 5.90
3 H 44 ASN HA 43 VAL 2.38
4 H 44 ASN HA 43 VAL -1.88
5 H 44 ASN CB 43 VAL 5.20
6 HA 44 ASN CB 43 VAL 7.20
7 ND2 44 ASN CB 43 VAL 8.30
8 H 44 ASN Hb3 44 ASN 3.51
9 H 44 ASN Hb3 44 ASN -3.01
10 H 44 ASN Hb2 44 ASN 4.00
11 HA 44 ASN Hb3 44 ASN 4.00
12 HA 44 ASN Hb2 44 ASN 3.00
13 H 44 ASN HA 85 ARG 5.00
14 HA 44 ASN H 45 THR 4.00
15 H 44 ASN Hb3 84 CYS 4.02
16 H 44 ASN Hb3 84 CYS -3.52
17 H 44 ASN Hb2 84 CYS 3.80
18 H 44 ASN Hb2 84 CYS -3.30
19 H 44 ASN PB 85 ARG 5.90
20 H 44 ASN H 84 CYS 5.00
21 HD21 44 ASN Hb3 44 ASN 3.00
Aminoacid 45 THR
1 H 45 THR HD1 12 HIS 4.00
2 H 45 THR HE1 12 HIS 3.00
3 H 45 THR HE1 12 HIS -2.50
4 HB 45 THR HD1 12 HIS 5.00
5 H 45 THR HA 44 ASN 4.00
6 H 45 THR HB 45 THR 3.00
7 CG 45 THR H 45 THR 4.78
8 CG 45 THR H 45 THR -3.70
9 HA 45 THR HB 45 THR 3.14
10 HA 45 THR HB 45 THR -2.64
11 CG 45 THR HA 45 THR 3.74
12 CG 45 THR HA 45 THR -3.04
13 HA 45 THR H 46 PHE 3.00
14 CG 45 THR H 46 PHE 3.66
15 CG 45 THR H 46 PHE -3.06
16 CG 45 THR H 47 VAL 6.00
17 HA 45 THR PB 83 ASP 4.90
18 CG 45 THR H 82 THR 4.42
19 CG 45 THR H 82 THR -3.77
20 CG 45 THR HA 81 ILE 4.64
21 CG 45 THR HA 81 ILE -3.53
22 CG 45 THR HB 81 ILE 3.35
23 CG 45 THR HB 81 ILE -2.65
24 CG 45 THR HZ 120 PHE 4.00
25 HB 45 THR HE1 120 PHE 5.00
26 HA 45 THR CG 46 PHE 7.10
27 HB 45 THR HD1 120 PHE 3.97
28 HB 45 THR HD1 120 PHE -3.47
29 CG 45 THR HD1 120 PHE 4.00
30 HB 45 THR HZ 120 PHE 5.00
Aminoacid 46 PHE
1 HE1 46 PHE HA 11 GLN 4.00
2 HD1 46 PHE HA 12 HIS 3.00
3 HA 46 PHE HA 13 MET 5.00
4 HD1 46 PHE HA 13 MET 5.00
5 PB 46 PHE H 14 ASP 5.90
6 HD1 46 PHE PB 14 ASP 4.90
7 HD2 46 PHE HE2 25 TYR 2.93
8 HD2 46 PHE HE2 25 TYR -2.43
9 Hb3 46 PHE HE2 25 TYR 5.00
10 Hb2 46 PHE HE2 25 TYR 4.00
11 CG 46 PHE PG 29 MET 8.10
12 CZ 46 PHE PG 29 MET 8.10
13 HE2 46 PHE PB 29 MET 4.90
14 HZ 46 PHE HA 30 MET 3.00
15 HE2 46 PHE HA 30 MET 2.66
16 HE2 46 PHE HA 30 MET -2.16
17 HE2 46 PHE PG 30 MET 5.90
18 HZ 46 PHE Hb2 33 ARG 4.00
19 HE1 46 PHE PB 33 ARG 7.10
20 CG 46 PHE PG 33 ARG 7.00
21 CZ 46 PHE CG 35 LEU 7.30
22 HZ 46 PHE CG 35 LEU 5.20
23 H 46 PHE HA 45 THR 3.00
24 H 46 PHE CG 45 THR 3.66
25 H 46 PHE CG 45 THR -3.06
26 CG 46 PHE HA 45 THR 7.10
27 H 46 PHE Hb3 46 PHE 4.00
28 Hb2 46 PHE H 46 PHE 3.22
29 Hb2 46 PHE H 46 PHE -2.72
30 HD2 46 PHE H 46 PHE 4.00
31 HA 46 PHE Hb3 46 PHE 3.00
32 HA 46 PHE Hb2 46 PHE 4.00
33 HA 46 PHE H 47 VAL 3.00
34 Hb3 46 PHE H 47 VAL 3.00
35 Hb2 46 PHE H 47 VAL 3.00
36 H 46 PHE H 82 THR 3.71
37 H 46 PHE H 82 THR -3.21
38 Hb3 46 PHE H 82 THR 5.00
39 Hb2 46 PHE HE1 48 HIS 5.00
40 Hb3 46 PHE HB 82 THR 4.29
41 Hb3 46 PHE HB 82 THR -3.76
42 Hb2 46 PHE HB 82 THR 3.03
43 Hb2 46 PHE HB 82 THR -2.53
44 H 46 PHE HB 82 THR 3.98
45 H 46 PHE HB 82 THR -3.48
46 HD2 46 PHE HB 82 THR 3.36
47 HD2 46 PHE HB 82 THR -2.25
48 HD1 46 PHE HA 46 PHE 3.00
49 PB 46 PHE CG 82 THR 6.90
Aminoacid 47 VAL
1 H 47 VAL HA 12 HIS 5.00
2 CG1 47 VAL HA 12 HIS 6.00
3 HB 47 VAL HA 13 MET 2.97
4 HB 47 VAL HA 13 MET -2.47
5 H 47 VAL HA 13 MET 3.18
6 H 47 VAL HA 13 MET -2.68
7 H 47 VAL CE 13 MET 7.00
8 H 47 VAL H 14 ASP 4.60
9 H 47 VAL H 14 ASP -4.10
10 H 47 VAL CG 45 THR 6.00
11 H 47 VAL HA 46 PHE 3.00
12 H 47 VAL Hb3 46 PHE 3.00
13 H 47 VAL Hb2 46 PHE 3.00
14 HA 47 VAL H 48 HIS 2.65
15 HA 47 VAL H 48 HIS -2.15
16 H 47 VAL HB 47 VAL 2.59
17 H 47 VAL HB 47 VAL -2.09
18 H 47 VAL CG2 47 VAL 4.00
19 CG2 47 VAL HA 47 VAL 4.09
20 CG2 47 VAL HA 47 VAL -3.32
21 CG1 47 VAL HA 47 VAL 3.68
22 CG1 47 VAL HA 47 VAL -3.00
23 HB 47 VAL HA 47 VAL 4.00
24 CG1 47 VAL H 48 HIS 4.03
25 CG1 47 VAL H 48 HIS -3.32
26 HA 47 VAL CG2 81 ILE 4.04
27 HA 47 VAL CG2 81 ILE -3.26
28 HA 47 VAL HA 81 ILE 2.72
29 HA 47 VAL HA 81 ILE -2.22
30 CG1 47 VAL HA 81 ILE 5.59
31 CG1 47 VAL HA 81 ILE -4.77
32 HA 47 VAL H 81 ILE 5.00
33 CG2 47 VAL H 82 THR 6.00
34 HA 47 VAL H 82 THR 4.84
35 CG1 47 VAL PG 49 GLU 6.90
36 CG1 47 VAL Hb2 49 GLU 5.00
37 HA 47 VAL HD2 48 HIS 4.00
38 CG2 47 VAL HD2 120 PHE 4.63
39 CG2 47 VAL HD2 120 PHE -3.89
40 CG2 47 VAL HE2 120 PHE 3.50
41 CG2 47 VAL HE2 120 PHE -2.80
42 CG2 47 VAL HZ 120 PHE 5.00
Aminoacid 48 HIS
1 HE1 48 HIS PB 14 ASP 3.90
2 HA 48 HIS HA 15 SER 3.51
3 HA 48 HIS HA 15 SER -3.01
4 HE1 48 HIS HB 17 THR 5.00
5 HE1 48 HIS CG 17 THR 5.00
6 PB 48 HIS HA 18 SER 3.90
7 HD2 48 HIS HA 19 ALA 3.35
8 HD2 48 HIS HA 19 ALA -2.85
9 HE1 48 HIS HA 19 ALA 4.87
10 HE1 48 HIS HA 19 ALA -4.10
11 HE1 48 HIS CB 20 ALA 4.87
12 HE1 48 HIS CB 20 ALA -4.01
13 HE1 48 HIS HA 20 ALA 3.57
14 HE1 48 HIS HA 20 ALA -3.07
15 HD2 48 HIS CB 20 ALA 7.00
16 HE1 48 HIS HE1 25 TYR 3.93
17 HE1 48 HIS HE1 25 TYR -3.43
18 HE1 48 HIS Hb2 46 PHE 5.00
19 H 48 HIS HA 47 VAL 2.65
20 H 48 HIS HA 47 VAL -2.15
21 H 48 HIS CG1 47 VAL 4.03
22 H 48 HIS CG1 47 VAL -3.32
23 HD2 48 HIS HA 47 VAL 4.00
24 H 48 HIS Hb3 48 HIS 5.00
25 H 48 HIS Hb2 48 HIS 3.32
26 H 48 HIS Hb2 48 HIS -2.82
27 HA 48 HIS Hb3 48 HIS 2.90
28 HA 48 HIS Hb3 48 HIS -2.40
29 HA 48 HIS Hb2 48 HIS 5.42
30 HA 48 HIS Hb2 48 HIS -3.41
31 HD2 48 HIS H 48 HIS 3.34
32 HD2 48 HIS H 48 HIS -2.84
33 HA 48 HIS H 49 GLU 2.81
34 HA 48 HIS H 49 GLU -2.31
35 H 48 HIS H 49 GLU 3.82
36 H 48 HIS H 49 GLU -3.32
37 H 48 HIS CG2 81 ILE 4.82
38 H 48 HIS CG2 81 ILE -3.90
39 Hb3 48 HIS PB 80 SER 5.90
40 Hb2 48 HIS PB 80 SER 3.90
41 H 48 HIS HA 81 ILE 3.68
42 H 48 HIS HA 81 ILE -3.18
43 H 48 HIS PB 80 SER 5.90
44 HD2 48 HIS Hb3 48 HIS 5.09
45 HD2 48 HIS Hb3 48 HIS -3.60
46 HD2 48 HIS Hb2 48 HIS 3.25
47 HD2 48 HIS Hb2 48 HIS -2.75
48 HD2 48 HIS HA 81 ILE 2.98
49 HD2 48 HIS HA 81 ILE -2.48
50 HD2 48 HIS CG 82 THR 4.70
51 HD2 48 HIS CG 82 THR -3.99
52 HD2 48 HIS H 82 THR 3.69
53 HD2 48 HIS H 82 THR -3.19
54 HD2 48 HIS PB 80 SER 4.90
55 HD2 48 HIS HB 82 THR 5.00
56 HE1 48 HIS HB 82 THR 5.00
Aminoacid 49 GLU
1 PG 49 GLU CG1 47 VAL 6.90
2 Hb2 49 GLU CG1 47 VAL 5.00
3 H 49 GLU HA 48 HIS 2.81
4 H 49 GLU HA 48 HIS -2.31
5 H 49 GLU H 48 HIS 3.82
6 H 49 GLU H 48 HIS -3.32
7 H 49 GLU Hb3 49 GLU 3.27
8 H 49 GLU Hb3 49 GLU -2.77
9 H 49 GLU Hb2 49 GLU 3.00
10 H 49 GLU PG 49 GLU 3.90
11 HA 49 GLU H 49 GLU 3.65
12 HA 49 GLU H 49 GLU -3.15
13 Hb3 49 GLU PG 49 GLU 4.90
14 Hb2 49 GLU PG 49 GLU 3.90
15 HA 49 GLU Hb3 49 GLU 5.00
16 HA 49 GLU Hb2 49 GLU 5.00
17 HA 49 GLU PG 49 GLU 3.90
18 Hb3 49 GLU H 50 SER 4.00
19 HA 49 GLU H 50 SER 3.00
20 PG 49 GLU H 50 SER 5.90
21 PG 49 GLU Hb3 79 MET 5.90
22 Hb3 49 GLU PB 53 ASP 4.90
23 PB 49 GLU HG 50 SER 3.90
Aminoacid 50 SER
1 HA 50 SER PB 15 SER 4.90
2 H 50 SER Hb3 49 GLU 4.00
3 H 50 SER HA 49 GLU 3.00
4 H 50 SER PG 49 GLU 5.90
5 H 50 SER PB 50 SER 4.90
6 HA 50 SER PB 50 SER 4.90
7 HA 50 SER H 51 LEU 2.69
8 HA 50 SER H 51 LEU -2.19
9 H 50 SER H 53 ASP 5.00
10 H 50 SER PB 53 ASP 4.90
11 HG 50 SER PB 53 ASP 4.90
12 HG 50 SER PB 49 GLU 3.90
Aminoacid 51 LEU
1 CG 51 LEU HE2 8 PHE 7.20
2 CG 51 LEU HD2 8 PHE 5.20
3 CG 51 LEU PG 13 MET 7.10
4 CG 51 LEU PB 13 MET 7.10
5 HA 51 LEU CE 13 MET 3.47
6 HA 51 LEU CE 13 MET -2.76
7 H 51 LEU HA 50 SER 2.69
8 H 51 LEU HA 50 SER -2.19
9 HA 51 LEU CG 51 LEU 5.20
10 H 51 LEU Hb3 51 LEU 2.74
11 H 51 LEU Hb3 51 LEU -2.24
12 H 51 LEU Hb2 51 LEU 2.79
13 H 51 LEU Hb2 51 LEU -2.29
14 H 51 LEU HG 51 LEU 3.59
15 H 51 LEU HG 51 LEU -3.09
16 CG 51 LEU PG 55 GLN 7.10
17 HA 51 LEU HG 51 LEU 5.00
18 HA 51 LEU Hb3 51 LEU 5.00
19 Hb2 51 LEU HA 51 LEU 2.56
20 Hb2 51 LEU HA 51 LEU -2.06
21 Hb3 51 LEU H 52 ALA 3.00
22 Hb2 51 LEU H 52 ALA 3.47
23 Hb2 51 LEU H 52 ALA -2.97
24 H 51 LEU H 52 ALA 3.08
25 H 51 LEU H 52 ALA -2.58
26 HA 51 LEU H 54 VAL 3.23
27 HA 51 LEU H 54 VAL -2.73
28 HG 51 LEU H 55 GLN 4.00
29 HG 51 LEU H 54 VAL 5.00
30 HG 51 LEU PG 55 GLN 4.90
31 CG 51 LEU Hb3 55 GLN 7.20
32 CG 51 LEU Hb2 55 GLN 7.20
33 HA 51 LEU HB 54 VAL 4.00
34 CG 51 LEU NE2 55 GLN 8.30
35 HG 51 LEU NE2 55 GLN 6.10
Aminoacid 52 ALA
1 H 52 ALA Hb3 51 LEU 3.00
2 H 52 ALA Hb2 51 LEU 3.47
3 H 52 ALA Hb2 51 LEU -2.97
4 H 52 ALA H 51 LEU 3.08
5 H 52 ALA H 51 LEU -2.58
6 CB 52 ALA H 52 ALA 3.14
7 CB 52 ALA H 52 ALA -2.46
8 HA 52 ALA H 53 ASP 5.00
9 CB 52 ALA H 53 ASP 4.00
10 CB 52 ALA H 53 ASP -3.23
11 H 52 ALA H 53 ASP 3.05
12 H 52 ALA H 53 ASP -2.55
13 HA 52 ALA H 55 GLN 4.00
14 HA 52 ALA PG 55 GLN 5.90
15 HA 52 ALA H 56 ALA 5.00
16 HA 52 ALA Hb2 55 GLN 4.00
Aminoacid 53 ASP
1 PB 53 ASP Hb3 49 GLU 4.90
2 H 53 ASP H 50 SER 5.00
3 PB 53 ASP H 50 SER 4.90
4 PB 53 ASP HG 50 SER 4.90
5 H 53 ASP HA 52 ALA 5.00
6 H 53 ASP CB 52 ALA 4.00
7 H 53 ASP CB 52 ALA -3.23
8 H 53 ASP H 52 ALA 3.05
9 H 53 ASP H 52 ALA -2.55
10 H 53 ASP PB 53 ASP 3.90
11 HA 53 ASP PB 53 ASP 3.90
12 PB 53 ASP H 54 VAL 4.90
13 PB 53 ASP H 56 ALA 5.90
14 HA 53 ASP H 56 ALA 3.60
15 HA 53 ASP H 56 ALA -3.10
16 HA 53 ASP CB 56 ALA 4.19
17 HA 53 ASP CB 56 ALA -3.51
18 H 53 ASP H 55 GLN 5.00
Aminoacid 54 VAL
1 CG1 54 VAL HE2 8 PHE 4.00
2 CG2 54 VAL HE2 8 PHE 5.00
3 CG1 54 VAL HZ 8 PHE 6.00
4 CG2 54 VAL HZ 8 PHE 6.00
5 CG1 54 VAL CE 13 MET 5.00
6 H 54 VAL HA 51 LEU 3.23
7 H 54 VAL HA 51 LEU -2.73
8 H 54 VAL HG 51 LEU 5.00
9 HB 54 VAL HA 51 LEU 4.00
10 H 54 VAL PB 53 ASP 4.90
11 HA 54 VAL H 55 GLN 3.66
12 HA 54 VAL H 55 GLN -3.16
13 H 54 VAL HB 54 VAL 2.47
14 H 54 VAL HB 54 VAL -1.97
15 H 54 VAL CG2 54 VAL 3.32
16 H 54 VAL CG2 54 VAL -2.68
17 H 54 VAL CG1 54 VAL 5.00
18 CG2 54 VAL HA 54 VAL 4.00
19 CG1 54 VAL HA 54 VAL 4.00
20 CG1 54 VAL H 55 GLN 5.00
21 CG2 54 VAL H 55 GLN 6.00
22 H 54 VAL H 55 GLN 2.62
23 H 54 VAL H 55 GLN -2.12
24 HB 54 VAL H 55 GLN 3.00
25 HA 54 VAL H 57 VAL 3.34
26 HA 54 VAL H 57 VAL -2.84
27 HA 54 VAL H 56 ALA 5.00
28 CG1 54 VAL H 56 ALA 6.00
29 HB 54 VAL H 56 ALA 5.00
30 HA 54 VAL CE 79 MET 3.71
31 HA 54 VAL CE 79 MET -3.01
Aminoacid 55 GLN
1 PG 55 GLN CG 51 LEU 7.10
2 H 55 GLN HG 51 LEU 4.00
3 PG 55 GLN HG 51 LEU 4.90
4 Hb3 55 GLN CG 51 LEU 7.20
5 Hb2 55 GLN CG 51 LEU 7.20
6 NE2 55 GLN CG 51 LEU 8.30
7 NE2 55 GLN HG 51 LEU 6.10
8 H 55 GLN HA 52 ALA 4.00
9 PG 55 GLN HA 52 ALA 5.90
10 Hb2 55 GLN HA 52 ALA 4.00
11 H 55 GLN H 53 ASP 5.00
12 H 55 GLN HA 54 VAL 3.66
13 H 55 GLN HA 54 VAL -3.16
14 H 55 GLN CG1 54 VAL 5.00
15 H 55 GLN CG2 54 VAL 6.00
16 H 55 GLN H 54 VAL 2.62
17 H 55 GLN H 54 VAL -2.12
18 H 55 GLN HB 54 VAL 3.00
19 H 55 GLN Hb3 55 GLN 5.00
20 H 55 GLN Hb2 55 GLN 3.00
21 H 55 GLN PG 55 GLN 3.90
22 PG 55 GLN Hb2 55 GLN 4.00
23 HA 55 GLN PG 55 GLN 3.90
24 Hb3 55 GLN HA 55 GLN 2.59
25 Hb3 55 GLN HA 55 GLN -2.09
26 HA 55 GLN Hb2 55 GLN 4.00
27 HA 55 GLN H 56 ALA 3.30
28 HA 55 GLN H 56 ALA -2.80
29 Hb3 55 GLN H 56 ALA 4.00
30 Hb2 55 GLN H 56 ALA 2.95
31 Hb2 55 GLN H 56 ALA -2.45
32 HA 55 GLN H 56 ALA 3.30
33 HA 55 GLN H 56 ALA -2.80
34 H 55 GLN H 56 ALA 2.75
35 H 55 GLN H 56 ALA -2.25
36 Hb3 55 GLN H 57 VAL 5.00
37 HA 55 GLN H 57 VAL 3.46
38 HA 55 GLN H 57 VAL -2.96
39 H 55 GLN H 57 VAL 4.48
40 H 55 GLN H 57 VAL -3.89
41 HA 55 GLN H 58 CYS 5.00
42 PB 55 GLN PG 117 PRO 5.80
43 HE22 55 GLN CG1 116 VAL 5.00
44 HE21 55 GLN CG1 116 VAL 5.00
45 NE2 55 GLN Hb2 55 GLN 4.00
Aminoacid 56 ALA
1 H 56 ALA HA 52 ALA 5.00
2 H 56 ALA PB 53 ASP 5.90
3 H 56 ALA HA 53 ASP 3.60
4 H 56 ALA HA 53 ASP -3.10
5 CB 56 ALA HA 53 ASP 4.19
6 CB 56 ALA HA 53 ASP -3.51
7 H 56 ALA HA 54 VAL 5.00
8 H 56 ALA CG1 54 VAL 6.00
9 H 56 ALA HB 54 VAL 5.00
10 H 56 ALA HA 55 GLN 3.30
11 H 56 ALA HA 55 GLN -2.80
12 H 56 ALA Hb3 55 GLN 4.00
13 H 56 ALA Hb2 55 GLN 2.95
14 H 56 ALA Hb2 55 GLN -2.45
15 H 56 ALA HA 55 GLN 3.30
16 H 56 ALA HA 55 GLN -2.80
17 H 56 ALA H 55 GLN 2.75
18 H 56 ALA H 55 GLN -2.25
19 H 56 ALA CB 56 ALA 3.19
20 H 56 ALA CB 56 ALA -2.58
21 CB 56 ALA H 57 VAL 4.05
22 CB 56 ALA H 57 VAL -3.42
23 CB 56 ALA CG2 57 VAL 6.00
24 HA 56 ALA H 57 VAL 4.00
25 CB 56 ALA HA 57 VAL 6.00
26 HA 56 ALA H 59 SER 4.14
27 HA 56 ALA H 59 SER -3.64
28 CB 56 ALA NE2 60 GLN 6.10
Aminoacid 57 VAL
1 H 57 VAL HA 54 VAL 3.34
2 H 57 VAL HA 54 VAL -2.84
3 H 57 VAL Hb3 55 GLN 5.00
4 H 57 VAL HA 55 GLN 3.46
5 H 57 VAL HA 55 GLN -2.96
6 H 57 VAL H 55 GLN 4.48
7 H 57 VAL H 55 GLN -3.89
8 H 57 VAL CB 56 ALA 4.05
9 H 57 VAL CB 56 ALA -3.42
10 CG2 57 VAL CB 56 ALA 6.00
11 H 57 VAL HA 56 ALA 4.00
12 HA 57 VAL CB 56 ALA 6.00
13 HA 57 VAL H 58 CYS 3.97
14 HA 57 VAL H 58 CYS -3.47
15 H 57 VAL CG2 57 VAL 4.00
16 H 57 VAL CG1 57 VAL 5.00
17 H 57 VAL HB 57 VAL 3.00
18 HA 57 VAL CG2 57 VAL 4.00
19 CG1 57 VAL HA 57 VAL 3.56
20 CG1 57 VAL HA 57 VAL -2.89
21 CG1 57 VAL H 58 CYS 6.00
22 HB 57 VAL H 58 CYS 4.00
23 HA 57 VAL H 59 SER 3.63
24 HA 57 VAL H 59 SER -3.13
25 CG2 57 VAL CE 79 MET 5.00
26 HB 57 VAL CG2 108 VAL 3.67
27 HB 57 VAL CG2 108 VAL -2.98
28 CG2 57 VAL PB 75 SER 4.90
29 CG1 57 VAL PB 75 SER 5.90
30 CG2 57 VAL HA 75 SER 5.00
31 CG1 57 VAL HA 75 SER 6.00
32 CG1 57 VAL HA 74 GLN 5.00
33 HA 57 VAL H 60 GLN 5.00
34 CG2 57 VAL H 60 GLN 6.00
35 CG1 57 VAL H 60 GLN 6.00
36 HA 57 VAL CE 79 MET 6.00
37 HA 57 VAL PB 60 GLN 5.90
38 H 57 VAL CG2 108 VAL 6.00
39 H 57 VAL CG1 108 VAL 6.00
40 HA 57 VAL HE21 60 GLN 5.00
41 HA 57 VAL HE22 60 GLN 3.68
42 HA 57 VAL HE22 60 GLN -3.18
43 CG2 57 VAL NE2 60 GLN 7.10
44 CG2 57 VAL H 106 ILE 6.00
Aminoacid 58 CYS
1 H 58 CYS HA 55 GLN 5.00
2 H 58 CYS HA 57 VAL 3.97
3 H 58 CYS HA 57 VAL -3.47
4 H 58 CYS CG1 57 VAL 6.00
5 H 58 CYS HB 57 VAL 4.00
6 H 58 CYS Hb3 58 CYS 3.14
7 H 58 CYS Hb3 58 CYS -2.64
8 H 58 CYS Hb2 58 CYS 2.83
9 H 58 CYS Hb2 58 CYS -2.33
10 Hb3 58 CYS HA 58 CYS 2.74
11 Hb3 58 CYS HA 58 CYS -2.24
12 Hb2 58 CYS HA 58 CYS 2.78
13 Hb2 58 CYS HA 58 CYS -2.28
14 HA 58 CYS H 59 SER 4.00
15 Hb3 58 CYS H 59 SER 5.00
16 Hb2 58 CYS H 59 SER 5.00
17 HA 58 CYS H 60 GLN 5.00
18 HA 58 CYS Hb3 73 TYR 3.81
19 HA 58 CYS Hb3 73 TYR -2.86
20 HA 58 CYS Hb2 73 TYR 2.79
21 HA 58 CYS Hb2 73 TYR -2.29
22 HA 58 CYS CG2 108 VAL 6.00
23 HA 58 CYS HD2 73 TYR 3.38
24 HA 58 CYS HD2 73 TYR -2.71
25 HA 58 CYS HE2 73 TYR 4.87
26 HA 58 CYS HE2 73 TYR -3.53
27 Hb3 58 CYS HD2 115 TYR 2.85
28 Hb3 58 CYS HD2 115 TYR -2.35
29 Hb2 58 CYS HE2 115 TYR 4.00
Aminoacid 59 SER
1 H 59 SER HA 56 ALA 4.14
2 H 59 SER HA 56 ALA -3.64
3 H 59 SER HA 57 VAL 3.63
4 H 59 SER HA 57 VAL -3.13
5 H 59 SER HA 58 CYS 4.00
6 H 59 SER Hb3 58 CYS 5.00
7 H 59 SER Hb2 58 CYS 5.00
8 H 59 SER PB 59 SER 5.90
9 H 59 SER HA 59 SER 3.00
10 PB 59 SER HA 59 SER 3.90
11 H 59 SER PG 60 GLN 5.90
12 HA 59 SER H 60 GLN 4.00
13 H 59 SER H 60 GLN 3.00
Aminoacid 60 GLN
1 NE2 60 GLN CB 56 ALA 6.10
2 H 60 GLN HA 57 VAL 5.00
3 H 60 GLN CG2 57 VAL 6.00
4 H 60 GLN CG1 57 VAL 6.00
5 PB 60 GLN HA 57 VAL 5.90
6 HE21 60 GLN HA 57 VAL 5.00
7 HE22 60 GLN HA 57 VAL 3.68
8 HE22 60 GLN HA 57 VAL -3.18
9 NE2 60 GLN CG2 57 VAL 7.10
10 H 60 GLN HA 58 CYS 5.00
11 PG 60 GLN H 59 SER 5.90
12 H 60 GLN HA 59 SER 4.00
13 H 60 GLN H 59 SER 3.00
14 H 60 GLN Hb3 60 GLN 5.00
15 H 60 GLN Hb2 60 GLN 3.02
16 H 60 GLN Hb2 60 GLN -2.52
17 PG 60 GLN PB 60 GLN 5.80
18 H 60 GLN PG 60 GLN 4.90
19 HA 60 GLN Hb3 60 GLN 3.00
20 HA 60 GLN Hb2 60 GLN 4.00
21 HA 60 GLN PG 60 GLN 4.90
22 Hb3 60 GLN H 61 LYS 3.00
23 Hb2 60 GLN H 61 LYS 3.00
24 H 60 GLN H 61 LYS 5.00
25 HA 60 GLN H 61 LYS 5.00
26 H 60 GLN HD1 73 TYR 5.00
27 Hb2 60 GLN HD2 76 TYR 5.00
28 PG 60 GLN HE2 76 TYR 5.00
29 NE2 60 GLN PG 60 GLN 5.00
30 HA 60 GLN HE2 76 TYR 3.06
31 HA 60 GLN HE2 76 TYR -2.56
32 H 60 GLN CG 73 TYR 7.20
33 HA 60 GLN HD2 76 TYR 5.00
Aminoacid 61 LYS
1 H 61 LYS Hb3 60 GLN 3.00
2 H 61 LYS Hb2 60 GLN 3.00
3 H 61 LYS H 60 GLN 5.00
4 H 61 LYS HA 60 GLN 5.00
5 H 61 LYS PB 61 LYS 3.90
6 PB 61 LYS PG 61 LYS 5.80
7 PE 61 LYS PD 61 LYS 5.80
8 HA 61 LYS PB 61 LYS 3.90
9 HA 61 LYS PD 61 LYS 5.90
10 PB 61 LYS H 62 ASN 4.90
11 HA 61 LYS H 62 ASN 3.00
12 H 61 LYS H 62 ASN 5.00
13 H 61 LYS H 74 GLN 3.60
14 H 61 LYS H 74 GLN -3.10
15 PB 61 LYS HD1 76 TYR 4.90
16 PB 61 LYS HE1 76 TYR 4.90
17 PG 61 LYS HD1 76 TYR 5.90
Aminoacid 62 ASN
1 H 62 ASN PB 61 LYS 4.90
2 H 62 ASN HA 61 LYS 3.00
3 H 62 ASN H 61 LYS 5.00
4 ND2 62 ASN Hb2 62 ASN 5.10
5 Hb3 62 ASN HA 62 ASN 2.74
6 Hb3 62 ASN HA 62 ASN -2.24
7 HA 62 ASN Hb2 62 ASN 2.71
8 HA 62 ASN Hb2 62 ASN -2.21
9 H 62 ASN Hb3 62 ASN 2.69
10 H 62 ASN Hb3 62 ASN -2.19
11 H 62 ASN Hb2 62 ASN 3.00
12 HD21 62 ASN HA 62 ASN 2.47
13 HD21 62 ASN HA 62 ASN -1.97
14 HD22 62 ASN HA 62 ASN 4.00
15 Hb3 62 ASN H 63 VAL 5.00
16 Hb2 62 ASN H 63 VAL 3.70
17 Hb2 62 ASN H 63 VAL -3.20
18 HA 62 ASN H 63 VAL 2.47
19 HA 62 ASN H 63 VAL -1.98
20 HA 62 ASN CG2 63 VAL 5.00
21 HA 62 ASN CG1 63 VAL 6.00
22 Hb2 62 ASN H 72 CYS 5.00
23 HA 62 ASN HA 73 TYR 2.85
24 HA 62 ASN HA 73 TYR -2.35
25 H 62 ASN H 74 GLN 5.00
26 HA 62 ASN H 74 GLN 3.58
27 HA 62 ASN H 74 GLN -3.08
28 HD21 62 ASN H 63 VAL 3.00
29 HD22 62 ASN H 63 VAL 3.07
30 HD22 62 ASN H 63 VAL -2.57
31 Hb3 62 ASN HD1 73 TYR 3.81
32 Hb3 62 ASN HD1 73 TYR -3.31
33 Hb2 62 ASN HD1 73 TYR 3.00
34 Hb3 62 ASN HE1 73 TYR 5.00
35 Hb2 62 ASN HE1 73 TYR 4.00
36 ND2 62 ASN HA 71 ASN 5.10
37 ND2 62 ASN H 72 CYS 5.10
38 H 62 ASN HE1 73 TYR 5.00
39 ND2 62 ASN H 62 ASN 6.10
Aminoacid 63 VAL
1 H 63 VAL Hb3 62 ASN 5.00
2 H 63 VAL Hb2 62 ASN 3.70
3 H 63 VAL Hb2 62 ASN -3.20
4 H 63 VAL HA 62 ASN 2.47
5 H 63 VAL HA 62 ASN -1.98
6 CG2 63 VAL HA 62 ASN 5.00
7 CG1 63 VAL HA 62 ASN 6.00
8 H 63 VAL HD21 62 ASN 3.00
9 H 63 VAL HD22 62 ASN 3.07
10 H 63 VAL HD22 62 ASN -2.57
11 H 63 VAL CG2 63 VAL 3.35
12 H 63 VAL CG2 63 VAL -2.60
13 H 63 VAL CG1 63 VAL 5.28
14 H 63 VAL CG1 63 VAL -3.36
15 HA 63 VAL CG2 63 VAL 5.00
16 CG1 63 VAL HA 63 VAL 4.24
17 CG1 63 VAL HA 63 VAL -3.29
18 CG2 63 VAL H 64 ALA 5.00
19 CG1 63 VAL H 64 ALA 6.00
20 HB 63 VAL H 64 ALA 2.37
21 HB 63 VAL H 64 ALA -1.87
22 CG2 63 VAL Hb3 72 CYS 3.62
23 CG2 63 VAL Hb3 72 CYS -2.95
24 CG2 63 VAL Hb2 72 CYS 3.82
25 CG2 63 VAL Hb2 72 CYS -3.18
26 CG2 63 VAL PB 74 GLN 5.90
27 CG1 63 VAL PB 74 GLN 4.90
28 CG2 63 VAL CD 107 ILE 7.00
29 CG2 63 VAL H 74 GLN 4.07
30 CG2 63 VAL H 74 GLN -3.28
31 CG1 63 VAL H 74 GLN 4.47
32 CG1 63 VAL H 74 GLN -3.46
33 CG2 63 VAL H 73 TYR 5.26
34 CG2 63 VAL H 73 TYR -3.22
35 CG1 63 VAL H 73 TYR 5.18
36 CG1 63 VAL H 73 TYR -4.18
37 CG1 63 VAL H 72 CYS 6.00
38 H 63 VAL HA 73 TYR 3.00
39 H 63 VAL HA 73 TYR -2.50
40 CG2 63 VAL HA 72 CYS 5.13
41 CG2 63 VAL HA 72 CYS -4.38
42 CG1 63 VAL HA 74 GLN 5.00
43 CG2 63 VAL HA 73 TYR 4.05
44 CG2 63 VAL HA 73 TYR -3.39
45 CG1 63 VAL HA 73 TYR 5.00
46 H 63 VAL H 74 GLN 5.00
47 H 63 VAL H 72 CYS 4.00
48 CG1 63 VAL Hb3 73 TYR 5.00
49 CG1 63 VAL HD1 73 TYR 6.00
50 CG2 63 VAL HD1 73 TYR 6.00
Aminoacid 64 ALA
1 H 64 ALA CG2 63 VAL 5.00
2 H 64 ALA CG1 63 VAL 6.00
3 H 64 ALA HB 63 VAL 2.37
4 H 64 ALA HB 63 VAL -1.87
5 H 64 ALA CB 64 ALA 3.29
6 H 64 ALA CB 64 ALA -2.67
7 HA 64 ALA H 72 CYS 5.00
8 CB 64 ALA HA 64 ALA 3.42
9 CB 64 ALA HA 64 ALA -2.54
10 CB 64 ALA H 65 CYS 4.07
11 CB 64 ALA H 65 CYS -3.39
12 HA 64 ALA H 65 CYS 3.00
13 CB 64 ALA HA 65 CYS 6.00
14 CB 64 ALA H 68 GLY 4.86
15 CB 64 ALA H 68 GLY -3.86
16 HA 64 ALA CG 70 THR 6.62
17 HA 64 ALA CG 70 THR -5.64
18 CB 64 ALA HA 70 THR 6.00
19 HA 64 ALA HA 70 THR 3.00
20 CB 64 ALA PA 68 GLY 6.90
21 HA 64 ALA HB 70 THR 5.00
Aminoacid 65 CYS
1 H 65 CYS CB 64 ALA 4.07
2 H 65 CYS CB 64 ALA -3.39
3 H 65 CYS HA 64 ALA 3.00
4 HA 65 CYS CB 64 ALA 6.00
5 H 65 CYS Hb3 65 CYS 4.00
6 H 65 CYS Hb2 65 CYS 3.43
7 H 65 CYS Hb2 65 CYS -2.64
8 H 65 CYS H 69 GLN 5.00
9 HA 65 CYS Hb3 65 CYS 4.00
10 HA 65 CYS Hb2 65 CYS 4.00
11 HA 65 CYS H 66 LYS 2.62
12 HA 65 CYS H 66 LYS -2.12
13 H 65 CYS H 68 GLY 3.97
14 H 65 CYS H 68 GLY -3.47
15 Hb3 65 CYS H 69 GLN 3.62
16 Hb3 65 CYS H 69 GLN -2.85
17 Hb2 65 CYS H 69 GLN 2.92
18 Hb2 65 CYS H 69 GLN -2.42
19 Hb3 65 CYS H 66 LYS 3.00
20 Hb2 65 CYS H 66 LYS 5.00
21 PB 65 CYS H 67 ASN 3.90
Aminoacid 66 LYS
1 H 66 LYS HA 65 CYS 2.62
2 H 66 LYS HA 65 CYS -2.12
3 H 66 LYS Hb3 65 CYS 3.00
4 H 66 LYS Hb2 65 CYS 5.00
5 HA 66 LYS PB 66 LYS 3.90
6 HA 66 LYS PG 66 LYS 3.90
7 H 66 LYS PB 66 LYS 3.90
8 H 66 LYS PG 66 LYS 3.90
9 PB 66 LYS H 67 ASN 4.90
10 PG 66 LYS H 67 ASN 5.90
11 H 66 LYS H 67 ASN 3.33
12 H 66 LYS H 67 ASN -2.83
Aminoacid 67 ASN
1 H 67 ASN PB 65 CYS 3.90
2 H 67 ASN PB 66 LYS 4.90
3 H 67 ASN PG 66 LYS 5.90
4 H 67 ASN H 66 LYS 3.33
5 H 67 ASN H 66 LYS -2.83
6 H 67 ASN Hb3 67 ASN 2.73
7 H 67 ASN Hb3 67 ASN -2.23
8 H 67 ASN Hb2 67 ASN 4.00
9 HA 67 ASN Hb3 67 ASN 3.00
10 HA 67 ASN Hb2 67 ASN 3.00
11 Hb3 67 ASN H 68 GLY 5.00
12 Hb2 67 ASN H 68 GLY 4.00
13 HD21 67 ASN Hb3 67 ASN 3.00
14 HD21 67 ASN Hb2 67 ASN 2.83
15 HD21 67 ASN Hb2 67 ASN -2.33
16 HD22 67 ASN Hb3 67 ASN 3.00
17 HD22 67 ASN Hb2 67 ASN 4.00
18 ND2 67 ASN PB 69 GLN 6.00
Aminoacid 68 GLY
1 H 68 GLY CB 64 ALA 4.86
2 H 68 GLY CB 64 ALA -3.86
3 PA 68 GLY CB 64 ALA 6.90
4 H 68 GLY H 65 CYS 3.97
5 H 68 GLY H 65 CYS -3.47
6 H 68 GLY Hb3 67 ASN 5.00
7 H 68 GLY Hb2 67 ASN 4.00
8 H 68 GLY H 69 GLN 4.00
Aminoacid 69 GLN
1 H 69 GLN H 65 CYS 5.00
2 H 69 GLN Hb3 65 CYS 3.62
3 H 69 GLN Hb3 65 CYS -2.85
4 H 69 GLN Hb2 65 CYS 2.92
5 H 69 GLN Hb2 65 CYS -2.42
6 PB 69 GLN ND2 67 ASN 6.00
7 H 69 GLN H 68 GLY 4.00
8 H 69 GLN PB 69 GLN 3.90
9 H 69 GLN PG 69 GLN 3.90
10 HA 69 GLN PB 69 GLN 3.90
11 PB 69 GLN H 70 THR 3.90
12 PG 69 GLN H 70 THR 3.90
13 HA 69 GLN H 70 THR 2.71
14 HA 69 GLN H 70 THR -2.21
15 HA 69 GLN CG 70 THR 5.00
16 H 69 GLN H 70 THR 5.00
17 PB 69 GLN H 71 ASN 4.90
18 NE2 69 GLN PG 69 GLN 6.00
Aminoacid 70 THR
1 CG 70 THR HA 64 ALA 6.62
2 CG 70 THR HA 64 ALA -5.64
3 HA 70 THR CB 64 ALA 6.00
4 HA 70 THR HA 64 ALA 3.00
5 HB 70 THR HA 64 ALA 5.00
6 H 70 THR PB 69 GLN 3.90
7 H 70 THR PG 69 GLN 3.90
8 H 70 THR HA 69 GLN 2.71
9 H 70 THR HA 69 GLN -2.21
10 CG 70 THR HA 69 GLN 5.00
11 H 70 THR H 69 GLN 5.00
12 H 70 THR CG 70 THR 4.02
13 H 70 THR CG 70 THR -3.34
14 CG 70 THR HA 70 THR 4.00
15 HA 70 THR HB 70 THR 3.00
16 HA 70 THR H 72 CYS 4.00
17 H 70 THR H 71 ASN 3.09
18 H 70 THR H 71 ASN -2.59
Aminoacid 71 ASN
1 HA 71 ASN ND2 62 ASN 5.10
2 H 71 ASN PB 69 GLN 4.90
3 H 71 ASN H 70 THR 3.09
4 H 71 ASN H 70 THR -2.59
5 H 71 ASN Hb3 71 ASN 2.99
6 H 71 ASN Hb3 71 ASN -2.49
7 H 71 ASN Hb2 71 ASN 5.00
8 HA 71 ASN Hb3 71 ASN 3.00
9 HA 71 ASN Hb2 71 ASN 3.00
10 HA 71 ASN H 72 CYS 3.12
11 HA 71 ASN H 72 CYS -2.62
12 H 71 ASN H 72 CYS 3.24
13 H 71 ASN H 72 CYS -2.74
14 Hb2 71 ASN H 110 CYS 5.00
15 HD21 71 ASN PB 71 ASN 3.90
16 HD22 71 ASN PB 71 ASN 3.90
17 ND2 71 ASN CB 109 ALA 6.00
18 Hb2 71 ASN HE2 73 TYR 5.00
19 HD21 71 ASN H 110 CYS 4.08
20 HD21 71 ASN H 110 CYS -3.58
21 HD22 71 ASN H 110 CYS 3.75
22 HD22 71 ASN H 110 CYS -3.25
23 HA 71 ASN CG 73 TYR 6.10
Aminoacid 72 CYS
1 H 72 CYS Hb2 62 ASN 5.00
2 H 72 CYS ND2 62 ASN 5.10
3 Hb3 72 CYS CG2 63 VAL 3.62
4 Hb3 72 CYS CG2 63 VAL -2.95
5 Hb2 72 CYS CG2 63 VAL 3.82
6 Hb2 72 CYS CG2 63 VAL -3.18
7 H 72 CYS CG1 63 VAL 6.00
8 HA 72 CYS CG2 63 VAL 5.13
9 HA 72 CYS CG2 63 VAL -4.38
10 H 72 CYS H 63 VAL 4.00
11 H 72 CYS HA 64 ALA 5.00
12 H 72 CYS HA 70 THR 4.00
13 H 72 CYS HA 71 ASN 3.12
14 H 72 CYS HA 71 ASN -2.62
15 H 72 CYS H 71 ASN 3.24
16 H 72 CYS H 71 ASN -2.74
17 H 72 CYS Hb3 72 CYS 3.34
18 H 72 CYS Hb3 72 CYS -2.29
19 H 72 CYS Hb2 72 CYS 3.00
20 HA 72 CYS Hb3 72 CYS 2.76
21 HA 72 CYS Hb3 72 CYS -2.26
22 HA 72 CYS Hb2 72 CYS 5.00
23 HA 72 CYS H 73 TYR 2.46
24 HA 72 CYS H 73 TYR -1.96
25 Hb3 72 CYS H 73 TYR 3.00
26 Hb2 72 CYS H 73 TYR 5.00
27 HA 72 CYS H 110 CYS 3.42
28 HA 72 CYS H 110 CYS -2.84
29 H 72 CYS CG2 107 ILE 6.00
30 H 72 CYS HA 109 ALA 5.00
31 HA 72 CYS CB 109 ALA 4.47
32 HA 72 CYS CB 109 ALA -3.58
33 HA 72 CYS HA 109 ALA 2.49
34 HA 72 CYS HA 109 ALA -1.99
35 Hb3 72 CYS CG2 107 ILE 2.63
36 Hb3 72 CYS CG2 107 ILE -1.98
37 Hb2 72 CYS CG2 107 ILE 5.00
38 HA 72 CYS HD2 73 TYR 4.00
Aminoacid 73 TYR
1 Hb3 73 TYR HA 58 CYS 3.81
2 Hb3 73 TYR HA 58 CYS -2.86
3 Hb2 73 TYR HA 58 CYS 2.79
4 Hb2 73 TYR HA 58 CYS -2.29
5 HD2 73 TYR HA 58 CYS 3.38
6 HD2 73 TYR HA 58 CYS -2.71
7 HE2 73 TYR HA 58 CYS 4.87
8 HE2 73 TYR HA 58 CYS -3.53
9 HD1 73 TYR H 60 GLN 5.00
10 CG 73 TYR H 60 GLN 7.20
11 HA 73 TYR HA 62 ASN 2.85
12 HA 73 TYR HA 62 ASN -2.35
13 HD1 73 TYR Hb3 62 ASN 3.81
14 HD1 73 TYR Hb3 62 ASN -3.31
15 HD1 73 TYR Hb2 62 ASN 3.00
16 HE1 73 TYR Hb3 62 ASN 5.00
17 HE1 73 TYR Hb2 62 ASN 4.00
18 HE1 73 TYR H 62 ASN 5.00
19 H 73 TYR CG2 63 VAL 5.26
20 H 73 TYR CG2 63 VAL -3.22
21 H 73 TYR CG1 63 VAL 5.18
22 H 73 TYR CG1 63 VAL -4.18
23 HA 73 TYR H 63 VAL 3.00
24 HA 73 TYR H 63 VAL -2.50
25 HA 73 TYR CG2 63 VAL 4.05
26 HA 73 TYR CG2 63 VAL -3.39
27 HA 73 TYR CG1 63 VAL 5.00
28 Hb3 73 TYR CG1 63 VAL 5.00
29 HD1 73 TYR CG1 63 VAL 6.00
30 HD1 73 TYR CG2 63 VAL 6.00
31 HE2 73 TYR Hb2 71 ASN 5.00
32 CG 73 TYR HA 71 ASN 6.10
33 H 73 TYR HA 72 CYS 2.46
34 H 73 TYR HA 72 CYS -1.96
35 H 73 TYR Hb3 72 CYS 3.00
36 H 73 TYR Hb2 72 CYS 5.00
37 HD2 73 TYR HA 72 CYS 4.00
38 H 73 TYR Hb3 73 TYR 4.00
39 Hb2 73 TYR H 73 TYR 3.29
40 Hb2 73 TYR H 73 TYR -2.76
41 HA 73 TYR Hb3 73 TYR 2.87
42 HA 73 TYR Hb3 73 TYR -2.37
43 HA 73 TYR Hb2 73 TYR 3.32
44 HA 73 TYR Hb2 73 TYR -2.82
45 Hb3 73 TYR H 74 GLN 3.24
46 Hb3 73 TYR H 74 GLN -2.74
47 H 73 TYR CG2 107 ILE 5.00
48 H 73 TYR CB 109 ALA 6.00
49 HA 73 TYR H 74 GLN 2.42
50 HA 73 TYR H 74 GLN -1.92
51 PB 73 TYR CG2 108 VAL 6.90
52 CG 73 TYR PB 73 TYR 6.00
53 HA 73 TYR HD1 73 TYR 3.53
54 HA 73 TYR HD1 73 TYR -2.08
55 HD2 73 TYR CG2 108 VAL 6.00
56 HD2 73 TYR HA 109 ALA 5.00
57 HD2 73 TYR H 110 CYS 3.98
58 HD2 73 TYR H 110 CYS -3.26
59 H 73 TYR HD2 73 TYR 3.06
60 H 73 TYR HD2 73 TYR -2.56
61 HD2 73 TYR Hb3 110 CYS 3.44
62 HD2 73 TYR Hb3 110 CYS -2.67
63 HE2 73 TYR Hb3 110 CYS 4.00
Aminoacid 74 GLN
1 HA 74 GLN CG1 57 VAL 5.00
2 H 74 GLN H 61 LYS 3.60
3 H 74 GLN H 61 LYS -3.10
4 H 74 GLN H 62 ASN 5.00
5 H 74 GLN HA 62 ASN 3.58
6 H 74 GLN HA 62 ASN -3.08
7 PB 74 GLN CG2 63 VAL 5.90
8 PB 74 GLN CG1 63 VAL 4.90
9 H 74 GLN CG2 63 VAL 4.07
10 H 74 GLN CG2 63 VAL -3.28
11 H 74 GLN CG1 63 VAL 4.47
12 H 74 GLN CG1 63 VAL -3.46
13 HA 74 GLN CG1 63 VAL 5.00
14 H 74 GLN H 63 VAL 5.00
15 H 74 GLN Hb3 73 TYR 3.24
16 H 74 GLN Hb3 73 TYR -2.74
17 H 74 GLN HA 73 TYR 2.42
18 H 74 GLN HA 73 TYR -1.92
19 H 74 GLN PB 74 GLN 3.90
20 H 74 GLN PG 74 GLN 5.90
21 HA 74 GLN PG 74 GLN 5.90
22 PG 74 GLN PB 74 GLN 5.80
23 HA 74 GLN PB 74 GLN 5.90
24 PG 74 GLN H 75 SER 4.90
25 PB 74 GLN H 75 SER 4.90
26 H 74 GLN H 75 SER 5.00
27 HA 74 GLN H 75 SER 2.60
28 HA 74 GLN H 75 SER -2.10
29 PG 74 GLN HG 75 SER 5.90
30 HA 74 GLN CD 107 ILE 5.00
31 HA 74 GLN H 108 VAL 4.00
32 HA 74 GLN PG1 107 ILE 4.90
33 PB 74 GLN PB 105 HIS 6.80
34 PG 74 GLN PB 105 HIS 6.80
35 PG 74 GLN H 106 ILE 5.90
36 NE2 74 GLN PG 74 GLN 6.00
37 PG 74 GLN HD2 105 HIS 5.90 (Second set)
38 NE2 74 GLN PB 74 GLN 7.00
39 HE21 74 GLN CB 124 VAL 6.20
40 HE22 74 GLN CB 124 VAL 6.20
Aminoacid 75 SER
1 PB 75 SER CG2 57 VAL 4.90
2 PB 75 SER CG1 57 VAL 5.90
3 HA 75 SER CG2 57 VAL 5.00
4 HA 75 SER CG1 57 VAL 6.00
5 H 75 SER PG 74 GLN 4.90
6 H 75 SER PB 74 GLN 4.90
7 H 75 SER H 74 GLN 5.00
8 H 75 SER HA 74 GLN 2.60
9 H 75 SER HA 74 GLN -2.10
10 HG 75 SER PG 74 GLN 5.90
11 H 75 SER PB 75 SER 5.90
12 HA 75 SER HG 75 SER 5.00
13 PB 75 SER HG 75 SER 5.90
14 HA 75 SER PB 75 SER 3.90
15 HG 75 SER HA 105 HIS 3.97
16 HG 75 SER HA 105 HIS -3.47
17 HG 75 SER HD2 105 HIS 5.00 (Second set)
18 HG 75 SER PG 79 MET 5.90
19 HG 75 SER PB 105 HIS 5.90
20 HG 75 SER PB 79 MET 5.90
21 HG 75 SER PG1 106 ILE 5.90
22 H 75 SER PB 105 HIS 5.90
23 H 75 SER PG1 106 ILE 5.90
24 H 75 SER H 106 ILE 3.44
25 H 75 SER H 106 ILE -2.94
26 HG 75 SER H 106 ILE 3.20
27 HG 75 SER H 106 ILE -2.70
28 PB 75 SER H 106 ILE 5.90
29 PB 75 SER PG1 106 ILE 6.80
Aminoacid 76 TYR
1 HD2 76 TYR Hb2 60 GLN 5.00
2 HE2 76 TYR PG 60 GLN 5.00
3 HE2 76 TYR HA 60 GLN 3.06
4 HE2 76 TYR HA 60 GLN -2.56
5 HD2 76 TYR HA 60 GLN 5.00
6 HD1 76 TYR PB 61 LYS 4.90
7 HE1 76 TYR PB 61 LYS 4.90
8 HD1 76 TYR PG 61 LYS 5.90
9 H 76 TYR Hb3 76 TYR 3.70
10 H 76 TYR Hb3 76 TYR -3.20
11 H 76 TYR Hb2 76 TYR 3.19
12 H 76 TYR Hb2 76 TYR -2.69
13 Hb3 76 TYR H 77 SER 3.96
14 Hb3 76 TYR H 77 SER -3.23
15 Hb2 76 TYR H 77 SER 3.28
16 Hb2 76 TYR H 77 SER -2.78
17 H 76 TYR H 77 SER 4.00
18 CG 76 TYR PB 76 TYR 6.00
19 HD1 76 TYR HA 76 TYR 3.00
20 CG 76 TYR H 76 TYR 7.10
21 CG 76 TYR H 77 SER 7.10
22 CZ 76 TYR H 76 TYR 7.10
Aminoacid 77 SER
1 H 77 SER Hb3 76 TYR 3.96
2 H 77 SER Hb3 76 TYR -3.23
3 H 77 SER Hb2 76 TYR 3.28
4 H 77 SER Hb2 76 TYR -2.78
5 H 77 SER H 76 TYR 4.00
6 H 77 SER CG 76 TYR 7.10
7 H 77 SER PB 77 SER 3.90
8 HA 77 SER PB 77 SER 3.90
9 HA 77 SER H 78 THR 2.76
10 HA 77 SER H 78 THR -2.26
11 PB 77 SER H 78 THR 4.90
12 H 77 SER H 78 THR 5.00
13 H 77 SER HE1 105 HIS 5.00
14 HA 77 SER HD2 105 HIS 3.00 (Second set)
15 HA 77 SER HE1 105 HIS 4.00
16 PB 77 SER HE1 105 HIS 5.90
Aminoacid 78 THR
1 H 78 THR HA 77 SER 2.76
2 H 78 THR HA 77 SER -2.26
3 H 78 THR PB 77 SER 4.90
4 H 78 THR H 77 SER 5.00
5 H 78 THR HB 78 THR 5.00
6 CG 78 THR H 79 MET 6.00
7 HB 78 THR H 79 MET 3.01
8 HB 78 THR H 79 MET -2.51
9 HA 78 THR H 79 MET 2.45
10 HA 78 THR H 79 MET -1.95
11 HB 78 THR H 104 LYS 3.25
12 HB 78 THR H 104 LYS -2.75
13 HA 78 THR H 104 LYS 4.21
14 HA 78 THR H 104 LYS -3.71
15 CG 78 THR H 104 LYS 4.91
16 CG 78 THR H 104 LYS -4.11
17 CG 78 THR HA 103 ASN 5.97
18 CG 78 THR HA 103 ASN -4.28
19 HA 78 THR HA 105 HIS 3.00
20 HA 78 THR H 106 ILE 5.00
21 CG 78 THR PB 103 ASN 6.90
22 CG 78 THR HA 104 LYS 4.85
23 CG 78 THR HA 104 LYS -4.16
24 HB 78 THR HA 104 LYS 3.00
25 HB 78 THR HA 103 ASN 5.00
26 HB 78 THR PB 103 ASN 4.90
27 CG 78 THR H 105 HIS 4.61
28 CG 78 THR H 105 HIS -3.97
29 H 78 THR CG 78 THR 3.68
30 H 78 THR CG 78 THR -3.04
31 CG 78 THR HA 78 THR 3.49
32 CG 78 THR HA 78 THR -2.88
33 CG 78 THR HD2 105 HIS 4.27
34 CG 78 THR HD2 105 HIS -3.56
35 HA 78 THR HD2 105 HIS 4.03
36 HA 78 THR HD2 105 HIS -3.53
Aminoacid 79 MET
1 Hb3 79 MET PG 49 GLU 5.90
2 CE 79 MET HA 54 VAL 3.71
3 CE 79 MET HA 54 VAL -3.01
4 CE 79 MET CG2 57 VAL 5.00
5 CE 79 MET HA 57 VAL 6.00
6 PG 79 MET HG 75 SER 5.90
7 PB 79 MET HG 75 SER 5.90
8 H 79 MET CG 78 THR 6.00
9 H 79 MET HB 78 THR 3.01
10 H 79 MET HB 78 THR -2.51
11 H 79 MET HA 78 THR 2.45
12 H 79 MET HA 78 THR -1.95
13 H 79 MET Hb3 79 MET 4.00
14 H 79 MET Hb2 79 MET 4.00
15 H 79 MET PG 79 MET 5.90
16 PG 79 MET CE 79 MET 5.90
17 HA 79 MET Hb3 79 MET 4.00
18 HA 79 MET Hb2 79 MET 5.00
19 HA 79 MET PG 79 MET 3.90
20 H 79 MET HA 103 ASN 3.81
21 H 79 MET HA 103 ASN -3.23
22 H 79 MET H 104 LYS 4.00
23 H 79 MET HA 105 HIS 5.00
Aminoacid 80 SER
1 PB 80 SER Hb3 48 HIS 5.90
2 PB 80 SER Hb2 48 HIS 3.90
3 PB 80 SER H 48 HIS 5.90
4 PB 80 SER HD2 48 HIS 4.90
5 HA 80 SER PB 80 SER 3.90
6 HA 80 SER H 81 ILE 3.15
7 HA 80 SER H 81 ILE -2.65
8 PB 80 SER H 81 ILE 5.90
9 HA 80 SER HA 103 ASN 3.18
10 HA 80 SER HA 103 ASN -2.68
11 HA 80 SER H 102 ALA 5.00
Aminoacid 81 ILE
1 HA 81 ILE CG 45 THR 4.64
2 HA 81 ILE CG 45 THR -3.53
3 HB 81 ILE CG 45 THR 3.35
4 HB 81 ILE CG 45 THR -2.65
5 CG2 81 ILE HA 47 VAL 4.04
6 CG2 81 ILE HA 47 VAL -3.26
7 HA 81 ILE HA 47 VAL 2.72
8 HA 81 ILE HA 47 VAL -2.22
9 HA 81 ILE CG1 47 VAL 5.59
10 HA 81 ILE CG1 47 VAL -4.77
11 H 81 ILE HA 47 VAL 5.00
12 CG2 81 ILE H 48 HIS 4.82
13 CG2 81 ILE H 48 HIS -3.90
14 HA 81 ILE H 48 HIS 3.68
15 HA 81 ILE H 48 HIS -3.18
16 HA 81 ILE HD2 48 HIS 2.98
17 HA 81 ILE HD2 48 HIS -2.48
18 H 81 ILE HA 80 SER 3.15
19 H 81 ILE HA 80 SER -2.65
20 H 81 ILE PB 80 SER 5.90
21 H 81 ILE PG1 81 ILE 4.90
22 H 81 ILE HB 81 ILE 3.14
23 H 81 ILE HB 81 ILE -2.64
24 H 81 ILE CG2 81 ILE 4.65
25 H 81 ILE CG2 81 ILE -3.67
26 HA 81 ILE PG1 81 ILE 5.90
27 HA 81 ILE CG2 81 ILE 3.40
28 HA 81 ILE CG2 81 ILE -2.78
29 HA 81 ILE HB 81 ILE 2.59
30 HA 81 ILE HB 81 ILE -2.09
31 CD 81 ILE HB 81 ILE 3.65
32 CD 81 ILE HB 81 ILE -3.01
33 HB 81 ILE H 82 THR 2.68
34 HB 81 ILE H 82 THR -2.18
35 CG2 81 ILE H 82 THR 5.00
36 HA 81 ILE H 82 THR 2.50
37 HA 81 ILE H 82 THR -2.00
38 H 81 ILE HA 103 ASN 3.24
39 H 81 ILE HA 103 ASN -2.74
40 CD 81 ILE HA 103 ASN 6.00
41 PG1 81 ILE H 102 ALA 5.90
42 CG2 81 ILE HA 103 ASN 6.00
43 CG2 81 ILE H 102 ALA 6.00
44 CG2 81 ILE H 104 LYS 6.00
45 H 81 ILE H 102 ALA 5.00
46 H 81 ILE NE2 101 GLN 6.10
47 CD 81 ILE CZ 120 PHE 8.10
Aminoacid 82 THR
1 CG 82 THR HA 20 ALA 6.00
2 HA 82 THR CB 20 ALA 6.00
3 CG 82 THR HD2 25 TYR 3.38
4 CG 82 THR HD2 25 TYR -2.74
5 CG 82 THR HE2 25 TYR 3.82
6 CG 82 THR HE2 25 TYR -2.99
7 HB 82 THR HE2 25 TYR 2.86
8 HB 82 THR HE2 25 TYR -2.36
9 H 82 THR CG 45 THR 4.42
10 H 82 THR CG 45 THR -3.77
11 H 82 THR H 46 PHE 3.71
12 H 82 THR H 46 PHE -3.21
13 H 82 THR Hb3 46 PHE 5.00
14 HB 82 THR Hb3 46 PHE 4.29
15 HB 82 THR Hb3 46 PHE -3.76
16 HB 82 THR Hb2 46 PHE 3.03
17 HB 82 THR Hb2 46 PHE -2.53
18 HB 82 THR H 46 PHE 3.98
19 HB 82 THR H 46 PHE -3.48
20 HB 82 THR HD2 46 PHE 3.36
21 HB 82 THR HD2 46 PHE -2.25
22 CG 82 THR PB 46 PHE 6.90
23 H 82 THR CG2 47 VAL 6.00
24 H 82 THR HA 47 VAL 4.84
25 CG 82 THR HD2 48 HIS 4.70
26 CG 82 THR HD2 48 HIS -3.99
27 H 82 THR HD2 48 HIS 3.69
28 H 82 THR HD2 48 HIS -3.19
29 HB 82 THR HD2 48 HIS 5.00
30 HB 82 THR HE1 48 HIS 5.00
31 H 82 THR HB 81 ILE 2.68
32 H 82 THR HB 81 ILE -2.18
33 H 82 THR CG2 81 ILE 5.00
34 H 82 THR HA 81 ILE 2.50
35 H 82 THR HA 81 ILE -2.00
36 H 82 THR CG 82 THR 4.57
37 H 82 THR CG 82 THR -3.69
38 H 82 THR HB 82 THR 3.03
39 H 82 THR HB 82 THR -2.53
40 HA 82 THR CG 82 THR 3.47
41 HA 82 THR CG 82 THR -2.85
42 HB 82 THR HA 82 THR 2.92
43 HB 82 THR HA 82 THR -2.42
44 CG 82 THR H 100 THR 4.00
45 CG 82 THR H 83 ASP 3.96
46 CG 82 THR H 83 ASP -3.27
47 HA 82 THR H 102 ALA 5.00
48 HA 82 THR H 83 ASP 3.00
49 CG 82 THR HA 101 GLN 4.19
50 CG 82 THR HA 101 GLN -3.34
51 HA 82 THR HA 101 GLN 2.95
52 HA 82 THR HA 101 GLN -2.45
53 HA 82 THR PB 101 GLN 5.90
Aminoacid 83 ASP
1 PB 83 ASP HA 45 THR 4.90
2 H 83 ASP CG 82 THR 3.96
3 H 83 ASP CG 82 THR -3.27
4 H 83 ASP HA 82 THR 3.00
5 H 83 ASP PB 83 ASP 3.90
6 HA 83 ASP PB 83 ASP 3.90
7 HA 83 ASP H 84 CYS 2.47
8 HA 83 ASP H 84 CYS -1.97
9 PB 83 ASP H 84 CYS 4.90
10 H 83 ASP H 100 THR 3.61
11 H 83 ASP H 100 THR -3.11
12 PB 83 ASP HA 99 THR 5.90
13 PB 83 ASP CG 100 THR 6.90
14 PB 83 ASP HB 100 THR 3.90
15 H 83 ASP HB 100 THR 5.00
16 PB 83 ASP H 100 THR 5.90
Aminoacid 84 CYS
1 H 84 CYS CB 43 VAL 7.20
2 Hb3 84 CYS H 44 ASN 4.02
3 Hb3 84 CYS H 44 ASN -3.52
4 Hb2 84 CYS H 44 ASN 3.80
5 Hb2 84 CYS H 44 ASN -3.30
6 H 84 CYS H 44 ASN 5.00
7 H 84 CYS HA 83 ASP 2.47
8 H 84 CYS HA 83 ASP -1.97
9 H 84 CYS PB 83 ASP 4.90
10 HA 84 CYS Hb3 84 CYS 2.73
11 HA 84 CYS Hb3 84 CYS -2.23
12 HA 84 CYS Hb2 84 CYS 3.40
13 HA 84 CYS Hb2 84 CYS -2.90
14 H 84 CYS Hb3 84 CYS 3.00
15 H 84 CYS Hb2 84 CYS 3.46
16 H 84 CYS Hb2 84 CYS -2.93
17 HA 84 CYS H 85 ARG 3.46
18 HA 84 CYS H 85 ARG -2.96
19 Hb3 84 CYS H 85 ARG 4.00
20 Hb2 84 CYS H 85 ARG 5.00
21 HA 84 CYS H 98 LYS 4.75
22 HA 84 CYS H 98 LYS -4.25
23 HA 84 CYS HA 99 THR 3.19
24 HA 84 CYS HA 99 THR -2.69
25 HA 84 CYS H 100 THR 3.99
26 HA 84 CYS H 100 THR -3.49
Aminoacid 85 ARG
1 HA 85 ARG CB 43 VAL 6.20
2 HA 85 ARG HB 43 VAL 5.00
3 PB 85 ARG HA 43 VAL 5.90
4 PD 85 ARG CB 43 VAL 8.10
5 PG 85 ARG CB 43 VAL 7.10
6 HA 85 ARG HA 43 VAL 3.00
7 HA 85 ARG H 44 ASN 5.00
8 PB 85 ARG H 44 ASN 5.90
9 H 85 ARG HA 84 CYS 3.46
10 H 85 ARG HA 84 CYS -2.96
11 H 85 ARG Hb3 84 CYS 4.00
12 H 85 ARG Hb2 84 CYS 5.00
13 HA 85 ARG PB 85 ARG 3.90
14 PD 85 ARG PG 85 ARG 4.80
15 H 85 ARG PG 85 ARG 5.90
16 H 85 ARG PB 85 ARG 3.90
17 HA 85 ARG H 86 GLU 2.32
18 HA 85 ARG H 86 GLU -1.82
19 H 85 ARG H 98 LYS 3.03
20 H 85 ARG H 98 LYS -2.53
21 H 85 ARG HA 99 THR 3.83
22 H 85 ARG HA 99 THR -3.33
23 H 85 ARG HA 97 TYR 5.00
24 H 85 ARG Hb3 97 TYR 3.67
25 H 85 ARG Hb3 97 TYR -3.17
Aminoacid 86 GLU
1 H 86 GLU HA 43 VAL 3.86
2 H 86 GLU HA 43 VAL -3.36
3 PB 86 GLU HA 42 PRO 3.90
4 H 86 GLU CB 43 VAL 7.20
5 H 86 GLU HA 85 ARG 2.32
6 H 86 GLU HA 85 ARG -1.82
7 H 86 GLU PB 86 GLU 4.90
8 HA 86 GLU HD1 97 TYR 5.00
9 PG 86 GLU HA 86 GLU 3.90
10 HA 86 GLU H 87 THR 2.50
11 HA 86 GLU H 87 THR -2.00
12 PB 86 GLU H 87 THR 5.90
13 PG 86 GLU H 87 THR 4.90
14 HA 86 GLU H 98 LYS 3.35
15 HA 86 GLU H 98 LYS -2.85
16 HA 86 GLU HA 97 TYR 2.86
17 HA 86 GLU HA 97 TYR -2.36
18 HA 86 GLU CG 97 TYR 7.10
Aminoacid 87 THR
1 H 87 THR HA 86 GLU 2.50
2 H 87 THR HA 86 GLU -2.00
3 H 87 THR PB 86 GLU 5.90
4 H 87 THR PG 86 GLU 4.90
5 H 87 THR CG 87 THR 3.66
6 H 87 THR CG 87 THR -3.01
7 HA 87 THR CG 87 THR 4.00
8 H 87 THR H 88 GLY -5.00
9 CG 87 THR H 88 GLY 5.00
10 HA 87 THR H 88 GLY 3.00
11 CG 87 THR H 98 LYS 4.23
12 CG 87 THR H 98 LYS -3.49
13 HA 87 THR H 98 LYS 5.00
14 H 87 THR HA 97 TYR 5.00
15 H 87 THR CB 96 ALA 6.09
16 H 87 THR CB 96 ALA -4.73
17 CG 87 THR HA 97 TYR 5.00
18 CG 87 THR HA 96 ALA 6.00
19 H 87 THR PB 90 SER 5.90
20 H 87 THR H 90 SER 5.00
Aminoacid 88 GLY
1 H 88 GLY H 87 THR -5.00
2 H 88 GLY CG 87 THR 5.00
3 H 88 GLY HA 87 THR 3.00
4 H 88 GLY H 89 SER 2.71
5 H 88 GLY H 89 SER -2.21
6 PA 88 GLY H 89 SER 4.90
Aminoacid 89 SER
1 H 89 SER H 88 GLY 2.71
2 H 89 SER H 88 GLY -2.21
3 H 89 SER PA 88 GLY 4.90
4 H 89 SER PB 89 SER 4.90
5 PB 89 SER H 90 SER 6.90
6 HA 89 SER PB 89 SER 3.90
7 PB 89 SER CB 96 ALA 6.90
8 H 89 SER H 90 SER 5.00
9 H 89 SER CB 96 ALA 6.00
Aminoacid 90 SER
1 PB 90 SER H 87 THR 5.90
2 H 90 SER H 87 THR 5.00
3 H 90 SER PB 89 SER 6.90
4 H 90 SER H 89 SER 5.00
5 H 90 SER PB 90 SER 3.90
6 HA 90 SER H 91 LYS 3.00
7 HA 90 SER CB 96 ALA 3.77
8 HA 90 SER CB 96 ALA -3.16
9 H 90 SER CB 96 ALA 6.00
10 HA 90 SER HA 95 CYS 5.00
Aminoacid 91 LYS
1 H 91 LYS HA 90 SER 3.00
2 HA 91 LYS PB 91 LYS 3.90
3 H 91 LYS PB 91 LYS 3.90
4 HA 91 LYS H 92 TYR 2.66
5 HA 91 LYS H 92 TYR -2.16
6 PB 91 LYS H 92 TYR 4.90
7 H 91 LYS PG 91 LYS 5.90
8 H 91 LYS H 92 TYR 5.00
9 H 91 LYS CB 96 ALA 6.00
10 PD 91 LYS ND2 94 ASN 7.00
Aminoacid 92 TYR
1 HD1 92 TYR HA 37 LYS 5.00
2 HD1 92 TYR HA 38 ASP 5.00
3 HD1 92 TYR H 38 ASP 5.00
4 HD1 92 TYR HA 39 ARG 4.00
5 Hb2 92 TYR H 40 CYS 4.53
6 Hb2 92 TYR H 40 CYS -3.24
7 HD1 92 TYR HA 40 CYS 5.00
8 HD1 92 TYR H 40 CYS 5.00
9 H 92 TYR HA 91 LYS 2.66
10 H 92 TYR HA 91 LYS -2.16
11 H 92 TYR PB 91 LYS 4.90
12 H 92 TYR H 91 LYS 5.00
13 HA 92 TYR Hb3 92 TYR 4.00
14 Hb2 92 TYR HA 92 TYR 2.73
15 Hb2 92 TYR HA 92 TYR -2.23
16 H 92 TYR Hb3 92 TYR 2.68
17 H 92 TYR Hb3 92 TYR -2.18
18 H 92 TYR Hb2 92 TYR 2.69
19 H 92 TYR Hb2 92 TYR -2.19
20 HA 92 TYR HA 93 PRO 2.31
21 HA 92 TYR HA 93 PRO -1.81
22 HA 92 TYR PB 93 PRO 5.90
23 HA 92 TYR H 94 ASN 2.79
24 HA 92 TYR H 94 ASN -2.29
25 HD1 92 TYR HA 92 TYR 2.94
26 HD1 92 TYR HA 92 TYR -2.44
27 HD1 92 TYR HA 93 PRO 4.00
28 CG 92 TYR PB 92 TYR 7.50
29 HD1 92 TYR PB 93 PRO 5.00
30 CG 92 TYR H 92 TYR 7.60
Aminoacid 93 PRO
1 HA 93 PRO HA 92 TYR 2.31
2 HA 93 PRO HA 92 TYR -1.81
3 PB 93 PRO HA 92 TYR 5.90
4 HA 93 PRO HD1 92 TYR 4.00
5 PB 93 PRO HD1 92 TYR 5.00
6 HA 93 PRO PB 93 PRO 3.90
7 PD 93 PRO PB 93 PRO 6.80
8 PD 93 PRO H 94 ASN 3.90
9 PG 93 PRO PD 93 PRO 4.80
10 HA 93 PRO H 94 ASN 5.00
Aminoacid 94 ASN
1 ND2 94 ASN PD 91 LYS 7.00
2 H 94 ASN HA 92 TYR 2.79
3 H 94 ASN HA 92 TYR -2.29
4 H 94 ASN PD 93 PRO 3.90
5 H 94 ASN PB 94 ASN 3.90
6 HA 94 ASN PB 94 ASN 3.90
7 H 94 ASN HA 93 PRO 5.00
8 PB 94 ASN H 95 CYS 5.90
9 HA 94 ASN H 95 CYS 2.72
10 HA 94 ASN H 95 CYS -2.22
11 ND2 94 ASN PB 94 ASN 6.00
Aminoacid 95 CYS
1 Hb3 95 CYS CG 36 THR 5.00
2 Hb2 95 CYS CG 36 THR 3.81
3 Hb2 95 CYS CG 36 THR -3.01
4 Hb2 95 CYS HB 36 THR 5.00
5 HA 95 CYS HA 90 SER 5.00
6 H 95 CYS PB 94 ASN 5.90
7 H 95 CYS HA 94 ASN 2.72
8 H 95 CYS HA 94 ASN -2.22
9 H 95 CYS Hb3 95 CYS 3.00
10 H 95 CYS Hb2 95 CYS 3.00
11 HA 95 CYS Hb3 95 CYS 3.00
12 HA 95 CYS Hb2 95 CYS 4.00
13 Hb3 95 CYS H 96 ALA 5.00
14 HA 95 CYS H 96 ALA 3.00
15 Hb3 95 CYS HE2 97 TYR 3.00
16 Hb3 95 CYS HE2 97 TYR 4.00
Aminoacid 96 ALA
1 CB 96 ALA H 87 THR 6.09
2 CB 96 ALA H 87 THR -4.73
3 HA 96 ALA CG 87 THR 6.00
4 CB 96 ALA PB 89 SER 6.90
5 CB 96 ALA H 89 SER 6.00
6 CB 96 ALA HA 90 SER 3.77
7 CB 96 ALA HA 90 SER -3.16
8 CB 96 ALA H 90 SER 6.00
9 CB 96 ALA H 91 LYS 6.00
10 H 96 ALA Hb3 95 CYS 5.00
11 H 96 ALA HA 95 CYS 3.00
12 H 96 ALA CB 96 ALA 4.11
13 H 96 ALA CB 96 ALA -3.17
14 CB 96 ALA H 97 TYR 4.51
15 CB 96 ALA H 97 TYR -3.36
16 HA 96 ALA H 97 TYR 3.00
17 HA 96 ALA CZ 97 TYR 7.10
Aminoacid 97 TYR
1 Hb3 97 TYR Hb2 26 CYS 2.91
2 Hb3 97 TYR Hb2 26 CYS -2.41
3 Hb2 97 TYR Hb2 26 CYS 3.42
4 Hb2 97 TYR Hb2 26 CYS -2.92
5 CZ 97 TYR HA 27 ASN 7.10
6 HH 97 TYR CG 36 THR 4.70
7 HH 97 TYR CG 36 THR -3.92
8 HE2 97 TYR CG 36 THR 4.82
9 HE2 97 TYR CG 36 THR -4.03
10 HD2 97 TYR CG 36 THR 6.00
11 HH 97 TYR Hb3 40 CYS 3.20
12 HH 97 TYR Hb3 40 CYS -2.70
13 HH 97 TYR Hb3 41 LYS 4.00
14 HH 97 TYR H 41 LYS 3.15
15 HH 97 TYR H 41 LYS -2.65
16 HA 97 TYR H 85 ARG 5.00
17 Hb3 97 TYR H 85 ARG 3.67
18 Hb3 97 TYR H 85 ARG -3.17
19 HD1 97 TYR HA 86 GLU 5.00
20 HA 97 TYR HA 86 GLU 2.86
21 HA 97 TYR HA 86 GLU -2.36
22 CG 97 TYR HA 86 GLU 7.10
23 HA 97 TYR H 87 THR 5.00
24 HA 97 TYR CG 87 THR 5.00
25 HE2 97 TYR Hb3 95 CYS 3.00
26 HE2 97 TYR Hb3 95 CYS 4.00
27 H 97 TYR CB 96 ALA 4.51
28 H 97 TYR CB 96 ALA -3.36
29 H 97 TYR HA 96 ALA 3.00
30 CZ 97 TYR HA 96 ALA 7.10
31 HA 97 TYR Hb3 97 TYR 3.00
32 HA 97 TYR Hb2 97 TYR 4.00
33 H 97 TYR Hb3 97 TYR 4.23
34 H 97 TYR Hb3 97 TYR -3.55
35 H 97 TYR Hb2 97 TYR 3.09
36 H 97 TYR Hb2 97 TYR -2.59
37 Hb3 97 TYR H 98 LYS 3.36
38 Hb3 97 TYR H 98 LYS -2.86
39 Hb2 97 TYR H 98 LYS 4.00
40 HA 97 TYR H 98 LYS 3.00
41 CG 97 TYR H 97 TYR 6.10
42 CZ 97 TYR PB 97 TYR 8.00
43 CG 97 TYR PB 97 TYR 8.00
Aminoacid 98 LYS
1 H 98 LYS HA 84 CYS 4.75
2 H 98 LYS HA 84 CYS -4.25
3 H 98 LYS H 85 ARG 3.03
4 H 98 LYS H 85 ARG -2.53
5 H 98 LYS HA 86 GLU 3.35
6 H 98 LYS HA 86 GLU -2.85
7 H 98 LYS CG 87 THR 4.23
8 H 98 LYS CG 87 THR -3.49
9 H 98 LYS HA 87 THR 5.00
10 H 98 LYS Hb3 97 TYR 3.36
11 H 98 LYS Hb3 97 TYR -2.86
12 H 98 LYS Hb2 97 TYR 4.00
13 H 98 LYS HA 97 TYR 3.00
14 H 98 LYS PB 98 LYS 3.90
15 H 98 LYS PG 98 LYS 5.90
16 HA 98 LYS PB 98 LYS 3.90
17 HA 98 LYS PG 98 LYS 4.90
18 HA 98 LYS HB 99 THR 5.00
19 HA 98 LYS H 99 THR 3.00
Aminoacid 99 THR
1 CG 99 THR CB 20 ALA 5.00
2 HB 99 THR HA 23 SER 3.00
3 CG 99 THR HA 23 SER 4.96
4 CG 99 THR HA 23 SER -3.99
5 CG 99 THR H 25 TYR 4.95
6 CG 99 THR H 25 TYR -2.87
7 CG 99 THR Hb3 25 TYR 4.00
8 CG 99 THR Hb2 25 TYR 5.00
9 CG 99 THR HD2 25 TYR 4.00
10 CG 99 THR HE2 25 TYR 6.00
11 HA 99 THR Hb2 26 CYS 3.89
12 HA 99 THR Hb2 26 CYS -3.39
13 CG 99 THR H 26 CYS 4.00
14 HA 99 THR PB 83 ASP 5.90
15 HA 99 THR HA 84 CYS 3.19
16 HA 99 THR HA 84 CYS -2.69
17 HA 99 THR H 85 ARG 3.83
18 HA 99 THR H 85 ARG -3.33
19 HB 99 THR HA 98 LYS 5.00
20 H 99 THR HA 98 LYS 3.00
21 H 99 THR HB 99 THR 3.10
22 H 99 THR HB 99 THR -2.60
23 H 99 THR CG 99 THR 5.00
24 HA 99 THR CG 99 THR 3.43
25 HA 99 THR CG 99 THR -2.61
26 HA 99 THR HB 99 THR 3.55
27 HA 99 THR HB 99 THR -3.05
28 CG 99 THR H 100 THR 3.60
29 CG 99 THR H 100 THR -2.98
30 HA 99 THR HB 100 THR 5.00
31 HA 99 THR H 100 THR 2.48
32 HA 99 THR H 100 THR -1.98
Aminoacid 100 THR
1 H 100 THR CG 82 THR 4.00
2 H 100 THR H 83 ASP 3.61
3 H 100 THR H 83 ASP -3.11
4 CG 100 THR PB 83 ASP 6.90
5 HB 100 THR PB 83 ASP 3.90
6 HB 100 THR H 83 ASP 5.00
7 H 100 THR PB 83 ASP 5.90
8 H 100 THR HA 84 CYS 3.99
9 H 100 THR HA 84 CYS -3.49
10 H 100 THR CG 99 THR 3.60
11 H 100 THR CG 99 THR -2.98
12 HB 100 THR HA 99 THR 5.00
13 H 100 THR HA 99 THR 2.48
14 H 100 THR HA 99 THR -1.98
15 H 100 THR CG 100 THR 5.00
16 H 100 THR HB 100 THR 4.00
17 HA 100 THR CG 100 THR 4.00
18 HA 100 THR H 101 GLN 4.00
19 CG 100 THR HA 101 GLN 4.99
20 CG 100 THR HA 101 GLN -4.30
21 CG 100 THR H 101 GLN 4.36
22 CG 100 THR H 101 GLN -3.64
23 CG 100 THR NE2 101 GLN 7.00
Aminoacid 101 GLN
1 NE2 101 GLN CB 19 ALA 7.10
2 PG 101 GLN CB 19 ALA 5.90
3 NE2 101 GLN HA 19 ALA 5.10
4 HA 101 GLN CB 20 ALA 7.00
5 PB 101 GLN CB 20 ALA 5.90
6 NE2 101 GLN H 81 ILE 6.10
7 HA 101 GLN CG 82 THR 4.19
8 HA 101 GLN CG 82 THR -3.34
9 HA 101 GLN HA 82 THR 2.95
10 HA 101 GLN HA 82 THR -2.45
11 PB 101 GLN HA 82 THR 5.90
12 H 101 GLN HA 100 THR 4.00
13 HA 101 GLN CG 100 THR 4.99
14 HA 101 GLN CG 100 THR -4.30
15 H 101 GLN CG 100 THR 4.36
16 H 101 GLN CG 100 THR -3.64
17 NE2 101 GLN CG 100 THR 7.00
18 H 101 GLN PB 101 GLN 3.90
19 H 101 GLN PG 101 GLN 5.90
20 HA 101 GLN PB 101 GLN 3.90
21 HA 101 GLN PG 101 GLN 5.90
22 HA 101 GLN H 102 ALA 2.62
23 HA 101 GLN H 102 ALA -2.12
24 PB 101 GLN H 102 ALA 4.90
25 PG 101 GLN H 102 ALA 5.90
26 PB 101 GLN HA 102 ALA 5.90
27 PG 101 GLN HE21 101 GLN 4.90
28 PG 101 GLN HE22 101 GLN 4.90
Aminoacid 102 ALA
1 H 102 ALA HA 80 SER 5.00
2 H 102 ALA PG1 81 ILE 5.90
3 H 102 ALA CG2 81 ILE 6.00
4 H 102 ALA H 81 ILE 5.00
5 H 102 ALA HA 82 THR 5.00
6 H 102 ALA HA 101 GLN 2.62
7 H 102 ALA HA 101 GLN -2.12
8 H 102 ALA PB 101 GLN 4.90
9 H 102 ALA PG 101 GLN 5.90
10 HA 102 ALA PB 101 GLN 5.90
11 H 102 ALA CB 102 ALA 4.00
12 CB 102 ALA HA 103 ASN 6.39
13 CB 102 ALA H 103 ASN 3.73
14 CB 102 ALA H 103 ASN -2.95
15 CB 102 ALA PE 104 LYS 6.90
Aminoacid 103 ASN
1 HA 103 ASN CG 78 THR 5.97
2 HA 103 ASN CG 78 THR -4.28
3 PB 103 ASN CG 78 THR 6.90
4 HA 103 ASN HB 78 THR 5.00
5 PB 103 ASN HB 78 THR 4.90
6 HA 103 ASN H 79 MET 3.81
7 HA 103 ASN H 79 MET -3.23
8 HA 103 ASN HA 80 SER 3.18
9 HA 103 ASN HA 80 SER -2.68
10 HA 103 ASN H 81 ILE 3.24
11 HA 103 ASN H 81 ILE -2.74
12 HA 103 ASN CD 81 ILE 6.00
13 HA 103 ASN CG2 81 ILE 6.00
14 HA 103 ASN CB 102 ALA 6.39
15 H 103 ASN CB 102 ALA 3.73
16 H 103 ASN CB 102 ALA -2.95
17 H 103 ASN PB 103 ASN 4.90
18 HA 103 ASN PB 103 ASN 3.90
19 PB 103 ASN H 104 LYS 5.90
20 HA 103 ASN H 104 LYS 2.34
21 HA 103 ASN H 104 LYS -1.84
22 HA 103 ASN PB 104 LYS 5.90
23 PB 103 ASN ND2 103 ASN 7.00
Aminoacid 104 LYS
1 H 104 LYS HB 78 THR 3.25
2 H 104 LYS HB 78 THR -2.75
3 H 104 LYS HA 78 THR 4.21
4 H 104 LYS HA 78 THR -3.71
5 H 104 LYS CG 78 THR 4.91
6 H 104 LYS CG 78 THR -4.11
7 HA 104 LYS CG 78 THR 4.85
8 HA 104 LYS CG 78 THR -4.16
9 HA 104 LYS HB 78 THR 3.00
10 H 104 LYS H 79 MET 4.00
11 H 104 LYS CG2 81 ILE 6.00
12 PE 104 LYS CB 102 ALA 6.90
13 H 104 LYS PB 103 ASN 5.90
14 H 104 LYS HA 103 ASN 2.34
15 H 104 LYS HA 103 ASN -1.84
16 PB 104 LYS HA 103 ASN 5.90
17 H 104 LYS Hb3 104 LYS 5.35
18 H 104 LYS Hb3 104 LYS -2.46
19 Hb2 104 LYS H 104 LYS 3.00
20 Hb3 104 LYS HA 104 LYS 4.00
21 Hb2 104 LYS HA 104 LYS 4.00
22 PE 104 LYS PG 104 LYS 5.80
23 PE 104 LYS PD 104 LYS 5.80
24 Hb3 104 LYS H 105 HIS 2.60
25 Hb3 104 LYS H 105 HIS -2.10
26 Hb2 104 LYS H 105 HIS 3.22
27 Hb2 104 LYS H 105 HIS -2.20
28 Hb3 104 LYS PB 123 SER 3.90
29 Hb2 104 LYS PB 123 SER 4.90
30 Hb3 104 LYS HA 123 SER 5.00
31 HA 104 LYS H 105 HIS 3.00
Aminoacid 105 HIS
1 PB 105 HIS PB 74 GLN 6.80
2 PB 105 HIS PG 74 GLN 6.80
3 HD2 105 HIS PG 74 GLN 5.90 (Second set)
4 HA 105 HIS HG 75 SER 3.97
5 HA 105 HIS HG 75 SER -3.47
6 HD2 105 HIS HG 75 SER 5.00 (Second set)
7 PB 105 HIS HG 75 SER 5.90
8 PB 105 HIS H 75 SER 5.90
9 HE1 105 HIS H 77 SER 5.00
10 HD2 105 HIS HA 77 SER 3.00 (Second set)
11 HE1 105 HIS HA 77 SER 4.00
12 HE1 105 HIS PB 77 SER 5.90
13 HA 105 HIS HA 78 THR 3.00
14 H 105 HIS CG 78 THR 4.61
15 H 105 HIS CG 78 THR -3.97
16 HD2 105 HIS CG 78 THR 4.27
17 HD2 105 HIS CG 78 THR -3.56
18 HD2 105 HIS HA 78 THR 4.03
19 HD2 105 HIS HA 78 THR -3.53
20 HA 105 HIS H 79 MET 5.00
21 H 105 HIS Hb3 104 LYS 2.60
22 H 105 HIS Hb3 104 LYS -2.10
23 H 105 HIS Hb2 104 LYS 3.22
24 H 105 HIS Hb2 104 LYS -2.20
25 H 105 HIS HA 104 LYS 3.00
26 H 105 HIS Hb3 105 HIS 3.63
27 H 105 HIS Hb3 105 HIS -3.03
28 H 105 HIS Hb2 105 HIS 2.95
29 H 105 HIS Hb2 105 HIS -2.45
30 HA 105 HIS Hb3 105 HIS 4.00
31 HA 105 HIS Hb2 105 HIS 3.00
32 Hb3 105 HIS H 106 ILE 4.00
33 Hb2 105 HIS H 106 ILE 3.32
34 Hb2 105 HIS H 106 ILE -2.82
35 HA 105 HIS H 106 ILE 3.08
36 HA 105 HIS H 106 ILE -2.58
37 H 105 HIS H 124 VAL 3.25
38 H 105 HIS H 124 VAL -2.75
39 Hb3 105 HIS CB 124 VAL 6.20
40 Hb2 105 HIS CB 124 VAL 5.20
41 HD2 105 HIS PB 105 HIS 3.90
42 HD2 105 HIS CB 124 VAL 5.20 (First set)
43 HD2 105 HIS H 105 HIS 3.55
44 HD2 105 HIS H 105 HIS -2.85
Aminoacid 106 ILE
1 H 106 ILE CG2 57 VAL 6.00
2 H 106 ILE PG 74 GLN 5.90
3 PG1 106 ILE HG 75 SER 5.90
4 PG1 106 ILE H 75 SER 5.90
5 H 106 ILE H 75 SER 3.44
6 H 106 ILE H 75 SER -2.94
7 H 106 ILE HG 75 SER 3.20
8 H 106 ILE HG 75 SER -2.70
9 H 106 ILE PB 75 SER 5.90
10 PG1 106 ILE PB 75 SER 6.80
11 H 106 ILE HA 78 THR 5.00
12 H 106 ILE Hb3 105 HIS 4.00
13 H 106 ILE Hb2 105 HIS 3.32
14 H 106 ILE Hb2 105 HIS -2.82
15 H 106 ILE HA 105 HIS 3.08
16 H 106 ILE HA 105 HIS -2.58
17 H 106 ILE CG2 106 ILE 5.00
18 H 106 ILE PG1 106 ILE 3.90
19 CG2 106 ILE HA 106 ILE 4.00
20 HA 106 ILE H 107 ILE 3.00
21 HB 106 ILE H 107 ILE 2.70
22 HB 106 ILE H 107 ILE -2.20
23 CG2 106 ILE H 107 ILE 5.00
24 HA 106 ILE PG1 107 ILE 5.90
25 HA 106 ILE CG2 107 ILE 6.00
26 HA 106 ILE PG1 106 ILE 5.90
27 CG2 106 ILE PB 123 SER 6.90
28 HB 106 ILE HA 123 SER 5.00
29 CG2 106 ILE HA 123 SER 5.00
30 HA 106 ILE HA 123 SER 2.92
31 HA 106 ILE HA 123 SER -2.42
32 H 106 ILE CB 124 VAL 7.20
33 HB 106 ILE PG1 106 ILE 3.90
34 CG2 106 ILE CZ 120 PHE 6.10
35 CG2 106 ILE HZ 120 PHE 4.00
36 HB 106 ILE HE2 120 PHE 4.00
37 HA 106 ILE HZ 120 PHE 5.00
38 HA 106 ILE PB 123 SER 4.90
39 HA 106 ILE HE2 120 PHE 4.00
40 CG2 106 ILE HD2 120 PHE 5.00
41 HB 106 ILE HZ 120 PHE 3.00
Aminoacid 107 ILE
1 CD 107 ILE CG2 63 VAL 7.00
2 CG2 107 ILE H 72 CYS 6.00
3 CG2 107 ILE Hb3 72 CYS 2.63
4 CG2 107 ILE Hb3 72 CYS -1.98
5 CG2 107 ILE Hb2 72 CYS 5.00
6 CG2 107 ILE H 73 TYR 5.00
7 CD 107 ILE HA 74 GLN 5.00
8 PG1 107 ILE HA 74 GLN 4.90
9 H 107 ILE HA 106 ILE 3.00
10 H 107 ILE HB 106 ILE 2.70
11 H 107 ILE HB 106 ILE -2.20
12 H 107 ILE CG2 106 ILE 5.00
13 PG1 107 ILE HA 106 ILE 5.90
14 CG2 107 ILE HA 106 ILE 6.00
15 H 107 ILE CG2 107 ILE 6.00
16 H 107 ILE HA 123 SER 4.00
17 H 107 ILE CD 107 ILE 6.00
18 H 107 ILE PG1 107 ILE 3.90
19 HA 107 ILE CG2 107 ILE 4.00
20 HA 107 ILE CD 107 ILE 4.00
21 HA 107 ILE PG1 107 ILE 4.90
22 CD 107 ILE HB 107 ILE 4.00
23 HA 107 ILE H 108 VAL 3.00
24 HB 107 ILE H 108 VAL 5.00
25 CG2 107 ILE H 108 VAL 5.00
26 CG2 107 ILE H 122 ALA 4.94
27 CG2 107 ILE H 122 ALA -2.77
28 CD 107 ILE H 122 ALA 5.00
29 HB 107 ILE H 122 ALA 2.75
30 HB 107 ILE H 122 ALA -2.25
31 CG2 107 ILE Hb3 121 ASP 3.34
32 CG2 107 ILE Hb3 121 ASP -2.58
33 CG2 107 ILE Hb2 121 ASP 5.00
34 H 107 ILE H 122 ALA 4.00
35 H 107 ILE CZ 120 PHE 7.10
Aminoacid 108 VAL
1 CG1 108 VAL HD1 8 PHE 4.00
2 CG1 108 VAL HE1 8 PHE 3.94
3 CG1 108 VAL HE1 8 PHE -3.04
4 CG2 108 VAL HE1 8 PHE 6.00
5 CG1 108 VAL HZ 8 PHE 6.00
6 CG2 108 VAL HZ 8 PHE 6.00
7 CG2 108 VAL HB 57 VAL 3.67
8 CG2 108 VAL HB 57 VAL -2.98
9 CG2 108 VAL H 57 VAL 6.00
10 CG1 108 VAL H 57 VAL 6.00
11 CG2 108 VAL HA 58 CYS 6.00
12 CG2 108 VAL PB 73 TYR 6.90
13 CG2 108 VAL HD2 73 TYR 6.00
14 H 108 VAL HA 74 GLN 4.00
15 H 108 VAL HA 107 ILE 3.00
16 H 108 VAL HB 107 ILE 5.00
17 H 108 VAL CG2 107 ILE 5.00
18 H 108 VAL CG2 108 VAL 4.00
19 H 108 VAL CG1 108 VAL 5.00
20 H 108 VAL HB 108 VAL 5.00
21 HA 108 VAL HB 108 VAL 2.72
22 HA 108 VAL HB 108 VAL -2.22
23 HA 108 VAL CG2 108 VAL 6.00
24 HA 108 VAL CG1 108 VAL 5.00
25 CG2 108 VAL H 109 ALA 4.72
26 CG2 108 VAL H 109 ALA -4.00
27 CG1 108 VAL H 109 ALA 4.91
28 HA 108 VAL H 109 ALA 3.00
29 HB 108 VAL H 109 ALA 2.82
30 HB 108 VAL H 109 ALA -2.32
31 HA 108 VAL HA 120 PHE 3.37
32 HA 108 VAL HA 120 PHE -2.85
33 CG2 108 VAL HA 117 PRO 6.00
34 CG1 108 VAL HA 120 PHE 5.00
35 CG1 108 VAL HD2 120 PHE 7.10
Aminoacid 109 ALA
1 CB 109 ALA ND2 71 ASN 6.00
2 HA 109 ALA H 72 CYS 5.00
3 CB 109 ALA HA 72 CYS 4.47
4 CB 109 ALA HA 72 CYS -3.58
5 HA 109 ALA HA 72 CYS 2.49
6 HA 109 ALA HA 72 CYS -1.99
7 CB 109 ALA H 73 TYR 6.00
8 HA 109 ALA HD2 73 TYR 5.00
9 H 109 ALA CG2 108 VAL 4.72
10 H 109 ALA CG2 108 VAL -4.00
11 H 109 ALA CG1 108 VAL 4.91
12 H 109 ALA HA 108 VAL 3.00
13 H 109 ALA HB 108 VAL 2.82
14 H 109 ALA HB 108 VAL -2.32
15 H 109 ALA CB 109 ALA 3.64
16 H 109 ALA CB 109 ALA -3.00
17 HA 109 ALA H 110 CYS 2.55
18 HA 109 ALA H 110 CYS -2.05
19 CB 109 ALA H 110 CYS 4.45
20 CB 109 ALA H 110 CYS -3.42
21 CB 109 ALA H 118 VAL 6.00
22 CB 109 ALA H 119 HIS 5.00
23 CB 109 ALA HA 119 HIS 5.45
24 CB 109 ALA HA 119 HIS -4.64
25 HA 109 ALA PB 119 HIS 5.90
26 H 109 ALA PB 119 HIS 5.90
27 H 109 ALA CG2 118 VAL 6.00
28 H 109 ALA PB 117 PRO 5.90
29 CB 109 ALA CG2 118 VAL 5.36
30 CB 109 ALA CG2 118 VAL -3.84
31 H 109 ALA H 119 HIS 3.20
32 H 109 ALA H 119 HIS -2.70
33 CB 109 ALA HD2 119 HIS 3.46
34 CB 109 ALA HD2 119 HIS -2.78
35 H 109 ALA HD2 119 HIS 3.00 (Second set)
36 CB 109 ALA PB 119 HIS 5.90
Aminoacid 110 CYS
1 H 110 CYS Hb2 71 ASN 5.00
2 H 110 CYS HD21 71 ASN 4.08
3 H 110 CYS HD21 71 ASN -3.58
4 H 110 CYS HD22 71 ASN 3.75
5 H 110 CYS HD22 71 ASN -3.25
6 H 110 CYS HA 72 CYS 3.42
7 H 110 CYS HA 72 CYS -2.84
8 H 110 CYS HD2 73 TYR 3.98
9 H 110 CYS HD2 73 TYR -3.26
10 Hb3 110 CYS HD2 73 TYR 3.44
11 Hb3 110 CYS HD2 73 TYR -2.67
12 Hb3 110 CYS HE2 73 TYR 4.00
13 H 110 CYS HA 109 ALA 2.55
14 H 110 CYS HA 109 ALA -2.05
15 H 110 CYS CB 109 ALA 4.45
16 H 110 CYS CB 109 ALA -3.42
17 HA 110 CYS Hb3 110 CYS 2.66
18 HA 110 CYS Hb3 110 CYS -2.16
19 HA 110 CYS Hb2 110 CYS 3.01
20 HA 110 CYS Hb2 110 CYS -2.51
21 H 110 CYS Hb3 110 CYS 4.03
22 H 110 CYS Hb3 110 CYS -3.34
23 H 110 CYS Hb2 110 CYS 3.14
24 H 110 CYS Hb2 110 CYS -2.64
25 HA 110 CYS H 111 GLU 2.64
26 HA 110 CYS H 111 GLU -2.14
27 Hb3 110 CYS H 111 GLU 3.36
28 Hb3 110 CYS H 111 GLU -2.86
29 Hb2 110 CYS H 111 GLU 3.37
30 Hb2 110 CYS H 111 GLU -2.78
31 HA 110 CYS CG2 118 VAL 4.00
32 HA 110 CYS CG1 118 VAL 5.00
33 HA 110 CYS H 118 VAL 4.00
34 HA 110 CYS H 119 HIS 5.00
35 HA 110 CYS H 116 VAL 8.40
36 HA 110 CYS H 116 VAL -4.79
37 HA 110 CYS HA 117 PRO 3.35
38 HA 110 CYS HA 117 PRO -2.85
39 Hb2 110 CYS HD2 115 TYR 4.00
40 Hb3 110 CYS HE2 115 TYR 4.00
41 Hb2 110 CYS HE2 115 TYR 3.00
Aminoacid 111 GLU
1 H 111 GLU HA 110 CYS 2.64
2 H 111 GLU HA 110 CYS -2.14
3 H 111 GLU Hb3 110 CYS 3.36
4 H 111 GLU Hb3 110 CYS -2.86
5 H 111 GLU Hb2 110 CYS 3.37
6 H 111 GLU Hb2 110 CYS -2.78
7 H 111 GLU PB 111 GLU 4.90
8 H 111 GLU PG 111 GLU 5.90
9 PB 111 GLU CG1 118 VAL 5.90
10 PG 111 GLU CG2 118 VAL 6.90
11 HA 111 GLU PB 111 GLU 4.90
12 HA 111 GLU PG 111 GLU 4.90
13 PB 111 GLU H 112 GLY 4.90
14 HA 111 GLU H 112 GLY 3.00
15 H 111 GLU CG2 118 VAL 4.31
16 H 111 GLU CG2 118 VAL -3.64
17 H 111 GLU CG1 118 VAL 4.00
18 H 111 GLU HA 117 PRO 4.00
19 H 111 GLU HA 115 TYR 5.47
20 H 111 GLU HA 115 TYR -4.14
21 PB 111 GLU CB 118 VAL 5.90
22 PG 111 GLU CG2 118 VAL 6.90
23 H 111 GLU H 116 VAL 2.74
24 H 111 GLU H 116 VAL -2.24
25 H 111 GLU CZ 115 TYR 7.10
26 HA 111 GLU HD1 115 TYR 4.00
27 HA 111 GLU HE1 115 TYR 5.00
Aminoacid 112 GLY
1 H 112 GLY PB 111 GLU 4.90
2 H 112 GLY HA 111 GLU 3.00
3 PA 112 GLY H 113 ASN 4.90
4 H 112 GLY HD1 115 TYR 3.96
5 H 112 GLY HD1 115 TYR -3.46
6 H 112 GLY HE1 115 TYR 5.00
Aminoacid 113 ASN
1 H 113 ASN PA 112 GLY 4.90
2 H 113 ASN Hb3 113 ASN 2.88
3 H 113 ASN Hb3 113 ASN -2.38
4 H 113 ASN Hb2 113 ASN 3.93
5 H 113 ASN Hb2 113 ASN -3.43
6 HA 113 ASN Hb3 113 ASN 4.00
7 HA 113 ASN Hb2 113 ASN 3.00
8 Hb3 113 ASN ND2 113 ASN 4.10
Aminoacid 114 PRO
1 PD 114 PRO PG 114 PRO 4.80
2 PB 114 PRO H 115 TYR 4.90
3 PG 114 PRO CG1 116 VAL 6.90
Aminoacid 115 TYR
1 HD2 115 TYR Hb3 58 CYS 2.85
2 HD2 115 TYR Hb3 58 CYS -2.35
3 HE2 115 TYR Hb2 58 CYS 4.00
4 HD2 115 TYR Hb2 110 CYS 4.00
5 HE2 115 TYR Hb3 110 CYS 4.00
6 HE2 115 TYR Hb2 110 CYS 3.00
7 HA 115 TYR H 111 GLU 5.47
8 HA 115 TYR H 111 GLU -4.14
9 CZ 115 TYR H 111 GLU 7.10
10 HD1 115 TYR HA 111 GLU 4.00
11 HE1 115 TYR HA 111 GLU 5.00
12 HD1 115 TYR H 112 GLY 3.96
13 HD1 115 TYR H 112 GLY -3.46
14 HE1 115 TYR H 112 GLY 5.00
15 H 115 TYR PB 114 PRO 4.90
16 H 115 TYR Hb3 115 TYR 3.00
17 Hb2 115 TYR H 115 TYR 2.85
18 Hb3 115 TYR HA 115 TYR 3.08
19 Hb2 115 TYR HA 115 TYR 2.85
20 HA 115 TYR H 116 VAL 2.06
21 Hb3 115 TYR H 116 VAL 5.00
22 Hb2 115 TYR H 116 VAL 3.47
23 CG 115 TYR PB 115 TYR 6.00
24 CG 115 TYR HA 115 TYR 5.10
25 CG 115 TYR CG1 116 VAL 8.10
26 CG 115 TYR H 116 VAL 6.20
27 CZ 115 TYR PB 115 TYR 8.00
28 CZ 115 TYR HA 115 TYR 7.10
Aminoacid 116 VAL
1 CG2 116 VAL CB 5 ALA 4.20
2 CG1 116 VAL HE22 55 GLN 5.00
3 CG1 116 VAL HE21 55 GLN 5.00
4 H 116 VAL HA 110 CYS 8.40
5 H 116 VAL HA 110 CYS -4.79
6 H 116 VAL H 111 GLU 2.74
7 H 116 VAL H 111 GLU -2.24
8 CG1 116 VAL PG 114 PRO 6.90
9 H 116 VAL HA 115 TYR 2.06
10 H 116 VAL Hb3 115 TYR 5.00
11 H 116 VAL Hb2 115 TYR 3.47
12 CG1 116 VAL CG 115 TYR 8.10
13 H 116 VAL CG 115 TYR 6.20
14 H 116 VAL CG2 116 VAL 3.32
15 H 116 VAL CG1 116 VAL 4.00
16 HA 116 VAL CG2 116 VAL 4.00
17 HA 116 VAL CG1 116 VAL 5.00
18 HB 116 VAL PD 117 PRO 3.90
19 CG2 116 VAL PD 117 PRO 6.90
20 CG1 116 VAL PD 117 PRO 6.90
Aminoacid 117 PRO
1 PB 117 PRO HD1 8 PHE 4.90
2 PB 117 PRO CZ 8 PHE 8.00
3 PB 117 PRO HZ 8 PHE 5.90
4 PG 117 PRO PB 55 GLN 5.80
5 HA 117 PRO CG2 108 VAL 6.00
6 PB 117 PRO H 109 ALA 5.90
7 HA 117 PRO HA 110 CYS 3.35
8 HA 117 PRO HA 110 CYS -2.85
9 HA 117 PRO H 111 GLU 4.00
10 PD 117 PRO HB 116 VAL 3.90
11 PD 117 PRO CG2 116 VAL 6.90
12 PD 117 PRO CG1 116 VAL 6.90
13 PD 117 PRO PB 117 PRO 6.80
14 PD 117 PRO PG 117 PRO 4.80
15 PG 117 PRO PB 117 PRO 4.80
16 HA 117 PRO PB 117 PRO 3.90
17 HA 117 PRO H 118 VAL 3.00
18 HA 117 PRO CG2 118 VAL 6.00
19 HA 117 PRO CG1 118 VAL 5.00
20 PB 117 PRO H 118 VAL 5.90
21 PG 117 PRO H 118 VAL 5.90
22 PB 117 PRO H 119 HIS 5.90
23 HA 117 PRO H 119 HIS 4.00
Aminoacid 118 VAL
1 CG1 118 VAL CB 4 ALA 7.00
2 CG2 118 VAL CB 4 ALA 5.00
3 HA 118 VAL CB 4 ALA 6.00
4 CG1 118 VAL HA 5 ALA 4.10
5 H 118 VAL CB 109 ALA 6.00
6 CG2 118 VAL H 109 ALA 6.00
7 CG2 118 VAL CB 109 ALA 5.36
8 CG2 118 VAL CB 109 ALA -3.84
9 CG2 118 VAL HA 110 CYS 4.00
10 CG1 118 VAL HA 110 CYS 5.00
11 H 118 VAL HA 110 CYS 4.00
12 CG1 118 VAL PB 111 GLU 5.90
13 CG2 118 VAL PG 111 GLU 6.90
14 CG2 118 VAL H 111 GLU 4.31
15 CG2 118 VAL H 111 GLU -3.64
16 CG1 118 VAL H 111 GLU 4.00
17 CB 118 VAL PB 111 GLU 5.90
18 CG2 118 VAL PG 111 GLU 6.90
19 H 118 VAL HA 117 PRO 3.00
20 CG2 118 VAL HA 117 PRO 6.00
21 CG1 118 VAL HA 117 PRO 5.00
22 H 118 VAL PB 117 PRO 5.90
23 H 118 VAL PG 117 PRO 5.90
24 H 118 VAL HB 118 VAL 4.00
25 H 118 VAL CG2 118 VAL 3.40
26 H 118 VAL CG1 118 VAL 4.16
27 HA 118 VAL CG2 118 VAL 4.49
28 HA 118 VAL CG1 118 VAL 4.00
29 HB 118 VAL H 119 HIS 5.00
30 HA 118 VAL H 119 HIS 4.00
31 H 118 VAL H 119 HIS 2.50
32 CG2 118 VAL H 119 HIS 3.91
33 CG2 118 VAL HA 119 HIS 5.26
34 CG2 118 VAL PB 119 HIS 6.90
35 CG2 118 VAL HD2 119 HIS 4.00 (First set)
36 CG1 118 VAL HD2 119 HIS 6.00 (First set)
Aminoacid 119 HIS
1 HA 119 HIS HD1 8 PHE 3.11
2 HA 119 HIS HD1 8 PHE -2.61
3 H 119 HIS HD1 8 PHE 3.62
4 H 119 HIS HD1 8 PHE -3.12
5 HA 119 HIS HD2 12 HIS 5.00
6 H 119 HIS CB 109 ALA 5.00
7 HA 119 HIS CB 109 ALA 5.45
8 HA 119 HIS CB 109 ALA -4.64
9 PB 119 HIS HA 109 ALA 5.90
10 PB 119 HIS H 109 ALA 5.90
11 H 119 HIS H 109 ALA 3.20
12 H 119 HIS H 109 ALA -2.70
13 HD2 119 HIS CB 109 ALA 3.46
14 HD2 119 HIS CB 109 ALA -2.78
15 HD2 119 HIS H 109 ALA 3.00 (Second set)
16 PB 119 HIS CB 109 ALA 5.90
17 H 119 HIS HA 110 CYS 5.00
18 H 119 HIS PB 117 PRO 5.90
19 H 119 HIS HA 117 PRO 4.00
20 H 119 HIS HB 118 VAL 5.00
21 H 119 HIS HA 118 VAL 4.00
22 H 119 HIS H 118 VAL 2.50
23 H 119 HIS CG2 118 VAL 3.91
24 HA 119 HIS CG2 118 VAL 5.26
25 PB 119 HIS CG2 118 VAL 6.90
26 HD2 119 HIS CG2 118 VAL 4.00 (First set)
27 HD2 119 HIS CG1 118 VAL 6.00 (First set)
28 HA 119 HIS PB 119 HIS 3.90
29 H 119 HIS PB 119 HIS 3.90
30 PB 119 HIS H 120 PHE 5.90
31 HD2 119 HIS PB 121 ASP 3.90 (Second set)
32 HE1 119 HIS HA 121 ASP 4.00 (Second set)
33 HE1 119 HIS PB 121 ASP 5.90 (Second set)
34 HD2 119 HIS PB 119 HIS 3.00
35 HD2 119 HIS HA 119 HIS 5.00
36 HA 119 HIS H 120 PHE 2.47
Aminoacid 120 PHE
1 Hb3 120 PHE HD1 8 PHE 4.00
2 Hb2 120 PHE HD1 8 PHE 2.64
3 Hb2 120 PHE HD1 8 PHE -2.14
4 HA 120 PHE HD1 8 PHE 4.00
5 Hb2 120 PHE HE1 8 PHE 4.00
6 HA 120 PHE HE1 8 PHE 5.00
7 H 120 PHE HD1 8 PHE 3.43
8 H 120 PHE HD1 8 PHE -2.93
9 Hb3 120 PHE HE1 12 HIS 4.00
10 Hb2 120 PHE HE1 12 HIS 4.00
11 HD2 120 PHE Hb2 12 HIS 5.00
12 Hb3 120 PHE HD2 12 HIS 5.00
13 Hb2 120 PHE HD2 12 HIS 5.00
14 Hb2 120 PHE HD1 12 HIS 5.00
15 HZ 120 PHE CG 45 THR 4.00
16 HE1 120 PHE HB 45 THR 5.00
17 HD1 120 PHE HB 45 THR 3.97
18 HD1 120 PHE HB 45 THR -3.47
19 HD1 120 PHE CG 45 THR 4.00
20 HZ 120 PHE HB 45 THR 5.00
21 HD2 120 PHE CG2 47 VAL 4.63
22 HD2 120 PHE CG2 47 VAL -3.89
23 HE2 120 PHE CG2 47 VAL 3.50
24 HE2 120 PHE CG2 47 VAL -2.80
25 HZ 120 PHE CG2 47 VAL 5.00
26 CZ 120 PHE CD 81 ILE 8.10
27 CZ 120 PHE CG2 106 ILE 6.10
28 HZ 120 PHE CG2 106 ILE 4.00
29 HE2 120 PHE HB 106 ILE 4.00
30 HZ 120 PHE HA 106 ILE 5.00
31 HE2 120 PHE HA 106 ILE 4.00
32 HD2 120 PHE CG2 106 ILE 5.00
33 HZ 120 PHE HB 106 ILE 3.00
34 CZ 120 PHE H 107 ILE 7.10
35 HA 120 PHE HA 108 VAL 3.37
36 HA 120 PHE HA 108 VAL -2.85
37 HA 120 PHE CG1 108 VAL 5.00
38 HD2 120 PHE CG1 108 VAL 7.10
39 H 120 PHE PB 119 HIS 5.90
40 H 120 PHE HA 119 HIS 2.47
41 H 120 PHE Hb3 120 PHE 3.02
42 Hb2 120 PHE H 120 PHE 3.88
43 HA 120 PHE Hb3 120 PHE 4.00
44 HA 120 PHE Hb2 120 PHE 3.37
45 HA 120 PHE CG 120 PHE 5.10
46 HD1 120 PHE H 121 ASP 3.43
47 HD1 120 PHE HA 122 ALA 5.00
48 HE1 120 PHE HA 122 ALA 4.00
49 HE1 120 PHE PB 123 SER 5.90
50 HZ 120 PHE H 121 ASP 5.00
51 HE1 120 PHE HA 122 ALA 4.00
52 HZ 120 PHE PB 123 SER 4.90
53 HE1 120 PHE HA 123 SER 5.00
54 HZ 120 PHE H 123 SER 4.00
55 HZ 120 PHE HA 123 SER 4.08
Aminoacid 121 ASP
1 Hb3 121 ASP CG2 107 ILE 3.34
2 Hb3 121 ASP CG2 107 ILE -2.58
3 Hb2 121 ASP CG2 107 ILE 5.00
4 PB 121 ASP HD2 119 HIS 3.90 (Second set)
5 HA 121 ASP HE1 119 HIS 4.00 (Second set)
6 PB 121 ASP HE1 119 HIS 5.90 (Second set)
7 H 121 ASP HD1 120 PHE 3.43
8 H 121 ASP HZ 120 PHE 5.00
9 H 121 ASP Hb3 121 ASP 3.00
10 H 121 ASP Hb2 121 ASP 4.00
11 HA 121 ASP Hb3 121 ASP 4.00
12 HA 121 ASP Hb2 121 ASP 3.00
13 H 121 ASP H 122 ALA 2.75
14 Hb3 121 ASP H 122 ALA 4.00
15 Hb2 121 ASP H 122 ALA 3.15
Aminoacid 122 ALA
1 H 122 ALA CG2 107 ILE 4.94
2 H 122 ALA CG2 107 ILE -2.77
3 H 122 ALA CD 107 ILE 5.00
4 H 122 ALA HB 107 ILE 2.75
5 H 122 ALA HB 107 ILE -2.25
6 H 122 ALA H 107 ILE 4.00
7 HA 122 ALA HD1 120 PHE 5.00
8 HA 122 ALA HE1 120 PHE 4.00
9 HA 122 ALA HE1 120 PHE 4.00
10 H 122 ALA H 121 ASP 2.75
11 H 122 ALA Hb3 121 ASP 4.00
12 H 122 ALA Hb2 121 ASP 3.15
13 CB 122 ALA H 122 ALA 4.17
14 CB 122 ALA H 123 SER 4.23
15 HA 122 ALA H 123 SER 3.00
Aminoacid 123 SER
1 PB 123 SER Hb3 104 LYS 3.90
2 PB 123 SER Hb2 104 LYS 4.90
3 HA 123 SER Hb3 104 LYS 5.00
4 PB 123 SER CG2 106 ILE 6.90
5 HA 123 SER HB 106 ILE 5.00
6 HA 123 SER CG2 106 ILE 5.00
7 HA 123 SER HA 106 ILE 2.92
8 HA 123 SER HA 106 ILE -2.42
9 PB 123 SER HA 106 ILE 4.90
10 HA 123 SER H 107 ILE 4.00
11 PB 123 SER HE1 120 PHE 5.90
12 PB 123 SER HZ 120 PHE 4.90
13 HA 123 SER HE1 120 PHE 5.00
14 H 123 SER HZ 120 PHE 4.00
15 HA 123 SER HZ 120 PHE 4.08
16 H 123 SER CB 122 ALA 4.23
17 H 123 SER HA 122 ALA 3.00
Aminoacid 124 VAL
1 CB 124 VAL HE21 74 GLN 6.20
2 CB 124 VAL HE22 74 GLN 6.20
3 H 124 VAL H 105 HIS 3.25
4 H 124 VAL H 105 HIS -2.75
5 CB 124 VAL Hb3 105 HIS 6.20
6 CB 124 VAL Hb2 105 HIS 5.20
7 CB 124 VAL HD2 105 HIS 5.20 (First set)
8 CB 124 VAL H 106 ILE 7.20
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