Secondary structure calculation program - copyright by David Keith Smith, 1989
1g8fA.pdb
1G8F TRANSFERASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 510
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 2 PRO P 0 0 999.9 177.8 180.0 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 9 43
2 A 3 ALA A - 0 0 -75.9 147.6 179.4 -94.8 999.9 118.7 0 0.0 0 0.0 0 0.0 0 0.0 10 39
3 A 4 PRO P t > T - 0 0 -55.6 156.0 -179.4 -82.0 56.1 100.8 0 0.0 6 -2.4 0 0.0 0 0.0 13 48
4 A 5 HIS H T T 3 TS+ 0 0 -64.1 124.4 -177.1 20.2 123.5 115.1 0 0.0 0 0.0 0 0.0 0 0.0 11 50
5 A 6 GLY G T T 3 TS- 0 0 94.0 -8.9 176.6 -88.7 125.4 69.3 0 0.0 0 0.0 0 0.0 0 0.0 7 38
6 A 7 GLY G S t < TS+ 0 0 98.4 -26.5 -177.6 73.9 104.1 87.0 3 -2.4 0 0.0 0 0.0 0 0.0 7 32
7 A 8 ILE I S S S- 0 0 -127.3 130.8 178.4 -124.7 76.6 168.7 0 0.0 9 -0.7 0 0.0 0 0.0 9 33
8 A 9 LEU L - 0 0 -73.2 115.4 178.9 -148.1 22.2 126.5 0 0.0 10 -1.9 0 0.0 0 0.0 12 42
9 A 10 GLN Q + 0 0 -84.8 66.8 177.5 165.4 30.4 117.1 7 -0.7 11 -1.3 0 0.0 0 0.0 15 46
10 A 11 ASP D h > T - 0 0 -82.6 95.7 -177.7 -179.4 10.2 136.9 8 -1.9 14 -2.4 0 0.0 0 0.0 12 52
11 A 12 LEU L H H > TS+ 0 0 -73.8 -24.9 177.3 63.3 75.7 40.6 48 -1.5 15 -2.7 9 -1.3 0 0.0 13 47
12 A 13 ILE I H H 4 TS+ 0 0 -62.1 -46.9 178.8 39.1 111.5 16.4 48 -1.4 0 0.0 0 0.0 0 0.0 12 47
13 A 14 ALA A H H 4 > TS+ 0 0 -67.1 -47.7 -179.3 52.8 114.9 21.9 0 0.0 16 -1.3 0 0.0 0 0.0 6 34
14 A 15 ARG R H H < 3 TS+ 0 0 -55.0 -45.2 -177.6 37.1 117.6 23.7 10 -2.4 0 0.0 0 0.0 0 0.0 8 36
15 A 16 ASP D T h < > TS+ 0 0 -94.7 14.0 -179.6 117.8 78.4 77.2 11 -2.7 18 -2.4 0 0.0 0 0.0 11 34
16 A 17 ALA A G T X TS+ 0 0 -47.3 -47.6 -178.1 48.2 78.8 27.1 13 -1.3 19 -1.3 0 0.0 0 0.0 7 26
17 A 18 LEU L G T 3 TS+ 0 0 -77.5 2.4 178.8 54.1 109.6 62.9 0 0.0 0 0.0 0 0.0 0 0.0 6 19
18 A 19 LYS K G h > < TS+ 0 0 -112.6 4.9 -177.2 101.9 78.1 71.6 15 -2.4 22 -3.1 0 0.0 0 0.0 8 26
19 A 20 LYS K H H > < TS+ 0 0 -57.3 -53.1 179.1 42.6 83.1 23.3 16 -1.3 23 -2.6 0 0.0 0 0.0 10 30
20 A 21 ASN N H H > TS+ 0 0 -58.0 -47.6 -178.8 48.8 118.0 19.8 0 0.0 24 -2.6 0 0.0 0 0.0 7 26
21 A 22 GLU E H H > TS+ 0 0 -60.2 -44.9 179.9 43.6 114.1 26.8 0 0.0 25 -2.0 0 0.0 0 0.0 7 26
22 A 23 LEU L H H X TS+ 0 0 -71.3 -35.8 179.1 53.2 112.7 30.3 18 -3.1 26 -2.6 0 0.0 0 0.0 13 41
23 A 24 LEU L H H X TS+ 0 0 -63.6 -46.0 179.8 47.9 109.8 20.0 19 -2.6 27 -1.5 0 0.0 0 0.0 10 39
24 A 25 SER S H H < TS+ 0 0 -61.5 -42.7 179.3 47.8 113.5 23.2 20 -2.6 0 0.0 0 0.0 0 0.0 8 33
25 A 26 GLU E H H < > TS+ 0 0 -64.4 -41.3 -179.1 53.6 108.8 24.9 21 -2.0 28 -1.2 0 0.0 0 0.0 8 35
26 A 27 ALA A H H < 3 TS+ 0 0 -64.2 -27.3 -179.5 46.1 112.3 38.0 22 -2.6 0 0.0 0 0.0 0 0.0 13 39
27 A 28 GLN Q T h < 3 TS+ 0 0 -95.6 0.0 179.3 119.2 84.4 65.3 23 -1.5 0 0.0 0 0.0 0 0.0 8 33
28 A 29 SER S t X T - 0 0 -64.2 149.0 -178.5 -126.1 69.8 108.4 25 -1.2 31 -0.6 0 0.0 0 0.0 7 25
29 A 30 SER S T T 3 TS+ 0 0 -70.4 -24.9 -178.1 54.5 102.6 38.8 0 0.0 0 0.0 0 0.0 0 0.0 4 20
30 A 31 ASP D T T 3 TS+ 0 0 -86.2 -13.6 -178.7 100.2 83.5 51.6 0 0.0 0 0.0 0 0.0 0 0.0 4 20
31 A 32 ILE I S t < TS- 0 0 -79.5 143.3 179.1 -117.7 74.5 119.6 28 -0.6 0 0.0 0 0.0 0 0.0 11 33
32 A 33 LEU L E E Aa - 101 0 -75.2 139.3 -178.7 -151.1 30.5 124.0 100 -0.5 102 -2.7 0 0.0 0 0.0 7 41
33 A 34 VAL V E E Aa - 102 0 -120.4 135.3 176.7 -169.0 13.6 159.9 0 0.0 0 0.0 0 0.0 0 0.0 8 45
34 A 35 TRP W E E Aa - 103 0 -119.8 128.1 179.4 -141.6 18.3 170.2 102 -2.6 104 -2.6 0 0.0 36 -0.7 8 55
35 A 36 ASN N E E Aa - 104 0 -91.8 118.2 -178.9 -125.2 25.8 145.4 0 0.0 0 0.0 0 0.0 0 0.0 9 41
36 A 37 LEU L e - 0 0 -63.6 140.2 178.0 -131.4 17.7 107.9 104 -3.0 0 0.0 34 -0.7 0 0.0 11 51
37 A 38 THR T h > T - 0 0 -84.1 165.7 -179.9 -94.4 34.9 116.7 0 0.0 41 -2.1 0 0.0 0 0.0 7 44
38 A 39 PRO P H H > TS+ 0 0 -51.5 -40.9 179.6 45.3 126.1 30.1 0 0.0 42 -1.3 0 0.0 0 0.0 6 43
39 A 40 ARG R H H > TS+ 0 0 -71.0 -38.0 179.0 53.4 110.5 26.5 0 0.0 43 -2.5 0 0.0 0 0.0 10 52
40 A 41 GLN Q H H > TS+ 0 0 -64.1 -31.3 178.4 56.1 105.1 34.5 0 0.0 44 -2.9 0 0.0 0 0.0 9 60
41 A 42 LEU L H H X TS+ 0 0 -68.9 -38.5 177.2 48.0 107.7 27.0 37 -2.1 45 -1.6 0 0.0 0 0.0 11 55
42 A 43 CYS C H H X TS+ 0 0 -64.3 -46.6 -179.7 45.3 115.5 19.9 38 -1.3 46 -1.5 0 0.0 0 0.0 14 53
43 A 44 ASP D H H X TS+ 0 0 -64.3 -44.8 -178.1 50.1 111.5 23.1 39 -2.5 47 -1.9 0 0.0 0 0.0 11 67
44 A 45 ILE I H H X TS+ 0 0 -66.8 -29.8 178.6 56.9 106.0 32.5 40 -2.9 48 -2.8 0 0.0 0 0.0 10 66
45 A 46 GLU E H H X TS+ 0 0 -64.2 -41.9 -179.7 46.2 109.5 21.8 41 -1.6 49 -1.8 0 0.0 0 0.0 11 67
46 A 47 LEU L H H < >TS+ 0 0 -70.8 -33.0 177.1 46.8 114.4 36.2 42 -1.5 52 -2.0 0 0.0 51 -0.8 12 71
47 A 48 ILE I H H < >5TS+ 0 0 -71.4 -52.2 -178.5 47.6 114.2 13.4 43 -1.9 50 -1.5 0 0.0 0 0.0 16 69
48 A 49 LEU L H H < 35TS+ 0 0 -58.6 -31.5 -178.8 45.8 113.8 39.8 44 -2.8 11 -1.5 0 0.0 12 -1.4 15 64
49 A 50 ASN N T h < 35TS- 0 0 -95.8 5.7 178.3 -109.0 116.3 66.3 45 -1.8 0 0.0 0 0.0 0 0.0 15 57
50 A 51 GLY G T T X5TS+ 0 0 84.9 1.9 -180.0 127.0 83.1 61.7 47 -1.5 53 -2.0 0 0.0 0 0.0 17 58
51 A 52 GLY G T T 3 TS- 0 0 -103.3 23.1 178.6 -170.3 97.5 86.7 46 -2.0 55 -2.5 0 0.0 0 0.0 12 65
53 A 54 SER S T T < T + 0 0 -49.1 141.8 0.9 36.1 67.5 105.4 50 -2.0 0 0.0 0 0.0 0 0.0 15 61
54 A 55 PRO P T T 3 TS+ 0 0 -80.0 3.9 179.9 94.9 100.9 166.7 0 0.0 0 0.0 0 0.0 0 0.0 12 56
55 A 56 LEU L t < T + 0 0 -60.6 140.4 177.7 171.8 38.7 107.0 52 -2.5 0 0.0 0 0.0 0 0.0 9 59
56 A 57 THR T e - 0 0 -131.4 13.8 178.6 -2.8 69.5 83.2 0 0.0 157 -2.6 0 0.0 0 0.0 12 56
57 A 58 GLY G E E AB S- 156 0 -176.8 -169.4 176.9 -54.6 96.9 160.9 0 0.0 0 0.0 0 0.0 0 0.0 10 64
58 A 59 PHE F E E AB S- 155 0 -90.1 141.1 -175.7 -92.0 70.4 137.7 155 -1.4 155 -2.6 0 0.0 0 0.0 13 67
59 A 60 LEU L - 0 0 -60.1 130.3 176.8 -143.7 32.6 103.0 83 -2.2 0 0.0 0 0.0 0 0.0 14 57
60 A 61 ASN N h > T - 0 0 -80.5 173.0 -177.3 -91.3 40.6 109.4 0 0.0 64 -2.5 0 0.0 0 0.0 14 47
61 A 62 GLU E H H > TS+ 0 0 -58.6 -34.8 -180.0 59.6 123.5 33.1 0 0.0 65 -3.1 0 0.0 0 0.0 9 45
62 A 63 ASN N H H > TS+ 0 0 -58.6 -53.1 179.8 34.1 114.0 18.8 0 0.0 66 -1.6 0 0.0 0 0.0 8 38
63 A 64 ASP D H H > TS+ 0 0 -68.7 -43.3 -179.8 55.4 118.2 24.4 0 0.0 67 -2.4 0 0.0 0 0.0 12 43
64 A 65 TYR Y H H X TS+ 0 0 -55.2 -50.2 -179.0 47.8 106.9 24.4 60 -2.5 68 -2.9 0 0.0 0 0.0 14 51
65 A 66 SER S H H X TS+ 0 0 -59.6 -45.6 179.6 50.2 112.4 21.0 61 -3.1 69 -2.5 0 0.0 0 0.0 8 44
66 A 67 SER S H H X TS+ 0 0 -61.2 -38.5 177.8 48.4 111.1 29.9 62 -1.6 70 -2.4 0 0.0 72 -1.0 12 33
67 A 68 VAL V H H X TS+ 0 0 -67.6 -44.5 -179.0 51.4 111.4 20.1 63 -2.4 71 -1.6 0 0.0 0 0.0 15 45
68 A 69 VAL V H H < TS+ 0 0 -59.7 -45.2 -178.5 21.5 126.5 22.9 64 -2.9 0 0.0 0 0.0 0 0.0 14 47
69 A 70 THR T H H < TS+ 0 0 -93.1 -38.5 -177.4 26.1 138.2 30.9 65 -2.5 0 0.0 0 0.0 0 0.0 8 35
70 A 71 ASP D H H < TS- 0 0 -109.5 1.7 179.5 -124.6 90.7 65.3 66 -2.4 0 0.0 0 0.0 0 0.0 6 33
71 A 72 SER S S h < TS+ 0 0 58.5 33.8 179.4 96.4 81.1 28.6 67 -1.6 79 -2.0 0 0.0 0 0.0 11 48
72 A 73 ARG R B B A S- 78 0 -151.0 155.4 176.3 -108.2 80.3 171.7 66 -1.0 0 0.0 0 0.0 0 0.0 14 41
73 A 74 LEU L t > T - 0 0 -75.2 161.1 -179.3 -94.6 53.1 115.9 77 -2.4 76 -3.3 0 0.0 0 0.0 12 40
74 A 75 ALA A T T 3 TS+ 0 0 -49.1 -34.3 -180.0 58.2 127.7 34.8 0 0.0 0 0.0 0 0.0 0 0.0 10 29
75 A 76 ASP D T T 3 TS- 0 0 -78.3 2.4 178.7 -103.8 123.4 62.1 0 0.0 0 0.0 0 0.0 0 0.0 6 28
76 A 77 GLY G t < T + 0 0 95.2 -3.6 179.6 147.5 69.9 64.7 73 -3.3 0 0.0 0 0.0 0 0.0 6 29
77 A 78 THR T - 0 0 -68.4 129.6 179.1 -105.7 59.0 120.7 0 0.0 73 -2.4 0 0.0 0 0.0 8 42
78 A 79 LEU L B B A + 72 0 -58.8 128.3 -179.5 149.1 58.5 112.1 0 0.0 0 0.0 0 0.0 0 0.0 7 52
79 A 80 TRP W - 0 0 -165.2 112.1 -175.6 -178.3 20.8 140.0 71 -2.0 0 0.0 0 0.0 0 0.0 11 60
80 A 81 THR T + 0 0 -96.0 -16.1 -179.3 61.8 61.7 53.4 0 0.0 0 0.0 0 0.0 0 0.0 13 58
81 A 82 ILE I S S S- 0 0 -119.0 124.2 180.0 -131.2 75.6 164.2 0 0.0 0 0.0 0 0.0 0 0.0 11 70
82 A 83 PRO P - 0 0 -71.5 131.5 178.9 -164.0 17.6 121.5 0 0.0 84 -0.6 0 0.0 0 0.0 9 74
83 A 84 ILE I + 0 0 -118.3 109.0 -176.6 159.2 24.9 162.8 0 0.0 59 -2.2 0 0.0 0 0.0 8 75
84 A 85 THR T - 0 0 -132.8 157.6 178.8 -115.7 46.9 153.1 82 -0.6 86 -1.0 0 0.0 0 0.0 11 71
85 A 86 LEU L E E AC - 153 0 -95.7 101.2 -177.9 -160.9 36.1 145.5 153 -0.5 153 -1.9 0 0.0 0 0.0 11 69
86 A 87 ASP D E E AC + 152 0 -89.2 125.4 -178.2 163.9 18.6 136.7 84 -1.0 0 0.0 0 0.0 0 0.0 10 56
87 A 88 VAL V E E AC - 151 0 -132.9 169.8 178.8 -100.0 35.2 145.0 151 -3.1 151 -2.4 0 0.0 0 0.0 12 51
88 A 89 ASP D h > > T - 0 0 -91.2 164.9 -178.9 -103.8 37.3 119.1 0 0.0 92 -2.5 0 0.0 91 -1.1 9 33
89 A 90 GLU E H H > 3 TS+ 0 0 -52.6 -47.3 -179.8 62.0 116.1 27.1 0 0.0 93 -2.6 0 0.0 0 0.0 8 24
90 A 91 ALA A H H 4 3 TS+ 0 0 -51.2 -33.5 179.8 36.7 113.9 34.1 0 0.0 0 0.0 0 0.0 0 0.0 6 22
91 A 92 PHE F H H 4 X TS+ 0 0 -86.3 -43.4 -179.3 56.4 112.4 27.0 88 -1.1 94 -0.9 0 0.0 0 0.0 8 36
92 A 93 ALA A H H < > TS+ 0 0 -57.8 -31.2 -178.8 61.3 101.2 34.6 88 -2.5 95 -1.3 0 0.0 0 0.0 11 41
93 A 94 ASN N T h < 3 TS+ 0 0 -68.4 -31.8 179.2 51.2 100.1 34.3 89 -2.6 0 0.0 0 0.0 0 0.0 7 27
94 A 95 GLN Q T T < TS+ 0 0 -90.7 19.8 179.9 88.2 100.6 77.9 91 -0.9 0 0.0 0 0.0 0 0.0 6 29
95 A 96 ILE I t < T + 0 0 -117.9 149.0 178.0 163.5 46.1 151.5 92 -1.3 0 0.0 0 0.0 0 0.0 9 38
96 A 97 LYS K t > T - 0 0 -154.5 161.0 179.9 -67.9 48.9 164.6 0 0.0 99 -1.9 0 0.0 0 0.0 10 32
97 A 98 PRO P T T 3 TS+ 0 0 -55.8 147.4 -179.8 22.4 118.6 101.4 0 0.0 0 0.0 0 0.0 0 0.0 9 30
98 A 99 ASP D T T 3 TS+ 0 0 81.0 -18.3 177.6 134.1 88.0 82.6 116 -3.3 0 0.0 0 0.0 0 0.0 7 27
99 A 100 THR T e < T - 0 0 -59.9 141.5 177.9 -143.1 49.7 110.6 96 -1.9 116 -2.9 0 0.0 101 -0.5 8 33
100 A 101 ARG R E E A D - 0 115 -110.3 125.3 -179.9 -175.4 21.7 163.0 0 0.0 32 -0.5 0 0.0 0 0.0 10 47
101 A 102 ILE I E E AaD - 32 114 -123.1 152.2 179.4 -125.3 22.7 155.2 114 -2.5 114 -2.8 99 -0.5 0 0.0 13 55
102 A 103 ALA A E E AaD - 33 113 -95.0 136.6 179.3 -149.9 17.3 140.0 32 -2.7 34 -2.6 0 0.0 104 -0.6 14 59
103 A 104 LEU L E E AaD - 34 112 -110.5 118.1 -178.6 -171.7 21.6 160.3 112 -3.3 111 -3.0 0 0.0 112 -1.5 14 64
104 A 105 PHE F E E AaD - 35 110 -108.4 164.1 176.6 -139.3 20.5 131.8 34 -2.6 36 -3.0 102 -0.6 0 0.0 14 48
105 A 106 GLN Q E E >A D> TS- 0 109 -120.0 131.7 178.6 -4.4 89.1 168.2 109 -2.2 109 -2.6 0 0.0 108 -2.0 13 39
106 A 107 ASP D T T 4 3 TS- 0 0 56.6 31.0 -179.5 -79.8 116.1 35.2 0 0.0 0 0.0 0 0.0 0 0.0 7 26
107 A 108 ASP D T T 4 3 TS+ 0 0 49.9 24.5 -177.8 62.9 130.2 43.8 0 0.0 0 0.0 0 0.0 0 0.0 6 26
108 A 109 GLU E T T 4 < TS+ 0 0 -145.0 -31.1 -178.9 71.5 80.0 55.4 105 -2.0 0 0.0 0 0.0 0 0.0 6 29
109 A 110 ILE I E E > T - 0 0 -82.7 94.1 -178.5 -170.0 31.4 135.0 0 0.0 127 -1.8 0 0.0 126 -0.6 6 33
124 A 125 LYS K H H > 3 TS+ 0 0 -63.2 -16.4 178.0 63.9 81.6 46.7 122 -1.3 128 -2.0 0 0.0 0 0.0 9 44
125 A 126 THR T H H > 3 TS+ 0 0 -71.7 -44.9 179.3 41.3 106.3 22.0 0 0.0 129 -1.7 0 0.0 0 0.0 6 31
126 A 127 ILE I H H > < TS+ 0 0 -70.8 -34.1 -179.8 53.4 113.7 33.4 123 -0.6 130 -3.0 0 0.0 0 0.0 7 32
127 A 128 GLU E H H X >TS+ 0 0 -65.1 -51.2 179.8 49.2 108.7 13.1 123 -1.8 131 -2.8 0 0.0 132 -0.9 11 49
128 A 129 ALA A H H X 5TS+ 0 0 -52.8 -43.8 -178.6 41.1 118.0 27.4 124 -2.0 134 -2.5 0 0.0 132 -0.9 14 43
129 A 130 GLU E H H X 5TS+ 0 0 -72.4 -52.2 -178.4 39.2 120.1 18.9 125 -1.7 133 -0.8 0 0.0 0 0.0 10 38
130 A 131 ARG R H H < 5TS+ 0 0 -69.8 -36.7 -178.1 27.0 129.2 32.6 126 -3.0 0 0.0 0 0.0 0 0.0 10 39
131 A 132 VAL V H H < 5TS+ 0 0 -96.4 -40.1 -176.9 26.7 133.7 31.1 127 -2.8 0 0.0 0 0.0 0 0.0 12 57
132 A 133 PHE F H H < T - 0 0 -72.6 111.9 -179.9 -146.4 46.0 121.3 0 0.0 138 -3.8 0 0.0 0 0.0 11 38
136 A 137 PRO P T T 3 TS+ 0 0 -49.1 -16.4 179.2 59.7 99.1 48.5 0 0.0 0 0.0 0 0.0 0 0.0 6 37
137 A 138 GLU E T T 3 TS+ 0 0 -92.2 -4.2 178.7 117.2 74.4 58.6 0 0.0 0 0.0 0 0.0 0 0.0 8 36
138 A 139 HIS H S h > X TS- 0 0 -63.6 125.9 -179.5 -127.6 73.3 117.9 135 -3.8 142 -2.6 0 0.0 141 -1.3 12 47
139 A 140 PRO P H H > 3 TS+ 0 0 -44.4 -35.6 -178.9 50.1 109.4 38.5 0 0.0 143 -1.8 0 0.0 0 0.0 11 44
140 A 141 ALA A H H > 3 TS+ 0 0 -76.3 -33.3 -179.4 48.0 110.1 35.3 0 0.0 144 -2.9 0 0.0 0 0.0 11 55
141 A 142 ILE I H H > < TS+ 0 0 -74.2 -40.7 177.6 51.5 110.7 24.8 138 -1.3 145 -2.0 0 0.0 0 0.0 13 43
142 A 143 SER S H H X TS+ 0 0 -58.7 -46.5 179.3 42.9 115.6 20.0 138 -2.6 146 -2.6 0 0.0 0 0.0 11 37
143 A 144 TYR Y H H X >TS+ 0 0 -64.8 -47.4 -178.4 56.9 110.2 20.3 139 -1.8 148 -2.6 0 0.0 147 -2.1 9 43
144 A 145 LEU L H H < 5TS+ 0 0 -55.2 -34.6 -178.9 27.9 120.0 36.1 140 -2.9 0 0.0 0 0.0 0 0.0 11 49
145 A 146 PHE F H H < 5TS+ 0 0 -96.8 -42.9 -177.6 35.9 128.5 31.9 141 -2.0 0 0.0 0 0.0 0 0.0 8 33
146 A 147 ASN N H H < 5TS+ 0 0 -87.1 -21.7 -177.2 17.0 132.8 44.9 142 -2.6 0 0.0 0 0.0 0 0.0 6 23
147 A 148 VAL V T h < 5TS+ 0 0 -118.1 -45.8 -178.6 86.8 99.1 38.9 143 -2.1 0 0.0 0 0.0 0 0.0 7 32
148 A 149 ALA A S t > T + 0 0 47.0 46.1 179.6 169.8 65.3 36.9 0 0.0 172 -1.1 0 0.0 171 -0.7 7 30
169 A 170 PRO P T T 4 3 TS+ 0 0 -51.9 -38.4 -179.9 52.9 76.0 30.3 0 0.0 0 0.0 0 0.0 0 0.0 7 23
170 A 171 GLY G T T 4 3 TS+ 0 0 -68.9 -33.1 -176.1 45.0 109.2 31.6 0 0.0 0 0.0 0 0.0 0 0.0 5 26
171 A 172 LEU L T T 4 < TS+ 0 0 -92.9 -7.0 -177.5 90.6 83.9 56.7 168 -0.7 257 -2.7 0 0.0 173 -1.6 8 43
172 A 173 ARG R t < T + 0 0 -90.2 69.0 -177.9 179.7 60.8 117.7 168 -1.1 0 0.0 0 0.0 0 0.0 10 47
173 A 174 LYS K - 0 0 -73.9 136.3 174.7 -138.5 21.2 117.2 171 -1.6 0 0.0 0 0.0 0 0.0 11 50
174 A 175 THR T h > T - 0 0 -79.8 169.1 179.0 -98.2 35.6 112.1 0 0.0 178 -3.1 0 0.0 0 0.0 10 59
175 A 176 PRO P H H > TS+ 0 0 -55.9 -42.4 -178.2 48.9 125.9 24.6 0 0.0 179 -2.3 0 0.0 0 0.0 12 60
176 A 177 ALA A H H > TS+ 0 0 -65.4 -42.3 179.8 45.9 113.7 23.7 0 0.0 180 -1.5 0 0.0 0 0.0 10 46
177 A 178 GLN Q H H > TS+ 0 0 -66.1 -42.5 -178.6 50.0 112.3 25.9 0 0.0 181 -1.9 0 0.0 0 0.0 8 43
178 A 179 LEU L H H X TS+ 0 0 -64.9 -44.5 178.5 53.0 108.1 22.7 174 -3.1 182 -2.3 0 0.0 0 0.0 12 53
179 A 180 ARG R H H X TS+ 0 0 -57.5 -36.7 178.1 49.9 109.7 28.0 175 -2.3 183 -2.6 0 0.0 0 0.0 10 49
180 A 181 LEU L H H X TS+ 0 0 -70.4 -34.2 178.8 53.6 107.2 32.8 176 -1.5 184 -2.5 0 0.0 0 0.0 8 31
181 A 182 GLU E H H X TS+ 0 0 -65.2 -41.4 179.7 44.3 112.7 24.2 177 -1.9 185 -0.8 0 0.0 0 0.0 8 35
182 A 183 PHE F H H < >>TS+ 0 0 -67.1 -44.9 -179.3 51.4 113.5 21.6 178 -2.3 187 -2.7 0 0.0 185 -0.8 11 41
183 A 184 GLN Q H H < >5TS+ 0 0 -60.9 -40.2 -177.8 55.1 104.5 25.1 179 -2.6 186 -1.5 0 0.0 0 0.0 9 29
184 A 185 SER S H H < 35TS+ 0 0 -66.9 -22.2 178.8 44.7 112.0 39.4 180 -2.5 0 0.0 0 0.0 0 0.0 7 20
185 A 186 ARG R T h < <5TS- 0 0 -96.4 -0.2 -176.9 -119.6 113.2 67.6 181 -0.8 0 0.0 182 -0.8 0 0.0 6 25
186 A 187 GLN Q T T <5T + 0 0 61.5 35.2 178.4 159.5 57.0 32.6 183 -1.5 188 -0.7 0 0.0 0 0.0 6 23
187 A 188 TRP W t > T - 0 0 -108.0 -177.4 -177.9 -79.1 46.7 117.2 0 0.0 204 -1.8 0 0.0 203 -0.8 10 58
201 A 202 ARG R H H > 3 TS+ 0 0 -51.6 -43.9 179.4 58.1 127.4 29.7 374 -2.0 205 -2.8 0 0.0 0 0.0 10 49
202 A 203 ALA A H H > 3 TS+ 0 0 -56.1 -38.8 -178.9 48.9 106.1 31.1 374 -0.5 206 -2.7 0 0.0 0 0.0 13 52
203 A 204 HIS H H H > < TS+ 0 0 -72.2 -39.9 177.8 49.5 110.2 24.7 200 -0.8 207 -2.3 0 0.0 0 0.0 9 62
204 A 205 ARG R H H X TS+ 0 0 -61.0 -47.2 -180.0 47.3 114.6 15.2 200 -1.8 208 -2.3 0 0.0 0 0.0 12 60
205 A 206 GLU E H H X TS+ 0 0 -61.0 -46.9 -179.4 48.6 111.4 22.1 201 -2.8 209 -2.1 0 0.0 0 0.0 10 49
206 A 207 LEU L H H X TS+ 0 0 -64.0 -36.0 -179.9 48.6 112.4 27.4 202 -2.7 210 -2.0 0 0.0 0 0.0 11 55
207 A 208 THR T H H X TS+ 0 0 -72.1 -39.4 177.5 49.3 110.8 24.6 203 -2.3 211 -2.2 0 0.0 0 0.0 10 59
208 A 209 VAL V H H X TS+ 0 0 -64.6 -37.2 179.1 49.4 112.4 26.9 204 -2.3 212 -2.1 0 0.0 0 0.0 10 51
209 A 210 ARG R H H X TS+ 0 0 -67.4 -39.0 178.1 52.4 108.7 27.2 205 -2.1 213 -2.7 0 0.0 0 0.0 8 44
210 A 211 ALA A H H X TS+ 0 0 -60.6 -43.0 -179.5 49.8 109.7 23.8 206 -2.0 214 -2.4 0 0.0 0 0.0 11 46
211 A 212 ALA A H H X >TS+ 0 0 -63.1 -40.5 -179.0 50.1 110.3 26.5 207 -2.2 216 -1.9 0 0.0 215 -0.7 13 44
212 A 213 ARG R H H < >5TS+ 0 0 -64.4 -47.0 -177.8 44.0 114.0 18.7 208 -2.1 215 -0.6 0 0.0 0 0.0 8 33
213 A 214 GLU E H H < 35TS+ 0 0 -69.4 -36.0 179.5 40.7 119.1 30.6 209 -2.7 0 0.0 0 0.0 0 0.0 7 29
214 A 215 ALA A H H < 35TS- 0 0 -91.7 2.4 -178.0 -127.5 102.7 64.1 210 -2.4 0 0.0 0 0.0 0 0.0 8 34
215 A 216 ASN N T h < <5T + 0 0 49.9 49.2 -178.4 130.3 68.7 18.9 211 -0.7 0 0.0 212 -0.6 0 0.0 7 32
216 A 217 ALA A t TS- 0 0 -78.8 140.7 179.8 -99.2 70.3 124.4 0 0.0 231 -2.1 0 0.0 0 0.0 10 44
229 A 230 PRO P T T 3 TS+ 0 0 -56.6 136.4 -179.7 26.3 111.6 108.9 0 0.0 0 0.0 0 0.0 0 0.0 5 34
230 A 231 GLY G T T 3 TS+ 0 0 92.1 -5.9 -180.0 141.2 88.6 67.9 0 0.0 0 0.0 0 0.0 0 0.0 4 31
231 A 232 ASP D t < T - 0 0 -67.0 161.0 177.7 -86.5 65.0 102.9 228 -2.1 0 0.0 0 0.0 0 0.0 8 38
232 A 233 ILE I - 0 0 -66.3 141.9 -178.2 -95.7 58.2 115.7 0 0.0 0 0.0 0 0.0 0 0.0 8 39
233 A 234 ASP D h > T - 0 0 -60.0 147.0 -178.1 -118.8 29.8 105.5 0 0.0 237 -2.2 0 0.0 0 0.0 6 35
234 A 235 HIS H H H > TS+ 0 0 -63.5 -23.2 179.0 60.9 110.3 40.8 0 0.0 238 -3.0 0 0.0 0 0.0 7 48
235 A 236 HIS H H H > TS+ 0 0 -67.5 -46.0 178.1 43.3 108.3 17.8 0 0.0 239 -2.1 0 0.0 0 0.0 6 41
236 A 237 THR T H H > TS+ 0 0 -61.1 -45.9 -179.1 49.0 116.5 19.1 0 0.0 240 -2.0 0 0.0 0 0.0 11 39
237 A 238 ARG R H H X TS+ 0 0 -62.4 -42.4 179.3 51.8 108.5 23.9 233 -2.2 241 -2.8 0 0.0 0 0.0 12 52
238 A 239 VAL V H H X TS+ 0 0 -61.6 -39.3 178.2 52.5 108.0 24.4 234 -3.0 242 -2.7 0 0.0 0 0.0 8 50
239 A 240 ARG R H H X TS+ 0 0 -60.9 -39.9 178.2 49.6 110.2 23.9 235 -2.1 243 -1.6 0 0.0 0 0.0 9 45
240 A 241 VAL V H H X TS+ 0 0 -64.3 -43.3 179.9 47.4 111.7 24.3 236 -2.0 244 -2.8 0 0.0 0 0.0 13 50
241 A 242 TYR Y H H X TS+ 0 0 -66.8 -39.1 -179.7 52.5 109.9 25.4 237 -2.8 245 -2.4 0 0.0 0 0.0 11 57
242 A 243 GLN Q H H < TS+ 0 0 -64.4 -32.2 -179.6 46.0 113.2 31.2 238 -2.7 0 0.0 0 0.0 0 0.0 9 47
243 A 244 GLU E H H < > TS+ 0 0 -75.7 -47.2 -177.3 44.8 114.8 18.0 239 -1.6 246 -1.0 0 0.0 0 0.0 10 39
244 A 245 ILE I H H < > TS+ 0 0 -70.0 -29.3 -179.7 67.4 99.3 34.8 240 -2.8 247 -2.5 0 0.0 0 0.0 12 51
245 A 246 ILE I G h < > TS+ 0 0 -61.9 -21.5 179.3 63.3 94.6 36.8 241 -2.4 248 -1.1 0 0.0 0 0.0 10 47
246 A 247 LYS K G G < TS+ 0 0 -77.1 -9.8 179.8 64.7 91.4 53.4 243 -1.0 0 0.0 0 0.0 0 0.0 8 34
247 A 248 ARG R G G < TS+ 0 0 -95.5 7.7 177.2 92.0 84.2 72.5 244 -2.5 0 0.0 0 0.0 0 0.0 7 38
248 A 249 TYR Y S g < TS- 0 0 -94.8 158.1 179.0 -85.5 95.5 129.6 245 -1.1 0 0.0 0 0.0 0 0.0 10 37
249 A 250 PRO P t > T - 0 0 -63.3 141.4 -177.2 -84.6 64.7 114.3 0 0.0 252 -1.8 0 0.0 0 0.0 7 26
250 A 251 ASN N T T 3 TS+ 0 0 -47.7 131.9 176.8 11.3 112.1 99.4 0 0.0 0 0.0 0 0.0 0 0.0 6 20
251 A 252 GLY G T T 3 TS+ 0 0 79.2 8.8 -178.1 99.5 99.9 56.4 0 0.0 0 0.0 0 0.0 0 0.0 4 31
252 A 253 ILE I S e < TS+ 0 0 -97.5 -28.2 -174.7 42.5 77.7 38.4 249 -1.8 218 -3.3 0 0.0 0 0.0 8 41
253 A 254 ALA A E E Bh - 218 0 -128.1 158.4 179.8 -166.1 51.5 148.6 0 0.0 0 0.0 0 0.0 0 0.0 12 53
254 A 255 PHE F E E Bh - 219 0 -138.8 138.4 178.4 -146.2 14.7 172.7 218 -2.2 220 -2.7 0 0.0 0 0.0 8 57
255 A 256 LEU L E E Bh + 220 0 -109.4 128.2 176.7 163.8 24.5 159.4 0 0.0 0 0.0 0 0.0 0 0.0 11 62
256 A 257 SER S e - 0 0 -140.9 141.6 -177.0 -127.5 31.1 173.8 220 -2.1 0 0.0 0 0.0 0 0.0 12 59
257 A 258 LEU L - 0 0 -96.5 137.6 -179.3 -149.0 12.7 138.7 171 -2.7 0 0.0 0 0.0 0 0.0 11 64
258 A 259 LEU L B B b - 223 0 -107.6 114.9 -179.5 -153.1 3.8 156.3 222 -3.0 224 -2.6 0 0.0 260 -0.9 11 68
259 A 260 PRO P + 0 0 -78.5 37.6 -179.4 146.4 45.4 92.1 0 0.0 0 0.0 0 0.0 0 0.0 12 60
260 A 261 LEU L - 0 0 -76.8 147.2 175.0 -139.6 49.1 113.4 258 -0.9 226 -1.1 0 0.0 262 -0.8 11 59
261 A 262 ALA A B B c - 226 0 -104.8 101.8 179.4 -148.7 27.3 157.3 0 0.0 0 0.0 0 0.0 0 0.0 11 57
262 A 263 MET M - 0 0 -68.1 153.3 176.2 -158.4 14.7 111.0 226 -2.8 0 0.0 260 -0.8 0 0.0 12 65
263 A 264 ARG R - 0 0 -105.8 -5.6 -175.7 -125.5 35.7 62.6 0 0.0 0 0.0 0 0.0 0 0.0 8 67
264 A 265 MET M + 0 0 58.6 42.7 -177.0 153.4 59.0 27.0 0 0.0 0 0.0 0 0.0 0 0.0 12 63
265 A 266 SER S h > > T - 0 0 -99.4 38.4 176.5 -154.1 33.4 95.6 0 0.0 269 -1.7 0 0.0 268 -0.8 14 67
266 A 267 GLY G H H > 3 TS+ 0 0 35.9 -117.8 -177.8 12.9 72.2 86.4 292 -2.2 270 -2.7 0 0.0 0 0.0 14 58
267 A 268 ASP D H H > 3 TS+ 0 0 -58.3 -47.9 177.0 46.7 132.2 25.0 0 0.0 271 -1.8 0 0.0 0 0.0 16 53
268 A 269 ARG R H H > < TS+ 0 0 -60.3 -39.1 -178.9 50.0 114.2 25.0 265 -0.8 272 -2.1 0 0.0 0 0.0 12 61
269 A 270 GLU E H H X TS+ 0 0 -67.0 -36.7 178.6 56.8 105.4 26.8 265 -1.7 273 -3.4 0 0.0 0 0.0 14 67
270 A 271 ALA A H H X TS+ 0 0 -59.9 -41.5 179.3 46.7 108.4 26.6 266 -2.7 274 -1.9 0 0.0 0 0.0 15 67
271 A 272 VAL V H H X TS+ 0 0 -65.9 -43.1 -179.7 50.2 112.3 22.7 267 -1.8 275 -1.9 0 0.0 0 0.0 13 66
272 A 273 TRP W H H X TS+ 0 0 -61.6 -43.2 176.8 52.6 109.4 22.0 268 -2.1 276 -2.4 0 0.0 0 0.0 11 75
273 A 274 HIS H H H X TS+ 0 0 -58.6 -39.9 179.8 53.4 105.9 30.7 269 -3.4 277 -2.6 0 0.0 0 0.0 8 79
274 A 275 ALA A H H X TS+ 0 0 -63.0 -41.2 -178.9 47.3 110.4 23.3 270 -1.9 278 -1.7 0 0.0 0 0.0 11 73
275 A 276 ILE I H H X TS+ 0 0 -66.7 -42.7 -179.8 49.7 111.9 24.5 271 -1.9 279 -2.2 0 0.0 0 0.0 12 68
276 A 277 ILE I H H X TS+ 0 0 -63.3 -45.2 179.7 49.2 110.4 23.1 272 -2.4 280 -2.1 0 0.0 0 0.0 11 82
277 A 278 ARG R H H < >TS+ 0 0 -64.8 -32.4 177.4 53.5 109.5 32.3 273 -2.6 282 -2.6 0 0.0 0 0.0 11 70
278 A 279 LYS K H H < >5TS+ 0 0 -66.2 -43.0 178.3 50.3 107.6 23.0 274 -1.7 281 -1.5 0 0.0 0 0.0 16 65
279 A 280 ASN N H H < 35TS+ 0 0 -60.5 -37.8 179.4 55.1 107.4 25.4 275 -2.2 0 0.0 0 0.0 0 0.0 17 61
280 A 281 TYR Y T h < 35TS- 0 0 -74.8 -3.7 177.0 -98.0 127.1 61.4 276 -2.1 0 0.0 0 0.0 0 0.0 13 71
281 A 282 GLY G T T <5TS+ 0 0 105.0 1.0 -179.6 143.8 72.0 62.0 278 -1.5 0 0.0 0 0.0 0 0.0 14 65
282 A 283 ALA A t T - 0 0 -75.2 173.7 177.6 -85.0 25.7 92.5 286 -0.7 291 -1.4 0 0.0 0 0.0 8 58
289 A 290 ARG R T T 3 TS+ 0 0 -75.2 131.7 -177.8 2.2 122.2 132.9 0 0.0 0 0.0 0 0.0 0 0.0 9 47
290 A 291 ASP D T T > TS- 0 0 52.6 42.8 179.0 -157.8 98.9 24.5 306 -2.9 293 -2.2 0 0.0 0 0.0 13 41
291 A 292 HIS H T T < TS- 0 0 -54.0 131.2 179.7 -4.7 70.2 106.8 288 -1.4 0 0.0 0 0.0 0 0.0 12 54
292 A 293 ALA A T T 3 TS+ 0 0 53.0 28.1 179.9 155.5 98.7 40.1 0 0.0 266 -2.2 0 0.0 0 0.0 11 61
293 A 294 GLY G t < T - 0 0 -88.2 134.9 -180.0 -147.5 44.9 133.8 290 -2.2 0 0.0 0 0.0 0 0.0 11 54
294 A 295 PRO P - 0 0 -82.3 10.4 178.4 -125.6 42.7 67.3 0 0.0 0 0.0 0 0.0 0 0.0 11 52
295 A 296 GLY G - 0 0 95.6 -131.3 -179.9 -20.9 52.1 138.4 0 0.0 303 -2.3 0 0.0 304 -0.5 8 42
296 A 297 LYS K B B D - 302 0 -121.0 152.2 178.4 -122.6 58.6 153.0 0 0.0 0 0.0 0 0.0 0 0.0 9 31
297 A 298 ASN N t > T - 0 0 -82.5 -175.2 -178.3 -80.7 46.7 98.6 301 -3.1 300 -2.0 0 0.0 0 0.0 11 28
298 A 299 SER S T T 3 TS+ 0 0 -57.5 -32.6 180.0 55.2 130.3 38.2 0 0.0 0 0.0 0 0.0 0 0.0 6 17
299 A 300 LYS K T T 3 TS- 0 0 -84.7 8.9 179.6 -107.4 121.4 72.0 0 0.0 0 0.0 0 0.0 0 0.0 5 14
300 A 301 GLY G S t < TS+ 0 0 78.2 10.5 179.4 138.1 74.1 53.7 297 -2.0 0 0.0 0 0.0 0 0.0 6 16
301 A 302 VAL V - 0 0 -94.5 142.9 -179.2 -109.5 57.3 135.9 0 0.0 297 -3.1 0 0.0 0 0.0 7 20
302 A 303 ASP D B B D - 296 0 -66.2 135.9 176.6 -148.2 9.9 114.1 0 0.0 0 0.0 0 0.0 0 0.0 8 32
303 A 304 PHE F S S S+ 0 0 -70.7 -31.9 179.2 14.8 89.6 30.2 295 -2.3 0 0.0 0 0.0 0 0.0 12 43
304 A 305 TYR Y S S S- 0 0 -137.5 154.9 176.9 -104.6 87.7 164.2 295 -0.5 0 0.0 0 0.0 0 0.0 10 44
305 A 306 GLY G t > > T - 0 0 -74.4 149.1 -179.5 -114.0 39.2 121.2 0 0.0 308 -1.4 0 0.0 309 -0.5 8 34
306 A 307 PRO P T T 4 3 TS+ 0 0 -57.5 -24.3 179.5 33.8 114.7 43.4 0 0.0 290 -2.9 0 0.0 0 0.0 8 33
307 A 308 TYR Y T h > 3 TS+ 0 0 -114.3 9.8 179.8 100.9 86.4 74.4 0 0.0 311 -2.2 0 0.0 0 0.0 8 36
308 A 309 ASP D H H > < TS+ 0 0 -60.0 -41.4 -179.0 50.3 84.6 24.7 305 -1.4 312 -2.6 0 0.0 0 0.0 11 37
309 A 310 ALA A H H X TS+ 0 0 -63.0 -52.1 179.0 47.3 110.4 17.5 305 -0.5 313 -2.4 0 0.0 0 0.0 18 49
310 A 311 GLN Q H H > TS+ 0 0 -59.1 -35.0 -179.7 48.3 115.2 28.2 0 0.0 314 -1.7 0 0.0 0 0.0 13 43
311 A 312 GLU E H H X TS+ 0 0 -74.7 -38.5 -179.6 48.3 110.3 26.0 307 -2.2 315 -1.9 0 0.0 0 0.0 9 36
312 A 313 LEU L H H X TS+ 0 0 -66.0 -45.1 179.8 48.1 113.7 19.7 308 -2.6 316 -1.0 0 0.0 0 0.0 11 47
313 A 314 VAL V H H < > TS+ 0 0 -61.5 -38.4 179.9 53.6 109.4 27.1 309 -2.4 316 -0.6 0 0.0 0 0.0 11 50
314 A 315 GLU E H H < > TS+ 0 0 -65.0 -34.9 -179.9 58.4 102.6 29.3 310 -1.7 317 -1.2 0 0.0 0 0.0 7 38
315 A 316 SER S H H < 3 TS+ 0 0 -65.5 -25.4 -179.5 40.7 111.8 38.2 311 -1.9 0 0.0 0 0.0 0 0.0 7 29
316 A 317 TYR Y T h X X TS+ 0 0 -104.1 8.2 -178.3 115.1 81.0 72.6 312 -1.0 319 -2.2 313 -0.6 320 -1.1 8 38
317 A 318 LYS K H H > < T + 0 0 -48.3 -36.7 -177.4 58.2 69.6 37.7 314 -1.2 321 -0.6 0 0.0 0 0.0 11 36
318 A 319 HIS H H H 4 3 TS+ 0 0 -77.7 -5.8 178.9 32.5 115.5 54.3 0 0.0 0 0.0 0 0.0 0 0.0 6 22
319 A 320 GLU E H H 4 < TS+ 0 0 -126.4 0.5 -179.0 79.7 98.3 64.3 316 -2.2 0 0.0 0 0.0 0 0.0 5 32
320 A 321 LEU L H H < TS- 0 0 -78.1 -31.9 179.6 -152.6 74.2 33.9 316 -1.1 0 0.0 0 0.0 0 0.0 9 51
321 A 322 ASP D h < T + 0 0 64.1 26.9 174.4 94.3 64.9 38.3 317 -0.6 0 0.0 0 0.0 0 0.0 9 42
322 A 323 ILE I S S S- 0 0 -145.8 128.8 -177.9 -119.9 78.0 164.0 0 0.0 0 0.0 0 0.0 0 0.0 13 47
323 A 324 GLU E E E Bi - 284 0 -76.2 131.0 178.9 -144.4 19.1 124.0 283 -2.4 285 -2.5 0 0.0 325 -0.5 9 54
324 A 325 VAL V E E Bi - 285 0 -95.8 128.0 -178.9 -147.2 12.2 145.2 0 0.0 0 0.0 0 0.0 0 0.0 9 56
325 A 326 VAL V E E Bi - 286 0 -97.4 133.8 179.9 -104.0 25.9 144.1 285 -2.7 287 -0.9 323 -0.5 0 0.0 10 53
326 A 327 PRO P - 0 0 -56.9 138.7 -179.8 -118.4 33.6 104.8 0 0.0 328 -0.6 0 0.0 0 0.0 6 48
327 A 328 PHE F + 0 0 -83.1 115.8 179.9 178.1 33.5 135.6 0 0.0 329 -0.5 0 0.0 0 0.0 8 49
328 A 329 ARG R - 0 0 -119.2 81.9 179.6 -161.1 12.7 138.8 326 -0.6 0 0.0 0 0.0 0 0.0 8 40
329 A 330 MET M e - 0 0 -62.2 144.2 -179.0 -146.5 13.4 110.0 327 -0.5 342 -2.8 0 0.0 0 0.0 10 47
330 A 331 VAL V E E CJ - 341 0 -112.6 164.3 178.9 -161.6 12.2 135.6 0 0.0 0 0.0 0 0.0 0 0.0 11 43
331 A 332 THR T E E CJ - 340 0 -140.8 158.1 -177.1 -98.3 28.3 161.9 340 -2.3 340 -2.1 0 0.0 0 0.0 12 41
332 A 333 TYR Y E E CJE - 339 353 -86.2 135.1 179.1 -157.1 20.8 129.5 353 -1.2 353 -2.1 0 0.0 0 0.0 13 38
333 A 334 LEU L E E CJ >>T - 338 0 -109.1 95.9 -179.4 -168.3 6.4 152.4 338 -3.0 336 -1.4 0 0.0 338 -1.1 13 33
334 A 335 PRO P G G >5TS+ 0 0 -48.3 -57.7 -178.1 51.7 85.1 19.7 0 0.0 337 -1.7 0 0.0 0 0.0 9 27
335 A 336 ASP D G G 35TS+ 0 0 -59.2 -14.6 179.4 37.2 119.1 52.5 0 0.0 0 0.0 0 0.0 0 0.0 5 19
336 A 337 GLU E G G <5TS- 0 0 -118.4 2.7 179.4 -134.3 98.7 69.1 333 -1.4 0 0.0 0 0.0 0 0.0 5 20
337 A 338 ASP D T g <5TS+ 0 0 43.9 52.1 179.7 91.2 71.1 27.7 334 -1.7 0 0.0 0 0.0 0 0.0 7 23
338 A 339 ARG R E E CJ T - 330 0 -58.8 129.8 -179.9 -135.2 33.0 112.6 0 0.0 344 -2.2 0 0.0 0 0.0 10 39
342 A 343 ILE I G e > TS+ 0 0 -60.9 -22.3 179.9 63.0 104.6 42.0 329 -2.8 345 -0.7 0 0.0 0 0.0 9 32
343 A 344 ASP D G G 3 TS+ 0 0 -80.9 0.6 -178.3 49.0 104.3 61.5 0 0.0 0 0.0 0 0.0 0 0.0 6 23
344 A 345 GLN Q G G < TS+ 0 0 -117.7 -1.0 -178.2 78.8 100.8 66.3 341 -2.2 0 0.0 0 0.0 0 0.0 6 24
345 A 346 ILE I g < T + 0 0 -111.2 173.2 179.8 25.8 69.7 124.9 342 -0.7 0 0.0 0 0.0 0 0.0 9 25
346 A 347 ASP D S S S+ 0 0 76.1 -160.8 -179.8 92.0 72.6 109.5 0 0.0 348 -2.5 0 0.0 0 0.0 7 22
347 A 348 THR T S S S+ 0 0 65.7 -35.5 179.7 60.1 93.9 88.4 0 0.0 0 0.0 0 0.0 0 0.0 5 13
348 A 349 THR T S S S- 0 0 -106.4 21.2 179.9 -99.2 127.3 86.6 346 -2.5 0 0.0 0 0.0 0 0.0 5 14
349 A 350 LYS K + 0 0 57.7 82.2 -179.6 170.4 60.2 9.2 0 0.0 0 0.0 0 0.0 0 0.0 5 15
350 A 351 THR T - 0 0 -129.8 124.0 -179.0 -127.3 31.6 169.9 0 0.0 0 0.0 0 0.0 0 0.0 8 24
351 A 352 ARG R + 0 0 -69.6 132.9 179.8 178.8 33.1 116.6 0 0.0 0 0.0 0 0.0 0 0.0 8 24
352 A 353 THR T - 0 0 -134.9 155.5 179.4 -152.8 14.0 161.7 0 0.0 0 0.0 0 0.0 0 0.0 8 31
353 A 354 LEU L B B E + 332 0 -131.3 145.7 177.4 159.7 18.6 167.7 332 -2.1 332 -1.2 0 0.0 0 0.0 8 35
354 A 355 ASN N - 0 0 -157.6 158.4 178.7 -140.9 28.4 170.0 0 0.0 0 0.0 0 0.0 0 0.0 7 38
355 A 356 ILE I - 0 0 -126.6 118.4 -179.5 -145.2 23.6 170.8 0 0.0 0 0.0 0 0.0 0 0.0 7 35
356 A 357 SER S h > T - 0 0 -76.1 168.9 178.5 -105.7 28.3 104.7 0 0.0 360 -2.7 0 0.0 0 0.0 6 28
357 A 358 GLY G H H > TS+ 0 0 -61.9 -40.9 -179.6 52.7 121.9 26.1 0 0.0 361 -2.6 0 0.0 0 0.0 6 30
358 A 359 THR T H H > TS+ 0 0 -61.7 -44.6 179.3 45.7 111.7 22.0 0 0.0 362 -2.0 0 0.0 0 0.0 6 20
359 A 360 GLU E H H > TS+ 0 0 -65.3 -42.7 179.8 51.5 111.2 25.5 0 0.0 363 -2.8 0 0.0 0 0.0 8 24
360 A 361 LEU L H H X TS+ 0 0 -59.3 -46.3 -179.4 49.7 110.7 18.0 356 -2.7 364 -2.4 0 0.0 0 0.0 10 41
361 A 362 ARG R H H X TS+ 0 0 -57.8 -42.3 -179.4 50.9 110.2 28.3 357 -2.6 365 -1.9 0 0.0 0 0.0 8 36
362 A 363 ARG R H H X TS+ 0 0 -61.2 -52.1 179.8 49.6 109.5 16.9 358 -2.0 366 -2.4 0 0.0 0 0.0 8 26
363 A 364 ARG R H H X >TS+ 0 0 -56.5 -41.0 178.5 48.8 111.3 28.7 359 -2.8 368 -2.5 0 0.0 367 -1.4 11 36
364 A 365 LEU L H H < 5TS+ 0 0 -68.3 -33.9 -179.8 52.6 110.4 29.7 360 -2.4 0 0.0 0 0.0 0 0.0 13 39
365 A 366 ARG R H H < 5TS+ 0 0 -68.7 -39.9 -179.1 33.8 118.8 26.0 361 -1.9 390 -2.7 0 0.0 0 0.0 11 38
366 A 367 VAL V H H < 5TS- 0 0 -93.3 -6.9 -179.2 -114.1 110.8 57.8 362 -2.4 0 0.0 0 0.0 0 0.0 9 32
367 A 368 GLY G T h < 5T + 0 0 78.6 30.8 -179.5 164.0 59.2 36.4 363 -1.4 0 0.0 0 0.0 0 0.0 10 32
368 A 369 GLY G t > T - 0 0 -55.2 141.2 179.4 -131.4 6.0 98.6 0 0.0 375 -1.9 0 0.0 374 -1.3 7 36
372 A 373 GLU E T T 4 3 TS+ 0 0 -67.9 -22.8 178.1 65.5 105.8 42.2 0 0.0 0 0.0 0 0.0 0 0.0 7 36
373 A 374 TRP W T T 4 3 TS+ 0 0 -69.6 -20.5 -179.4 41.1 109.3 41.0 0 0.0 0 0.0 0 0.0 0 0.0 7 38
374 A 375 PHE F T T 4 < TS- 0 0 -91.3 -45.5 -178.1 -0.1 131.4 27.4 371 -1.3 201 -2.0 0 0.0 202 -0.5 12 46
375 A 376 SER S S t < TS- 0 0 -149.5 140.8 179.4 -99.2 78.7 175.9 371 -1.9 0 0.0 0 0.0 0 0.0 13 50
376 A 377 TYR Y h > > T - 0 0 -56.8 135.8 -179.8 -125.6 35.4 107.8 0 0.0 380 -2.3 0 0.0 379 -1.1 11 37
377 A 378 PRO P H H > 3 TS+ 0 0 -54.3 -37.5 179.3 56.9 109.7 31.4 0 0.0 381 -2.6 0 0.0 0 0.0 8 36
378 A 379 GLU E H H > 3 TS+ 0 0 -64.8 -28.8 177.6 47.4 109.1 35.7 0 0.0 382 -1.0 0 0.0 0 0.0 7 34
379 A 380 VAL V H H > < TS+ 0 0 -74.9 -46.2 178.7 50.9 110.5 23.1 376 -1.1 383 -2.1 0 0.0 0 0.0 12 43
380 A 381 VAL V H H X TS+ 0 0 -56.9 -41.9 -179.6 56.2 106.3 24.7 376 -2.3 384 -2.4 0 0.0 0 0.0 10 48
381 A 382 LYS K H H X TS+ 0 0 -58.5 -39.2 179.5 49.3 107.0 29.4 377 -2.6 385 -1.8 0 0.0 0 0.0 8 38
382 A 383 ILE I H H X TS+ 0 0 -66.5 -44.5 -179.6 50.3 110.0 23.6 378 -1.0 386 -2.0 0 0.0 0 0.0 11 39
383 A 384 LEU L H H X TS+ 0 0 -63.7 -37.6 179.4 51.2 109.5 28.1 379 -2.1 387 -1.9 0 0.0 0 0.0 11 49
384 A 385 ARG R H H < TS+ 0 0 -67.0 -38.4 179.9 52.5 108.3 28.9 380 -2.4 0 0.0 0 0.0 0 0.0 11 40
385 A 386 GLU E H H < TS+ 0 0 -63.9 -42.4 -179.6 39.6 115.4 26.0 381 -1.8 0 0.0 0 0.0 0 0.0 7 38
386 A 387 SER S H H < TS+ 0 0 -78.4 -25.8 -178.8 34.0 127.8 41.2 382 -2.0 0 0.0 0 0.0 0 0.0 7 39
387 A 388 ASN N S h < TS- 0 0 -128.7 69.6 -179.5 -167.3 86.5 128.7 383 -1.9 0 0.0 0 0.0 0 0.0 8 45
388 A 389 PRO P - 0 0 -60.3 152.2 -179.8 -102.5 24.9 99.2 0 0.0 0 0.0 0 0.0 0 0.0 11 42
389 A 390 PRO P g > T - 0 0 -71.8 164.5 -176.8 -88.8 42.7 103.8 0 0.0 392 -2.5 0 0.0 0 0.0 11 45
390 A 391 ARG R G G > TS+ 0 0 -44.8 -42.9 179.9 60.5 122.6 38.2 365 -2.7 393 -1.6 0 0.0 0 0.0 12 42
391 A 392 PRO P G G 3 TS+ 0 0 -62.5 -15.4 -179.6 39.7 114.6 43.0 0 0.0 0 0.0 0 0.0 0 0.0 9 45
392 A 393 LYS K G G < TS+ 0 0 -112.3 3.9 -179.6 103.5 96.6 70.4 389 -2.5 0 0.0 0 0.0 0 0.0 10 44
393 A 394 GLN Q g < T - 0 0 -89.0 153.1 177.4 -127.6 65.6 125.7 390 -1.6 0 0.0 0 0.0 0 0.0 13 47
394 A 395 GLY G + 0 0 -87.5 175.7 179.5 173.6 30.5 109.5 446 -0.9 0 0.0 0 0.0 0 0.0 15 50
395 A 396 PHE F E E Dk - 451 0 -169.4 170.0 175.8 -133.3 22.6 166.7 450 -2.3 452 -2.6 0 0.0 0 0.0 13 58
396 A 397 SER S E E Dkl - 452 471 -138.6 140.0 175.2 -157.7 4.5 176.2 470 -2.1 472 -2.9 0 0.0 398 -0.5 13 65
397 A 398 ILE I E E Dkl - 453 472 -115.0 121.8 -179.0 -157.1 16.3 169.5 452 -2.1 454 -2.7 0 0.0 399 -0.5 12 70
398 A 399 VAL V E E Dkl - 454 473 -104.4 123.1 179.3 -133.4 14.7 152.9 472 -3.0 474 -2.6 396 -0.5 400 -0.8 13 68
399 A 400 LEU L E E D l - 0 474 -76.0 110.0 -178.0 -129.3 35.6 130.9 454 -3.2 0 0.0 397 -0.5 0 0.0 14 59
400 A 401 GLY G e > T - 0 0 -61.0 159.1 179.6 -109.9 13.2 92.6 474 -2.9 403 -1.3 398 -0.8 0 0.0 12 49
401 A 402 ASN N T T 3 TS+ 0 0 -57.1 -31.5 -178.8 67.7 111.3 37.4 0 0.0 0 0.0 0 0.0 0 0.0 7 39
402 A 403 SER S T T 3 TS+ 0 0 -62.8 -27.6 -177.4 111.2 74.5 39.7 0 0.0 0 0.0 0 0.0 0 0.0 8 33
403 A 404 LEU L t < T + 0 0 -56.9 131.1 177.8 174.3 36.0 103.5 400 -1.3 0 0.0 0 0.0 0 0.0 11 38
404 A 405 THR T + 0 0 -112.2 -7.8 177.5 98.6 52.2 63.6 487 -2.2 0 0.0 0 0.0 0 0.0 7 29
405 A 406 VAL V S S S- 0 0 -72.2 164.0 177.9 -73.7 98.4 110.2 487 -0.8 0 0.0 0 0.0 0 0.0 10 33
406 A 407 SER S h > T - 0 0 -60.2 124.2 179.0 -158.8 40.7 117.1 0 0.0 410 -2.2 0 0.0 0 0.0 6 32
407 A 408 ARG R H H > TS+ 0 0 -74.5 -33.1 179.8 53.5 91.9 33.1 0 0.0 411 -2.0 0 0.0 0 0.0 11 38
408 A 409 GLU E H H > TS+ 0 0 -66.4 -45.5 -179.8 41.7 113.5 21.3 0 0.0 412 -2.1 0 0.0 0 0.0 7 33
409 A 410 GLN Q H H > TS+ 0 0 -70.0 -42.3 179.9 50.5 114.0 24.0 0 0.0 413 -2.7 0 0.0 0 0.0 7 30
410 A 411 LEU L H H X TS+ 0 0 -64.6 -34.3 -179.8 49.0 112.0 27.1 406 -2.2 414 -2.2 0 0.0 0 0.0 11 46
411 A 412 SER S H H X TS+ 0 0 -68.3 -44.5 178.1 47.5 112.5 24.0 407 -2.0 415 -2.5 0 0.0 0 0.0 12 48
412 A 413 ILE I H H X TS+ 0 0 -62.4 -42.7 180.0 51.5 111.3 26.5 408 -2.1 416 -2.7 0 0.0 0 0.0 9 36
413 A 414 ALA A H H X TS+ 0 0 -63.9 -40.6 179.7 48.2 110.6 24.0 409 -2.7 417 -2.2 0 0.0 0 0.0 11 39
414 A 415 LEU L H H X TS+ 0 0 -65.0 -45.4 -179.7 47.8 113.0 19.4 410 -2.2 418 -3.0 0 0.0 0 0.0 10 51
415 A 416 LEU L H H X TS+ 0 0 -59.1 -53.4 179.3 46.0 113.4 18.8 411 -2.5 419 -2.6 0 0.0 0 0.0 12 43
416 A 417 SER S H H < TS+ 0 0 -56.5 -42.8 179.9 49.8 114.5 25.8 412 -2.7 0 0.0 0 0.0 0 0.0 8 29
417 A 418 THR T H H X > TS+ 0 0 -61.8 -52.0 -179.8 46.8 111.6 15.3 413 -2.2 420 -1.7 0 0.0 421 -0.6 9 37
418 A 419 PHE F H H < > TS+ 0 0 -59.3 -38.4 -178.9 63.5 103.2 29.1 414 -3.0 421 -1.1 0 0.0 0 0.0 9 46
419 A 420 LEU L T h < 3 TS+ 0 0 -63.0 -14.1 178.9 65.8 92.8 48.3 415 -2.6 0 0.0 0 0.0 0 0.0 8 30
420 A 421 GLN Q T T 4 < TS+ 0 0 -73.1 -34.6 -175.4 83.8 86.0 31.3 417 -1.7 0 0.0 0 0.0 0 0.0 6 25
421 A 422 PHE F S t < < TS- 0 0 -70.5 149.1 179.1 -129.1 78.0 106.9 418 -1.1 0 0.0 417 -0.6 0 0.0 7 30
422 A 423 GLY G + 0 0 -78.0 -155.9 175.3 95.1 66.4 82.6 0 0.0 0 0.0 0 0.0 0 0.0 6 25
423 A 424 GLY G S S S- 0 0 107.7 -39.0 -179.7 -103.0 86.9 95.2 0 0.0 0 0.0 0 0.0 0 0.0 6 28
424 A 425 GLY G + 0 0 95.4 0.9 178.2 151.2 64.2 59.7 0 0.0 0 0.0 0 0.0 0 0.0 4 29
425 A 426 ARG R - 0 0 -68.0 142.9 178.6 -130.5 42.8 117.6 0 0.0 0 0.0 0 0.0 0 0.0 10 39
426 A 427 TYR Y e - 0 0 -95.3 135.1 -179.0 -157.7 24.2 144.0 0 0.0 451 -2.7 0 0.0 0 0.0 7 36
427 A 428 TYR Y E E Dm + 451 0 -117.0 149.3 179.8 172.6 14.5 147.4 0 0.0 0 0.0 0 0.0 0 0.0 11 46
428 A 429 LYS K E E Dm - 452 0 -155.7 137.1 175.4 -131.9 33.9 163.9 451 -2.2 453 -2.6 0 0.0 430 -0.7 9 43
429 A 430 ILE I E E Dm - 453 0 -85.2 120.4 -173.8 -158.1 39.2 142.3 0 0.0 431 -0.6 0 0.0 0 0.0 11 42
430 A 431 PHE F e - 0 0 -115.6 111.4 179.1 -168.8 16.1 152.9 453 -2.5 432 -0.6 428 -0.7 0 0.0 8 46
431 A 432 GLU E + 0 0 -97.1 119.3 -179.4 172.9 10.2 148.9 429 -0.6 0 0.0 0 0.0 0 0.0 7 39
432 A 433 HIS H t > T - 0 0 -98.0 -21.5 -179.7 -152.8 23.9 49.6 430 -0.6 435 -2.5 0 0.0 0 0.0 9 36
433 A 434 ASN N T T 3 T - 0 0 49.7 34.7 179.2 -71.6 65.7 35.2 0 0.0 0 0.0 0 0.0 0 0.0 6 30
434 A 435 ASN N T T 3 TS+ 0 0 56.0 25.2 178.2 146.2 95.0 45.5 0 0.0 436 -0.5 0 0.0 0 0.0 9 29
435 A 436 LYS K h > X T - 0 0 -95.2 127.4 -179.4 -142.4 49.6 144.1 432 -2.5 439 -2.8 0 0.0 438 -1.7 7 24
436 A 437 THR T H H > 3 TS+ 0 0 -54.0 -38.8 -179.7 60.7 99.9 32.2 434 -0.5 440 -2.3 0 0.0 0 0.0 8 25
437 A 438 GLU E H H 4 3 TS+ 0 0 -63.6 -22.6 178.6 35.0 114.9 43.7 0 0.0 0 0.0 0 0.0 0 0.0 6 22
438 A 439 LEU L H H 4 X TS+ 0 0 -97.4 -39.8 -179.5 56.1 113.9 36.0 435 -1.7 441 -1.6 0 0.0 0 0.0 10 33
439 A 440 LEU L H H < > TS+ 0 0 -60.1 -37.5 -178.5 59.3 100.9 30.7 435 -2.8 442 -1.3 0 0.0 0 0.0 11 41
440 A 441 SER S T h < 3 TS+ 0 0 -69.9 -9.7 -180.0 61.5 98.1 51.9 436 -2.3 0 0.0 0 0.0 0 0.0 10 34
441 A 442 LEU L T h > < TS+ 0 0 -91.1 -11.9 -179.2 86.2 79.5 54.0 438 -1.6 445 -2.2 0 0.0 0 0.0 8 40
442 A 443 ILE I H H > < TS+ 0 0 -55.4 -49.4 -179.6 42.7 92.6 19.5 439 -1.3 446 -2.3 0 0.0 0 0.0 11 50
443 A 444 GLN Q H H > TS+ 0 0 -71.4 -18.9 177.9 60.4 109.1 41.4 0 0.0 447 -2.7 0 0.0 0 0.0 10 40
444 A 445 ASP D H H > TS+ 0 0 -71.5 -42.3 177.1 42.9 108.5 24.2 0 0.0 448 -1.0 0 0.0 0 0.0 8 32
445 A 446 PHE F H H < >TS+ 0 0 -67.8 -42.1 179.5 49.3 115.5 23.6 441 -2.2 450 -2.2 0 0.0 0 0.0 12 37
446 A 447 ILE I H H < >5TS+ 0 0 -62.4 -43.1 178.5 52.7 109.2 19.3 442 -2.3 449 -2.2 0 0.0 394 -0.9 15 44
447 A 448 GLY G H H < 35TS+ 0 0 -62.7 -23.9 179.1 56.5 104.4 40.7 443 -2.7 0 0.0 0 0.0 0 0.0 9 38
448 A 449 SER S T h < 35TS- 0 0 -87.4 2.8 -179.9 -106.7 123.7 65.7 444 -1.0 0 0.0 0 0.0 0 0.0 8 34
449 A 450 GLY G T T <5TS+ 0 0 87.2 5.9 -177.2 145.0 71.9 62.2 446 -2.2 0 0.0 0 0.0 0 0.0 12 42
450 A 451 SER S e T - 0 0 -69.6 150.6 -179.1 -114.3 39.8 112.9 0 0.0 462 -1.9 0 0.0 0 0.0 7 26
460 A 461 ASP D G G > TS+ 0 0 -55.1 -34.4 -178.5 62.1 113.2 37.7 0 0.0 463 -1.3 0 0.0 0 0.0 5 22
461 A 462 ASP D G G 3 TS+ 0 0 -77.9 9.2 179.5 54.8 101.9 66.5 0 0.0 0 0.0 0 0.0 0 0.0 5 16
462 A 463 LYS K G G > X TS+ 0 0 -114.2 -8.0 179.9 97.8 77.1 64.3 459 -1.9 465 -2.3 0 0.0 466 -0.7 10 24
463 A 464 ASP D G G 4 X TS+ 0 0 -46.8 -46.5 -178.3 61.9 75.4 30.1 460 -1.3 466 -1.6 0 0.0 0 0.0 9 30
464 A 465 SER S G G 4 3 TS+ 0 0 -56.9 -22.0 -179.7 61.7 96.3 44.4 0 0.0 0 0.0 0 0.0 0 0.0 6 23
465 A 466 VAL V G G 4 < TS+ 0 0 -77.1 -25.4 -178.9 62.4 98.7 39.2 462 -2.3 467 -0.6 0 0.0 0 0.0 8 26
466 A 467 VAL V S g < < TS- 0 0 -108.5 120.6 178.8 -135.8 80.4 152.3 463 -1.6 0 0.0 462 -0.7 0 0.0 10 41
467 A 468 GLY G - 0 0 -64.7 155.2 -177.6 -136.0 13.5 107.4 465 -0.6 0 0.0 0 0.0 0 0.0 8 34
468 A 469 LYS K t > T + 0 0 -93.7 -7.0 -178.7 123.0 60.5 53.2 0 0.0 471 -1.8 0 0.0 0 0.0 5 35
469 A 470 GLN Q T T 3 TS- 0 0 -59.8 122.7 178.0 -9.6 91.2 108.6 0 0.0 0 0.0 0 0.0 0 0.0 6 39
470 A 471 ASN N T e 3 TS+ 0 0 62.6 22.8 177.1 132.2 97.8 46.2 0 0.0 396 -2.1 0 0.0 472 -0.6 8 47
471 A 472 VAL V E E Dl < T - 396 0 -106.5 123.7 -175.5 -167.1 37.7 158.3 468 -1.8 0 0.0 0 0.0 0 0.0 10 52
472 A 473 TYR Y E E Dl - 397 0 -120.8 131.2 -179.6 -141.7 13.3 161.1 396 -2.9 398 -3.0 470 -0.6 474 -0.5 11 54
473 A 474 LEU L E E Dl - 398 0 -93.4 123.3 178.3 -159.7 7.0 141.7 0 0.0 482 -2.5 0 0.0 481 -1.4 11 50
474 A 475 LEU L E E Dln + 399 482 -100.0 113.8 -177.0 118.8 43.9 154.4 398 -2.6 400 -2.9 472 -0.5 0 0.0 13 54
475 A 476 ASP D E E D n S- 0 483 -166.8 169.5 178.8 -108.3 72.5 168.1 482 -1.7 484 -2.2 0 0.0 0 0.0 15 46
476 A 477 THR T S S S+ 0 0 -81.1 -23.4 -178.6 104.9 83.3 42.1 0 0.0 0 0.0 0 0.0 0 0.0 13 32
477 A 478 SER S S t > TS- 0 0 -59.5 150.3 -179.1 -121.2 81.9 100.5 0 0.0 480 -1.8 0 0.0 0 0.0 8 25
478 A 479 SER S T T 3 TS+ 0 0 -66.9 -14.5 178.6 63.2 113.7 48.6 0 0.0 0 0.0 0 0.0 0 0.0 5 19
479 A 480 SER S T T 3 TS+ 0 0 -83.1 -13.6 -179.4 114.7 79.3 51.7 0 0.0 0 0.0 0 0.0 0 0.0 4 22
480 A 481 ALA A t < T - 0 0 -58.0 143.6 177.4 -145.9 63.0 103.5 477 -1.8 0 0.0 0 0.0 0 0.0 11 32
481 A 482 ASP D S S S+ 0 0 -75.9 -37.0 178.5 32.1 101.0 31.4 473 -1.4 483 -0.6 0 0.0 0 0.0 8 36
482 A 483 ILE I E E Dn S- 474 0 -121.2 100.9 -177.0 -148.9 93.8 159.1 473 -2.5 475 -1.7 0 0.0 0 0.0 11 44
483 A 484 GLN Q E E Dn - 475 0 -82.6 126.6 179.5 -142.4 2.1 127.3 481 -0.6 0 0.0 0 0.0 0 0.0 10 36
484 A 485 LEU L e - 0 0 -83.1 145.0 -179.9 -137.7 11.6 125.8 475 -2.2 0 0.0 0 0.0 0 0.0 11 39
485 A 486 GLU E S S S- 0 0 -70.7 -33.3 178.7 -10.5 87.2 31.5 0 0.0 0 0.0 0 0.0 0 0.0 6 30
486 A 487 SER S S t > TS- 0 0 -159.4 163.1 -178.3 -103.0 72.0 169.0 0 0.0 489 -1.5 0 0.0 0 0.0 6 29
487 A 488 ALA A T T 3 TS+ 0 0 -63.9 -24.9 -179.0 40.2 120.8 43.3 0 0.0 404 -2.2 0 0.0 405 -0.8 11 32
488 A 489 ASP D T T 3 TS+ 0 0 -114.1 26.7 179.3 153.8 78.2 87.9 0 0.0 0 0.0 0 0.0 0 0.0 7 28
489 A 490 GLU E t < T - 0 0 -52.1 139.5 -179.5 -89.2 59.9 104.3 486 -1.5 0 0.0 0 0.0 0 0.0 10 32
490 A 491 PRO P h > > T - 0 0 -56.7 140.8 -178.3 -121.5 32.5 105.0 0 0.0 494 -2.1 0 0.0 493 -0.6 7 31
491 A 492 ILE I H H > 3 TS+ 0 0 -51.3 -43.8 -179.3 53.4 111.6 29.0 0 0.0 495 -2.8 0 0.0 0 0.0 9 37
492 A 493 SER S H H > 3 TS+ 0 0 -64.3 -35.5 178.3 48.3 110.0 27.6 0 0.0 496 -1.9 0 0.0 0 0.0 7 30
493 A 494 HIS H H H > < TS+ 0 0 -70.6 -36.1 179.2 49.8 111.7 29.1 490 -0.6 497 -1.9 0 0.0 0 0.0 8 31
494 A 495 ILE I H H X TS+ 0 0 -65.1 -44.0 -179.5 53.5 108.1 22.4 490 -2.1 498 -2.4 0 0.0 0 0.0 10 50
495 A 496 VAL V H H X TS+ 0 0 -57.3 -45.8 -179.5 49.1 108.9 20.5 491 -2.8 499 -2.8 0 0.0 0 0.0 12 50
496 A 497 GLN Q H H X TS+ 0 0 -63.6 -40.2 178.0 53.4 108.1 26.6 492 -1.9 500 -2.5 0 0.0 0 0.0 8 33
497 A 498 LYS K H H X TS+ 0 0 -58.2 -44.4 -178.2 45.5 112.3 21.6 493 -1.9 501 -1.8 0 0.0 0 0.0 9 41
498 A 499 VAL V H H X TS+ 0 0 -66.4 -46.5 179.9 49.1 112.4 20.3 494 -2.4 502 -2.6 0 0.0 0 0.0 9 54
499 A 500 VAL V H H X TS+ 0 0 -59.1 -45.8 -177.9 46.4 113.9 18.8 495 -2.8 503 -2.4 0 0.0 0 0.0 9 48
500 A 501 LEU L H H X TS+ 0 0 -69.0 -30.6 176.2 52.3 110.7 33.2 496 -2.5 504 -2.4 0 0.0 0 0.0 8 30
501 A 502 PHE F H H X TS+ 0 0 -66.8 -46.2 -179.9 47.7 111.3 19.6 497 -1.8 505 -1.7 0 0.0 0 0.0 9 38
502 A 503 LEU L H H < >TS+ 0 0 -63.4 -37.4 178.5 47.9 113.1 28.4 498 -2.6 507 -1.9 0 0.0 508 -0.8 10 49
503 A 504 GLU E H H < >5TS+ 0 0 -67.9 -43.7 -178.5 53.1 109.3 22.3 499 -2.4 506 -1.9 0 0.0 0 0.0 10 38
504 A 505 ASP D H H < 35TS+ 0 0 -61.6 -28.4 179.6 48.7 110.7 35.9 500 -2.4 0 0.0 0 0.0 0 0.0 7 25
505 A 506 ASN N T h < 35TS- 0 0 -95.4 8.5 174.7 -109.7 119.7 71.8 501 -1.7 0 0.0 0 0.0 0 0.0 8 35
506 A 507 GLY G T T <5TS+ 0 0 86.7 -2.1 -178.7 117.0 84.9 67.8 503 -1.9 0 0.0 0 0.0 0 0.0 10 36
507 A 508 PHE F S t 5555< 5-turns
3-turns >33< >3>X3<< >33X33< >33X3><3< >33< >33X>3<<>33< 3-turns
bridge-2 D bridge-2
bridge-1 aaaa BB A A CCC bridge-1
sheets AAAA AA AAA A sheets
4-turns >>44<< >>>>XX<<<< >>>>XXXXX<<<< >>>>XXXX<<<< >>44<< 4-turns
summary tTTtS hHHHHhTThHHHHHHHHhtTTtEEEEehHHHHHHHHHHHhTTTTTteEE hHHHHHHHHHHhBtTTt B S EEEhHHHHhTttTTeE summary
sequence PAPHGGILQDLIARDALKKNELLSEAQSSDILVWNLTPRQLCDIELILNGGFSPLTGFLNENDYSSVVTDSRLADGTLWTIPITLDVDEAFANQIKPDTR sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand EEEEETTTEEEEEEEEEEEE HHHHHHHHH S TTSHHHHHHHHTS SEEEEEEEEES S TTT HHHHHHHHHHTT EEEEEESS Kabs/Sand
chirality ------++-+-----+--+----++++++++--+-++-+++++++++--+---+----+----+-+++++++--++++++++++-++++----+++---- chirality
bends SSSS SSSSSSSSS S SSSSSSSSSSSSS S S S SSS SSSSSSSSSSS SS bends
turns TTTTT TTTTTTTTTTT TTTTTTTTTTTTTT TTTTT TTTTTTTTTTTTTT T turns
5-turns >5555< >5555< >5555< 5-turns
3-turns >33< >33< >33X33< >33< >>3<< > 3-turns
bridge-2 DDDDD EEEEE*EEE EEEEEEEE gg bridge-2
bridge-1 aaaa DD*DDDD CCC BB ffffff bridge-1
sheets AAAAA AAAAAAAAAAAA AAAAAAAAA BBBBBB sheets
4-turns >444< >>>>XXX<<<< >>>>XX<<<< >444< >>>>XXXX<<<< > 4-turns
summary EEEEETTTEEEEEEEEEEEE hHHHHHHHHHhStTThHHHHHHHHht SEEEEEEEEEe StTTTt hHHHHHHHHHHhTt eEEEEEESS h summary
sequence IALFQDDEIPIAILTVQDVYKPNKTIEAERVFRGDPEHPAISYLFNVAGDYYVGGSLEAIQLPQHYDYPGLRKTPAQLRLEFQSRQWDRVVAFQTRNPMH sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand HHHHHHHHHHHHHHT EEEEEEB SB STT HHHHHHHHHHHGGGS TTSEEE B B HHHHHHHHHHHHHHTT SEEE TTTT B TTS Kabs/Sand
chirality +++++++++++++-+----+--++-+--++---++++++++++++++--+++--+---+----+-++++++++++++++-+-+-----+--+-----+-+ chirality
bends SSSSSSSSSSSSSS SS SSS SSSSSSSSSSSSSSS SSS SSSSSSSSSSSSSSSS S SSSS SSS bends
turns TTTTTTTTTTTTTTTT TTTT TTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTT TTTTTT TTTT turns
5-turns >5555< >5555< 5-turns
3-turns 33< >33< >33< >>><<<>33< >33< >33< >3><3< >33< 3-turns
bridge-2 hhh iii bridge-2
bridge-1 ffffffb c hhh b c gg D bridge-1
sheets BBBBBB BBB BBB sheets
4-turns >>>XXXXXXXX<<<< >>>>XXXXX<<<< >>>>XXXXXXXX<<<< 4-turns
summary HHHHHHHHHHHHHHhtEEEEEEe SB tTTt hHHHHHHHHHHHhGGgtTTeEEEe B B hHHHHHHHHHHHHHHhTteEEEetTTTTt BtTTt summary
sequence RAHRELTVRAAREANAKVLIHPVVGLTKPGDIDHHTRVRVYQEIIKRYPNGIAFLSLLPLAMRMSGDREAVWHAIIRKNYGASHFIVGRDHAGPGKNSKG sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand BSS TTHHHHHHHHTHHHH SEEE EEEEGGGTEEEEGGG SSS B HHHHHHHHHHT TTTS HHHHHHHHHHS GGG EEEEE Kabs/Sand
chirality --+--++++++++++++++-+-----+------++-+----++++++-+-+-+---+++++++++-+----++---++++++++++---+++-+------ chirality
bends SS SSSSSSSSSSS SSS S SSSSS SSS SSS SSSSSSSSSS SSSS SSSSSSSSSSS SSS bends
turns TTTTTTTTTTTTTTTTT TTTTTT TTTTT TTTTTTTTTTTTT TTTTTTTTTTTTTTTTT TTTTT T turns
5-turns >5555< >5555< 5-turns
3-turns >33< >>3X<3< >>3<< >>3<< >33< >33< >>3<< > 3-turns
bridge-2 E llll bridge-2
bridge-1 D iii JJJJ JJJJ E kkkk bridge-1
sheets BBB CCCC CCCC DDDDD sheets
4-turns >4>>X>XX<<44<< >>>>XXXX<<<< >444<>>>>XXXX<<<< 4-turns
summary BSStThHHHHHHHHhHHHHhSEEE eEEEEGGGgEEEEeGGgSSS B hHHHHHHHHHHht tTTTthHHHHHHHHHHh gGGGg EEEEEe summary
sequence VDFYGPYDAQELVESYKHELDIEVVPFRMVTYLPDEDRYAPIDQIDTTKTRTLNISGTELRRRLRVGGEIPEWFSYPEVVKILRESNPPRPKQGFSIVLG sequence
310 320 330 340 350 360 370 380 390 400
author author
Kabs/Sand TT S HHHHHHHHHHHHTTS S EEE TT HHHHTTHHHHHHTT EEEESS GGGGGGS TTEEEEESSTT SEE SSTT HHHHHHHHHH Kabs/Sand
chirality ++++--++++++++++++++-+-+--+---+--+-++++++++++++-+-----+----++++++--+-+---+-+-++-+-----++--++++++++++ chirality
bends SS S SSSSSSSSSSSSSSS S S SSSSSSSSSSSSSS SS SSSSSSS SS SSSSS SS SSSS SSSSSSSSSS bends
turns TTT TTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTT TTTTTTTT TTTT TTTT TTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns 33< >>3<< >33X33X>3<< >33< >>3XX3<< >33< >33< >33<>33< 3-turns
bridge-2 mmm nn bridge-2
bridge-1 mmm kkkk llll nn bridge-1
sheets DDD DDDD DDDDD DD sheets
4-turns >>>>XXXXXX>44<<>>>><<<< >444< >>>>XXXXXXX 4-turns
summary TTt ShHHHHHHHHHHHHhTt S eEEEe tTThHHHHhhHHHHHHhTeEEEESS gGGGGGGg tTeEEEEEStTTtSEEeStTTthHHHHHHHHHH summary
sequence NSLTVSREQLSIALLSTFLQFGGGRYYKIFEHNNKTELLSLIQDFIGSGSGLIIPDQWEDDKDSVVGKQNVYLLDTSSSADIQLESADEPISHIVQKVVL sequence
410 420 430 440 450 460 470 480 490 500
author author
Kabs/Sand HHHHTTS Kabs/Sand
chirality ++++-++- chirality
bends SSSSSSS bends
turns TTTTTTT turns
5-turns >5555< 5-turns
3-turns >33< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns X<<<< 4-turns
summary HHHHhTt summary
sequence FLEDNGFFVF sequence
510