Secondary structure calculation program - copyright by David Keith Smith, 1989
1kwhA.pdb
1KWH PROTEIN BINDING MOL_ID: 1; MOL_ID: 1;
Sequence length - 492
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 LYS K 0 0 999.9 132.6 179.4 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 3 18
2 A 2 GLU E t > T - 0 0 -116.2 154.4 -179.9 -120.0 999.9 148.2 0 0.0 5 -1.8 0 0.0 0 0.0 7 22
3 A 3 ALA A T T 3 TS+ 0 0 -62.8 -19.5 -178.9 53.0 116.0 44.7 0 0.0 0 0.0 0 0.0 0 0.0 5 22
4 A 4 THR T T T 3 TS+ 0 0 -98.2 3.6 179.5 135.9 75.9 68.1 0 0.0 0 0.0 0 0.0 0 0.0 7 40
5 A 5 TRP W t < T - 0 0 -56.0 129.8 -179.8 -167.6 35.8 107.0 2 -1.8 0 0.0 0 0.0 0 0.0 10 36
6 A 6 VAL V S S S+ 0 0 -87.8 -35.2 -178.5 26.8 72.5 36.9 39 -2.8 0 0.0 0 0.0 0 0.0 10 42
7 A 7 THR T - 0 0 -131.0 148.5 178.9 -139.8 64.2 163.5 39 -1.0 0 0.0 0 0.0 0 0.0 10 34
8 A 8 ASP D S S S+ 0 0 -77.4 -21.5 179.1 53.5 96.6 42.5 0 0.0 0 0.0 0 0.0 0 0.0 6 24
9 A 9 LYS K S S S- 0 0 -116.1 131.9 -179.8 -99.1 104.0 162.3 0 0.0 0 0.0 0 0.0 0 0.0 5 23
10 A 10 PRO P - 0 0 -49.6 125.2 -179.7 -156.7 41.0 101.4 0 0.0 0 0.0 0 0.0 0 0.0 8 29
11 A 11 LEU L E E Aa - 41 0 -113.9 125.0 179.0 -160.6 6.6 159.3 40 -2.3 42 -3.3 0 0.0 13 -0.5 8 39
12 A 12 THR T E E Aa - 42 0 -105.4 124.5 179.8 -170.0 10.4 154.8 0 0.0 0 0.0 0 0.0 0 0.0 8 43
13 A 13 LEU L E E Aa - 43 0 -116.2 143.1 178.7 -129.9 20.0 155.0 42 -3.3 44 -3.8 11 -0.5 0 0.0 11 49
14 A 14 LYS K E E Aa - 44 0 -88.3 129.8 -179.9 -174.5 31.0 138.6 0 0.0 70 -2.2 0 0.0 69 -1.6 11 43
15 A 15 ILE I E E Aab - 45 70 -131.4 137.7 175.6 -153.6 22.4 169.7 44 -3.4 46 -2.2 0 0.0 17 -0.7 15 57
16 A 16 HIS H E E A b + 0 71 -106.7 109.4 178.6 158.5 31.1 157.6 70 -2.7 72 -2.1 0 0.0 0 0.0 13 64
17 A 17 MET M E E A b + 0 72 -136.8 116.0 179.2 160.8 7.2 161.5 15 -0.7 25 -1.0 0 0.0 0 0.0 12 64
18 A 18 HIS H E E AC + 24 0 -133.0 120.2 -178.3 172.1 17.2 172.3 72 -0.9 0 0.0 0 0.0 0 0.0 17 52
19 A 19 PHE F E E >AC > T + 23 0 -135.8 156.6 179.6 13.2 52.9 161.1 23 -2.4 23 -2.4 0 0.0 22 -1.8 11 48
20 A 20 ARG R T T 4 3 TS- 0 0 53.4 31.8 178.8 -82.9 112.4 38.1 0 0.0 0 0.0 0 0.0 0 0.0 7 38
21 A 21 ASP D T T 4 3 TS+ 0 0 47.6 32.0 -178.2 54.8 126.7 41.7 0 0.0 0 0.0 0 0.0 0 0.0 10 31
22 A 22 LYS K T T 4 < TS+ 0 0 -158.2 -27.8 -176.6 68.2 89.0 60.6 19 -1.8 0 0.0 0 0.0 0 0.0 12 32
23 A 23 TRP W E E T - 0 0 -112.1 110.2 -178.2 -161.8 11.9 158.3 0 0.0 29 -2.2 0 0.0 0 0.0 8 45
27 A 27 GLU E T T 3 TS+ 0 0 -71.0 -1.2 177.7 64.9 90.7 57.2 25 -0.6 0 0.0 0 0.0 0 0.0 9 38
28 A 28 ASN N T T 3 TS+ 0 0 -95.1 -2.1 179.2 120.3 76.0 64.3 0 0.0 0 0.0 0 0.0 0 0.0 6 28
29 A 29 TRP W S h > < TS- 0 0 -62.6 135.7 179.1 -131.1 71.1 113.1 26 -2.2 33 -2.6 0 0.0 0 0.0 10 38
30 A 30 PRO P H H > TS+ 0 0 -56.0 -37.0 -179.9 48.9 111.2 28.4 0 0.0 34 -2.2 0 0.0 0 0.0 10 37
31 A 31 VAL V H H > TS+ 0 0 -71.2 -36.5 178.6 52.6 108.2 29.9 381 -2.1 35 -2.6 0 0.0 0 0.0 13 51
32 A 32 ALA A H H > TS+ 0 0 -63.8 -42.1 179.4 48.5 110.8 23.4 0 0.0 36 -2.0 0 0.0 0 0.0 14 54
33 A 33 LYS K H H X TS+ 0 0 -62.8 -44.8 -179.7 47.2 112.8 22.6 29 -2.6 37 -2.4 0 0.0 0 0.0 10 38
34 A 34 GLU E H H X TS+ 0 0 -65.1 -38.9 179.6 55.1 108.9 28.5 30 -2.2 38 -2.1 0 0.0 0 0.0 10 47
35 A 35 SER S H H X TS+ 0 0 -60.7 -44.6 179.7 45.6 110.3 23.4 31 -2.6 39 -2.1 0 0.0 0 0.0 13 59
36 A 36 PHE F H H X TS+ 0 0 -64.5 -45.8 179.5 53.5 110.5 21.1 32 -2.0 40 -3.1 0 0.0 0 0.0 11 52
37 A 37 ARG R H H < TS+ 0 0 -56.3 -38.2 -178.1 41.2 115.4 29.0 33 -2.4 0 0.0 0 0.0 0 0.0 9 38
38 A 38 LEU L H H < TS+ 0 0 -84.1 -27.6 -178.4 24.7 129.2 40.0 34 -2.1 0 0.0 0 0.0 0 0.0 10 45
39 A 39 THR T H H < TS- 0 0 -110.8 -19.9 -177.8 -128.8 90.9 50.6 35 -2.1 6 -2.8 0 0.0 7 -1.0 13 45
40 A 40 ASN N S h < TS+ 0 0 74.5 18.8 177.9 117.7 74.1 47.5 36 -3.1 11 -2.3 0 0.0 0 0.0 14 40
41 A 41 VAL V E E Aa - 11 0 -120.2 126.8 -179.2 -163.2 48.1 169.0 0 0.0 0 0.0 0 0.0 0 0.0 14 47
42 A 42 LYS K E E Aa - 12 0 -112.7 138.8 179.2 -143.0 9.0 153.5 11 -3.3 13 -3.3 0 0.0 0 0.0 11 48
43 A 43 LEU L E E Aa - 13 0 -104.3 130.4 -179.9 -158.2 8.9 150.1 0 0.0 45 -0.5 0 0.0 0 0.0 11 53
44 A 44 GLN Q E E Aa - 14 0 -109.5 123.1 -179.0 -131.9 17.3 159.4 13 -3.8 15 -3.4 0 0.0 46 -0.5 10 38
45 A 45 SER S E E Aa + 15 0 -80.6 120.9 178.1 169.1 30.4 130.1 43 -0.5 0 0.0 0 0.0 0 0.0 12 42
46 A 46 VAL V e + 0 0 -108.3 7.4 179.9 108.7 47.5 74.5 15 -2.2 0 0.0 44 -0.5 0 0.0 9 40
47 A 47 ALA A S S S- 0 0 -82.7 160.2 -179.0 -107.6 76.6 114.9 0 0.0 49 -0.8 0 0.0 0 0.0 11 44
48 A 48 ASN N t > T - 0 0 -96.4 105.7 179.9 -162.6 20.1 141.7 0 0.0 51 -1.7 0 0.0 0 0.0 8 36
49 A 49 LYS K T T 3 TS+ 0 0 -50.5 -35.2 -177.7 58.6 89.0 37.1 47 -0.8 0 0.0 0 0.0 0 0.0 8 30
50 A 50 ALA A T T 3 TS+ 0 0 -73.3 -19.8 179.7 102.0 81.1 46.6 0 0.0 0 0.0 0 0.0 0 0.0 5 24
51 A 51 ALA A t < T - 0 0 -66.2 144.5 -178.2 -165.3 52.7 112.5 48 -1.7 0 0.0 0 0.0 0 0.0 9 27
52 A 52 THR T + 0 0 -115.0 8.0 -179.1 68.3 69.4 73.1 0 0.0 0 0.0 0 0.0 0 0.0 6 23
53 A 53 ASN N h > T - 0 0 -132.6 95.0 -178.4 -173.0 56.6 148.0 0 0.0 57 -2.3 0 0.0 0 0.0 8 27
54 A 54 SER S H H > TS+ 0 0 -53.8 -48.7 -178.7 50.7 85.4 28.0 0 0.0 58 -1.9 0 0.0 0 0.0 12 41
55 A 55 GLN Q H H > TS+ 0 0 -61.4 -35.0 179.1 49.8 111.2 33.3 0 0.0 59 -1.6 0 0.0 0 0.0 8 41
56 A 56 GLU E H H > TS+ 0 0 -70.2 -43.6 179.8 53.9 107.0 24.6 0 0.0 60 -2.3 0 0.0 0 0.0 7 34
57 A 57 GLN Q H H X TS+ 0 0 -60.3 -34.2 179.1 56.0 104.6 30.8 53 -2.3 61 -1.6 0 0.0 0 0.0 12 41
58 A 58 PHE F H H X TS+ 0 0 -62.2 -47.6 -179.3 47.7 108.8 15.6 54 -1.9 62 -2.5 0 0.0 0 0.0 9 57
59 A 59 ASN N H H X TS+ 0 0 -60.4 -48.5 179.8 52.5 107.4 23.4 55 -1.6 63 -3.2 0 0.0 0 0.0 8 39
60 A 60 LEU L H H X TS+ 0 0 -57.6 -33.4 178.9 48.2 112.6 31.5 56 -2.3 64 -2.5 0 0.0 0 0.0 8 26
61 A 61 MET M H H X TS+ 0 0 -70.1 -49.0 -179.7 48.8 111.2 19.8 57 -1.6 65 -0.7 0 0.0 0 0.0 10 42
62 A 62 MET M H H < > TS+ 0 0 -56.9 -47.5 178.8 42.0 116.7 23.2 58 -2.5 65 -1.0 0 0.0 0 0.0 9 43
63 A 63 ALA A H H < 3 TS+ 0 0 -62.3 -52.8 179.3 73.3 100.1 14.0 59 -3.2 0 0.0 0 0.0 0 0.0 6 23
64 A 64 SER S H H < 3 TS- 0 0 -32.5 -27.4 179.9 -151.6 88.8 48.2 60 -2.5 66 -1.1 0 0.0 0 0.0 7 21
65 A 65 GLY G h < < T + 0 0 74.3 -35.4 179.4 105.2 67.6 90.0 62 -1.0 67 -1.3 61 -0.7 0 0.0 6 25
66 A 66 ASP D - 0 0 -81.4 95.2 -177.6 -167.6 60.9 131.6 64 -1.1 0 0.0 0 0.0 0 0.0 6 27
67 A 67 LEU L - 0 0 -88.4 156.6 179.1 -134.7 14.8 115.2 65 -1.3 0 0.0 0 0.0 0 0.0 9 40
68 A 68 PRO P - 0 0 -92.7 -172.0 -179.5 -104.4 31.5 105.3 0 0.0 0 0.0 0 0.0 0 0.0 13 46
69 A 69 ASP D S e S+ 0 0 -83.3 -38.2 -178.8 23.8 101.3 30.8 14 -1.6 320 -2.1 0 0.0 0 0.0 13 51
70 A 70 VAL V E E AbD - 15 319 -132.9 142.3 178.5 -164.6 62.1 168.7 14 -2.2 16 -2.7 0 0.0 0 0.0 13 65
71 A 71 VAL V E E AbD + 16 318 -127.9 126.5 180.0 164.2 20.1 173.2 318 -1.8 318 -2.6 0 0.0 0 0.0 12 76
72 A 72 GLY G E E AbD + 17 317 -139.7 164.4 179.4 109.8 8.5 158.3 16 -2.1 18 -0.9 0 0.0 0 0.0 15 74
73 A 73 GLY G E E A D - 0 316 156.9 177.8 179.4 -61.6 56.9 156.9 316 -2.2 316 -2.2 386 -0.7 0 0.0 13 65
74 A 74 ASP D S S S+ 0 0 -92.4 152.1 178.5 14.9 107.7 128.5 0 0.0 0 0.0 0 0.0 0 0.0 11 49
75 A 75 ASN N S S S+ 0 0 55.3 42.5 -179.6 119.8 87.2 30.8 0 0.0 0 0.0 0 0.0 0 0.0 8 49
76 A 76 LEU L h > T + 0 0 -112.5 -5.3 -179.5 102.4 33.8 63.0 314 -2.0 80 -3.1 0 0.0 0 0.0 12 57
77 A 77 LYS K H H > TS+ 0 0 -42.8 -59.5 -179.5 47.8 83.5 24.9 314 -1.9 81 -2.3 0 0.0 0 0.0 11 59
78 A 78 ASP D H H > TS+ 0 0 -51.8 -46.7 180.0 44.3 115.8 26.0 0 0.0 82 -1.9 0 0.0 0 0.0 9 56
79 A 79 LYS K H H > TS+ 0 0 -69.6 -36.0 179.2 57.0 108.6 29.3 0 0.0 83 -2.7 0 0.0 0 0.0 8 59
80 A 80 PHE F H H X TS+ 0 0 -58.4 -45.5 -179.2 44.8 111.3 20.6 76 -3.1 84 -0.6 0 0.0 0 0.0 12 63
81 A 81 ILE I H H X TS+ 0 0 -68.2 -38.4 -179.6 43.2 116.5 32.1 77 -2.3 85 -1.6 0 0.0 0 0.0 12 59
82 A 82 GLN Q H H X TS+ 0 0 -76.1 -47.3 179.9 41.0 119.2 19.0 78 -1.9 86 -1.2 0 0.0 0 0.0 10 47
83 A 83 TYR Y H H < >TS+ 0 0 -74.5 -9.6 178.4 56.8 114.6 52.1 79 -2.7 88 -2.5 0 0.0 89 -1.1 10 50
84 A 84 GLY G H H < >5TS+ 0 0 -85.7 -38.1 -179.7 50.7 104.1 32.3 80 -0.6 87 -1.2 0 0.0 0 0.0 13 48
85 A 85 GLN Q H H < 35TS+ 0 0 -72.6 -23.3 177.2 52.2 107.8 41.1 81 -1.6 0 0.0 0 0.0 0 0.0 10 37
86 A 86 GLU E T h < 35TS- 0 0 -102.1 35.7 176.7 -101.7 126.0 96.3 82 -1.2 0 0.0 0 0.0 0 0.0 6 32
87 A 87 GLY G T T <5TS+ 0 0 64.3 11.5 179.6 113.8 91.5 62.6 84 -1.2 0 0.0 0 0.0 0 0.0 8 32
88 A 88 ALA A S t T + 0 0 -103.4 -8.2 -177.8 101.9 59.7 58.0 124 -3.4 96 -2.6 0 0.0 0 0.0 10 56
93 A 93 ASN N H H > TS+ 0 0 -43.5 -60.0 -179.2 33.5 91.4 27.9 0 0.0 97 -2.0 0 0.0 0 0.0 8 47
94 A 94 LYS K H H > TS+ 0 0 -67.5 -41.4 179.1 58.7 114.8 25.2 0 0.0 98 -1.9 0 0.0 0 0.0 7 32
95 A 95 LEU L H H > TS+ 0 0 -54.5 -37.8 -179.9 45.9 109.6 29.0 0 0.0 99 -2.2 0 0.0 0 0.0 11 39
96 A 96 ILE I H H X TS+ 0 0 -71.0 -51.1 -179.3 53.3 108.5 17.7 92 -2.6 100 -2.1 0 0.0 0 0.0 12 44
97 A 97 ASP D H H < TS+ 0 0 -55.7 -30.2 -177.8 31.2 121.6 38.0 93 -2.0 0 0.0 0 0.0 0 0.0 9 29
98 A 98 GLN Q H H < TS+ 0 0 -101.9 -30.8 -176.6 20.4 133.2 38.5 94 -1.9 0 0.0 0 0.0 0 0.0 7 25
99 A 99 TYR Y H H < TS+ 0 0 -123.2 2.1 -179.2 65.4 108.5 64.7 95 -2.2 0 0.0 0 0.0 0 0.0 9 35
100 A 100 ALA A h X T + 0 0 -128.8 78.3 -179.9 165.2 45.5 129.4 96 -2.1 104 -2.9 0 0.0 0 0.0 13 43
101 A 101 PRO P H H > TS+ 0 0 -57.3 -40.9 -179.0 48.6 80.2 29.4 0 0.0 105 -2.6 0 0.0 0 0.0 10 36
102 A 102 HIS H H H > TS+ 0 0 -69.0 -44.0 179.2 43.6 114.4 24.7 0 0.0 106 -1.9 0 0.0 0 0.0 10 41
103 A 103 ILE I H H > TS+ 0 0 -66.1 -44.3 179.4 52.6 114.6 20.2 0 0.0 107 -2.4 0 0.0 0 0.0 10 54
104 A 104 LYS K H H X TS+ 0 0 -54.9 -52.0 -179.2 45.2 110.7 22.4 100 -2.9 108 -2.0 0 0.0 0 0.0 10 41
105 A 105 ALA A H H X TS+ 0 0 -63.8 -36.1 179.2 56.5 109.9 30.7 101 -2.6 109 -2.0 0 0.0 0 0.0 8 33
106 A 106 PHE F H H X TS+ 0 0 -60.7 -49.8 -179.6 44.0 109.3 17.5 102 -1.9 110 -0.9 0 0.0 0 0.0 9 43
107 A 107 PHE F H H < TS+ 0 0 -62.4 -35.3 -179.9 59.5 109.2 30.6 103 -2.4 0 0.0 0 0.0 0 0.0 10 44
108 A 108 LYS K H H < TS+ 0 0 -60.0 -42.8 -179.7 33.5 115.0 26.6 104 -2.0 0 0.0 0 0.0 0 0.0 7 22
109 A 109 SER S H H < TS+ 0 0 -93.4 -2.3 179.6 46.4 124.7 62.3 105 -2.0 0 0.0 0 0.0 0 0.0 6 19
110 A 110 HIS H h X > T + 0 0 -135.4 57.9 -179.6 158.6 62.9 114.3 106 -0.9 113 -1.6 0 0.0 114 -1.4 8 31
111 A 111 PRO P H H > 3 TS+ 0 0 -50.7 -38.9 -179.6 63.2 71.5 33.2 0 0.0 115 -2.8 0 0.0 0 0.0 8 29
112 A 112 GLU E H H > 3 TS+ 0 0 -60.0 -30.7 178.5 51.1 101.4 35.0 0 0.0 116 -2.0 0 0.0 0 0.0 6 38
113 A 113 A VAL V H H > < TS+ 0 0 -71.6 -40.7 -179.9 50.3 110.2 23.1 110 -1.6 117 -1.2 0 0.0 0 0.0 10 53
114 A 114 GLU E H H X > TS+ 0 0 -62.1 -47.8 178.9 47.8 110.7 21.2 110 -1.4 118 -0.8 0 0.0 117 -0.6 9 55
115 A 115 ARG R H H < > TS+ 0 0 -56.5 -52.2 -178.1 58.3 107.1 15.8 111 -2.8 118 -1.6 0 0.0 0 0.0 9 47
116 A 116 ALA A H H < 3 TS+ 0 0 -50.7 -31.8 -178.6 40.1 110.9 42.2 112 -2.0 0 0.0 0 0.0 0 0.0 12 55
117 A 117 ILE I H H < < TS+ 0 0 -100.9 -1.4 -179.4 116.5 85.4 61.9 113 -1.2 0 0.0 114 -0.6 0 0.0 11 62
118 A 118 LYS K h < < T - 0 0 -71.2 127.8 178.6 -134.2 61.2 120.9 115 -1.6 0 0.0 114 -0.8 0 0.0 13 56
119 A 119 ALA A t > T - 0 0 -72.1 165.8 179.9 -96.5 33.6 105.7 123 -3.0 122 -2.3 0 0.0 0 0.0 12 54
120 A 120 PRO P T T 3 TS+ 0 0 -56.3 -28.8 179.2 59.5 125.2 35.7 0 0.0 0 0.0 0 0.0 0 0.0 11 46
121 A 121 ASP D T T 3 TS- 0 0 -80.6 6.2 179.3 -108.3 120.5 67.1 0 0.0 0 0.0 0 0.0 0 0.0 6 41
122 A 122 GLY G S t < TS+ 0 0 86.7 -8.7 179.7 128.2 78.7 70.2 119 -2.3 0 0.0 0 0.0 0 0.0 6 40
123 A 123 ASN N - 0 0 -82.5 158.6 177.8 -135.0 56.9 114.4 0 0.0 119 -3.0 0 0.0 125 -0.6 10 45
124 A 124 ILE I + 0 0 -111.8 113.6 -178.3 178.2 22.4 165.0 0 0.0 92 -3.4 0 0.0 0 0.0 12 60
125 A 125 TYR Y + 0 0 -100.7 3.7 178.4 21.2 60.6 67.9 123 -0.6 0 0.0 0 0.0 0 0.0 15 61
126 A 126 PHE F - 0 0 -164.8 157.0 177.5 -118.2 67.9 169.4 0 0.0 0 0.0 0 0.0 0 0.0 14 76
127 A 127 A ILE I E E AE - 317 0 -98.6 121.1 -178.8 -139.3 45.4 154.5 317 -2.3 317 -1.7 0 0.0 0 0.0 11 78
128 A 128 PRO P E E AE - 316 0 -86.1 165.7 176.2 -105.6 15.9 109.1 0 0.0 130 -0.7 0 0.0 0 0.0 14 69
129 A 129 TYR Y e - 0 0 -82.6 112.1 -179.8 -157.0 40.2 141.6 315 -1.7 313 -2.0 0 0.0 0 0.0 15 60
130 A 130 VAL V B B b - 390 0 -100.3 110.7 179.9 -152.4 5.5 151.2 389 -2.9 391 -3.1 128 -0.7 0 0.0 11 60
131 A 131 PRO P - 0 0 -77.0 161.2 179.3 -139.9 6.0 111.0 0 0.0 0 0.0 0 0.0 0 0.0 12 52
132 A 132 ASP D + 0 0 -122.6 148.4 -179.0 54.5 56.8 158.9 0 0.0 0 0.0 0 0.0 0 0.0 9 40
133 A 133 GLY G - 0 0 110.9 153.1 -179.0 -142.6 53.0 99.6 0 0.0 0 0.0 0 0.0 0 0.0 6 48
134 A 134 VAL V S S S+ 0 0 -119.5 -41.9 -178.9 79.8 71.4 44.3 0 0.0 309 -2.1 0 0.0 0 0.0 10 47
135 A 135 VAL V B B C + 308 0 -77.2 134.5 179.1 161.9 44.5 123.8 0 0.0 0 0.0 0 0.0 0 0.0 12 52
136 A 136 ALA A e + 0 0 -112.7 -100.0 178.8 7.3 58.6 59.2 307 -0.5 271 -1.1 0 0.0 0 0.0 11 59
137 A 137 ARG R E E BF + 270 0 -85.0 166.0 178.6 180.0 63.4 113.5 0 0.0 0 0.0 0 0.0 0 0.0 10 62
138 A 138 GLY G E E BF - 269 0 -153.8 168.7 179.3 -89.9 33.7 160.5 269 -2.2 269 -1.6 0 0.0 0 0.0 14 62
139 A 139 TYR Y E E BFG - 268 293 -92.6 133.7 178.9 -172.8 39.0 139.8 293 -0.7 293 -2.6 0 0.0 0 0.0 12 70
140 A 140 PHE F E E BFG - 267 292 -123.5 146.7 -179.1 -176.8 2.6 158.9 267 -2.8 267 -2.0 0 0.0 0 0.0 12 62
141 A 141 ILE I E E BFG - 266 291 -143.9 150.5 180.0 -99.1 36.4 170.1 291 -2.3 291 -2.6 0 0.0 143 -0.8 11 69
142 A 142 ARG R E E >B G T - 0 290 -70.9 107.9 179.4 -175.1 31.3 125.3 265 -1.8 146 -1.9 0 0.0 0 0.0 12 64
143 A 143 GLU E H H > TS+ 0 0 -72.3 -35.1 179.4 57.0 83.5 29.5 289 -2.7 147 -2.2 141 -0.8 0 0.0 10 47
144 A 144 ASP D H H > TS+ 0 0 -63.3 -33.8 179.1 46.9 108.5 31.3 289 -0.8 148 -2.7 0 0.0 0 0.0 10 44
145 A 145 TRP W H H > TS+ 0 0 -73.6 -42.5 178.6 50.7 110.1 23.9 0 0.0 149 -2.6 0 0.0 0 0.0 12 51
146 A 146 LEU L H H < >TS+ 0 0 -58.8 -35.0 -179.5 53.2 111.9 26.8 142 -1.9 151 -3.1 0 0.0 0 0.0 12 45
147 A 147 LYS K H H < >5TS+ 0 0 -62.5 -59.8 178.8 42.4 110.6 12.9 143 -2.2 150 -1.4 0 0.0 0 0.0 9 29
148 A 148 LYS K H H < 35TS+ 0 0 -50.9 -61.3 -179.3 45.9 117.4 15.3 144 -2.7 0 0.0 0 0.0 0 0.0 8 33
149 A 149 LEU L T h < 35TS- 0 0 -64.2 -1.8 178.5 -127.2 110.5 61.4 145 -2.6 0 0.0 0 0.0 0 0.0 10 33
150 A 150 ASN N T T <5T + 0 0 56.2 45.3 179.9 140.2 60.2 26.9 147 -1.4 0 0.0 0 0.0 0 0.0 7 26
151 A 151 LEU L t d TS- 297 0 -145.9 174.2 -178.2 -90.9 88.6 155.3 0 0.0 160 -2.4 0 0.0 0 0.0 11 35
157 A 157 ILE I H H > TS+ 0 0 -59.7 -31.4 178.8 57.9 121.2 34.3 297 -2.5 161 -2.1 0 0.0 0 0.0 13 42
158 A 158 ASP D H H > TS+ 0 0 -63.4 -51.6 179.9 40.3 110.6 17.0 0 0.0 162 -1.9 0 0.0 0 0.0 7 35
159 A 159 GLU E H H > TS+ 0 0 -66.0 -36.4 -179.8 60.4 110.1 29.7 0 0.0 163 -3.5 0 0.0 0 0.0 9 35
160 A 160 LEU L H H X TS+ 0 0 -55.7 -49.7 179.9 45.9 106.8 18.7 156 -2.4 164 -2.9 0 0.0 0 0.0 11 52
161 A 161 TYR Y H H X TS+ 0 0 -58.4 -45.5 179.8 50.8 113.1 21.9 157 -2.1 165 -2.1 0 0.0 0 0.0 8 49
162 A 162 THR T H H X TS+ 0 0 -57.0 -52.2 -179.7 46.2 112.5 18.7 158 -1.9 166 -2.0 0 0.0 0 0.0 8 39
163 A 163 VAL V H H X TS+ 0 0 -59.8 -46.6 -179.5 50.4 111.1 24.8 159 -3.5 167 -2.4 0 0.0 0 0.0 12 49
164 A 164 LEU L H H X TS+ 0 0 -63.6 -34.2 178.1 49.6 110.6 32.0 160 -2.9 168 -1.5 0 0.0 0 0.0 11 61
165 A 165 LYS K H H X TS+ 0 0 -70.1 -36.2 177.6 53.6 108.8 30.4 161 -2.1 169 -2.8 0 0.0 0 0.0 10 48
166 A 166 ALA A H H X TS+ 0 0 -60.4 -46.4 179.8 53.7 106.0 19.1 162 -2.0 170 -3.2 0 0.0 0 0.0 10 46
167 A 167 PHE F H H < TS+ 0 0 -55.7 -40.1 -178.8 38.3 116.1 29.9 163 -2.4 0 0.0 0 0.0 0 0.0 15 55
168 A 168 LYS K H H < TS+ 0 0 -83.7 -28.4 -177.7 34.3 126.5 36.9 164 -1.5 0 0.0 0 0.0 0 0.0 15 46
169 A 169 GLU E H H < TS+ 0 0 -97.0 -36.3 -177.4 54.7 110.8 34.0 165 -2.8 0 0.0 0 0.0 0 0.0 8 36
170 A 170 LYS K S h < TS- 0 0 -94.7 33.0 177.8 -122.7 97.2 90.5 166 -3.2 0 0.0 0 0.0 0 0.0 8 35
171 A 171 ASP D t > T - 0 0 30.8 71.5 179.9 -178.6 34.2 34.4 0 0.0 174 -1.1 0 0.0 0 0.0 14 35
172 A 172 PRO P T T 3 TS+ 0 0 -65.2 -36.6 179.4 50.6 83.6 27.4 0 0.0 0 0.0 0 0.0 0 0.0 10 47
173 A 173 ASN N T T 3 TS- 0 0 -77.1 -1.8 178.0 -144.8 103.1 57.2 0 0.0 0 0.0 0 0.0 0 0.0 8 42
174 A 174 GLY G t < T + 0 0 47.7 31.8 178.6 134.9 56.0 47.3 171 -1.1 0 0.0 0 0.0 0 0.0 6 31
175 A 175 ASN N S S S- 0 0 -94.0 27.5 179.1 -108.0 80.2 87.3 0 0.0 0 0.0 0 0.0 0 0.0 5 22
176 A 176 GLY G S S S+ 0 0 57.7 20.6 179.9 108.0 87.5 46.4 0 0.0 0 0.0 0 0.0 0 0.0 5 16
177 A 177 LYS K S S S- 0 0 -128.8 154.2 178.2 -129.8 75.0 157.1 0 0.0 179 -1.1 0 0.0 0 0.0 7 20
178 A 178 ALA A + 0 0 -96.6 62.6 -179.5 124.8 67.3 121.2 0 0.0 0 0.0 0 0.0 0 0.0 8 29
179 A 179 ASP D + 0 0 -101.4 1.2 -179.4 122.1 33.5 68.1 177 -1.1 0 0.0 0 0.0 0 0.0 7 37
180 A 180 GLU E - 0 0 -70.6 139.1 178.5 -163.3 44.0 113.7 0 0.0 0 0.0 0 0.0 0 0.0 15 51
181 A 181 VAL V E E Bh - 264 0 -124.0 98.5 -179.2 -162.4 4.6 153.7 263 -2.4 265 -0.7 0 0.0 0 0.0 14 53
182 A 182 PRO P E E B* S+ 0 0 -44.6 -61.7 -178.8 37.7 73.4 26.5 0 0.0 265 -1.4 0 0.0 266 -0.5 16 65
183 A 183 PHE F E E Bhe + 266 243 -105.3 124.1 177.6 160.5 66.3 150.4 242 -2.4 244 -2.1 0 0.0 0 0.0 12 69
184 A 184 A ILE I e + 0 0 -132.6 158.7 179.3 173.5 6.9 155.4 266 -2.3 0 0.0 0 0.0 0 0.0 15 60
185 A 185 ASP D - 0 0 -169.3 133.2 -179.3 -141.0 34.1 148.0 0 0.0 0 0.0 0 0.0 0 0.0 14 54
186 A 186 ARG R S S S+ 0 0 -71.8 -15.1 177.8 65.3 96.1 51.4 0 0.0 0 0.0 0 0.0 0 0.0 11 47
187 A 187 HIS H S g > TS- 0 0 -110.9 107.1 -179.5 -157.7 72.9 158.0 0 0.0 190 -2.1 0 0.0 0 0.0 7 45
188 A 188 PRO P G G > TS+ 0 0 -49.8 -43.3 -178.9 67.2 87.7 30.3 0 0.0 191 -2.5 0 0.0 0 0.0 10 44
189 A 189 ASP D G G > > TS+ 0 0 -54.8 -19.4 179.5 76.2 82.6 46.9 0 0.0 192 -1.0 0 0.0 193 -0.9 8 57
190 A 190 GLU E G G 4 < TS+ 0 0 -66.1 -18.9 -179.8 70.2 80.8 43.1 187 -2.1 0 0.0 0 0.0 0 0.0 9 64
191 A 191 A VAL V G G 4 X TS+ 0 0 -66.5 -34.6 179.2 49.1 97.8 28.6 188 -2.5 194 -0.9 0 0.0 0 0.0 9 67
192 A 192 PHE F G G 4 X TS+ 0 0 -73.3 -27.6 178.7 70.4 97.0 37.9 189 -1.0 195 -1.9 0 0.0 0 0.0 10 70
193 A 193 ARG R G G < > TS+ 0 0 -61.6 -17.3 180.0 80.6 79.4 46.8 189 -0.9 196 -1.9 0 0.0 0 0.0 10 72
194 A 194 LEU L G G X TS+ 0 0 -62.8 -24.1 -180.0 77.8 70.4 39.3 191 -0.9 197 -2.2 0 0.0 0 0.0 9 71
195 A 195 A VAL V G G X>TS+ 0 0 -60.1 -14.7 178.3 81.7 73.7 45.4 192 -1.9 198 -2.1 0 0.0 200 -1.9 15 62
196 A 196 ASN N G G X5TS+ 0 0 -55.3 -36.5 -178.4 67.0 79.4 29.9 193 -1.9 199 -1.9 0 0.0 0 0.0 13 61
197 A 197 PHE F G G <5TS+ 0 0 -64.3 -7.3 178.5 46.3 101.7 57.8 194 -2.2 299 -2.4 0 0.0 0 0.0 13 55
198 A 198 TRP W G G <5TS- 0 0 -124.7 30.0 178.1 -93.6 127.7 93.4 195 -2.1 0 0.0 0 0.0 0 0.0 12 45
199 A 199 GLY G T g <5TS+ 0 0 70.2 18.5 -179.9 124.4 86.5 50.0 196 -1.9 0 0.0 0 0.0 0 0.0 11 43
200 A 200 ALA A t TS- 0 0 -75.9 130.9 -179.2 -109.6 92.4 128.5 0 0.0 210 -0.8 0 0.0 205 -0.6 7 42
208 A 208 TYR Y T T 3 TS+ 0 0 -64.0 145.7 178.7 9.6 93.4 105.3 0 0.0 0 0.0 0 0.0 0 0.0 8 47
209 A 209 MET M T T 3 TS+ 0 0 55.6 40.8 -179.8 155.6 90.2 34.0 0 0.0 0 0.0 0 0.0 0 0.0 11 53
210 A 210 ASP D t < T - 0 0 -95.3 157.7 179.2 -104.4 45.1 125.4 207 -0.8 204 -1.1 0 0.0 0 0.0 11 52
211 A 211 PHE F - 0 0 -73.2 164.1 176.6 -156.2 34.5 107.1 0 0.0 0 0.0 0 0.0 0 0.0 12 55
212 A 212 TYR Y E E CI - 219 0 -138.4 163.6 -179.9 -114.8 15.8 158.1 219 -2.4 219 -2.5 0 0.0 214 -0.5 13 48
213 A 213 ILE I E E CI - 218 0 -104.7 127.9 179.2 -179.9 26.0 152.5 0 0.0 0 0.0 0 0.0 0 0.0 10 40
214 A 214 ASP D E E CI > TS- 217 0 -128.6 99.2 179.9 -26.9 76.6 152.6 217 -2.5 217 -0.7 212 -0.5 0 0.0 7 36
215 A 215 ASN N T T 3 TS- 0 0 62.8 52.6 179.5 -47.6 125.7 17.0 0 0.0 0 0.0 0 0.0 0 0.0 4 19
216 A 216 GLY G T T 3 TS+ 0 0 68.4 5.3 -179.5 121.0 115.6 58.0 0 0.0 0 0.0 0 0.0 0 0.0 5 28
217 A 217 ARG R E E CI < T - 214 0 -106.5 126.9 177.5 -135.3 62.0 151.7 214 -0.7 214 -2.5 0 0.0 219 -0.5 7 32
218 A 218 VAL V E E CI + 213 0 -79.0 123.5 179.4 166.2 38.2 133.3 0 0.0 0 0.0 0 0.0 0 0.0 12 45
219 A 219 LYS K E E CI - 212 0 -133.8 161.0 175.0 -130.2 36.5 155.8 212 -2.5 212 -2.4 217 -0.5 0 0.0 9 49
220 A 220 HIS H g > T - 0 0 -114.7 118.6 -179.2 -145.7 16.1 164.7 0 0.0 223 -2.1 0 0.0 0 0.0 11 57
221 A 221 PRO P G G > TS+ 0 0 -49.2 -37.1 -178.0 61.7 94.3 38.3 0 0.0 224 -1.1 0 0.0 0 0.0 15 55
222 A 222 TRP W G G 3 TS+ 0 0 -71.3 -10.2 180.0 55.0 100.8 53.1 0 0.0 0 0.0 0 0.0 0 0.0 10 67
223 A 223 ALA A G G < TS+ 0 0 -97.4 -10.5 -178.8 101.6 87.3 55.5 220 -2.1 0 0.0 0 0.0 0 0.0 8 58
224 A 224 GLU E S h > X TS- 0 0 -78.6 147.1 179.8 -129.4 76.2 117.2 221 -1.1 228 -1.0 0 0.0 227 -0.9 8 47
225 A 225 THR T H H > 3 TS+ 0 0 -63.2 -25.0 178.6 66.9 109.4 39.1 0 0.0 229 -1.9 0 0.0 0 0.0 6 34
226 A 226 ALA A H H > 3 TS+ 0 0 -61.0 -39.7 -179.4 52.6 97.6 25.3 0 0.0 230 -2.0 0 0.0 0 0.0 10 38
227 A 227 PHE F H H > < TS+ 0 0 -64.5 -34.3 179.5 56.7 105.0 32.5 224 -0.9 231 -2.6 0 0.0 0 0.0 14 53
228 A 228 ARG R H H X TS+ 0 0 -63.3 -48.6 -179.1 43.3 109.0 20.4 224 -1.0 232 -1.4 0 0.0 0 0.0 12 48
229 A 229 ASP D H H X TS+ 0 0 -67.6 -33.9 178.7 52.4 114.1 31.8 225 -1.9 233 -1.1 0 0.0 0 0.0 9 41
230 A 230 GLY G H H X TS+ 0 0 -67.5 -43.9 -179.4 52.5 106.3 22.9 226 -2.0 234 -2.1 0 0.0 0 0.0 15 48
231 A 231 MET M H H X TS+ 0 0 -62.7 -30.9 179.8 63.5 99.8 34.9 227 -2.6 235 -3.0 0 0.0 0 0.0 13 55
232 A 232 LYS K H H X TS+ 0 0 -59.5 -42.9 179.1 43.3 107.4 22.5 228 -1.4 236 -1.5 0 0.0 0 0.0 10 47
233 A 233 HIS H H H X TS+ 0 0 -68.3 -43.8 -179.4 52.4 112.4 22.9 229 -1.1 237 -2.5 0 0.0 0 0.0 9 50
234 A 234 VAL V H H X TS+ 0 0 -58.9 -43.3 179.9 49.7 109.3 23.8 230 -2.1 238 -2.0 0 0.0 0 0.0 13 61
235 A 235 ALA A H H X TS+ 0 0 -63.9 -35.0 179.6 51.5 109.7 32.1 231 -3.0 239 -2.1 0 0.0 0 0.0 12 48
236 A 236 GLN Q H H X TS+ 0 0 -68.1 -43.1 178.9 51.2 108.7 23.4 232 -1.5 240 -1.9 0 0.0 0 0.0 8 41
237 A 237 TRP W H H < >TS+ 0 0 -60.7 -38.8 -179.9 49.8 109.8 27.9 233 -2.5 242 -2.6 0 0.0 243 -0.8 10 52
238 A 238 TYR Y H H < >5TS+ 0 0 -66.2 -41.9 180.0 52.7 108.4 22.0 234 -2.0 241 -1.7 0 0.0 0 0.0 13 46
239 A 239 LYS K H H < 35TS+ 0 0 -61.3 -33.0 179.6 51.0 108.9 34.0 235 -2.1 0 0.0 0 0.0 0 0.0 9 34
240 A 240 GLU E T h < 35TS- 0 0 -86.1 2.8 179.3 -113.8 117.0 67.0 236 -1.9 0 0.0 0 0.0 0 0.0 7 33
241 A 241 GLY G T T <5TS+ 0 0 73.9 18.3 178.4 124.2 82.1 44.5 238 -1.7 0 0.0 0 0.0 0 0.0 11 41
242 A 242 LEU L t T - 0 0 -48.1 118.0 -179.8 -140.6 27.7 102.5 183 -2.1 247 -2.3 0 0.0 0 0.0 11 56
245 A 245 LYS K T T 3 TS+ 0 0 -51.7 -35.0 -179.4 45.9 104.7 34.5 0 0.0 0 0.0 0 0.0 0 0.0 7 44
246 A 246 GLU E T T > > TS+ 0 0 -99.3 30.8 -178.8 127.3 74.2 93.7 0 0.0 250 -3.1 0 0.0 249 -1.3 6 41
247 A 247 A ILE I T T 4 < TS+ 0 0 -55.8 -39.0 -179.2 48.3 74.5 29.1 244 -2.3 0 0.0 0 0.0 0 0.0 13 51
248 A 248 PHE F T T 4 3 TS+ 0 0 -79.6 -10.4 -178.5 28.5 123.9 52.8 0 0.0 0 0.0 0 0.0 0 0.0 9 38
249 A 249 THR T T T 4 < TS+ 0 0 -120.4 -31.3 -178.6 72.4 100.3 44.2 246 -1.3 0 0.0 0 0.0 0 0.0 6 27
250 A 250 ARG R t < T + 0 0 -52.4 -56.1 177.6 143.3 68.6 19.8 246 -3.1 0 0.0 0 0.0 0 0.0 9 31
251 A 251 LYS K t > T + 0 0 57.0 -144.3 -178.3 30.6 49.4 95.7 0 0.0 254 -2.9 0 0.0 0 0.0 11 29
252 A 252 ALA A T T > TS+ 0 0 -10.9 -71.4 -177.7 34.5 125.6 54.6 0 0.0 255 -0.5 0 0.0 0 0.0 7 28
253 A 253 LYS K T h > 3 TS+ 0 0 -86.8 21.7 -179.8 118.6 79.2 81.2 0 0.0 257 -2.9 0 0.0 0 0.0 8 29
254 A 254 ALA A H H > < TS+ 0 0 -53.0 -41.6 -179.3 48.0 77.7 29.0 251 -2.9 258 -2.6 0 0.0 0 0.0 12 42
255 A 255 ARG R H H > <>TS+ 0 0 -66.2 -51.5 179.9 45.7 112.9 15.7 252 -0.5 259 -2.8 0 0.0 260 -1.0 11 55
256 A 256 GLU E H H > 5TS+ 0 0 -57.8 -44.9 -179.6 41.2 120.5 23.4 0 0.0 260 -1.1 0 0.0 0 0.0 8 40
257 A 257 GLN Q H H X 5TS+ 0 0 -66.5 -61.0 -177.7 33.8 123.8 10.8 253 -2.9 261 -2.2 0 0.0 0 0.0 8 38
258 A 258 MET M H H < >TS+ 0 0 -67.8 -36.2 179.3 36.4 128.7 34.0 254 -2.6 263 -3.3 0 0.0 264 -1.6 11 52
259 A 259 PHE F H H < >5TS+ 0 0 -83.6 -44.3 178.8 49.7 118.5 25.5 255 -2.8 262 -0.8 0 0.0 0 0.0 11 56
260 A 260 GLY G H H < 3BF T - 137 0 -68.3 141.8 -178.0 -130.2 44.3 111.1 0 0.0 274 -1.6 0 0.0 0 0.0 9 55
271 A 271 PHE F H H > TS+ 0 0 -57.2 -60.9 -178.1 47.4 96.6 16.6 136 -1.1 275 -2.2 0 0.0 0 0.0 13 55
272 A 272 ALA A H H > TS+ 0 0 -48.5 -64.1 -177.4 36.8 117.4 22.6 0 0.0 276 -0.9 0 0.0 0 0.0 10 49
273 A 273 SER S H H 4 TS+ 0 0 -64.4 -35.5 -179.5 53.1 115.8 32.4 0 0.0 0 0.0 0 0.0 0 0.0 7 50
274 A 274 THR T H H < > TS+ 0 0 -68.0 -39.2 -179.4 53.4 105.9 25.9 270 -1.6 277 -1.2 0 0.0 0 0.0 8 57
275 A 275 MET M H H < > TS+ 0 0 -69.3 -20.8 179.7 73.3 92.3 44.1 271 -2.2 278 -1.6 0 0.0 0 0.0 13 48
276 A 276 THR T T h X > TS+ 0 0 -66.8 -18.3 179.8 73.1 81.2 42.7 272 -0.9 280 -2.6 0 0.0 279 -0.9 9 43
277 A 277 PHE F H H > < TS+ 0 0 -68.3 -17.5 178.9 68.8 83.1 45.5 274 -1.2 281 -1.0 0 0.0 0 0.0 10 51
278 A 278 ASN N H H 4 < TS+ 0 0 -67.5 -34.2 -180.0 31.3 111.7 29.5 275 -1.6 0 0.0 0 0.0 0 0.0 10 45
279 A 279 GLU E H H 4 X TS+ 0 0 -88.5 -46.3 -179.1 53.6 117.5 26.1 276 -0.9 282 -1.1 0 0.0 0 0.0 7 33
280 A 280 GLY G H H < 3 TS+ 0 0 -66.6 -9.3 -179.5 40.1 116.7 54.4 276 -2.6 0 0.0 0 0.0 0 0.0 7 28
281 A 281 LEU L T h X 3 TS+ 0 0 -118.7 -0.5 179.8 101.0 79.8 67.5 277 -1.0 285 -2.7 0 0.0 0 0.0 11 31
282 A 282 ALA A T T 4 < TS+ 0 0 -51.3 -36.5 -179.7 41.6 93.5 30.0 279 -1.1 0 0.0 0 0.0 0 0.0 11 24
283 A 283 LYS K T T 4 TS+ 0 0 -72.6 -72.1 -178.9 35.8 120.0 7.5 0 0.0 0 0.0 0 0.0 0 0.0 6 18
284 A 284 THR T T T 4 TS+ 0 0 -56.3 -38.0 179.8 33.6 128.8 36.6 0 0.0 0 0.0 0 0.0 0 0.0 6 23
285 A 285 VAL V S t < > TS- 0 0 -125.5 81.8 -179.8 -145.1 87.9 135.4 281 -2.7 288 -2.4 0 0.0 0 0.0 10 33
286 A 286 PRO P T T 3 TS+ 0 0 -46.8 130.0 179.2 11.3 83.0 97.1 0 0.0 0 0.0 0 0.0 0 0.0 7 27
287 A 287 GLY G T T 3 TS+ 0 0 80.5 -1.8 180.0 157.0 85.6 64.5 0 0.0 0 0.0 0 0.0 0 0.0 6 34
288 A 288 PHE F t < T + 0 0 -59.1 126.6 179.2 164.3 11.6 112.4 285 -2.4 0 0.0 0 0.0 0 0.0 10 42
289 A 289 LYS K e - 0 0 -155.9 113.0 178.8 -165.2 23.1 144.3 0 0.0 143 -2.7 0 0.0 144 -0.8 8 50
290 A 290 LEU L E E BG - 142 0 -94.8 134.8 178.3 -168.3 12.2 141.1 0 0.0 0 0.0 0 0.0 0 0.0 12 61
291 A 291 ILE I E E BG - 141 0 -123.7 145.7 179.4 -120.8 22.0 159.8 141 -2.6 141 -2.3 0 0.0 0 0.0 9 54
292 A 292 PRO P E E BG - 140 0 -80.3 145.6 177.9 -166.3 31.6 126.7 0 0.0 0 0.0 0 0.0 0 0.0 10 56
293 A 293 ILE I E E BG - 139 0 -131.6 151.7 178.0 -104.4 27.9 164.9 139 -2.6 139 -0.7 0 0.0 0 0.0 11 57
294 A 294 ALA A - 0 0 -66.1 150.7 179.7 -85.0 59.6 113.6 0 0.0 0 0.0 0 0.0 0 0.0 11 55
295 A 295 PRO P - 0 0 -62.0 126.5 179.7 -108.3 51.9 115.3 0 0.0 0 0.0 0 0.0 0 0.0 12 59
296 A 296 PRO P - 0 0 -55.2 137.5 179.7 -92.1 43.8 106.4 0 0.0 0 0.0 0 0.0 0 0.0 13 48
297 A 297 THR T B B d - 156 0 -52.6 127.6 -179.7 -132.3 48.2 106.6 155 -2.7 157 -2.5 0 0.0 0 0.0 13 37
298 A 298 ASN N t > T - 0 0 -80.2 173.0 -178.7 -89.8 29.3 104.6 302 -2.9 301 -2.8 0 0.0 0 0.0 14 40
299 A 299 SER S T T 3 TS+ 0 0 -54.1 -26.0 -179.9 59.8 126.6 42.7 197 -2.4 0 0.0 0 0.0 0 0.0 10 33
300 A 300 LYS K T T 3 TS- 0 0 -83.4 -1.8 179.0 -103.9 122.8 61.8 0 0.0 0 0.0 0 0.0 0 0.0 7 26
301 A 301 GLY G S t < TS+ 0 0 89.4 22.9 178.5 105.4 82.5 42.8 298 -2.8 0 0.0 0 0.0 0 0.0 6 25
302 A 302 GLN Q - 0 0 -140.3 154.2 -179.8 -119.6 67.5 167.4 0 0.0 298 -2.9 0 0.0 304 -0.7 7 31
303 A 303 ARG R - 0 0 -91.7 117.7 -177.2 -167.5 36.9 143.0 0 0.0 0 0.0 0 0.0 0 0.0 10 43
304 A 304 TRP W + 0 0 -115.6 127.4 173.9 172.3 27.1 156.6 302 -0.7 0 0.0 0 0.0 0 0.0 13 53
305 A 305 GLU E B B f + 417 0 -126.9 94.5 -177.8 178.5 12.4 154.0 416 -1.8 418 -2.6 0 0.0 0 0.0 10 63
306 A 306 GLU E + 0 0 -69.5 -30.6 -179.2 84.0 53.8 39.5 0 0.0 0 0.0 0 0.0 0 0.0 13 61
307 A 307 ASP D + 0 0 -81.0 139.7 178.2 155.5 51.9 123.6 0 0.0 136 -0.5 0 0.0 0 0.0 12 57
308 A 308 SER S B B C - 135 0 -152.6 165.0 178.8 -90.4 46.1 163.3 0 0.0 0 0.0 0 0.0 0 0.0 15 50
309 A 309 ARG R - 0 0 -80.4 146.9 178.8 -107.9 47.8 125.1 134 -2.1 0 0.0 0 0.0 0 0.0 12 47
310 A 310 GLN Q - 0 0 -70.4 148.0 179.3 -140.0 15.6 116.0 0 0.0 0 0.0 0 0.0 0 0.0 11 49
311 A 311 LYS K S S S+ 0 0 -83.0 -15.1 179.5 24.2 89.0 50.4 0 0.0 0 0.0 0 0.0 0 0.0 10 49
312 A 312 VAL V S S S- 0 0 -148.6 142.2 177.9 -141.5 73.6 173.5 0 0.0 0 0.0 0 0.0 0 0.0 11 56
313 A 313 ARG R - 0 0 -104.8 150.8 179.9 -121.6 24.9 142.4 129 -2.0 315 -0.5 0 0.0 0 0.0 11 54
314 A 314 PRO P S S S+ 0 0 -78.0 33.4 -179.8 96.2 86.4 89.8 0 0.0 76 -2.0 0 0.0 77 -1.9 11 56
315 A 315 ASP D e + 0 0 -118.9 165.1 179.4 89.6 43.6 140.4 313 -0.5 129 -1.7 0 0.0 0 0.0 15 55
316 A 316 GLY G E E ADE - 73 128 148.1 -161.8 179.2 -74.9 59.8 168.6 73 -2.2 73 -2.2 386 -0.8 0 0.0 18 66
317 A 317 TRP W E E ADE - 72 127 -141.0 157.7 -177.5 -160.6 28.1 165.9 127 -1.7 127 -2.3 0 0.0 0 0.0 13 74
318 A 318 ALA A E E AD - 71 0 -132.7 167.2 -179.6 -115.7 22.6 147.9 71 -2.6 71 -1.8 0 0.0 320 -0.5 13 75
319 A 319 ILE I E E AD - 70 0 -107.5 121.6 -179.0 -136.1 32.6 157.1 0 0.0 90 -2.8 0 0.0 0 0.0 14 64
320 A 320 THR T B e A > T - 89 0 -77.0 158.7 179.7 -115.4 21.2 110.0 69 -2.1 323 -2.0 318 -0.5 0 0.0 13 55
321 A 321 VAL V T T 3 TS+ 0 0 -63.6 -17.2 -179.6 61.9 116.9 46.1 88 -2.4 0 0.0 0 0.0 0 0.0 9 42
322 A 322 LYS K T T 3 TS+ 0 0 -88.6 -3.3 179.7 113.2 72.5 62.2 0 0.0 324 -0.7 0 0.0 0 0.0 7 34
323 A 323 ASN N t < T - 0 0 -73.1 110.8 -179.0 -167.9 48.4 127.5 320 -2.0 0 0.0 0 0.0 0 0.0 10 44
324 A 324 LYS K S S S+ 0 0 -79.2 -2.2 179.7 55.1 81.3 61.4 322 -0.7 0 0.0 0 0.0 0 0.0 5 29
325 A 325 ASN N h > T + 0 0 -128.8 63.3 -179.6 153.2 61.2 118.5 0 0.0 329 -2.2 0 0.0 0 0.0 6 39
326 A 326 PRO P H H > TS+ 0 0 -61.4 -39.0 -178.8 46.8 72.9 31.3 0 0.0 330 -2.1 0 0.0 0 0.0 9 45
327 A 327 VAL V H H > TS+ 0 0 -75.0 -35.1 177.9 48.2 113.0 29.5 0 0.0 331 -2.0 0 0.0 0 0.0 8 44
328 A 328 GLU E H H > TS+ 0 0 -66.8 -44.0 179.9 50.3 113.1 21.3 0 0.0 332 -2.3 0 0.0 0 0.0 9 47
329 A 329 THR T H H X TS+ 0 0 -59.8 -44.4 -179.2 47.6 110.8 23.6 325 -2.2 333 -2.6 0 0.0 0 0.0 9 66
330 A 330 ILE I H H X TS+ 0 0 -67.0 -36.2 178.9 51.4 110.5 29.7 326 -2.1 334 -2.4 0 0.0 0 0.0 12 63
331 A 331 LYS K H H X TS+ 0 0 -65.6 -38.5 178.3 51.1 110.2 26.8 327 -2.0 335 -1.2 0 0.0 0 0.0 11 57
332 A 332 PHE F H H X > TS+ 0 0 -61.5 -48.4 178.9 49.2 109.2 20.0 328 -2.3 336 -0.8 0 0.0 335 -0.7 11 70
333 A 333 PHE F H H < > TS+ 0 0 -56.5 -42.6 -178.7 57.1 107.0 25.3 329 -2.6 336 -1.1 0 0.0 0 0.0 12 77
334 A 334 ASP D H H < > TS+ 0 0 -60.1 -30.5 179.7 70.2 91.8 38.2 330 -2.4 337 -2.1 0 0.0 0 0.0 12 59
335 A 335 PHE F H H < X TS+ 0 0 -55.8 -37.4 -178.9 61.4 90.9 30.1 331 -1.2 338 -1.6 332 -0.7 341 -0.6 13 56
336 A 336 TYR Y T h < < TS+ 0 0 -71.8 -3.0 176.8 50.4 102.2 60.1 333 -1.1 390 -1.6 332 -0.8 0 0.0 14 64
337 A 337 PHE F T T < TS+ 0 0 -112.4 3.8 177.1 87.1 96.4 72.7 334 -2.1 0 0.0 0 0.0 0 0.0 13 55
338 A 338 SER S S h > < TS- 0 0 -97.5 158.6 -178.9 -108.7 92.8 131.1 335 -1.6 342 -3.2 0 0.0 0 0.0 9 44
339 A 339 ARG R H H > TS+ 0 0 -56.9 -48.2 179.8 49.5 117.6 22.4 0 0.0 343 -2.4 0 0.0 0 0.0 7 41
340 A 340 PRO P H H > TS+ 0 0 -59.6 -39.0 178.8 43.3 116.5 22.3 0 0.0 344 -1.6 0 0.0 0 0.0 8 49
341 A 341 GLY G H H > TS+ 0 0 -70.1 -41.2 178.8 52.2 112.2 25.4 335 -0.6 345 -2.1 0 0.0 0 0.0 11 59
342 A 342 ARG R H H X TS+ 0 0 -62.0 -32.6 179.0 58.8 106.4 33.0 338 -3.2 346 -1.1 0 0.0 0 0.0 15 57
343 A 343 ASP D H H X >TS+ 0 0 -61.3 -56.9 -177.5 36.3 110.5 14.9 339 -2.4 347 -3.0 0 0.0 348 -0.5 10 54
344 A 344 ILE I H H X 5TS+ 0 0 -70.5 -32.5 -178.6 52.6 116.6 30.2 340 -1.6 348 -1.3 0 0.0 0 0.0 14 60
345 A 345 SER S H H < 5TS+ 0 0 -76.3 -17.6 179.7 31.5 122.0 45.1 341 -2.1 384 -2.9 0 0.0 0 0.0 15 67
346 A 346 ASN N H H < 5TS+ 0 0 -106.0 -34.9 -176.0 24.7 133.5 41.6 342 -1.1 0 0.0 0 0.0 0 0.0 12 63
347 A 347 PHE F H H < 5TS- 0 0 -110.7 -17.0 178.5 -133.0 93.7 53.0 343 -3.0 349 -0.5 0 0.0 0 0.0 14 62
348 A 348 GLY G h < > T - 0 0 -123.7 130.0 179.9 -116.0 65.9 164.5 347 -0.5 353 -2.5 0 0.0 352 -2.0 11 46
350 A 350 PRO P T T 4 3 TS+ 0 0 -60.7 141.3 -179.8 22.7 103.1 108.0 0 0.0 0 0.0 0 0.0 0 0.0 9 42
351 A 351 GLY G T T 4 3 TS+ 0 0 86.0 -13.2 179.7 56.0 126.1 74.5 354 -3.0 0 0.0 0 0.0 0 0.0 6 26
352 A 352 VAL V T T 4 < TS- 0 0 -113.8 -55.2 179.8 -0.7 127.9 40.7 349 -2.0 0 0.0 0 0.0 0 0.0 8 35
353 A 353 THR T S e < TS+ 0 0 -111.3 -25.4 179.7 9.0 129.9 49.9 349 -2.5 364 -2.5 0 0.0 0 0.0 11 46
354 A 354 TYR Y E E DJ - 363 0 -147.3 177.0 178.8 -151.5 52.7 154.2 0 0.0 351 -3.0 0 0.0 0 0.0 13 44
355 A 355 ASP D E E DJ - 362 0 -148.2 151.8 178.1 -104.0 34.4 164.8 362 -1.5 362 -2.8 0 0.0 0 0.0 11 30
356 A 356 A ILE I E E DJ + 361 0 -83.2 127.2 -179.8 175.4 42.6 136.1 0 0.0 0 0.0 0 0.0 0 0.0 9 28
357 A 357 LYS K E E DJ > T - 360 0 -136.7 119.4 -180.0 -12.1 68.0 166.0 360 -3.5 360 -1.4 0 0.0 0 0.0 7 20
358 A 358 ASN N T T 3 TS- 0 0 59.8 36.6 180.0 -54.1 130.5 28.9 0 0.0 0 0.0 0 0.0 0 0.0 4 11
359 A 359 GLY G T T 3 TS+ 0 0 73.5 11.3 -179.5 109.9 120.4 53.4 0 0.0 0 0.0 0 0.0 0 0.0 5 17
360 A 360 LYS K E E DJ < TS- 357 0 -121.4 149.0 177.4 -116.3 74.6 154.1 357 -1.4 357 -3.5 0 0.0 362 -0.5 6 31
361 A 361 ALA A E E DJ - 356 0 -79.9 125.5 180.0 -171.2 38.4 135.0 0 0.0 0 0.0 0 0.0 0 0.0 10 39
362 A 362 VAL V E E DJ - 355 0 -126.8 121.2 179.9 -125.1 20.0 166.0 355 -2.8 355 -1.5 360 -0.5 0 0.0 10 40
363 A 363 PHE F E E DJ - 354 0 -60.5 143.2 177.8 -111.2 30.7 106.5 0 0.0 0 0.0 0 0.0 0 0.0 12 43
364 A 364 LYS K h > > T - 0 0 -71.5 149.7 179.7 -117.5 23.9 114.0 353 -2.5 368 -1.8 0 0.0 367 -0.8 10 35
365 A 365 ASP D H H > 3 TS+ 0 0 -56.8 -36.7 -179.7 61.9 114.8 30.4 0 0.0 369 -3.2 0 0.0 0 0.0 6 27
366 A 366 SER S H H > 3 TS+ 0 0 -57.6 -37.5 179.8 47.4 105.6 28.3 0 0.0 370 -1.0 0 0.0 0 0.0 6 27
367 A 367 VAL V H H 4 < TS+ 0 0 -70.5 -43.0 -178.6 41.2 117.0 24.6 364 -0.8 0 0.0 0 0.0 0 0.0 10 37
368 A 368 LEU L H H < TS+ 0 0 -76.9 -31.4 -179.8 50.3 114.4 35.6 364 -1.8 0 0.0 0 0.0 0 0.0 10 34
369 A 369 LYS K H H < TS+ 0 0 -81.0 -18.0 -179.0 106.6 87.1 46.5 365 -3.2 0 0.0 0 0.0 0 0.0 6 23
370 A 370 SER S S h < TS- 0 0 -64.1 145.2 179.5 -133.3 72.9 104.7 366 -1.0 0 0.0 0 0.0 0 0.0 7 21
371 A 371 PRO P S S S+ 0 0 -72.4 -12.2 178.9 93.5 87.4 49.3 0 0.0 0 0.0 0 0.0 0 0.0 4 21
372 A 372 GLN Q S S S- 0 0 -82.0 121.4 -179.8 -110.8 92.1 135.9 0 0.0 0 0.0 0 0.0 0 0.0 6 22
373 A 373 PRO P h > > T - 0 0 -56.4 137.3 -179.1 -122.9 19.5 103.5 0 0.0 377 -1.7 0 0.0 376 -0.7 7 34
374 A 374 VAL V H H > 3 TS+ 0 0 -46.7 -48.2 -179.7 58.1 109.2 29.2 0 0.0 378 -2.2 0 0.0 0 0.0 9 43
375 A 375 ASN N H H > 3 TS+ 0 0 -53.1 -44.1 -179.1 48.2 106.7 26.5 0 0.0 379 -2.6 0 0.0 0 0.0 7 44
376 A 376 ASN N H H > < TS+ 0 0 -68.3 -34.2 177.9 54.0 108.0 31.1 373 -0.7 380 -1.9 0 0.0 0 0.0 8 33
377 A 377 GLN Q H H < TS+ 0 0 -64.0 -39.0 -178.8 45.6 112.6 25.9 373 -1.7 0 0.0 0 0.0 0 0.0 10 38
378 A 378 LEU L H H < >>TS+ 0 0 -71.2 -44.1 179.8 56.0 106.9 23.4 374 -2.2 383 -2.4 0 0.0 381 -2.0 13 51
379 A 379 TYR Y H H < >5TS+ 0 0 -53.6 -46.2 -179.5 56.0 103.6 22.6 375 -2.6 382 -1.4 0 0.0 0 0.0 10 43
380 A 380 ASP D T h < 35TS+ 0 0 -61.4 -13.4 -179.1 46.4 110.9 51.5 376 -1.9 0 0.0 0 0.0 0 0.0 8 37
381 A 381 MET M T T <5TS- 0 0 -106.8 -8.3 -178.1 -99.0 122.4 60.2 378 -2.0 31 -2.1 0 0.0 0 0.0 11 42
382 A 382 GLY G T T <5TS+ 0 0 97.5 15.5 178.7 122.9 83.7 51.5 379 -1.4 0 0.0 0 0.0 0 0.0 15 54
383 A 383 ALA A t > T - 0 0 -121.9 104.6 -179.5 -156.8 4.4 157.4 0 0.0 395 -2.6 0 0.0 396 -0.6 10 46
393 A 393 TYR Y H H > 3 TS+ 0 0 -51.6 -24.5 -179.3 75.5 87.6 43.4 391 -0.5 397 -2.7 0 0.0 0 0.0 8 46
394 A 394 ASP D H H > 3 TS+ 0 0 -62.7 -24.2 178.1 59.7 88.3 35.6 0 0.0 398 -1.5 0 0.0 0 0.0 6 44
395 A 395 TYR Y H H 4 < TS+ 0 0 -67.4 -38.8 179.3 40.9 111.1 22.4 392 -2.6 0 0.0 0 0.0 0 0.0 11 53
396 A 396 GLU E H H < > TS+ 0 0 -74.7 -37.2 179.6 61.5 106.9 30.4 392 -0.6 399 -1.3 0 0.0 0 0.0 8 53
397 A 397 ARG R H H < > TS+ 0 0 -56.1 -37.4 -177.8 62.8 97.1 28.5 393 -2.7 400 -1.4 0 0.0 0 0.0 8 41
398 A 398 GLN Q T h < 3 TS+ 0 0 -64.2 -25.1 177.8 36.2 109.6 43.2 394 -1.5 0 0.0 0 0.0 0 0.0 9 45
399 A 399 TRP W T T < TS+ 0 0 -113.9 19.1 177.6 99.3 94.9 78.9 396 -1.3 401 -0.5 0 0.0 0 0.0 8 45
400 A 400 THR T S t < TS- 0 0 -102.9 125.2 -179.9 -115.2 80.2 155.2 397 -1.4 0 0.0 0 0.0 0 0.0 9 42
401 A 401 THR T h > T - 0 0 -58.6 150.0 -179.9 -113.3 23.8 102.6 399 -0.5 405 -2.4 0 0.0 0 0.0 9 35
402 A 402 PRO P H H > TS+ 0 0 -51.5 -41.2 179.9 54.6 117.1 31.0 0 0.0 406 -2.2 0 0.0 0 0.0 6 28
403 A 403 GLU E H H > TS+ 0 0 -61.8 -43.8 178.7 47.8 108.5 25.4 0 0.0 407 -1.8 0 0.0 0 0.0 7 35
404 A 404 ALA A H H > TS+ 0 0 -62.7 -45.8 -179.9 52.6 110.5 21.2 0 0.0 408 -2.4 0 0.0 0 0.0 12 43
405 A 405 GLN Q H H X TS+ 0 0 -58.4 -39.6 179.1 52.6 106.5 29.2 401 -2.4 409 -2.9 0 0.0 0 0.0 12 41
406 A 406 ALA A H H X TS+ 0 0 -63.1 -40.4 179.2 50.3 109.4 24.9 402 -2.2 410 -2.1 0 0.0 0 0.0 8 35
407 A 407 GLY G H H X TS+ 0 0 -63.7 -41.0 179.4 48.1 111.2 24.7 403 -1.8 411 -1.6 0 0.0 0 0.0 11 46
408 A 408 ILE I H H X TS+ 0 0 -65.5 -44.1 179.5 51.6 109.7 22.8 404 -2.4 412 -2.2 0 0.0 0 0.0 10 49
409 A 409 ASP D H H X TS+ 0 0 -59.6 -39.9 180.0 55.9 106.5 26.9 405 -2.9 413 -3.2 0 0.0 0 0.0 8 38
410 A 410 MET M H H X TS+ 0 0 -59.5 -42.0 179.6 47.5 108.2 26.9 406 -2.1 414 -2.6 0 0.0 0 0.0 9 34
411 A 411 TYR Y H H X >TS+ 0 0 -68.9 -37.8 179.1 46.8 113.4 28.0 407 -1.6 416 -1.0 0 0.0 415 -0.8 12 44
412 A 412 VAL V H H < >5TS+ 0 0 -67.4 -48.6 179.7 45.0 116.2 16.6 408 -2.2 415 -0.9 0 0.0 0 0.0 11 36
413 A 413 LYS K H H < 35TS+ 0 0 -60.8 -40.0 -179.6 53.7 111.3 27.7 409 -3.2 0 0.0 0 0.0 0 0.0 6 24
414 A 414 GLY G H H < 35TS- 0 0 -70.5 -16.6 179.7 -143.0 96.3 48.6 410 -2.6 0 0.0 0 0.0 0 0.0 7 31
415 A 415 LYS K T h < <5T + 0 0 58.8 28.8 -179.8 134.8 56.7 39.4 412 -0.9 0 0.0 411 -0.8 0 0.0 7 31
416 A 416 TYR Y t T - 0 0 -82.3 173.2 179.5 -94.8 42.9 106.8 0 0.0 431 -3.0 0 0.0 0 0.0 9 40
428 A 428 ARG R H H > TS+ 0 0 -56.4 -46.7 179.4 52.2 126.8 22.7 0 0.0 432 -2.1 0 0.0 0 0.0 7 29
429 A 429 GLU E H H > TS+ 0 0 -51.6 -60.9 -179.9 39.6 115.6 14.8 0 0.0 433 -1.1 0 0.0 0 0.0 7 31
430 A 430 GLU E H H > > TS+ 0 0 -54.6 -59.8 -179.0 52.9 113.1 16.8 0 0.0 434 -2.0 0 0.0 433 -1.1 11 37
431 A 431 ARG R H H X 3 TS+ 0 0 -48.9 -36.3 -179.8 63.4 101.1 35.4 427 -3.0 435 -3.1 0 0.0 0 0.0 10 38
432 A 432 ALA A H H X 3 TS+ 0 0 -57.6 -44.7 179.7 41.2 107.5 24.3 428 -2.1 436 -1.0 0 0.0 0 0.0 8 28
433 A 433 ILE I H H X < TS+ 0 0 -68.0 -50.2 -179.9 51.1 115.2 17.2 429 -1.1 437 -2.1 430 -1.1 0 0.0 12 32
434 A 434 TYR Y H H X TS+ 0 0 -52.2 -54.6 -179.6 46.6 111.3 20.0 430 -2.0 438 -2.4 0 0.0 0 0.0 10 41
435 A 435 ASP D H H < TS+ 0 0 -63.1 -24.2 -179.0 51.6 112.9 41.4 431 -3.1 0 0.0 0 0.0 0 0.0 8 32
436 A 436 LYS K H H < TS+ 0 0 -83.0 -34.5 -177.0 13.9 126.9 30.5 432 -1.0 0 0.0 0 0.0 0 0.0 8 28
437 A 437 TYR Y H H X TS+ 0 0 -114.0 -29.4 -176.9 77.7 104.2 42.9 433 -2.1 441 -2.5 0 0.0 0 0.0 12 30
438 A 438 TRP W H H X TS+ 0 0 -52.0 -53.0 -179.3 49.8 95.1 24.3 434 -2.4 442 -3.4 0 0.0 0 0.0 12 39
439 A 439 ALA A H H > TS+ 0 0 -55.3 -41.5 179.5 48.6 112.6 27.5 0 0.0 443 -2.5 0 0.0 0 0.0 8 31
440 A 440 ASP D H H > TS+ 0 0 -64.4 -48.1 179.8 45.8 114.1 18.1 0 0.0 444 -2.0 0 0.0 0 0.0 9 29
441 A 441 VAL V H H X TS+ 0 0 -59.0 -49.7 -179.0 50.8 112.9 18.0 437 -2.5 445 -2.5 0 0.0 0 0.0 12 40
442 A 442 ARG R H H X TS+ 0 0 -56.3 -49.3 -179.2 47.2 110.1 23.1 438 -3.4 446 -2.7 0 0.0 0 0.0 9 44
443 A 443 THR T H H X TS+ 0 0 -63.1 -34.0 179.1 54.0 111.0 29.2 439 -2.5 447 -2.3 0 0.0 0 0.0 8 30
444 A 444 TYR Y H H X TS+ 0 0 -63.3 -46.3 179.8 46.8 109.7 21.4 440 -2.0 448 -2.0 0 0.0 0 0.0 8 34
445 A 445 MET M H H X TS+ 0 0 -60.8 -46.3 -179.0 52.3 111.0 20.4 441 -2.5 449 -3.0 0 0.0 0 0.0 9 49
446 A 446 TYR Y H H X TS+ 0 0 -58.3 -42.1 -179.8 49.6 109.1 25.8 442 -2.7 450 -2.8 0 0.0 0 0.0 8 48
447 A 447 GLU E H H X TS+ 0 0 -66.0 -38.8 178.5 45.3 113.4 27.2 443 -2.3 451 -2.2 0 0.0 0 0.0 8 38
448 A 448 MET M H H X TS+ 0 0 -70.4 -39.3 179.5 52.0 112.8 25.6 444 -2.0 452 -2.6 0 0.0 0 0.0 10 47
449 A 449 GLY G H H X TS+ 0 0 -60.3 -48.7 179.9 47.9 110.3 17.6 445 -3.0 453 -2.6 0 0.0 0 0.0 9 60
450 A 450 GLN Q H H X TS+ 0 0 -57.9 -47.0 179.8 47.6 113.2 22.3 446 -2.8 454 -2.4 0 0.0 0 0.0 9 52
451 A 451 ALA A H H < >TS+ 0 0 -63.6 -38.5 179.5 52.2 110.8 29.4 447 -2.2 456 -1.9 0 0.0 457 -1.2 10 41
452 A 452 TRP W H H < >5TS+ 0 0 -64.7 -43.9 -179.5 48.1 110.0 22.2 448 -2.6 455 -1.0 0 0.0 0 0.0 14 48
453 A 453 VAL V H H < 35TS+ 0 0 -60.0 -54.6 -179.4 46.1 113.9 12.0 449 -2.6 0 0.0 0 0.0 0 0.0 11 52
454 A 454 MET M T h < 35TS- 0 0 -68.9 0.1 179.5 -117.3 112.9 64.0 450 -2.4 0 0.0 0 0.0 0 0.0 10 36
455 A 455 GLY G T T <5TS+ 0 0 73.1 12.0 179.3 130.1 77.3 50.0 452 -1.0 0 0.0 0 0.0 0 0.0 9 38
456 A 456 THR T S t T - 0 0 -81.4 134.2 -178.4 -144.2 18.9 132.7 0 0.0 462 -1.4 0 0.0 0 0.0 8 32
459 A 459 VAL V H H > TS+ 0 0 -65.9 -47.5 -179.6 46.1 97.4 19.6 0 0.0 463 -1.2 0 0.0 0 0.0 10 43
460 A 460 ASP D H H 4 TS+ 0 0 -63.9 -35.6 179.9 51.7 112.1 30.6 0 0.0 0 0.0 0 0.0 0 0.0 7 32
461 A 461 LYS K H H 4 TS+ 0 0 -71.7 -27.4 -178.3 32.6 121.2 37.7 0 0.0 0 0.0 0 0.0 0 0.0 7 25
462 A 462 THR T H H X TS+ 0 0 -111.1 2.7 -177.8 94.3 90.2 66.3 458 -1.4 466 -2.6 0 0.0 0 0.0 9 33
463 A 463 TRP W H H X TS+ 0 0 -63.4 -44.1 -179.9 48.5 86.2 24.9 459 -1.2 467 -2.6 0 0.0 0 0.0 9 37
464 A 464 ASP D H H > TS+ 0 0 -63.7 -40.4 179.1 44.1 115.9 26.3 0 0.0 468 -2.0 0 0.0 0 0.0 8 26
465 A 465 GLU E H H > TS+ 0 0 -69.3 -41.0 178.9 54.7 111.5 24.6 0 0.0 469 -3.0 0 0.0 0 0.0 7 29
466 A 466 TYR Y H H X TS+ 0 0 -56.4 -45.0 179.2 46.9 109.8 24.8 462 -2.6 470 -1.8 0 0.0 0 0.0 9 42
467 A 467 GLN Q H H X TS+ 0 0 -64.6 -40.8 179.9 51.5 111.4 26.4 463 -2.6 471 -1.8 0 0.0 0 0.0 9 35
468 A 468 ARG R H H X TS+ 0 0 -62.0 -45.1 179.5 49.3 109.7 23.6 464 -2.0 472 -2.4 0 0.0 0 0.0 8 26
469 A 469 GLN Q H H X TS+ 0 0 -63.1 -36.5 -180.0 57.9 105.8 32.4 465 -3.0 473 -2.6 0 0.0 0 0.0 8 33
470 A 470 LEU L H H < >TS+ 0 0 -61.2 -46.0 179.8 41.8 110.5 21.3 466 -1.8 475 -2.2 0 0.0 0 0.0 12 40
471 A 471 LYS K H H < >5TS+ 0 0 -66.5 -41.9 -178.5 51.4 115.5 24.3 467 -1.8 474 -1.1 0 0.0 0 0.0 9 31
472 A 472 LEU L H H < 35TS+ 0 0 -64.7 -35.6 -179.0 52.6 107.5 31.3 468 -2.4 0 0.0 0 0.0 0 0.0 7 26
473 A 473 ARG R T h < 35TS- 0 0 -83.0 -1.8 176.7 -95.1 124.3 62.9 469 -2.6 0 0.0 0 0.0 0 0.0 9 32
474 A 474 GLY G T h > X5TS+ 0 0 107.4 0.7 179.9 137.0 77.9 62.2 471 -1.1 478 -2.5 0 0.0 477 -0.9 11 35
475 A 475 LEU L H H > 3 3 TS+ 0 0 -62.0 -32.8 178.6 48.7 109.2 38.0 0 0.0 480 -1.6 0 0.0 0 0.0 8 38
477 A 477 GLN Q H H > < TS+ 0 0 -74.4 -38.9 178.4 50.1 112.5 26.5 474 -0.9 481 -1.8 0 0.0 0 0.0 8 37
478 A 478 VAL V H H X TS+ 0 0 -60.8 -50.9 -180.0 48.6 110.8 15.6 474 -2.5 482 -2.3 0 0.0 0 0.0 12 46
479 A 479 LEU L H H X TS+ 0 0 -57.8 -39.2 180.0 55.0 108.2 29.6 475 -2.8 483 -3.3 0 0.0 0 0.0 10 51
480 A 480 GLN Q H H X TS+ 0 0 -63.9 -38.9 178.7 44.8 110.3 27.8 476 -1.6 484 -2.3 0 0.0 0 0.0 8 39
481 A 481 MET M H H X TS+ 0 0 -72.6 -33.1 178.6 50.5 114.1 31.3 477 -1.8 485 -2.3 0 0.0 0 0.0 13 38
482 A 482 MET M H H X TS+ 0 0 -66.9 -45.5 -179.9 47.2 112.3 21.4 478 -2.3 486 -2.6 0 0.0 0 0.0 12 48
483 A 483 GLN Q H H X TS+ 0 0 -62.4 -44.0 179.2 51.3 110.7 25.0 479 -3.3 487 -2.7 0 0.0 0 0.0 10 41
484 A 484 GLN Q H H X TS+ 0 0 -59.2 -48.6 180.0 44.1 113.8 17.8 480 -2.3 488 -1.7 0 0.0 0 0.0 8 37
485 A 485 ALA A H H X TS+ 0 0 -64.8 -37.3 179.5 53.6 112.3 29.2 481 -2.3 489 -2.3 0 0.0 0 0.0 14 46
486 A 486 TYR Y H H X >TS+ 0 0 -62.2 -50.2 -179.5 50.2 106.8 17.3 482 -2.6 490 -3.3 0 0.0 491 -0.7 11 44
487 A 487 ASP D H H X >TS+ 0 0 -55.6 -40.2 179.9 46.8 113.8 28.1 483 -2.7 491 -1.1 0 0.0 492 -0.6 9 36
488 A 488 ARG R H H < 5TS+ 0 0 -68.8 -42.5 -176.5 36.0 120.5 26.6 484 -1.7 0 0.0 0 0.0 0 0.0 9 31
489 A 489 GLN Q H H < 5TS+ 0 0 -84.4 -36.0 -178.0 23.4 130.9 34.4 485 -2.3 0 0.0 0 0.0 0 0.0 13 38
490 A 490 TYR Y H H < 5TS+ 0 0 -111.1 -8.8 -179.1 40.7 126.3 56.2 486 -3.3 0 0.0 0 0.0 0 0.0 7 36
491 A 491 LYS K T h < 5555< 5-turns
3-turns >33< >33< >33< >33< >33< >33< 3-turns
bridge-2 bbb DDDD bridge-2
bridge-1 aaaaa CC CC aaaaa bbb A bridge-1
sheets AAAAAAAAA AA AAAAA AAAA sheets
4-turns >444< >>>>XXXX<<<< >>>>XXXXX<<<< >>>>XXX<<<< >>>>X<<5555< >5555< 5-turns
3-turns >33<>>3<<>33< >33< >33< >>>XXX<<< 3-turns
bridge-2 GGGG e bridge-2
bridge-1 EE b C FFFFF d h*h bridge-1
sheets AA BBBBBB BBB sheets
4-turns >>>XXX<<>>X<<<< >>>><<<< >>>>XXXXXXX<<<< >444< 4-turns
summary HHHHHHHHHhHHHHHHHhtTTt EEeB SBeEEEEEEHHHHHHhTt hHHHHHHHHHHHHHhtTTtSSS EEEe SgGGGGGGGGGGGgt summary
sequence PHIKAFFKSHPEVERAIKAPDGNIYFIPYVPDGVVARGYFIREDWLKKLNLKPPQNIDELYTVLKAFKEKDPNGNGKADEVPFIDRHPDEVFRLVNFWGA sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand S SSSSTT EEETTEEE GGGSHHHHHHHHHHHHHHHTT B TTTTT TTHHHHHHHTT EEEEEEEHHHHHTHHHHTTTTSTT EEEE B TT Kabs/Sand
chirality -+-+-+-++------+-+--+++-+++++++++++++++-++--++++++++++++++++-+++++-+--++++++++++++++-+++----------+- chirality
bends S SSSSSS SSS SSSSSSSSSSSSSSSSSSSSS S SSSSS SSSSSSSSSSS SSSSSSSSSSSSSSSSS SS bends
turns TTTT TTTT TTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTT TTT turns
5-turns >5555< >55>5<55< 5-turns
3-turns >33< >33< >>333< >3><3< >>3<< >33< >>><33< >33 3-turns
bridge-2 h*h bridge-2
bridge-1 III III e FFFFF GGGG d bridge-1
sheets CCC CCC BBBBBBB BBBB sheets
4-turns >>>>XXXXXXXXX<<<< >444< >>>>X<<<< >>>4<445555< >5555< 5-turns
3-turns < >33< >>>X<<< >33< >33< >33< >33< >>3<< >33<>>3<< 3-turns
bridge-2 EE bridge-2
bridge-1 f C DDDDA JJJJ JJJJ b bridge-1
sheets AAAA DDDD DDDD sheets
4-turns >>>>XXXX<<<< >>>>XXX<<<<>444< >>>4<<< >>>><<<< >>>4<<< 4-turns
summary t B B SS SeEEEEeTTtShHHHHHHHHHHhThHHHHHHHHHhtTTTeEEEETTEEEEhHHHHHhSShHHHHHHhTTtS SSS B hHHHHHhTt summary
sequence GQRWEEDSRQKVRPDGWAITVKNKNPVETIKFFDFYFSRPGRDISNFGVPGVTYDIKNGKAVFKDSVLKSPQPVNNQLYDMGAQIPIGFWQDYDYERQWT sequence
310 320 330 340 350 360 370 380 390 400
author author
Kabs/Sand HHHHHHHHHHHHHT B HHHHHHHHHHHHHHHHHHHHHHHHHHTTSS HHHHHHHHHHHHHHTTHHHHHHHHHHHHHHHHT Kabs/Sand
chirality -++++++++++++-++-----------++++++++++++++++++++++++++-++--++++++++++++++-+++++++++++++++++ chirality
bends SSSSSSSSSSSSS SSSSSSSSSSSSSSSSSSSSSSSSSSSSSS SSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< >5555< >5555< >>555<< 5-turns
3-turns >33< >33< >33< >33X33< 3-turns
bridge-2 bridge-2
bridge-1 f bridge-1
sheets sheets
4-turns >>>>XXXXXXX<<<< >>>>XXXX<>XXXXXXXXXX<<<< >>44XX>>XXXX<<<<>>>>XXXXXXXXXX<<<< 4-turns
summary hHHHHHHHHHHHHHhtB hHHHHHHHHHHHHHHHHHHHHHHHHHHhTtShHHHHHHHHHHHHHHhhHHHHHHHHHHHHHHHHht summary
sequence TPEAQAGIDMYVKGKYVMPGFEGVNMTREERAIYDKYWADVRTYMYEMGQAWVMGTKDVDKTWDEYQRQLKLRGLYQVLQMMQQAYDRQYKN sequence
410 420 430 440 450 460 470 480 490