Secondary structure calculation program - copyright by David Keith Smith, 1989
1ivyA.pdb
1IVY CARBOXYPEPTIDASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 452
A A K K hydrogen bonding Ooi's
strk chain/ l amino u & S structure bridge dihedral angles donor acceptor donor acceptor N N
num seq.no t acids t S + patterns partners phi psi omega alpha kappa tco to/energy fr/energy to/energy fr/energy 8 14
1 A 1 ALA A 0 0 999.9 150.6 179.0 999.9 999.9 999.9 0 0.0 3 -1.0 0 0.0 0 0.0 6 36
2 A 2 PRO P t > > T - 0 0 -86.6 103.3 -179.2 -162.9 999.9 141.5 0 0.0 5 -2.4 0 0.0 6 -0.9 7 32
3 A 3 ASP D T T 4 3 TS+ 0 0 -52.2 -33.9 -179.8 62.8 88.2 37.9 1 -1.0 0 0.0 0 0.0 0 0.0 5 27
4 A 4 GLN Q T T 4 3 TS+ 0 0 -70.1 -12.6 179.8 51.1 101.8 56.0 0 0.0 0 0.0 0 0.0 0 0.0 4 27
5 A 5 ASP D T T 4 < TS+ 0 0 -97.0 -26.7 -179.7 112.8 82.5 46.9 2 -2.4 23 -2.6 0 0.0 0 0.0 10 39
6 A 6 GLU E B B < A T - 22 0 -49.9 145.8 178.8 -122.8 69.8 94.9 2 -0.9 8 -0.6 0 0.0 0 0.0 10 38
7 A 7 ILE I + 0 0 -94.8 117.2 -177.6 179.1 30.6 148.4 21 -2.9 0 0.0 0 0.0 0 0.0 12 40
8 A 8 GLN Q S S S+ 0 0 -84.9 -61.1 179.9 11.1 70.4 16.2 6 -0.6 10 -0.5 0 0.0 0 0.0 5 34
9 A 9 ARG R S S S- 0 0 -127.4 95.4 -179.3 -164.8 70.2 146.6 0 0.0 0 0.0 0 0.0 0 0.0 6 31
10 A 10 LEU L t > T - 0 0 -81.2 118.7 179.8 -126.1 22.7 133.5 8 -0.5 13 -1.0 0 0.0 0 0.0 10 47
11 A 11 PRO P T T 3 TS+ 0 0 -54.9 167.4 178.4 38.5 88.3 86.3 0 0.0 0 0.0 0 0.0 0 0.0 9 40
12 A 12 GLY G T T 3 TS+ 0 0 72.4 -10.1 178.1 109.0 88.7 66.4 0 0.0 82 -2.4 0 0.0 14 -0.5 7 40
13 A 13 LEU L t < T - 0 0 -101.6 126.3 179.5 -166.7 50.1 155.8 10 -1.0 0 0.0 0 0.0 0 0.0 9 35
14 A 14 ALA A S S S+ 0 0 -76.2 -41.8 177.2 33.0 84.2 28.4 12 -0.5 0 0.0 0 0.0 0 0.0 4 21
15 A 15 LYS K S S S- 0 0 -119.5 127.2 -179.4 -116.9 96.0 169.0 0 0.0 0 0.0 0 0.0 0 0.0 4 21
16 A 16 GLN Q - 0 0 -59.1 148.3 179.5 -88.9 38.8 101.0 0 0.0 0 0.0 0 0.0 0 0.0 7 27
17 A 17 PRO P - 0 0 -58.9 150.9 179.0 -143.9 19.5 104.0 0 0.0 0 0.0 0 0.0 0 0.0 5 37
18 A 18 SER S S S S+ 0 0 -95.6 1.6 -178.8 61.4 85.2 69.2 0 0.0 0 0.0 0 0.0 0 0.0 5 32
19 A 19 PHE F S S S- 0 0 -127.2 155.5 -179.9 -105.4 91.8 154.3 0 0.0 0 0.0 0 0.0 0 0.0 8 41
20 A 20 ARG R e - 0 0 -83.7 146.3 -179.4 -175.9 35.5 124.8 0 0.0 40 -2.4 0 0.0 0 0.0 9 43
21 A 21 GLN Q E E AA - 39 0 -143.6 135.9 -178.4 -158.6 5.6 173.0 0 0.0 7 -2.9 0 0.0 0 0.0 10 59
22 A 22 TYR Y E E AAA - 38 6 -119.2 155.7 178.0 -168.3 7.4 150.2 38 -2.1 38 -2.6 0 0.0 0 0.0 12 54
23 A 23 SER S E E AA + 37 0 -145.7 122.5 -179.8 95.2 37.1 164.7 5 -2.6 0 0.0 0 0.0 0 0.0 13 56
24 A 24 GLY G E E AA - 36 0 -168.5 -147.1 -178.5 -60.1 63.1 142.2 36 -1.2 36 -2.3 0 0.0 0 0.0 11 56
25 A 25 TYR Y E E AA - 35 0 -130.5 144.1 178.0 -154.1 22.3 157.2 0 0.0 0 0.0 0 0.0 0 0.0 9 62
26 A 26 LEU L E E AA - 34 0 -111.7 132.1 -178.4 -123.7 30.7 162.8 34 -1.9 34 -2.8 0 0.0 0 0.0 12 57
27 A 27 LYS K E E AA + 33 0 -82.2 144.3 -179.4 177.5 34.7 127.6 0 0.0 0 0.0 0 0.0 0 0.0 10 44
28 A 28 SER S e - 0 0 -132.6 179.5 179.1 -45.0 38.0 141.0 32 -2.7 0 0.0 0 0.0 0 0.0 14 46
29 A 29 SER S S t > TS- 0 0 -43.4 152.2 179.4 -6.6 106.4 84.4 0 0.0 32 -1.9 0 0.0 0 0.0 8 40
30 A 30 GLY G T T 3 TS- 0 0 56.3 -139.4 -179.8 -26.8 132.2 104.7 0 0.0 0 0.0 0 0.0 0 0.0 5 32
31 A 31 SER S T e 3 TS+ 0 0 -96.2 29.1 -175.8 140.9 100.1 84.7 0 0.0 110 -1.9 0 0.0 0 0.0 8 32
32 A 32 LYS K E E A B< T - 0 109 -84.7 140.2 179.1 -179.0 29.9 120.0 29 -1.9 28 -2.7 0 0.0 0 0.0 13 47
33 A 33 HIS H E E AAB - 27 108 -136.4 110.1 -178.7 -157.3 12.7 162.5 108 -3.3 108 -2.4 0 0.0 35 -0.6 12 50
34 A 34 LEU L E E AA - 26 0 -95.5 116.2 178.8 -133.9 14.9 142.2 26 -2.8 26 -1.9 0 0.0 0 0.0 17 65
35 A 35 HIS H E E AA - 25 0 -67.4 123.2 177.9 -173.9 28.9 121.2 33 -0.6 99 -2.6 0 0.0 0 0.0 14 75
36 A 36 TYR Y E E AAC - 24 98 -114.3 160.4 177.6 -161.7 18.6 138.3 24 -2.3 24 -1.2 0 0.0 0 0.0 13 73
37 A 37 TRP W E E AAC - 23 97 -143.7 101.9 -177.3 -167.9 16.2 152.5 97 -1.6 97 -2.3 0 0.0 0 0.0 12 72
38 A 38 PHE F E E AAC - 22 96 -99.3 133.8 178.8 -171.6 6.6 145.7 22 -2.6 22 -2.1 0 0.0 0 0.0 11 71
39 A 39 VAL V E E AAC - 21 95 -125.6 120.6 -179.1 -133.4 20.5 173.2 95 -2.7 95 -2.3 0 0.0 0 0.0 13 62
40 A 40 GLU E e - 0 0 -74.8 153.6 178.8 -86.9 33.1 113.2 20 -2.4 0 0.0 0 0.0 0 0.0 12 53
41 A 41 SER S - 0 0 -52.8 148.5 -179.8 -134.8 29.6 99.3 0 0.0 0 0.0 0 0.0 0 0.0 14 51
42 A 42 GLN Q S S S+ 0 0 -86.9 -5.7 176.9 44.1 95.1 59.0 90 -1.6 0 0.0 0 0.0 0 0.0 11 38
43 A 43 LYS K S S S- 0 0 -145.5 113.6 178.7 -19.7 132.7 154.3 0 0.0 0 0.0 0 0.0 0 0.0 8 28
44 A 44 ASP D g > T + 0 0 61.3 53.4 179.9 174.9 62.9 26.2 0 0.0 47 -1.9 0 0.0 0 0.0 8 26
45 A 45 PRO P G G > TS+ 0 0 -55.9 -31.4 179.3 67.4 76.3 31.9 0 0.0 48 -1.1 0 0.0 0 0.0 12 39
46 A 46 GLU E G G 3 TS+ 0 0 -57.4 -35.1 -179.6 24.3 115.7 34.3 0 0.0 0 0.0 0 0.0 0 0.0 6 33
47 A 47 ASN N G G < TS+ 0 0 -119.4 20.4 179.3 110.4 98.8 82.5 44 -1.9 0 0.0 0 0.0 0 0.0 6 32
48 A 48 SER S S g < TS- 0 0 -97.1 144.7 179.8 -98.8 75.8 138.9 45 -1.1 0 0.0 0 0.0 0 0.0 13 44
49 A 49 PRO P e - 0 0 -56.0 152.4 176.2 -121.7 31.8 96.2 0 0.0 94 -2.9 0 0.0 51 -0.6 13 52
50 A 50 VAL V E E Ade - 94 144 -99.2 122.1 -178.3 -165.4 31.8 157.0 143 -2.8 145 -2.3 0 0.0 52 -0.6 13 63
51 A 51 VAL V E E Ade - 95 145 -116.6 118.4 179.1 -154.0 8.5 163.2 94 -3.3 96 -2.9 49 -0.6 0 0.0 12 73
52 A 52 LEU L E E Ade - 96 146 -87.2 136.3 176.5 -161.7 11.9 138.1 145 -2.4 147 -2.3 50 -0.6 0 0.0 13 78
53 A 53 TRP W E E Ade - 97 147 -123.0 128.7 177.8 -179.0 9.4 170.7 96 -3.0 98 -1.7 0 0.0 0 0.0 13 77
54 A 54 LEU L E E A e - 0 148 -125.7 132.3 176.2 -155.4 11.7 167.1 147 -1.7 149 -2.1 0 0.0 0 0.0 16 74
55 A 55 ASN N - 0 0 -88.6 -175.8 -177.2 -133.0 21.4 107.3 0 0.0 0 0.0 0 0.0 0 0.0 14 73
56 A 56 GLY G t > > T + 0 0 -112.5 -119.6 -178.3 115.0 52.4 70.8 0 0.0 60 -1.9 0 0.0 59 -0.5 15 77
57 A 57 GLY G T T 4 3 TS- 0 0 122.9 -100.6 1.3 -102.4 84.0 160.5 0 0.0 0 0.0 0 0.0 0 0.0 12 71
58 A 58 PRO P T T 4 3 TS+ 0 0 -68.0 142.3 -179.7 24.8 119.9 71.4 0 0.0 0 0.0 0 0.0 0 0.0 9 71
59 A 59 GLY G T T 4 < TS+ 0 0 107.2 15.5 -179.0 123.2 95.2 54.9 56 -0.5 335 -3.6 0 0.0 0 0.0 13 67
60 A 60 CYS C B B < B T - 334 0 -114.2 151.3 -175.4 -103.7 59.7 145.3 56 -1.9 0 0.0 0 0.0 0 0.0 14 72
61 A 61 SER S t > T - 0 0 -80.8 137.0 177.4 -150.6 4.1 120.1 333 -3.8 64 -1.4 0 0.0 0 0.0 16 69
62 A 62 SER S T h > 3 TS+ 0 0 -76.0 -2.9 177.7 78.8 94.0 61.1 0 0.0 66 -0.9 0 0.0 0 0.0 14 73
63 A 63 LEU L H H > 3 TS+ 0 0 -81.1 -2.1 176.3 67.1 83.8 63.1 0 0.0 67 -2.0 0 0.0 0 0.0 12 79
64 A 64 ASP D H H > <>TS+ 0 0 -78.8 -46.3 177.8 50.2 97.7 28.8 61 -1.4 68 -2.0 0 0.0 69 -0.9 11 73
65 A 65 GLY G H H 4 >TS+ 0 0 -61.7 -31.8 179.0 41.5 117.3 36.3 0 0.0 70 -3.5 0 0.0 0 0.0 14 72
66 A 66 LEU L H H < >TS+ 0 0 -78.2 -62.3 -176.3 33.4 122.4 13.2 62 -0.9 71 -1.9 0 0.0 0 0.0 13 69
67 A 67 LEU L H H < 5TS+ 0 0 -71.5 -19.3 -177.9 21.4 134.7 55.7 63 -2.0 75 -1.8 0 0.0 0 0.0 12 71
68 A 68 THR T T h < 5TS+ 0 0 -126.8 -13.8 -179.2 28.1 129.3 57.6 64 -2.0 0 0.0 0 0.0 0 0.0 12 57
69 A 69 GLU E T T T - 0 0 -100.4 167.4 180.0 -94.8 29.6 122.3 81 -2.4 79 -2.6 0 0.0 0 0.0 10 34
77 A 77 PRO P T T 3 TS+ 0 0 -55.2 -25.8 178.3 67.2 121.3 37.1 0 0.0 0 0.0 0 0.0 0 0.0 8 24
78 A 78 ASP D T T 3 TS- 0 0 -67.2 -15.5 -178.6 -135.3 100.2 43.5 0 0.0 0 0.0 0 0.0 0 0.0 7 25
79 A 79 GLY G S t < TS+ 0 0 65.5 26.6 -179.4 73.6 92.8 35.9 76 -2.6 0 0.0 0 0.0 0 0.0 12 36
80 A 80 VAL V S S S+ 0 0 -134.5 -41.6 -177.2 70.1 78.7 57.3 0 0.0 0 0.0 0 0.0 0 0.0 12 33
81 A 81 THR T e - 0 0 -94.9 146.2 178.0 -162.4 54.3 130.6 0 0.0 76 -2.4 0 0.0 0 0.0 11 36
82 A 82 LEU L E E BF - 75 0 -122.4 129.3 179.6 -162.3 7.6 165.7 12 -2.4 0 0.0 0 0.0 0 0.0 10 40
83 A 83 GLU E E E BF - 74 0 -115.2 137.4 179.2 -105.6 29.2 160.0 74 -2.0 74 -2.1 0 0.0 0 0.0 9 34
84 A 84 TYR Y E E BF - 73 0 -58.5 149.4 -177.5 -130.6 32.6 104.4 0 0.0 0 0.0 0 0.0 0 0.0 7 38
85 A 85 ASN N e > T - 0 0 -111.0 119.6 -179.7 -158.8 10.2 157.8 72 -3.0 88 -1.4 0 0.0 0 0.0 10 44
86 A 86 PRO P T T 3 TS+ 0 0 -68.6 -14.9 -178.3 49.1 94.9 51.8 0 0.0 0 0.0 0 0.0 0 0.0 5 40
87 A 87 TYR Y T T 3 TS+ 0 0 -114.0 23.5 -178.7 152.3 78.3 82.8 0 0.0 0 0.0 0 0.0 0 0.0 10 42
88 A 88 SER S g X T - 0 0 -57.2 134.5 179.2 -141.9 46.2 102.8 85 -1.4 91 -1.3 0 0.0 0 0.0 11 57
89 A 89 TRP W G G > TS+ 0 0 -67.9 -25.7 179.4 68.8 99.9 36.0 70 -1.8 92 -1.6 0 0.0 0 0.0 12 67
90 A 90 ASN N G G 3 TS+ 0 0 -74.9 6.6 176.6 86.5 74.3 70.9 0 0.0 42 -1.6 0 0.0 0 0.0 13 60
91 A 91 LEU L G G < TS+ 0 0 -73.6 -27.0 -178.2 14.7 111.5 40.7 88 -1.3 0 0.0 0 0.0 0 0.0 10 48
92 A 92 ILE I S g < TS+ 0 0 -130.0 8.2 -179.9 45.0 128.9 72.9 89 -1.6 0 0.0 0 0.0 0 0.0 13 48
93 A 93 ALA A S S S- 0 0 -150.2 159.5 176.7 -114.0 76.1 166.7 0 0.0 95 -0.8 0 0.0 0 0.0 15 56
94 A 94 ASN N E E A d - 0 50 -93.1 109.6 -176.8 -157.1 45.9 154.7 49 -2.9 51 -3.3 0 0.0 0 0.0 14 57
95 A 95 VAL V E E ACd - 39 51 -103.7 131.1 -179.5 -163.7 14.1 147.4 39 -2.3 39 -2.7 93 -0.8 97 -0.6 14 68
96 A 96 LEU L E E ACd - 38 52 -113.2 111.2 178.3 -163.4 3.4 162.1 51 -2.9 53 -3.0 0 0.0 98 -0.6 12 76
97 A 97 TYR Y E E ACd - 37 53 -95.0 119.2 -177.6 -165.6 12.8 151.3 37 -2.3 37 -1.6 95 -0.6 99 -0.5 14 69
98 A 98 LEU L E E AC - 36 0 -116.1 118.3 178.2 -143.8 17.6 157.0 53 -1.7 100 -0.9 96 -0.6 0 0.0 14 76
99 A 99 GLU E e - 0 0 -80.2 105.1 -178.2 -149.3 41.8 133.1 35 -2.6 0 0.0 97 -0.5 0 0.0 17 73
100 A 100 SER S + 0 0 -137.6 148.7 0.5 26.4 50.7 171.2 98 -0.9 0 0.0 0 0.0 0 0.0 16 83
101 A 101 PRO P S t > TS- 0 0 -82.2 -168.7 -179.6 -85.1 95.5 56.7 0 0.0 104 -1.6 0 0.0 0 0.0 11 77
102 A 102 ALA A T T 3 TS+ 0 0 -59.8 140.6 -179.4 34.8 114.3 107.6 0 0.0 0 0.0 0 0.0 0 0.0 12 70
103 A 103 GLY G T T 3 TS+ 0 0 100.4 -17.8 179.1 116.8 87.2 81.0 0 0.0 105 -0.5 0 0.0 0 0.0 13 63
104 A 104 VAL V S t X TS- 0 0 -87.7 123.1 179.3 -37.3 90.1 139.0 101 -1.6 107 -1.9 0 0.0 0 0.0 17 68
105 A 105 GLY G T T 3 TS- 0 0 69.4 -117.1 178.5 -16.5 130.2 118.8 103 -0.5 0 0.0 0 0.0 0 0.0 14 70
106 A 106 PHE F T T 3 TS+ 0 0 -104.2 9.4 178.7 112.0 111.6 80.2 0 0.0 0 0.0 0 0.0 0 0.0 13 58
107 A 107 SER S t < T + 0 0 -80.3 153.6 -178.4 153.8 42.6 122.7 104 -1.9 0 0.0 0 0.0 0 0.0 15 65
108 A 108 TYR Y E E AB - 33 0 -163.8 -178.4 178.0 -134.4 35.1 158.7 33 -2.4 33 -3.3 0 0.0 0 0.0 12 52
109 A 109 SER S E E AB - 32 0 -148.1 148.5 179.5 -116.5 30.2 165.2 0 0.0 0 0.0 0 0.0 0 0.0 13 41
110 A 110 ASP D S e S+ 0 0 -55.3 -50.2 -179.9 42.5 116.3 21.9 31 -1.9 0 0.0 0 0.0 0 0.0 6 28
111 A 111 ASP D S S S- 0 0 -72.7 -12.8 179.9 -139.4 99.6 48.9 0 0.0 0 0.0 0 0.0 0 0.0 5 21
112 A 112 LYS K + 0 0 60.2 31.4 178.8 147.8 49.6 36.6 0 0.0 114 -0.8 0 0.0 0 0.0 7 30
113 A 113 PHE F + 0 0 -99.1 107.9 -175.4 176.2 19.4 151.6 0 0.0 0 0.0 0 0.0 0 0.0 5 35
114 A 114 TYR Y + 0 0 -98.9 1.4 177.9 117.8 33.4 61.6 112 -0.8 0 0.0 0 0.0 0 0.0 10 43
115 A 115 ALA A + 0 0 -67.3 125.9 -178.3 149.6 43.4 118.3 0 0.0 0 0.0 0 0.0 0 0.0 9 39
116 A 116 THR T - 0 0 -146.7 -169.9 -176.9 -143.9 30.9 142.4 0 0.0 343 -2.0 0 0.0 0 0.0 10 45
117 A 117 ASN N B h > c T - 343 0 -157.0 170.6 -177.6 -84.4 39.5 163.9 0 0.0 121 -2.5 0 0.0 0 0.0 10 42
118 A 118 ASP D H H > TS+ 0 0 -49.5 -47.8 -177.8 46.1 121.0 35.4 343 -1.3 122 -1.8 0 0.0 0 0.0 13 50
119 A 119 THR T H H > TS+ 0 0 -66.4 -45.7 178.0 46.9 113.7 25.2 0 0.0 123 -1.7 0 0.0 0 0.0 8 41
120 A 120 GLU E H H > TS+ 0 0 -63.8 -41.2 -179.7 52.7 111.1 25.8 0 0.0 124 -2.4 0 0.0 0 0.0 8 48
121 A 121 VAL V H H X TS+ 0 0 -63.9 -40.5 179.4 50.0 108.1 23.2 117 -2.5 125 -2.9 0 0.0 0 0.0 12 64
122 A 122 ALA A H H X TS+ 0 0 -65.6 -37.1 178.7 46.1 113.7 26.9 118 -1.8 126 -1.6 0 0.0 0 0.0 12 58
123 A 123 GLN Q H H X TS+ 0 0 -72.5 -34.1 177.8 50.3 112.6 32.7 119 -1.7 127 -2.3 0 0.0 0 0.0 11 42
124 A 124 SER S H H X TS+ 0 0 -67.6 -47.4 178.3 44.7 113.4 19.6 120 -2.4 128 -2.4 0 0.0 0 0.0 12 51
125 A 125 ASN N H H X TS+ 0 0 -63.6 -35.9 179.4 53.0 113.2 35.5 121 -2.9 129 -2.1 0 0.0 0 0.0 12 69
126 A 126 PHE F H H X TS+ 0 0 -65.4 -45.8 179.4 44.1 111.2 21.4 122 -1.6 130 -1.4 0 0.0 0 0.0 12 60
127 A 127 GLU E H H X TS+ 0 0 -67.4 -34.1 177.4 51.6 113.4 31.8 123 -2.3 131 -1.9 0 0.0 0 0.0 11 46
128 A 128 ALA A H H X TS+ 0 0 -68.0 -40.4 178.8 53.7 106.7 27.0 124 -2.4 132 -2.6 0 0.0 0 0.0 12 56
129 A 129 LEU L H H X TS+ 0 0 -63.6 -31.4 177.6 52.4 107.4 33.7 125 -2.1 133 -1.7 0 0.0 0 0.0 9 70
130 A 130 GLN Q H H X TS+ 0 0 -68.6 -43.6 179.0 49.5 108.8 24.1 126 -1.4 134 -0.9 0 0.0 0 0.0 8 48
131 A 131 ASP D H H X > TS+ 0 0 -61.3 -45.1 178.5 56.4 105.9 24.9 127 -1.9 135 -1.9 0 0.0 134 -0.8 11 43
132 A 132 PHE F H H X 3 TS+ 0 0 -51.8 -49.0 -179.2 49.6 107.1 20.3 128 -2.6 136 -2.5 0 0.0 0 0.0 10 59
133 A 133 PHE F H H < 3 TS+ 0 0 -67.0 -20.1 176.9 50.7 109.7 46.7 129 -1.7 0 0.0 0 0.0 0 0.0 11 46
134 A 134 ARG R H H < < TS+ 0 0 -87.5 -22.2 177.0 43.2 115.1 42.1 130 -0.9 0 0.0 131 -0.8 0 0.0 7 28
135 A 135 LEU L H H < TS+ 0 0 -87.5 -28.6 179.3 31.2 127.9 43.5 131 -1.9 0 0.0 0 0.0 0 0.0 8 36
136 A 136 PHE F S h < > TS+ 0 0 -128.5 65.5 -179.7 161.0 70.0 119.5 132 -2.5 139 -2.2 0 0.0 0 0.0 10 48
137 A 137 PRO P G G > T + 0 0 -57.7 -25.7 -178.4 72.7 67.4 44.7 0 0.0 140 -1.4 0 0.0 0 0.0 9 30
138 A 138 GLU E G G 3 TS+ 0 0 -66.3 -17.8 -179.4 52.6 94.5 46.5 0 0.0 0 0.0 0 0.0 0 0.0 8 32
139 A 139 TYR Y G G X TS+ 0 0 -101.3 7.0 -180.0 102.4 74.1 72.2 136 -2.2 142 -1.0 0 0.0 0 0.0 9 40
140 A 140 LYS K T g < TS+ 0 0 -59.9 -28.4 -179.9 44.5 87.8 36.6 137 -1.4 0 0.0 0 0.0 0 0.0 10 36
141 A 141 ASN N T T 3 TS+ 0 0 -93.0 -10.3 -179.6 108.3 88.8 57.5 0 0.0 0 0.0 0 0.0 0 0.0 7 31
142 A 142 ASN N S t < TS- 0 0 -70.6 140.8 178.3 -98.7 84.3 115.2 139 -1.0 0 0.0 0 0.0 0 0.0 10 40
143 A 143 LYS K e - 0 0 -58.1 129.1 -178.9 -147.6 44.6 115.9 0 0.0 50 -2.8 0 0.0 0 0.0 10 51
144 A 144 LEU L E E Aeg - 50 171 -107.4 139.4 179.0 -175.2 17.8 152.5 170 -2.8 172 -3.4 0 0.0 173 -1.2 13 65
145 A 145 PHE F E E Aeg - 51 173 -132.0 137.4 179.1 -144.2 16.9 169.5 50 -2.3 52 -2.4 0 0.0 147 -0.6 13 71
146 A 146 LEU L E E Aeg + 52 174 -105.6 119.2 -177.6 170.0 30.3 160.8 173 -2.1 175 -1.6 0 0.0 0 0.0 13 71
147 A 147 THR T E E Aeg + 53 175 -129.8 156.5 -179.1 135.9 5.5 156.2 52 -2.3 54 -1.7 145 -0.6 0 0.0 13 78
148 A 148 GLY G E E Aeg - 54 176 -176.1 -173.7 -177.4 -112.4 33.1 170.8 175 -1.4 177 -2.5 0 0.0 0 0.0 16 70
149 A 149 GLU E E E A g> T - 0 177 -146.5 150.9 175.2 -17.4 63.4 166.8 54 -2.1 152 -2.1 0 0.0 0 0.0 14 76
150 A 150 SER S T e > TS+ 0 0 63.8 -112.0 179.6 14.9 134.1 113.3 177 -2.3 180 -2.2 0 0.0 153 -1.9 15 73
151 A 151 TYR Y T h > > TS+ 0 0 -66.7 -21.4 176.5 76.4 115.3 38.0 0 0.0 154 -3.2 0 0.0 155 -1.5 12 74
152 A 152 ALA A H H > < TS+ 0 0 -64.2 -2.2 177.6 80.1 73.9 60.1 149 -2.1 156 -2.6 0 0.0 0 0.0 16 76
153 A 153 GLY G H H 4 < TS+ 0 0 -74.2 -20.0 175.2 32.6 104.8 48.2 150 -1.9 0 0.0 0 0.0 0 0.0 16 73
154 A 154 ILE I H H > < TS+ 0 0 -92.3 -56.3 178.2 50.5 120.9 36.3 151 -3.2 158 -1.8 0 0.0 0 0.0 13 70
155 A 155 TYR Y H H X TS+ 0 0 -45.5 -57.6 -177.8 52.3 109.1 25.6 151 -1.5 159 -2.4 0 0.0 0 0.0 14 73
156 A 156 ILE I H H X TS+ 0 0 -54.3 -55.5 179.7 40.4 110.7 27.7 152 -2.6 160 -2.6 0 0.0 0 0.0 14 75
157 A 157 PRO P H H > TS+ 0 0 -66.5 -36.0 177.9 50.5 116.7 27.0 0 0.0 161 -1.9 0 0.0 0 0.0 12 70
158 A 158 THR T H H X TS+ 0 0 -64.3 -40.8 178.1 43.6 115.3 22.3 154 -1.8 162 -1.0 0 0.0 0 0.0 13 62
159 A 159 LEU L H H X TS+ 0 0 -69.3 -37.9 179.2 56.2 110.7 28.5 155 -2.4 163 -2.4 0 0.0 0 0.0 12 63
160 A 160 ALA A H H X TS+ 0 0 -62.0 -38.3 179.5 57.0 101.0 31.2 156 -2.6 164 -2.1 0 0.0 0 0.0 11 66
161 A 161 VAL V H H < TS+ 0 0 -63.2 -35.1 178.0 45.0 110.0 28.8 157 -1.9 0 0.0 0 0.0 0 0.0 11 55
162 A 162 LEU L H H < > TS+ 0 0 -72.3 -46.9 179.7 53.0 111.2 20.7 158 -1.0 165 -1.5 0 0.0 0 0.0 11 45
163 A 163 VAL V H H < > TS+ 0 0 -57.7 -36.3 179.5 59.4 101.3 32.8 159 -2.4 166 -1.6 0 0.0 0 0.0 10 50
164 A 164 MET M T h < 3 TS+ 0 0 -66.5 -20.5 178.8 58.0 100.3 44.1 160 -2.1 0 0.0 0 0.0 0 0.0 10 42
165 A 165 GLN Q T T < TS+ 0 0 -85.4 -6.7 178.6 78.8 92.7 60.7 162 -1.5 0 0.0 0 0.0 0 0.0 6 31
166 A 166 ASP D t X T - 0 0 -106.2 105.1 -179.7 -169.1 61.5 152.1 163 -1.6 169 -1.4 0 0.0 0 0.0 7 34
167 A 167 PRO P T T 3 TS+ 0 0 -65.8 -18.8 179.9 67.4 82.6 47.0 0 0.0 0 0.0 0 0.0 0 0.0 6 24
168 A 168 SER S T T 3 TS+ 0 0 -74.2 -21.1 -179.7 78.2 87.1 49.3 0 0.0 170 -0.5 0 0.0 0 0.0 5 31
169 A 169 MET M S t < TS- 0 0 -94.6 123.0 -178.7 -141.8 77.6 147.5 166 -1.4 171 -1.8 0 0.0 0 0.0 10 42
170 A 170 ASN N e - 0 0 -82.7 60.4 179.9 -175.6 26.9 112.7 168 -0.5 144 -2.8 0 0.0 0 0.0 10 42
171 A 171 LEU L E E Ag + 144 0 -61.5 117.2 179.9 164.0 14.2 114.1 169 -1.8 0 0.0 0 0.0 0 0.0 11 50
172 A 172 GLN Q E E A* - 0 0 -109.2 -26.0 -179.7 -37.0 54.6 49.7 144 -3.4 363 -2.0 0 0.0 0 0.0 10 50
173 A 173 GLY G E E Agh - 145 363 -179.8 179.8 179.9 -125.4 43.8 173.7 144 -1.2 146 -2.1 0 0.0 0 0.0 10 61
174 A 174 LEU L E E Agh - 146 364 -149.4 147.7 -179.7 -168.9 10.4 173.8 363 -2.6 365 -2.0 0 0.0 0 0.0 14 71
175 A 175 ALA A E E Agh - 147 365 -140.8 132.8 -178.6 -169.4 4.9 178.0 146 -1.6 148 -1.4 0 0.0 0 0.0 12 79
176 A 176 VAL V E E Agh - 148 366 -127.6 126.3 179.9 -147.6 11.4 172.5 365 -1.9 367 -2.6 0 0.0 178 -0.5 15 73
177 A 177 GLY G E E Agh S- 149 367 -97.1 128.1 -178.6 -23.9 77.3 144.6 148 -2.5 150 -2.3 0 0.0 0 0.0 15 82
178 A 178 ASN N S e S- 0 0 38.8 55.6 -177.8 -176.3 94.6 23.8 367 -3.2 0 0.0 176 -0.5 0 0.0 17 78
179 A 179 GLY G - 0 0 -88.2 154.6 178.5 -118.5 37.4 120.9 0 0.0 181 -1.5 0 0.0 0 0.0 15 77
180 A 180 LEU L + 0 0 -87.2 79.2 -179.7 154.3 50.1 131.5 150 -2.2 0 0.0 0 0.0 0 0.0 13 71
181 A 181 SER S S S S+ 0 0 -77.8 -34.0 -179.8 8.9 70.5 36.3 179 -1.5 349 -2.4 0 0.0 0 0.0 12 68
182 A 182 SER S B h > D T - 348 0 -152.8 120.6 179.3 -154.5 57.1 156.9 0 0.0 186 -1.9 0 0.0 0 0.0 13 61
183 A 183 TYR Y H H > TS+ 0 0 -62.7 -36.2 -179.4 51.1 98.9 32.3 347 -1.1 187 -2.7 0 0.0 0 0.0 13 52
184 A 184 GLU E H H > TS+ 0 0 -68.1 -51.5 179.5 42.7 112.1 20.5 0 0.0 188 -2.2 0 0.0 0 0.0 7 49
185 A 185 GLN Q H H > TS+ 0 0 -65.1 -29.0 178.5 49.2 118.1 34.7 0 0.0 189 -1.8 0 0.0 0 0.0 11 50
186 A 186 ASN N H H X TS+ 0 0 -75.3 -49.8 -179.6 44.9 112.2 20.8 182 -1.9 190 -1.7 0 0.0 0 0.0 16 64
187 A 187 ASP D H H X TS+ 0 0 -62.3 -42.8 179.0 45.2 117.7 28.4 183 -2.7 191 -1.0 0 0.0 0 0.0 13 60
188 A 188 ASN N H H X > TS+ 0 0 -66.2 -53.5 179.9 48.3 112.3 21.9 184 -2.2 192 -1.4 0 0.0 191 -0.5 13 56
189 A 189 SER S H H X 3 TS+ 0 0 -57.7 -31.8 179.5 60.4 107.1 35.1 185 -1.8 193 -2.6 0 0.0 0 0.0 11 58
190 A 190 LEU L H H X 3 TS+ 0 0 -64.5 -42.2 179.4 52.7 99.4 34.4 186 -1.7 194 -2.7 0 0.0 0 0.0 12 67
191 A 191 VAL V H H X < TS+ 0 0 -62.0 -43.2 176.4 43.7 114.5 20.4 187 -1.0 195 -1.6 188 -0.5 0 0.0 10 65
192 A 192 TYR Y H H X TS+ 0 0 -62.6 -48.8 178.9 54.8 110.9 25.5 188 -1.4 196 -2.3 0 0.0 0 0.0 8 54
193 A 193 PHE F H H X TS+ 0 0 -49.2 -50.2 -178.9 53.2 106.9 19.7 189 -2.6 197 -1.0 0 0.0 0 0.0 11 53
194 A 194 ALA A H H < >TS+ 0 0 -58.0 -44.5 179.2 45.0 109.5 31.8 190 -2.7 199 -2.9 0 0.0 200 -0.8 12 54
195 A 195 TYR Y H H < >5TS+ 0 0 -66.5 -48.4 -177.5 46.0 115.9 17.4 191 -1.6 198 -1.5 0 0.0 0 0.0 12 37
196 A 196 TYR Y H H < 35TS+ 0 0 -72.4 -9.8 177.6 54.4 109.3 56.7 192 -2.3 0 0.0 0 0.0 0 0.0 7 32
197 A 197 HIS H T h < 35TS- 0 0 -106.8 15.2 175.9 -106.2 122.9 84.4 193 -1.0 0 0.0 0 0.0 0 0.0 6 36
198 A 198 GLY G T T <5TS+ 0 0 71.6 27.6 -177.6 116.5 86.5 52.8 195 -1.5 0 0.0 0 0.0 0 0.0 7 28
199 A 199 LEU L S t T - 0 0 98.4 157.5 -177.4 -78.1 37.5 94.6 0 0.0 205 -2.3 0 0.0 0 0.0 8 24
202 A 202 ASN N H H > TS+ 0 0 -68.4 -30.0 179.6 58.1 122.7 36.8 0 0.0 206 -2.6 0 0.0 0 0.0 7 23
203 A 203 ARG R H H > TS+ 0 0 -64.4 -50.3 -180.0 38.0 113.6 12.5 0 0.0 207 -2.4 0 0.0 0 0.0 7 26
204 A 204 LEU L H H > TS+ 0 0 -64.9 -47.6 178.6 49.9 118.3 19.6 0 0.0 208 -2.7 0 0.0 0 0.0 9 36
205 A 205 TRP W H H X TS+ 0 0 -56.1 -42.3 -179.4 52.7 109.9 28.4 201 -2.3 209 -2.6 0 0.0 0 0.0 10 43
206 A 206 SER S H H X TS+ 0 0 -61.0 -51.3 176.5 44.7 110.8 18.2 202 -2.6 210 -2.0 0 0.0 0 0.0 8 34
207 A 207 SER S H H X TS+ 0 0 -59.7 -40.5 179.8 53.7 112.5 28.0 203 -2.4 211 -3.2 0 0.0 0 0.0 10 32
208 A 208 LEU L H H X TS+ 0 0 -60.1 -47.7 179.3 45.7 110.2 18.5 204 -2.7 212 -2.5 0 0.0 0 0.0 12 48
209 A 209 GLN Q H H X TS+ 0 0 -62.3 -34.6 -178.9 48.5 116.1 31.2 205 -2.6 213 -0.7 0 0.0 0 0.0 10 39
210 A 210 THR T H H < TS+ 0 0 -72.6 -45.7 -176.9 29.8 122.1 26.0 206 -2.0 0 0.0 0 0.0 0 0.0 9 29
211 A 211 HIS H H H < TS+ 0 0 -95.5 -11.9 -177.5 31.8 129.5 52.1 207 -3.2 0 0.0 0 0.0 0 0.0 9 35
212 A 212 CYS C H H < TS+ 0 0 -122.7 -5.0 -176.6 65.9 108.6 64.8 208 -2.5 219 -2.6 0 0.0 0 0.0 12 42
213 A 213 CYS C E E TS- 217 0 -160.7 114.0 -175.1 -4.7 75.5 142.0 217 -2.3 217 -0.5 0 0.0 0 0.0 8 20
215 A 215 GLN Q T T 3 TS- 0 0 86.5 -160.7 177.7 -47.8 126.7 124.9 0 0.0 0 0.0 0 0.0 0 0.0 5 13
216 A 216 ASN N T T 3 TS+ 0 0 -87.2 20.6 179.9 108.3 118.4 80.8 0 0.0 218 -0.5 0 0.0 0 0.0 5 17
217 A 217 LYS K E E CI < T - 214 0 -106.7 125.9 178.3 -171.4 49.7 150.4 214 -0.5 214 -2.3 0 0.0 0 0.0 6 25
218 A 218 CYS C E E CI - 213 0 -112.5 141.2 177.3 -156.0 13.2 154.2 216 -0.5 220 -0.6 0 0.0 0 0.0 10 38
219 A 219 ASN N e + 0 0 -118.2 98.4 179.4 149.7 32.1 154.6 212 -2.6 0 0.0 0 0.0 0 0.0 9 45
220 A 220 PHE F + 0 0 -107.3 8.7 -177.8 68.7 66.3 80.1 218 -0.6 0 0.0 0 0.0 0 0.0 11 56
221 A 221 TYR Y S S S- 0 0 -94.5 -59.5 179.5 -4.5 119.0 25.5 0 0.0 0 0.0 0 0.0 0 0.0 12 46
222 A 222 ASP D S S S+ 0 0 -133.0 35.8 179.8 150.5 81.9 94.3 0 0.0 0 0.0 0 0.0 0 0.0 9 41
223 A 223 ASN N - 0 0 -72.9 136.0 -179.1 -174.4 23.7 121.0 0 0.0 0 0.0 0 0.0 0 0.0 10 39
224 A 224 LYS K + 0 0 -105.8 -12.5 -179.9 129.3 39.5 61.6 0 0.0 0 0.0 0 0.0 0 0.0 8 28
225 A 225 ASP D h > T - 0 0 -49.5 126.5 -179.5 -128.9 62.0 104.5 0 0.0 229 -2.4 0 0.0 0 0.0 8 27
226 A 226 LEU L H H > TS+ 0 0 -47.0 -59.9 -179.2 33.8 99.7 29.3 0 0.0 230 -1.6 0 0.0 0 0.0 6 26
227 A 227 GLU E H H > TS+ 0 0 -74.2 -23.6 178.0 60.1 114.9 39.3 0 0.0 231 -1.4 0 0.0 0 0.0 7 31
228 A 228 CYS C H H > TS+ 0 0 -64.7 -46.4 -179.8 45.3 107.2 20.2 0 0.0 232 -2.1 0 0.0 0 0.0 14 39
229 A 229 VAL V H H X TS+ 0 0 -64.3 -38.0 179.1 57.7 108.0 29.8 225 -2.4 233 -2.4 0 0.0 0 0.0 13 40
230 A 230 THR T H H X TS+ 0 0 -62.1 -30.9 178.4 44.0 111.1 32.7 226 -1.6 234 -0.6 0 0.0 0 0.0 8 37
231 A 231 ASN N H H X TS+ 0 0 -80.8 -40.3 178.7 51.6 110.6 33.7 227 -1.4 235 -2.0 0 0.0 0 0.0 11 48
232 A 232 LEU L H H X TS+ 0 0 -66.1 -32.2 176.7 60.1 104.5 32.3 228 -2.1 236 -2.4 0 0.0 0 0.0 10 57
233 A 233 GLN Q H H X TS+ 0 0 -61.7 -37.0 179.9 45.0 107.0 32.2 229 -2.4 237 -1.7 0 0.0 0 0.0 10 48
234 A 234 GLU E H H X TS+ 0 0 -74.1 -41.6 177.6 53.4 110.5 27.0 230 -0.6 238 -3.0 0 0.0 0 0.0 8 47
235 A 235 VAL V H H X TS+ 0 0 -56.4 -40.7 180.0 49.6 109.7 27.9 231 -2.0 239 -2.4 0 0.0 0 0.0 11 62
236 A 236 ALA A H H X TS+ 0 0 -65.9 -41.3 178.1 48.1 112.1 25.9 232 -2.4 240 -2.1 0 0.0 0 0.0 10 58
237 A 237 ARG R H H X TS+ 0 0 -64.4 -45.9 -179.4 45.4 114.2 23.6 233 -1.7 241 -2.2 0 0.0 0 0.0 11 43
238 A 238 ILE I H H < TS+ 0 0 -65.9 -43.5 -178.9 46.0 115.4 27.3 234 -3.0 0 0.0 0 0.0 0 0.0 11 46
239 A 239 VAL V H H < TS+ 0 0 -70.3 -42.1 -178.3 6.5 134.5 23.4 235 -2.4 0 0.0 0 0.0 0 0.0 13 62
240 A 240 GLY G H H < TS+ 0 0 -126.6 0.5 -179.4 47.7 126.5 61.2 236 -2.1 0 0.0 0 0.0 0 0.0 11 61
241 A 241 ASN N S h < TS+ 0 0 -125.4 19.4 -176.9 69.1 95.4 80.5 237 -2.2 0 0.0 0 0.0 0 0.0 12 48
242 A 242 SER S S S S- 0 0 -118.7 -1.7 -179.6 -86.3 113.9 60.4 0 0.0 0 0.0 0 0.0 0 0.0 10 36
243 A 243 GLY G S S S+ 0 0 113.5 -3.7 178.1 127.0 85.1 66.7 0 0.0 0 0.0 0 0.0 0 0.0 10 37
244 A 244 LEU L - 0 0 -82.2 153.9 178.6 -114.5 65.5 123.6 0 0.0 246 -0.9 0 0.0 0 0.0 12 45
245 A 245 ASN N t > T - 0 0 -93.8 104.9 -179.5 -163.5 20.8 143.4 0 0.0 248 -1.6 0 0.0 0 0.0 14 55
246 A 246 ILE I T T 3 TS+ 0 0 -60.5 -17.1 179.3 54.2 89.8 45.9 244 -0.9 373 -3.1 0 0.0 374 -1.2 12 66
247 A 247 TYR Y T T 3 TS+ 0 0 -91.0 -16.6 -178.1 12.0 127.2 51.2 0 0.0 429 -2.6 0 0.0 0 0.0 13 66
248 A 248 ASN N t X T - 0 0 -164.3 99.1 -177.6 -160.3 64.0 132.0 245 -1.6 251 -1.8 0 0.0 0 0.0 12 51
249 A 249 LEU L T T 3 TS+ 0 0 -51.4 -39.0 -177.0 50.4 93.1 31.8 371 -2.9 0 0.0 0 0.0 0 0.0 11 48
250 A 250 TYR Y T T 3 TS+ 0 0 -92.4 22.7 179.0 81.3 96.9 87.5 0 0.0 0 0.0 0 0.0 0 0.0 6 37
251 A 251 ALA A S t < TS- 0 0 -125.2 159.0 179.2 -99.5 84.3 145.7 248 -1.8 0 0.0 0 0.0 0 0.0 6 36
252 A 252 PRO P - 0 0 -71.0 161.8 178.8 -114.3 37.5 111.2 0 0.0 254 -0.7 0 0.0 0 0.0 7 30
253 A 253 CYS C t > T - 0 0 -103.1 117.4 178.5 -125.4 25.2 155.0 0 0.0 256 -1.2 0 0.0 255 -0.5 10 38
254 A 254 ALA A T T 3 TS- 0 0 -61.7 112.5 -178.9 -2.6 96.4 118.9 303 -1.3 0 0.0 252 -0.7 0 0.0 7 36
255 A 255 GLY G T T 3 TS- 0 0 65.9 55.4 -178.0 -149.6 97.2 15.6 253 -0.5 0 0.0 0 0.0 0 0.0 7 35
256 A 256 GLY G t < T - 0 0 -68.1 127.8 178.4 -178.5 19.8 111.9 253 -1.2 0 0.0 0 0.0 0 0.0 9 38
257 A 257 VAL V - 0 0 -102.2 -166.4 178.5 -138.0 33.5 90.5 0 0.0 0 0.0 0 0.0 0 0.0 10 33
258 A 258 PRO P S S S+ 0 0 -150.1 37.5 -177.6 70.0 83.3 111.4 0 0.0 0 0.0 0 0.0 0 0.0 7 30
259 A 259 SER S S S S- 0 0 -153.1 179.4 179.6 -104.9 90.7 155.2 0 0.0 0 0.0 0 0.0 0 0.0 9 36
260 A 260 HIS H S e S+ 0 0 -93.3 1.7 178.6 15.1 103.2 70.7 0 0.0 271 -0.5 0 0.0 0 0.0 12 46
261 A 261 PHE F E E DJ - 270 0 -159.5 174.3 177.4 -159.2 64.6 160.0 0 0.0 0 0.0 0 0.0 0 0.0 9 49
262 A 262 ARG R E E DJ - 269 0 -160.5 157.7 179.5 -120.1 18.4 166.3 269 -1.4 269 -3.4 0 0.0 0 0.0 9 38
263 A 263 TYR Y E E DJ - 268 0 -104.7 147.8 179.3 -165.5 11.9 143.8 0 0.0 0 0.0 0 0.0 0 0.0 8 27
264 A 264 GLU E E E DJ > TS- 267 0 -135.3 91.1 -175.2 -53.7 74.9 146.4 267 -2.2 267 -1.0 0 0.0 266 -0.9 7 28
265 A 265 LYS K T T 3 TS- 0 0 72.0 -102.5 -179.8 -23.8 124.4 133.2 0 0.0 0 0.0 0 0.0 0 0.0 4 15
266 A 266 ASP D T e 3 TS+ 0 0 -128.2 28.9 178.0 101.0 116.0 91.0 264 -0.9 296 -0.8 0 0.0 0 0.0 7 17
267 A 267 THR T E E DJk< T - 264 296 -113.2 134.2 177.0 -132.4 68.3 158.5 264 -1.0 264 -2.2 0 0.0 269 -0.6 10 26
268 A 268 VAL V E E DJk - 263 297 -85.9 124.2 179.4 -155.1 22.6 144.5 296 -3.1 298 -2.6 0 0.0 270 -0.6 12 38
269 A 269 VAL V E E DJk - 262 298 -105.5 118.1 179.5 -168.5 8.8 158.3 262 -3.4 262 -1.4 267 -0.6 0 0.0 12 48
270 A 270 VAL V E E DJk + 261 299 -104.2 138.5 -177.0 178.7 10.0 151.6 298 -2.3 300 -1.8 268 -0.6 0 0.0 11 57
271 A 271 GLN Q e + 0 0 -131.1 22.1 179.4 105.3 45.4 77.9 260 -0.5 273 -0.7 0 0.0 0 0.0 11 62
272 A 272 ASP D - 0 0 -105.3 110.7 -178.0 -167.2 47.2 154.5 0 0.0 0 0.0 0 0.0 0 0.0 9 65
273 A 273 LEU L - 0 0 -83.6 9.5 177.9 -119.7 39.8 73.3 271 -0.7 0 0.0 0 0.0 0 0.0 8 63
274 A 274 GLY G S S S+ 0 0 61.0 32.7 -178.3 111.0 80.8 48.9 0 0.0 0 0.0 0 0.0 0 0.0 6 60
275 A 275 ASN N + 0 0 -109.7 -5.1 -175.0 77.5 58.3 58.0 0 0.0 0 0.0 0 0.0 0 0.0 7 67
276 A 276 ILE I S S S- 0 0 -115.4 134.8 179.1 -4.2 105.2 151.6 0 0.0 0 0.0 0 0.0 0 0.0 8 67
277 A 277 PHE F S t > TS+ 0 0 58.7 32.9 -178.6 149.1 78.5 39.9 0 0.0 280 -1.2 0 0.0 0 0.0 11 55
278 A 278 THR T T T 3 T + 0 0 -64.7 -31.9 -178.5 50.3 67.7 35.3 0 0.0 0 0.0 0 0.0 0 0.0 7 48
279 A 279 ARG R T T 3 TS+ 0 0 -88.5 1.3 -179.4 97.8 89.9 66.4 0 0.0 0 0.0 0 0.0 0 0.0 6 36
280 A 280 LEU L S t < TS- 0 0 -94.3 137.9 179.6 -125.0 80.8 137.8 277 -1.2 282 -2.6 0 0.0 0 0.0 11 41
281 A 281 PRO P + 0 0 -75.9 57.2 -179.4 156.8 58.0 105.5 0 0.0 0 0.0 0 0.0 0 0.0 7 31
282 A 282 LEU L - 0 0 -80.6 164.8 176.9 -109.3 48.9 102.0 280 -2.6 0 0.0 0 0.0 0 0.0 7 37
283 A 283 LYS K + 0 0 -92.9 133.8 -177.8 175.5 47.4 150.5 0 0.0 0 0.0 0 0.0 0 0.0 5 33
284 A 284 ARG R - 0 0 -137.8 165.1 179.6 -84.2 35.7 150.2 0 0.0 0 0.0 0 0.0 0 0.0 4 34
285 A 285 MET M - 0 0 -66.3 146.8 178.8 -108.0 48.1 114.8 0 0.0 287 -2.3 0 0.0 0 0.0 5 32
286 A 286 TRP W g > > T + 0 0 -78.3 72.3 179.9 166.6 47.9 116.2 0 0.0 289 -1.9 0 0.0 290 -0.7 6 28
287 A 287 HIS H G G 4 > TS+ 0 0 -55.6 -28.8 -179.6 66.9 71.5 31.8 285 -2.3 290 -0.9 0 0.0 0 0.0 6 37
288 A 288 GLN Q G G 4 3 TS+ 0 0 -67.5 -19.5 179.4 50.5 96.2 49.5 0 0.0 0 0.0 0 0.0 0 0.0 7 30
289 A 289 ALA A G h > < TS+ 0 0 -93.3 -11.5 -178.7 86.5 88.9 53.4 286 -1.9 293 -1.7 0 0.0 0 0.0 7 21
290 A 290 LEU L H H X <>TS+ 0 0 -56.8 -41.9 -179.7 48.4 87.3 32.4 287 -0.9 295 -0.6 286 -0.7 294 -0.6 10 33
291 A 291 LEU L H H 4 >5TS+ 0 0 -72.4 -30.4 179.2 51.5 110.3 30.4 0 0.0 294 -0.5 0 0.0 0 0.0 8 25
292 A 292 ARG R H H 4 35TS+ 0 0 -74.2 -31.2 -179.1 68.0 97.4 33.9 0 0.0 0 0.0 0 0.0 0 0.0 6 15
293 A 293 SER S H H < 35TS- 0 0 -59.9 -29.0 -179.3 -136.9 96.5 40.5 289 -1.7 0 0.0 0 0.0 0 0.0 6 17
294 A 294 GLY G T h < <5T + 0 0 81.7 7.8 179.0 134.4 57.6 53.4 290 -0.6 0 0.0 291 -0.5 0 0.0 6 17
295 A 295 ASP D t T - 0 0 -67.3 152.7 -179.8 -80.2 62.8 116.5 0 0.0 304 -1.6 0 0.0 0 0.0 11 70
302 A 302 PRO P T T 3 TS- 0 0 -60.2 128.3 179.0 -3.2 110.2 113.7 0 0.0 0 0.0 0 0.0 0 0.0 9 65
303 A 303 CYS C T T 3 TS+ 0 0 62.6 27.1 -177.8 132.3 103.5 46.1 0 0.0 254 -1.3 0 0.0 0 0.0 12 48
304 A 304 THR T t < T - 0 0 -117.0 130.1 178.8 -148.1 52.3 157.9 301 -1.6 306 -0.9 0 0.0 0 0.0 9 55
305 A 305 ASN N - 0 0 -96.4 103.1 -178.5 -178.1 15.2 146.1 0 0.0 0 0.0 0 0.0 0 0.0 8 46
306 A 306 THR T h > T + 0 0 -81.4 -2.0 -178.3 101.3 53.6 61.6 304 -0.9 310 -2.8 0 0.0 0 0.0 9 50
307 A 307 THR T H H > TS+ 0 0 -50.8 -59.9 179.3 50.3 75.3 27.8 0 0.0 311 -3.1 0 0.0 0 0.0 8 41
308 A 308 ALA A H H > TS+ 0 0 -45.5 -60.3 180.0 39.1 118.7 16.7 0 0.0 312 -1.8 0 0.0 0 0.0 13 38
309 A 309 ALA A H H > TS+ 0 0 -58.8 -46.0 -179.9 46.9 118.1 27.5 0 0.0 313 -2.6 0 0.0 0 0.0 13 49
310 A 310 SER S H H X TS+ 0 0 -66.7 -36.1 -179.7 53.0 111.1 29.3 306 -2.8 314 -1.7 0 0.0 0 0.0 12 48
311 A 311 THR T H H < TS+ 0 0 -68.1 -32.8 179.7 45.0 113.1 31.0 307 -3.1 0 0.0 0 0.0 0 0.0 10 35
312 A 312 TYR Y H H < > TS+ 0 0 -73.1 -56.1 -177.7 44.5 114.7 13.4 308 -1.8 315 -1.5 0 0.0 0 0.0 11 45
313 A 313 LEU L H H < 3 TS+ 0 0 -62.0 -29.6 -179.9 57.5 108.1 44.0 309 -2.6 0 0.0 0 0.0 0 0.0 9 59
314 A 314 ASN N T h < 3 TS+ 0 0 -85.6 4.5 179.8 115.0 77.1 69.9 310 -1.7 0 0.0 0 0.0 0 0.0 10 44
315 A 315 ASN N S h > X TS- 0 0 -80.8 121.0 179.7 -133.9 70.8 134.2 312 -1.5 319 -2.7 0 0.0 318 -1.8 8 38
316 A 316 PRO P H H > 3 TS+ 0 0 -41.1 -45.0 179.6 52.1 106.0 34.2 0 0.0 320 -2.9 0 0.0 0 0.0 6 29
317 A 317 TYR Y H H > 3 TS+ 0 0 -68.4 -31.2 178.4 47.4 109.6 36.8 0 0.0 321 -2.5 0 0.0 0 0.0 7 29
318 A 318 VAL V H H > < TS+ 0 0 -75.0 -43.0 178.2 49.2 112.6 23.1 315 -1.8 322 -2.8 0 0.0 0 0.0 12 46
319 A 319 ARG R H H < >TS+ 0 0 -59.7 -40.9 178.8 48.5 113.3 22.2 315 -2.7 324 -2.6 0 0.0 0 0.0 13 44
320 A 320 LYS K H H < >5TS+ 0 0 -60.2 -57.3 -179.6 47.6 112.6 13.7 316 -2.9 323 -2.1 0 0.0 0 0.0 9 35
321 A 321 ALA A H H < 35TS+ 0 0 -51.8 -40.2 -179.0 51.2 110.5 35.3 317 -2.5 0 0.0 0 0.0 0 0.0 12 39
322 A 322 LEU L T h < 35TS- 0 0 -84.5 7.3 178.1 -114.1 116.1 75.2 318 -2.8 0 0.0 0 0.0 0 0.0 12 53
323 A 323 ASN N T T <5T + 0 0 61.4 49.8 -178.0 169.9 54.3 27.8 320 -2.1 0 0.0 0 0.0 0 0.0 10 43
324 A 324 ILE I t T - 0 0 -49.6 122.5 -178.9 -135.7 24.1 104.2 0 0.0 328 -1.6 0 0.0 0 0.0 6 36
326 A 326 GLU E T T 3 TS+ 0 0 -54.4 -29.4 -179.4 65.1 100.2 42.9 0 0.0 0 0.0 0 0.0 0 0.0 7 25
327 A 327 GLN Q T T 3 TS+ 0 0 -66.8 -30.8 -179.8 104.2 76.4 38.2 0 0.0 0 0.0 0 0.0 0 0.0 4 25
328 A 328 LEU L S t < TS- 0 0 -53.1 140.2 180.0 -115.5 77.5 102.7 325 -1.6 0 0.0 0 0.0 0 0.0 8 36
329 A 329 PRO P - 0 0 -73.0 172.3 -178.3 -60.9 49.5 102.8 0 0.0 0 0.0 0 0.0 0 0.0 6 36
330 A 330 GLN Q - 0 0 -58.5 148.4 -179.9 -108.4 55.0 98.3 0 0.0 0 0.0 0 0.0 0 0.0 7 43
331 A 331 TRP W + 0 0 -78.8 136.8 176.1 176.6 35.9 121.0 0 0.0 0 0.0 0 0.0 0 0.0 9 56
332 A 332 ASP D - 0 0 -134.8 149.8 179.5 -123.1 37.7 160.5 0 0.0 0 0.0 0 0.0 0 0.0 11 59
333 A 333 MET M S S S+ 0 0 -65.2 -34.0 178.9 22.6 98.4 29.9 0 0.0 61 -3.8 0 0.0 0 0.0 15 63
334 A 334 CYS C B B BE S- 60 299 -133.0 145.0 175.9 -133.2 76.0 166.4 299 -0.6 336 -0.7 0 0.0 299 -0.5 15 62
335 A 335 ASN N h > T - 0 0 -100.4 114.7 179.9 -159.5 10.7 152.3 59 -3.6 339 -2.2 0 0.0 0 0.0 14 60
336 A 336 PHE F H H > TS+ 0 0 -53.0 -57.8 180.0 48.5 91.2 17.0 334 -0.7 340 -3.2 0 0.0 0 0.0 10 57
337 A 337 LEU L H H > TS+ 0 0 -53.4 -41.8 178.6 51.5 110.0 30.7 0 0.0 341 -2.3 0 0.0 0 0.0 8 53
338 A 338 VAL V H H > TS+ 0 0 -60.9 -48.6 179.8 42.5 115.2 20.6 0 0.0 342 -0.5 0 0.0 0 0.0 14 56
339 A 339 ASN N H H < > TS+ 0 0 -61.6 -50.6 178.9 50.5 114.7 19.4 335 -2.2 342 -1.0 0 0.0 0 0.0 13 57
340 A 340 LEU L H H < 3 TS+ 0 0 -56.5 -42.2 -177.7 39.1 117.3 33.2 336 -3.2 0 0.0 0 0.0 0 0.0 8 47
341 A 341 GLN Q H H < 3 TS+ 0 0 -93.1 0.3 -179.4 120.7 89.4 65.0 337 -2.3 0 0.0 0 0.0 0 0.0 9 39
342 A 342 TYR Y h < < T - 0 0 -67.0 143.9 177.9 -147.6 52.2 112.5 339 -1.0 344 -0.6 338 -0.5 0 0.0 10 44
343 A 343 ARG R B B c - 117 0 -118.7 109.3 177.3 -155.0 3.2 160.1 116 -2.0 118 -1.3 0 0.0 0 0.0 8 34
344 A 344 ARG R + 0 0 -76.5 135.9 -177.2 168.5 20.6 131.3 342 -0.6 0 0.0 0 0.0 0 0.0 6 43
345 A 345 LEU L + 0 0 -120.9 -39.7 -179.5 75.8 46.8 46.3 0 0.0 0 0.0 0 0.0 0 0.0 7 37
346 A 346 TYR Y - 0 0 -80.1 148.6 -179.5 -155.9 57.7 124.2 0 0.0 0 0.0 0 0.0 0 0.0 6 39
347 A 347 ARG R S S S- 0 0 -90.5 -31.9 -178.0 -13.6 76.0 37.1 0 0.0 183 -1.1 0 0.0 0 0.0 6 37
348 A 348 SER S B B D - 182 0 -164.0 162.5 -179.4 -117.4 59.0 163.9 0 0.0 0 0.0 0 0.0 0 0.0 9 47
349 A 349 MET M S h > TS+ 0 0 -92.9 10.5 -178.7 110.7 78.8 76.5 181 -2.4 353 -2.6 0 0.0 0 0.0 12 55
350 A 350 ASN N H H > TS+ 0 0 -53.0 -52.5 -178.9 45.8 77.7 21.1 0 0.0 354 -2.8 0 0.0 0 0.0 10 44
351 A 351 SER S H H > TS+ 0 0 -61.2 -40.3 179.5 49.9 113.1 26.6 0 0.0 355 -2.8 0 0.0 0 0.0 7 33
352 A 352 GLN Q H H > TS+ 0 0 -63.6 -46.6 179.7 44.7 113.7 21.6 0 0.0 356 -2.4 0 0.0 0 0.0 10 53
353 A 353 TYR Y H H X TS+ 0 0 -68.1 -35.4 178.4 51.1 113.4 29.5 349 -2.6 357 -2.3 0 0.0 0 0.0 10 59
354 A 354 LEU L H H X TS+ 0 0 -66.8 -39.2 178.7 48.9 111.0 20.8 350 -2.8 358 -1.9 0 0.0 0 0.0 9 43
355 A 355 LYS K H H X TS+ 0 0 -65.1 -41.0 179.0 44.9 114.4 28.5 351 -2.8 359 -0.6 0 0.0 0 0.0 9 36
356 A 356 LEU L H H X TS+ 0 0 -73.1 -33.4 -178.8 50.5 113.4 33.2 352 -2.4 360 -0.6 0 0.0 362 -0.5 12 47
357 A 357 LEU L H H < > TS+ 0 0 -75.6 -27.5 -178.9 67.7 97.9 35.3 353 -2.3 360 -0.6 0 0.0 0 0.0 11 45
358 A 358 SER S H H < 3 TS+ 0 0 -61.3 -33.3 179.4 53.4 97.3 38.4 354 -1.9 0 0.0 0 0.0 0 0.0 6 28
359 A 359 SER S H H < 3 TS- 0 0 -72.5 -30.9 180.0 -153.1 89.9 39.5 355 -0.6 0 0.0 0 0.0 0 0.0 7 31
360 A 360 GLN Q h < < T + 0 0 58.3 31.4 179.4 105.2 67.7 36.8 357 -0.6 0 0.0 356 -0.6 0 0.0 7 30
361 A 361 LYS K + 0 0 -109.8 -20.5 -177.0 83.3 60.6 55.2 0 0.0 0 0.0 0 0.0 0 0.0 7 35
362 A 362 TYR Y - 0 0 -100.6 145.0 178.2 -140.9 65.8 132.9 356 -0.5 364 -0.6 0 0.0 0 0.0 12 48
363 A 363 GLN Q E E Ah - 173 0 -95.8 117.3 -178.8 -172.3 30.2 153.0 172 -2.0 174 -2.6 0 0.0 0 0.0 10 57
364 A 364 ILE I E E Ahl + 174 419 -122.6 138.7 179.9 175.3 13.0 163.7 418 -1.5 420 -1.3 362 -0.6 0 0.0 10 75
365 A 365 LEU L E E Ahl - 175 420 -140.1 130.9 175.6 -168.9 12.2 178.7 174 -2.0 176 -1.9 0 0.0 0 0.0 12 76
366 A 366 LEU L E E Ahl - 176 421 -115.8 123.3 -178.6 -176.2 19.7 173.4 420 -2.3 422 -2.3 0 0.0 0 0.0 14 77
367 A 367 TYR Y E E Ahl - 177 422 -128.0 137.6 -177.6 -172.0 5.5 168.9 176 -2.6 178 -3.2 0 0.0 0 0.0 13 78
368 A 368 ASN N E E A l - 0 423 -132.4 135.7 175.2 -130.6 25.8 173.3 422 -2.5 424 -2.1 0 0.0 0 0.0 18 73
369 A 369 GLY G E E A l> T - 0 424 -77.5 127.0 -176.4 -137.6 28.8 136.3 0 0.0 372 -1.1 0 0.0 0 0.0 18 65
370 A 370 ASP D T e 3 TS+ 0 0 -74.3 6.4 179.3 55.2 92.5 71.0 424 -2.3 0 0.0 0 0.0 0 0.0 12 59
371 A 371 VAL V T T 3 TS+ 0 0 -120.0 11.8 177.9 109.9 81.8 80.3 427 -2.4 249 -2.9 0 0.0 0 0.0 14 57
372 A 372 ASP D t < T - 0 0 -86.2 147.2 178.2 -174.5 43.5 130.4 369 -1.1 0 0.0 0 0.0 0 0.0 15 64
373 A 373 MET M S S S+ 0 0 -118.4 -11.4 179.3 70.0 75.2 61.8 246 -3.1 0 0.0 0 0.0 0 0.0 14 74
374 A 374 ALA A S S S+ 0 0 -74.9 -38.7 177.3 2.8 128.0 27.7 246 -1.2 0 0.0 0 0.0 0 0.0 8 74
375 A 375 CYS C S S S- 0 0 -143.9 60.8 -178.4 -159.7 93.4 117.0 0 0.0 0 0.0 0 0.0 0 0.0 14 74
376 A 376 ASN N h > T - 0 0 -45.8 148.4 -178.8 -115.3 26.1 86.3 0 0.0 380 -1.1 0 0.0 0 0.0 17 67
377 A 377 PHE F H H > TS+ 0 0 -58.3 -28.3 -176.3 61.4 109.7 43.7 0 0.0 381 -1.6 0 0.0 0 0.0 13 64
378 A 378 MET M H H > TS+ 0 0 -68.7 -48.6 177.1 51.2 100.0 21.4 0 0.0 382 -3.0 0 0.0 0 0.0 10 55
379 A 379 GLY G H H > TS+ 0 0 -55.2 -37.7 178.7 44.4 115.8 31.1 0 0.0 383 -1.9 0 0.0 0 0.0 15 58
380 A 380 ASP D H H X TS+ 0 0 -81.2 -24.3 177.9 52.1 111.1 39.3 376 -1.1 384 -2.1 0 0.0 0 0.0 19 65
381 A 381 GLU E H H X TS+ 0 0 -76.7 -34.5 178.4 48.8 110.5 28.4 377 -1.6 385 -1.6 0 0.0 0 0.0 9 63
382 A 382 TRP W H H X TS+ 0 0 -63.6 -49.4 -179.7 54.8 109.1 18.1 378 -3.0 386 -2.6 0 0.0 0 0.0 9 47
383 A 383 PHE F H H X TS+ 0 0 -47.9 -56.8 -178.0 46.4 108.5 19.2 379 -1.9 387 -0.6 0 0.0 0 0.0 12 53
384 A 384 VAL V H H < > TS+ 0 0 -60.3 -32.9 179.4 51.1 111.9 36.7 380 -2.1 387 -0.5 0 0.0 0 0.0 9 63
385 A 385 ASP D H H < > TS+ 0 0 -73.0 -34.4 179.6 60.5 102.8 28.4 381 -1.6 388 -1.8 0 0.0 0 0.0 8 44
386 A 386 SER S H H < 3 TS+ 0 0 -68.9 -11.3 178.4 74.8 86.0 55.0 382 -2.6 0 0.0 0 0.0 0 0.0 6 35
387 A 387 LEU L T h < < TS- 0 0 -74.3 -13.0 179.0 -145.7 94.3 47.3 383 -0.6 0 0.0 384 -0.5 0 0.0 9 40
388 A 388 ASN N t < T + 0 0 49.8 55.8 -179.1 163.8 35.9 24.9 385 -1.8 0 0.0 0 0.0 0 0.0 6 32
389 A 389 GLN Q - 0 0 -98.6 169.2 178.2 -81.9 47.1 119.2 0 0.0 0 0.0 0 0.0 0 0.0 7 34
390 A 390 LYS K e - 0 0 -70.7 127.2 -179.5 -122.5 49.0 124.2 0 0.0 417 -2.2 0 0.0 0 0.0 6 24
391 A 391 MET M E E AM + 416 0 -75.7 131.4 178.0 174.5 32.6 123.1 0 0.0 0 0.0 0 0.0 0 0.0 8 26
392 A 392 GLU E E E A* S+ 0 0 -103.8 -26.8 -179.7 21.8 72.5 49.4 415 -2.0 0 0.0 0 0.0 0 0.0 7 30
393 A 393 VAL V E E AM S- 415 0 -150.3 128.1 177.1 -127.9 73.0 166.0 415 -2.8 415 -1.4 0 0.0 0 0.0 7 27
394 A 394 GLN Q E E A* - 0 0 -68.1 141.6 -178.8 -77.5 57.0 118.8 0 0.0 0 0.0 0 0.0 0 0.0 7 25
395 A 395 ARG R E E A* + 0 0 -44.0 138.3 -177.3 154.3 67.5 91.8 0 0.0 0 0.0 0 0.0 0 0.0 8 32
396 A 396 ARG R E E AM - 413 0 -160.8 165.3 179.4 -94.2 43.1 159.8 413 -1.6 413 -3.6 0 0.0 0 0.0 7 27
397 A 397 PRO P E E AM - 412 0 -87.8 157.9 178.6 -142.3 31.8 124.4 0 0.0 0 0.0 0 0.0 0 0.0 9 33
398 A 398 TRP W E E AM - 411 0 -121.3 147.4 -176.2 -136.1 17.3 161.3 411 -2.7 410 -3.9 0 0.0 411 -1.1 10 44
399 A 399 LEU L E E AM - 409 0 -110.8 158.2 -179.9 -171.0 17.1 138.1 0 0.0 0 0.0 0 0.0 0 0.0 10 37
400 A 400 VAL V E E AM - 408 0 -144.9 123.7 178.4 -136.3 22.6 171.2 408 -2.4 408 -2.0 0 0.0 402 -0.7 10 37
401 A 401 LYS K E E AM - 407 0 -82.6 115.4 -178.5 -155.4 27.0 138.6 0 0.0 0 0.0 0 0.0 0 0.0 9 25
402 A 402 TYR Y e > T - 0 0 -94.8 152.1 178.1 -55.4 51.1 128.9 406 -2.0 405 -1.2 400 -0.7 0 0.0 8 23
403 A 403 GLY G T T 3 TS- 0 0 -27.2 77.7 -172.9 -60.2 108.5 83.0 0 0.0 0 0.0 0 0.0 0 0.0 5 18
404 A 404 ASP D T T 3 TS+ 0 0 21.7 53.0 175.4 120.0 107.7 56.2 0 0.0 0 0.0 0 0.0 0 0.0 6 11
405 A 405 SER S S t < TS- 0 0 -111.6 25.1 -179.9 -106.4 89.6 103.5 402 -1.2 0 0.0 0 0.0 0 0.0 6 13
406 A 406 GLY G e - 0 0 66.3 174.2 177.9 -44.4 50.2 79.1 0 0.0 402 -2.0 0 0.0 0 0.0 7 14
407 A 407 GLU E E E AM - 401 0 -73.1 144.7 -179.0 -169.7 62.2 120.6 0 0.0 0 0.0 0 0.0 0 0.0 9 19
408 A 408 GLN Q E E AM - 400 0 -135.5 154.2 177.4 -94.1 33.0 164.3 400 -2.0 400 -2.4 0 0.0 0 0.0 8 27
409 A 409 ILE I E E AM - 399 0 -69.4 120.3 -179.7 -174.6 35.8 121.8 0 0.0 0 0.0 0 0.0 0 0.0 10 33
410 A 410 ALA A E E A* - 0 0 -93.4 -15.0 179.7 -63.0 57.3 50.7 398 -3.9 425 -2.8 0 0.0 0 0.0 12 46
411 A 411 GLY G E E AM - 398 0 161.9 -163.6 178.8 -68.5 62.4 163.7 398 -1.1 398 -2.7 0 0.0 0 0.0 11 53
412 A 412 PHE F E E AM - 397 0 -122.4 149.0 -178.7 -154.9 35.7 155.9 0 0.0 423 -2.2 0 0.0 0 0.0 13 42
413 A 413 VAL V E E AMN - 396 422 -132.6 134.4 176.5 -168.2 9.2 168.8 396 -3.6 396 -1.6 0 0.0 0 0.0 13 52
414 A 414 LYS K E E A*N - 0 421 -114.0 122.1 179.1 -164.2 17.4 171.8 421 -2.9 421 -2.6 0 0.0 0 0.0 11 46
415 A 415 GLU E E E AMN + 393 420 -116.0 138.3 176.9 165.8 16.5 154.6 393 -1.4 393 -2.8 0 0.0 392 -2.0 13 46
416 A 416 PHE F E E AM - 391 0 -126.0 -179.9 178.3 -64.0 60.3 130.6 419 -2.7 418 -0.6 0 0.0 0 0.0 11 42
417 A 417 SER S S e S- 0 0 -76.4 120.2 178.7 -8.4 120.1 130.8 390 -2.2 0 0.0 0 0.0 0 0.0 9 38
418 A 418 HIS H S e S+ 0 0 79.5 -6.7 177.1 72.5 126.1 72.9 416 -0.6 364 -1.5 0 0.0 0 0.0 11 46
419 A 419 ILE I E E Al - 364 0 -142.8 138.0 -180.0 -178.1 53.5 179.4 0 0.0 416 -2.7 0 0.0 0 0.0 11 61
420 A 420 ALA A E E AlN - 365 415 -133.1 141.5 177.3 -152.6 13.6 167.5 364 -1.3 366 -2.3 0 0.0 0 0.0 12 62
421 A 421 PHE F E E AlN + 366 414 -112.3 139.1 -176.7 178.6 23.6 165.1 414 -2.6 414 -2.9 0 0.0 0 0.0 13 65
422 A 422 LEU L E E AlN - 367 413 -146.9 143.8 177.7 -149.4 18.4 171.0 366 -2.3 368 -2.5 0 0.0 0 0.0 12 71
423 A 423 THR T E E Al - 368 0 -110.6 151.4 176.0 -146.9 8.9 147.4 412 -2.2 425 -0.6 0 0.0 0 0.0 13 64
424 A 424 ILE I E E Al > T - 369 0 -118.1 107.1 -177.8 -134.8 27.6 169.8 368 -2.1 370 -2.3 0 0.0 427 -1.4 16 60
425 A 425 LYS K T T 3 TS+ 0 0 -66.8 123.9 -179.1 12.8 86.3 124.6 410 -2.8 0 0.0 423 -0.6 0 0.0 11 50
426 A 426 GLY G T T 3 TS+ 0 0 90.6 -3.2 -179.7 120.3 100.8 67.5 0 0.0 0 0.0 0 0.0 0 0.0 9 44
427 A 427 ALA A t < T - 0 0 -98.7 146.6 177.9 -156.9 45.2 134.1 424 -1.4 371 -2.4 0 0.0 0 0.0 15 49
428 A 428 GLY G - 0 0 -96.8 -152.1 -177.9 -55.0 52.6 92.3 0 0.0 0 0.0 0 0.0 0 0.0 15 56
429 A 429 HIS H S S S+ 0 0 -58.8 -38.5 179.7 52.6 132.2 38.0 247 -2.6 431 -0.9 0 0.0 0 0.0 16 68
430 A 430 MET M S h > > TS+ 0 0 -104.0 73.9 -179.1 178.3 72.0 133.9 0 0.0 434 -1.5 0 0.0 433 -1.0 13 72
431 A 431 VAL V H H > 3 TS+ 0 0 -45.2 -46.7 179.9 54.8 75.1 34.8 429 -0.9 435 -3.1 0 0.0 0 0.0 15 65
432 A 432 PRO P H H 4 3 TS+ 0 0 -62.5 -32.1 178.8 51.0 108.1 32.0 0 0.0 0 0.0 0 0.0 0 0.0 12 63
433 A 433 THR T H H 4 < TS+ 0 0 -71.2 -35.9 -177.1 35.6 119.0 30.7 430 -1.0 0 0.0 0 0.0 0 0.0 9 58
434 A 434 ASP D H H < TS+ 0 0 -87.5 -40.2 -179.2 23.5 132.4 29.9 430 -1.5 0 0.0 0 0.0 0 0.0 9 50
435 A 435 LYS K h X T + 0 0 -129.3 74.2 -179.6 167.1 69.0 128.9 431 -3.1 439 -2.8 0 0.0 0 0.0 11 53
436 A 436 PRO P H H > TS+ 0 0 -54.1 -53.5 -179.0 43.2 77.7 23.3 0 0.0 440 -1.9 0 0.0 0 0.0 12 49
437 A 437 LEU L H H > TS+ 0 0 -64.0 -45.5 179.9 45.1 117.4 26.6 0 0.0 441 -2.3 0 0.0 0 0.0 8 47
438 A 438 ALA A H H > TS+ 0 0 -66.2 -40.1 178.7 53.6 110.8 25.4 0 0.0 442 -2.8 0 0.0 0 0.0 11 53
439 A 439 ALA A H H X TS+ 0 0 -58.8 -40.3 -180.0 45.3 113.3 25.7 435 -2.8 443 -2.2 0 0.0 0 0.0 11 66
440 A 440 PHE F H H X TS+ 0 0 -70.1 -42.5 -179.7 50.8 111.2 27.2 436 -1.9 444 -3.3 0 0.0 0 0.0 12 58
441 A 441 THR T H H X TS+ 0 0 -63.1 -42.0 177.8 46.3 113.4 23.7 437 -2.3 445 -2.2 0 0.0 0 0.0 9 51
442 A 442 MET M H H X TS+ 0 0 -64.9 -44.2 179.3 49.7 113.1 25.3 438 -2.8 446 -1.4 0 0.0 0 0.0 9 63
443 A 443 PHE F H H X TS+ 0 0 -59.7 -48.7 179.1 50.1 111.1 17.8 439 -2.2 447 -2.4 0 0.0 0 0.0 9 72
444 A 444 SER S H H X TS+ 0 0 -58.7 -44.7 179.8 47.0 110.6 29.5 440 -3.3 448 -2.1 0 0.0 0 0.0 9 50
445 A 445 ARG R H H < >TS+ 0 0 -70.6 -27.2 177.7 53.5 111.5 39.2 441 -2.2 450 -2.7 0 0.0 0 0.0 11 42
446 A 446 PHE F H H < >5TS+ 0 0 -66.6 -61.5 -179.9 42.0 112.2 9.5 442 -1.4 449 -2.1 0 0.0 0 0.0 12 51
447 A 447 LEU L H H < 35TS+ 0 0 -50.6 -46.4 -177.9 46.1 119.2 29.5 443 -2.4 0 0.0 0 0.0 0 0.0 8 52
448 A 448 ASN N T h < 35TS- 0 0 -80.7 0.7 -179.2 -125.1 107.6 67.3 444 -2.1 0 0.0 0 0.0 0 0.0 6 34
449 A 449 LYS K T T <5T + 0 0 55.1 36.7 177.6 149.7 59.2 29.8 446 -2.1 0 0.0 0 0.0 0 0.0 6 34
450 A 450 GLN Q t >>55<<< 5-turns
3-turns >33< >33< >33< >>3<< >33< >33< >33< >33X>3<< 3-turns
bridge-2 A BB CCCC eeeee dddd bridge-2
bridge-1 A AAAAAAA AAAAAAA dddd B FFF FFF CCCC bridge-1
sheets AAAAAAA AAAAAAAA AAAAA BBB BBB AAAAA sheets
4-turns >444< >444< >>>4<<< 4-turns
summary tTTTB SStTTtSS SSeEEEEEEEetTeEEEEEEEEe SSgGGGgeEEEEE tTTTBthHHHHHhTTteEEEeTTtSeEEEeTTgGGGgSEEEEEe summary
sequence APDQDEIQRLPGLAKQPSFRQYSGYLKSSGSKHLHYWFVESQKDPENSPVVLWLNGGPGCSSLDGLLTEHGPFLVQPDGVTLEYNPYSWNLIANVLYLES sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand STTSTT EESS BHHHHHHHHHHHHHHHHHHSGGGTTS EEEEEETTHHHHHHHHHHHHTT TTS EEEEEEES SBHHHHHHHHHHHHHHTTSS Kabs/Sand
chirality -++--++--+-++++--++++++++++++++++++++++++----++--++++++++++++++++-++--+--------++-++++++++++++++-++- chirality
bends SSSSSS SS SSSSSSSSSSSSSSSSSSS SSSSS SSSSSSSSSSSSSSSS SSS SS S SSSSSSSSSSSSSSSSSS bends
turns TTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >33X33< >33< >>3X<3< >>><<< >>333< >33< 3-turns
bridge-2 gggggg hhhhh bridge-2
bridge-1 BB c eeeee g*ggggg D bridge-1
sheets AA AAAAAA AAAAAAA sheets
4-turns >>>>XXXXXXXXXXXX<<<< >>4>XX>XXX<<<< >>>>XXXXXXXX<<<< 4-turns
summary tTTtTTtEEeS hHHHHHHHHHHHHHHHHHHhGGGgTteEEEEEEehHHHHHHHHHHHHhTtTTteEEEEEEEe ShHHHHHHHHHHHHHHhTtS summary
sequence PAGVGFSYSDDKFYATNDTEVAQSNFEALQDFFRLFPEYKNNKLFLTGESYAGIYIPTLAVLVMQDPSMNLQGLAVGNGLSSYEQNDNSLVYFAYYHGLL sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand HHHHHHHHHHHEETTEE SS HHHHHHHHHHHHHHHSSS TT TTS TT SSSEEEETTEEEE S SSTTS GGGHHHHT EEEE Kabs/Sand
chirality -++++++++++++--+--++-+-+-++++++++++++++++-+--++-++-------+-+-----+---++--++-+++-+-+--+++++++-+--+-+- chirality
bends SSSSSSSSSSS SSS SS SSSSSSSSSSSSSSSSSS SS SSS SS SSS SSS S SS SS SSSSSSS bends
turns TTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTT TTTTTTT TTTT TTTT TTTT TTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >33< >33X33< >33< >33< >33< >>3<<>33< 3-turns
bridge-2 kkkk E bridge-2
bridge-1 II II JJJJ JJJJ kkkk bridge-1
sheets CC CC DDDD DDDD DDDD sheets
4-turns >>>>XXXXX<<<< >>>>XXXXXXXXX<<<< >44>X44<< 4-turns
summary hHHHHHHHHHHHEETTEEe SS hHHHHHHHHHHHHHHHhSS tTTtTTt tTTt SSeEEEETeEEEEe S StTTt gGGhHHHHhtEEEEe summary
sequence GNRLWSSLQTHCCSQNKCNFYDNKDLECVTNLQEVARIVGNSGLNIYNLYAPCAGGVPSHFRYEKDTVVVQDLGNIFTRLPLKRMWHQALLRSGDKVRMD sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand TT HHHHHHHTSHHHHHHTT TTS SB HHHHHH B SBSHHHHHHHHHH EEEEEEETT SSS HHHHHHHHHHT EEEEEEEEEE Kabs/Sand
chirality --+--+++++++++-++++++-+--++---+-+--++++++--++---++++++++++-++--+-----++-++--++++++++++-+--++--+----- chirality
bends SS SSSSSSSSSSSSSSSS SSS SS SSSSSS S SSSSSSSSSSS SS SSS SSSSSSSSSSS SS bends
turns TTTT TTTTTTTTTTTTTTTTTTTTTTT TTTTTTTT TTTTTTTTTTTT TTTT TTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >33< >33X33< >33< >33< >33< >33< >33< >>3<< 3-turns
bridge-2 E llllll bridge-2
bridge-1 B c D hhhhh M*M**MMMMM bridge-1
sheets AAAAAAA AAAAAAAAAA sheets
4-turns >>>>X<<<<>>>><<<< >>>><<<< >>>>XXXX<<<< >>>>XXXX<<<< 4-turns
summary tTTt hHHHHHHHhhHHHHHHhTttTTt SBhHHHHHHhB SBhHHHHHHHHHHh EEEEEEEeTtSSShHHHHHHHHHHht eEEEEEEEEEE summary
sequence PPCTNTTAASTYLNNPYVRKALNIPEQLPQWDMCNFLVNLQYRRLYRSMNSQYLKLLSSQKYQILLYNGDVDMACNFMGDEWFVDSLNQKMEVQRRPWLV sequence
310 320 330 340 350 360 370 380 390 400
author author
Kabs/Sand E TTS EEEEEEEEEESSEEEEEETT SSHHHH HHHHHHHHHHHHTT Kabs/Sand
chirality ---+----------+--+--+---++--+++++++++++++++++++-+- chirality
bends SSS SS SS SSSSSS SSSSSSSSSSSSS bends
turns TTTT TTTT TTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >33< >33< >33< >33< 3-turns
bridge-2 NNN NNN bridge-2
bridge-1 M MMM*MMM*MM llllll bridge-1
sheets A AAAAAAAAAA AAAAAA sheets
4-turns >>44>>XXXXXX<<<< 4-turns
summary EeTTteEEEEEEEEEEeeEEEEEETTt ShHHHHhHHHHHHHHHHHHhTt summary
sequence KYGDSGEQIAGFVKEFSHIAFLTIKGAGHMVPTDKPLAAFTMFSRFLNKQPY sequence
410 420 430 440 450