Secondary structure calculation program - copyright by David Keith Smith, 1989
1e8cA.pdb
1E8C LIGASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 482
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 3 ARG R 0 0 999.9 161.3 -178.3 999.9 999.9 999.9 0 0.0 19 -2.9 0 0.0 0 0.0 8 34
2 A 4 ASN N B h > A T - 18 0 -102.5 131.4 179.7 -143.9 999.9 145.5 0 0.0 6 -2.6 0 0.0 0 0.0 9 38
3 A 5 LEU L H H > TS+ 0 0 -52.4 -45.2 -179.5 55.2 102.1 26.9 17 -2.7 7 -2.2 0 0.0 0 0.0 13 49
4 A 6 ARG R H H > TS+ 0 0 -54.6 -54.6 -178.8 39.0 113.4 19.2 0 0.0 8 -0.9 0 0.0 0 0.0 12 35
5 A 7 ASP D H H 4 TS+ 0 0 -67.4 -33.8 -179.9 60.6 111.1 34.7 0 0.0 0 0.0 0 0.0 0 0.0 8 31
6 A 8 LEU L H H < TS+ 0 0 -59.8 -45.8 -177.7 30.0 116.8 22.2 2 -2.6 0 0.0 0 0.0 0 0.0 11 47
7 A 9 LEU L H H X > TS+ 0 0 -96.4 -1.7 -179.0 112.2 83.3 63.7 3 -2.2 10 -3.4 0 0.0 11 -3.1 11 46
8 A 10 ALA A T h < 3 TS+ 0 0 -41.2 -40.4 -179.9 59.9 74.5 36.6 4 -0.9 0 0.0 0 0.0 0 0.0 10 31
9 A 11 PRO P T T 4 3 TS+ 0 0 -68.7 -8.6 -178.4 12.1 126.6 53.2 0 0.0 0 0.0 0 0.0 0 0.0 6 25
10 A 12 TRP W T T 4 < TS+ 0 0 -135.7 -36.3 -179.7 35.7 133.1 52.5 7 -3.4 0 0.0 0 0.0 0 0.0 6 33
11 A 13 VAL V t < > T + 0 0 -126.9 77.8 -179.5 176.2 57.6 133.6 7 -3.1 14 -2.3 0 0.0 0 0.0 8 38
12 A 14 PRO P T T 3 TS+ 0 0 -55.5 -18.9 -179.2 59.2 79.9 46.7 0 0.0 0 0.0 0 0.0 0 0.0 8 23
13 A 15 ASP D T T 3 TS+ 0 0 -93.7 3.7 -179.8 134.1 72.9 66.7 0 0.0 0 0.0 0 0.0 0 0.0 6 27
14 A 16 ALA A t < T - 0 0 -56.6 132.9 -179.9 -113.4 59.6 105.6 11 -2.3 0 0.0 0 0.0 0 0.0 11 37
15 A 17 PRO P - 0 0 -68.6 151.5 179.7 -99.6 32.4 107.3 0 0.0 0 0.0 0 0.0 0 0.0 7 34
16 A 18 SER S + 0 0 -74.2 133.9 178.9 149.4 55.9 121.8 0 0.0 0 0.0 0 0.0 0 0.0 8 32
17 A 19 ARG R - 0 0 -168.3 127.9 179.9 -122.6 43.2 147.0 0 0.0 3 -2.7 0 0.0 0 0.0 9 37
18 A 20 ALA A B B A - 2 0 -72.9 138.8 -179.5 -162.1 29.3 120.3 0 0.0 0 0.0 0 0.0 0 0.0 9 29
19 A 21 LEU L - 0 0 -124.4 143.2 179.8 -168.1 14.7 161.6 1 -2.9 0 0.0 0 0.0 0 0.0 12 41
20 A 22 ARG R 0 0 -93.4 -64.6 179.8 999.9 999.9 24.3 31 -2.4 0 0.0 0 0.0 0 0.0 7 37
21!A 23 GLU E 0 0 -130.2 999.9 999.9 999.9 999.9 152.1 0 0.0 33 -3.1 0 0.0 0 0.0 6 46
22!A 25 THR T 0 0 999.9 150.0 178.7 999.9 999.9 999.9 0 0.0 35 -2.8 0 0.0 0 0.0 12 57
23 A 26 LEU L + 0 0 -97.6 -5.1 -178.4 76.6 999.9 64.1 0 0.0 25 -0.6 0 0.0 0 0.0 9 54
24 A 27 ASP D g > T - 0 0 -114.9 117.6 -179.2 -159.5 62.7 159.2 0 0.0 27 -1.5 0 0.0 0 0.0 10 46
25 A 28 SER S G G > TS+ 0 0 -60.9 -31.1 -179.1 70.4 89.1 35.7 23 -0.6 28 -1.6 0 0.0 0 0.0 11 40
26 A 29 ARG R G G 3 TS+ 0 0 -60.7 -21.6 179.1 32.4 109.9 45.6 0 0.0 0 0.0 0 0.0 0 0.0 5 30
27 A 30 VAL V G G < TS+ 0 0 -123.4 21.7 178.0 117.1 87.1 84.9 24 -1.5 29 -0.8 0 0.0 0 0.0 6 31
28 A 31 ALA A g < T - 0 0 -91.9 112.2 -179.0 -168.6 48.5 146.3 25 -1.6 0 0.0 0 0.0 0 0.0 13 37
29 A 32 ALA A t > T - 0 0 -94.8 178.7 179.8 -58.9 36.3 109.8 27 -0.8 32 -2.0 0 0.0 0 0.0 8 31
30 A 33 ALA A T T 3 TS+ 0 0 -59.2 129.3 179.3 15.6 124.4 110.0 0 0.0 0 0.0 0 0.0 0 0.0 8 32
31 A 34 GLY G T T 3 TS+ 0 0 87.9 -2.0 180.0 125.4 98.1 64.5 55 -2.5 20 -2.4 0 0.0 0 0.0 12 35
32 A 35 ASP D e < T - 0 0 -84.0 174.3 176.7 -115.4 63.6 105.5 29 -2.0 57 -2.5 0 0.0 58 -1.4 14 45
33 A 36 LEU L E E Aa - 58 0 -110.4 117.7 178.8 -154.9 27.3 164.7 21 -3.1 35 -0.5 0 0.0 0 0.0 14 65
34 A 37 PHE F E E Aa - 59 0 -97.4 128.2 179.5 -156.5 2.4 148.4 58 -2.3 60 -1.9 0 0.0 36 -0.6 15 63
35 A 38 VAL V E E Aa - 60 0 -107.0 116.9 -177.3 -160.1 6.4 156.6 22 -2.8 37 -0.7 33 -0.5 0 0.0 11 68
36 A 39 ALA A E E Aa + 61 0 -104.8 109.4 -179.5 163.9 19.6 148.3 60 -2.5 62 -2.1 34 -0.6 0 0.0 15 59
37 A 40 VAL V - 0 0 -119.6 165.9 178.8 -104.2 41.9 138.8 35 -0.7 44 -2.9 0 0.0 39 -0.6 12 50
38 A 41 VAL V B B B - 43 0 -89.9 123.1 -179.7 -173.4 45.3 141.3 0 0.0 0 0.0 0 0.0 0 0.0 10 37
39 A 42 GLY G - 0 0 -103.8 -165.2 179.6 -91.0 40.3 104.6 42 -2.9 0 0.0 37 -0.6 0 0.0 7 32
40 A 43 HIS H S S S+ 0 0 -79.3 -24.4 -178.4 18.3 122.3 43.6 0 0.0 0 0.0 0 0.0 0 0.0 4 19
41 A 44 GLN Q S S S+ 0 0 -117.0 -35.6 -179.0 15.5 127.4 43.3 0 0.0 0 0.0 0 0.0 0 0.0 4 12
42 A 45 ALA A - 0 0 -137.5 175.4 179.9 -111.1 66.9 145.9 0 0.0 39 -2.9 0 0.0 44 -0.6 6 20
43 A 46 ASP D B B B > T - 38 0 -112.5 112.0 -179.6 -155.1 17.0 159.8 0 0.0 46 -1.8 0 0.0 0 0.0 10 31
44 A 47 GLY G G G > TS+ 0 0 -55.4 -28.7 -179.5 71.3 89.2 39.2 37 -2.9 47 -2.0 42 -0.6 0 0.0 13 42
45 A 48 ARG R G G > TS+ 0 0 -60.4 -26.3 179.6 68.0 84.7 39.2 0 0.0 48 -1.6 0 0.0 0 0.0 10 46
46 A 49 ARG R G G < TS+ 0 0 -70.9 -8.2 179.2 54.5 97.3 54.2 43 -1.8 0 0.0 0 0.0 0 0.0 6 33
47 A 50 TYR Y G h > < TS+ 0 0 -104.4 2.3 179.7 98.4 77.2 68.2 44 -2.0 51 -2.5 0 0.0 0 0.0 10 36
48 A 51 ILE I H H > < TS+ 0 0 -56.6 -43.9 179.7 55.2 79.5 24.3 45 -1.6 52 -2.8 0 0.0 0 0.0 12 47
49 A 52 PRO P H H > TS+ 0 0 -56.1 -43.9 179.4 45.7 110.5 23.9 0 0.0 53 -2.3 0 0.0 0 0.0 7 35
50 A 53 GLN Q H H > TS+ 0 0 -65.8 -42.2 179.8 52.8 110.7 25.7 0 0.0 54 -1.5 0 0.0 0 0.0 8 34
51 A 54 ALA A H H < >TS+ 0 0 -60.6 -45.4 179.5 46.2 111.5 21.2 47 -2.5 56 -1.7 0 0.0 0 0.0 13 42
52 A 55 ILE I H H < >5TS+ 0 0 -63.6 -41.6 179.4 54.1 109.4 23.7 48 -2.8 55 -1.7 0 0.0 0 0.0 11 41
53 A 56 ALA A H H < 35TS+ 0 0 -61.8 -26.3 179.9 56.3 105.4 37.0 49 -2.3 0 0.0 0 0.0 0 0.0 7 30
54 A 57 GLN Q T h < 35TS- 0 0 -82.1 -9.1 178.3 -107.9 122.3 56.8 50 -1.5 0 0.0 0 0.0 0 0.0 9 30
55 A 58 GLY G T T <5T + 0 0 93.5 20.3 179.1 171.3 52.2 46.3 52 -1.7 31 -2.5 0 0.0 0 0.0 10 36
56 A 59 VAL V t > T + 0 0 -84.7 -21.6 -177.7 131.2 49.2 46.9 82 -1.9 67 -2.6 0 0.0 66 -2.5 13 37
64 A 67 LYS K T T 4 3 TS- 0 0 -41.0 125.4 179.3 -11.9 86.3 91.5 0 0.0 0 0.0 0 0.0 0 0.0 7 27
65 A 68 ASP D T T 4 3 TS+ 0 0 61.5 3.5 -177.1 63.7 134.8 62.7 0 0.0 0 0.0 0 0.0 0 0.0 4 22
66 A 69 GLU E T T 4 < TS- 0 0 -126.5 -33.2 -178.2 -6.7 102.8 44.7 63 -2.5 0 0.0 0 0.0 0 0.0 5 28
67 A 70 ALA A t < T - 0 0 -159.6 171.0 178.8 -84.7 68.7 167.3 63 -2.6 0 0.0 0 0.0 0 0.0 8 26
68 A 71 THR T t > T - 0 0 -82.0 150.7 -179.5 -85.4 61.2 122.0 0 0.0 71 -2.3 0 0.0 0 0.0 9 22
69 A 72 ASP D T T 3 TS+ 0 0 -57.7 125.3 179.9 14.7 117.2 109.7 0 0.0 0 0.0 0 0.0 0 0.0 8 32
70 A 73 GLY G T T 3 TS+ 0 0 87.0 6.9 -179.7 158.6 87.6 57.3 81 -2.8 0 0.0 0 0.0 0 0.0 10 37
71 A 74 GLU E e < T - 0 0 -68.0 138.7 179.9 -148.8 29.0 114.5 68 -2.3 81 -2.6 0 0.0 73 -0.5 9 34
72 A 75 ILE I E E AC + 80 0 -114.2 124.5 179.0 161.3 24.8 160.6 0 0.0 0 0.0 0 0.0 0 0.0 9 35
73 A 76 ARG R E E AC 79 0 -130.4 174.7 -179.8 999.9 999.9 141.3 79 -2.7 79 -2.9 71 -0.5 0 0.0 6 33
74!A 77 GLU E 0 0 -138.7 999.9 999.9 999.9 999.9 179.6 0 0.0 0 0.0 0 0.0 0 0.0 7 32
75!A 79 HIS H 0 0 999.9 43.8 179.4 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 4 20
76 A 80 GLY G + 0 0 79.0 -6.9 -179.1 121.2 999.9 69.9 0 0.0 0 0.0 0 0.0 0 0.0 4 26
77 A 81 VAL V - 0 0 -97.4 124.5 179.6 -123.5 64.5 143.5 0 0.0 0 0.0 0 0.0 0 0.0 10 42
78 A 82 PRO P e - 0 0 -63.9 132.9 178.3 -167.2 24.4 113.0 0 0.0 59 -2.1 0 0.0 0 0.0 11 47
79 A 83 VAL V E E AbC - 59 73 -127.2 113.6 -178.9 -169.1 2.2 166.6 73 -2.9 73 -2.7 0 0.0 0 0.0 11 55
80 A 84 ILE I E E AbC - 60 72 -107.8 125.7 -179.0 -149.6 9.1 155.6 59 -2.9 61 -2.9 0 0.0 0 0.0 12 56
81 A 85 TYR Y E E Ab - 61 0 -97.9 133.0 179.0 -178.3 15.6 142.3 71 -2.6 70 -2.8 0 0.0 0 0.0 14 51
82 A 86 LEU L E E Ab > T - 62 0 -130.9 140.8 179.4 -126.8 22.5 170.9 61 -2.6 63 -1.9 0 0.0 85 -0.6 13 47
83 A 87 SER S T T 3 TS+ 0 0 -84.3 152.0 179.6 13.3 91.5 122.8 0 0.0 0 0.0 0 0.0 0 0.0 10 34
84 A 88 A GLN Q T h > > TS+ 0 0 51.4 44.7 -178.4 167.1 78.2 26.6 0 0.0 87 -0.6 0 0.0 88 -0.5 9 37
85 A 89 LEU L H H > X T + 0 0 -58.3 -42.2 -179.6 61.3 64.3 28.1 82 -0.6 88 -1.7 0 0.0 89 -0.6 11 50
86 A 90 ASN N H H 4 > TS+ 0 0 -54.7 -38.4 179.2 50.4 103.7 30.2 0 0.0 89 -0.6 0 0.0 0 0.0 9 49
87 A 91 GLU E H H 4 < TS+ 0 0 -73.9 -12.7 -176.0 45.3 114.0 50.2 84 -0.6 0 0.0 0 0.0 0 0.0 9 42
88 A 92 ARG R H H X < TS+ 0 0 -114.9 6.9 179.7 94.6 85.2 76.8 85 -1.7 92 -2.3 84 -0.5 0 0.0 8 51
89 A 93 LEU L H H X < TS+ 0 0 -64.8 -55.5 -179.6 47.3 84.0 20.5 86 -0.6 93 -3.2 85 -0.6 0 0.0 12 57
90 A 94 SER S H H > TS+ 0 0 -57.3 -46.4 180.0 46.3 115.4 22.0 0 0.0 94 -2.2 0 0.0 0 0.0 16 54
91 A 95 ALA A H H > TS+ 0 0 -62.4 -44.7 179.1 48.3 114.1 23.5 0 0.0 95 -2.0 0 0.0 0 0.0 9 49
92 A 96 LEU L H H X TS+ 0 0 -60.8 -48.4 179.8 46.8 113.1 21.3 88 -2.3 96 -2.3 0 0.0 0 0.0 10 60
93 A 97 ALA A H H X TS+ 0 0 -63.3 -33.5 179.5 57.7 108.8 31.9 89 -3.2 97 -2.5 0 0.0 0 0.0 12 60
94 A 98 GLY G H H < >TS+ 0 0 -63.7 -44.3 179.3 43.3 108.7 23.0 90 -2.2 99 -3.0 0 0.0 0 0.0 13 52
95 A 99 ARG R H H < >5TS+ 0 0 -67.3 -39.4 179.7 55.0 112.8 25.4 91 -2.0 98 -1.0 0 0.0 0 0.0 9 45
96 A 100 PHE F H H < 35TS+ 0 0 -58.4 -47.2 -177.9 35.0 116.3 23.5 92 -2.3 0 0.0 0 0.0 0 0.0 9 50
97 A 101 TYR Y T h < 35TS- 0 0 -96.3 16.6 178.3 -108.0 117.4 79.5 93 -2.5 0 0.0 0 0.0 0 0.0 10 44
98 A 102 HIS H T T <5T - 0 0 57.9 55.8 177.1 -62.5 63.9 22.5 95 -1.0 0 0.0 0 0.0 0 0.0 7 39
99 A 103 GLU E g > TS+ 0 0 -55.2 -36.8 -178.2 68.1 75.3 38.8 0 0.0 103 -2.0 0 0.0 0 0.0 12 45
101 A 105 SER S G G 3 TS+ 0 0 -68.2 -4.5 177.2 61.8 92.3 54.6 0 0.0 0 0.0 0 0.0 0 0.0 11 55
102 A 106 ASP D G G < TS+ 0 0 -92.4 -9.9 -178.9 58.4 98.3 54.5 99 -1.8 0 0.0 0 0.0 0 0.0 7 42
103 A 107 ASN N S g < TS+ 0 0 -107.6 21.4 176.2 25.6 113.3 82.4 100 -2.0 0 0.0 0 0.0 0 0.0 8 36
104 A 108 LEU L S S S- 0 0 -168.4 157.8 179.3 -96.1 90.7 159.1 0 0.0 106 -0.8 0 0.0 0 0.0 11 48
105 A 109 ARG R E E Bd - 173 0 -88.6 116.2 -178.0 -159.9 43.4 143.0 172 -2.5 174 -2.4 0 0.0 107 -0.5 11 53
106 A 110 LEU L E E Bd - 174 0 -103.3 125.2 178.9 -171.8 10.0 149.3 104 -0.8 193 -3.7 0 0.0 194 -1.2 12 68
107 A 111 VAL V E E Be - 194 0 -117.4 125.1 179.3 -158.1 7.3 164.6 174 -2.7 0 0.0 105 -0.5 0 0.0 11 74
108 A 112 GLY G E E Be - 195 0 -103.2 140.8 -179.9 -164.4 4.4 145.1 194 -2.3 196 -3.0 0 0.0 0 0.0 12 77
109 A 113 VAL V E E Be + 196 0 -127.8 125.5 178.6 171.9 11.5 171.7 0 0.0 177 -3.1 0 0.0 0 0.0 14 72
110 A 114 THR T E E Be + 197 0 -127.1 162.2 -179.4 108.6 20.2 150.2 196 -3.0 198 -2.2 0 0.0 0 0.0 13 68
111 A 115 GLY G S S S- 0 0 146.1 158.6 -178.7 -91.4 70.8 130.7 0 0.0 0 0.0 0 0.0 0 0.0 12 66
112 A 116 THR T S S S+ 0 0 -63.6 -49.8 -179.8 20.8 106.2 18.5 199 -2.4 0 0.0 0 0.0 0 0.0 11 65
113 A 117 ASN N S S S+ 0 0 -124.5 149.8 177.5 27.2 113.7 156.1 0 0.0 0 0.0 0 0.0 0 0.0 8 65
114 A 118 GLY G h > T + 0 0 87.2 8.5 -179.8 126.8 65.1 58.0 0 0.0 118 -2.2 0 0.0 0 0.0 9 68
115 A 119 LYS K H H > TS+ 0 0 -64.1 -40.8 -178.3 47.2 79.1 24.0 0 0.0 119 -2.3 0 0.0 0 0.0 13 67
116 A 120 THR T H H > TS+ 0 0 -65.4 -52.0 179.7 43.5 114.1 17.6 0 0.0 120 -2.6 0 0.0 0 0.0 11 66
117 A 121 THR T H H > TS+ 0 0 -60.4 -44.4 -179.8 49.6 116.0 20.9 0 0.0 121 -2.6 0 0.0 0 0.0 12 67
118 A 122 THR T H H X TS+ 0 0 -63.2 -42.2 178.9 46.0 112.5 25.6 114 -2.2 122 -2.0 0 0.0 0 0.0 13 70
119 A 123 THR T H H X TS+ 0 0 -68.1 -38.5 179.7 49.8 113.5 26.1 115 -2.3 123 -2.2 0 0.0 0 0.0 14 69
120 A 124 GLN Q H H X TS+ 0 0 -65.8 -40.2 179.5 50.0 110.4 25.4 116 -2.6 124 -2.8 0 0.0 0 0.0 11 68
121 A 125 LEU L H H X TS+ 0 0 -64.1 -41.2 178.7 50.6 110.2 25.5 117 -2.6 125 -2.8 0 0.0 0 0.0 13 67
122 A 126 LEU L H H X TS+ 0 0 -61.9 -43.8 -179.6 46.1 112.9 24.6 118 -2.0 126 -2.3 0 0.0 0 0.0 12 75
123 A 127 ALA A H H X TS+ 0 0 -66.1 -46.1 179.4 46.1 115.2 22.3 119 -2.2 127 -1.7 0 0.0 0 0.0 15 65
124 A 128 GLN Q H H X TS+ 0 0 -60.1 -56.9 -178.8 44.7 115.8 13.3 120 -2.8 128 -1.8 0 0.0 0 0.0 12 57
125 A 129 TRP W H H X TS+ 0 0 -54.1 -54.3 -179.3 52.1 111.1 21.1 121 -2.8 129 -0.9 0 0.0 0 0.0 12 61
126 A 130 SER S H H < >>TS+ 0 0 -52.6 -39.8 179.7 52.5 108.6 30.3 122 -2.3 131 -1.8 0 0.0 129 -0.6 13 55
127 A 131 GLN Q H H < >5TS+ 0 0 -64.8 -40.5 179.3 53.8 104.8 25.7 123 -1.7 130 -1.8 0 0.0 0 0.0 10 47
128 A 132 LEU L H H < 35TS+ 0 0 -66.8 -15.1 179.8 58.2 105.7 48.0 124 -1.8 0 0.0 0 0.0 0 0.0 8 38
129 A 133 LEU L T h < <5TS- 0 0 -101.5 20.1 178.2 -82.6 134.7 85.1 125 -0.9 0 0.0 126 -0.6 0 0.0 10 39
130 A 134 GLY G T T <5TS+ 0 0 95.0 7.9 178.7 121.3 90.6 55.6 127 -1.8 0 0.0 0 0.0 0 0.0 6 32
131 A 135 GLU E t T 0 0 999.9 -161.1 -178.1 999.9 999.9 999.9 0 0.0 139 -1.6 0 0.0 0 0.0 12 62
137 A 142 THR T T T 3 T + 0 0 -59.6 -36.1 -179.3 50.2 999.9 35.7 0 0.0 0 0.0 0 0.0 0 0.0 11 54
138 A 143 VAL V T T 3 TS- 0 0 -84.8 0.7 179.6 -82.3 124.7 66.2 0 0.0 0 0.0 0 0.0 0 0.0 10 49
139 A 144 GLY G t < T - 0 0 125.6 170.4 179.9 -86.7 38.8 124.1 136 -1.6 0 0.0 0 0.0 0 0.0 10 44
140 A 145 ASN N B B C + 147 0 -123.5 140.8 178.8 66.3 66.2 163.6 147 -2.2 147 -2.7 0 0.0 0 0.0 11 48
141 A 146 GLY G E E BG S- 135 0 144.1 178.9 178.2 -37.1 82.1 147.4 135 -2.4 135 -2.5 0 0.0 0 0.0 11 50
142 A 147 LEU L E E BG > TS- 134 0 -67.7 152.2 179.0 -80.2 81.7 112.8 0 0.0 145 -2.6 0 0.0 0 0.0 12 44
143 A 148 LEU L T e 3 TS+ 0 0 -54.9 134.7 179.8 18.3 122.5 107.5 133 -2.0 0 0.0 0 0.0 0 0.0 10 48
144 A 149 GLY G T T 3 TS+ 0 0 83.1 -4.4 179.9 69.2 119.9 66.8 0 0.0 0 0.0 0 0.0 0 0.0 5 33
145 A 150 LYS K t < T + 0 0 -137.5 43.3 -178.4 153.7 66.2 101.0 142 -2.6 0 0.0 0 0.0 0 0.0 6 27
146 A 151 VAL V - 0 0 -82.5 141.0 179.2 -149.0 32.7 122.6 0 0.0 0 0.0 0 0.0 0 0.0 11 36
147 A 152 ILE I B B C - 140 0 -107.8 120.6 -179.9 -110.4 29.8 159.4 140 -2.7 140 -2.2 0 0.0 0 0.0 7 29
148 A 153 PRO P - 0 0 -50.8 144.9 -178.4 -153.7 35.6 96.3 0 0.0 0 0.0 0 0.0 0 0.0 8 32
149 A 154 THR T - 0 0 -125.0 156.9 179.6 -144.0 24.0 150.5 0 0.0 0 0.0 0 0.0 0 0.0 10 29
150 A 155 GLU E S S S+ 0 0 -86.5 -28.8 -179.1 43.6 88.1 40.6 0 0.0 0 0.0 0 0.0 0 0.0 5 28
151 A 156 ASN N S S S- 0 0 -118.3 159.3 178.2 -135.0 71.2 143.3 0 0.0 0 0.0 0 0.0 0 0.0 7 36
152 A 157 THR T S S S+ 0 0 -74.7 -45.6 178.6 25.6 103.9 24.2 0 0.0 0 0.0 0 0.0 0 0.0 11 50
153 A 158 THR T S S S- 0 0 -122.7 123.1 -178.6 -135.4 89.5 170.1 0 0.0 0 0.0 0 0.0 0 0.0 12 50
154 A 159 GLY G - 0 0 -71.1 173.9 179.7 -74.2 35.4 93.7 0 0.0 0 0.0 0 0.0 0 0.0 10 48
155 A 160 SER S h > T - 0 0 -64.2 159.8 -179.4 -102.1 49.9 102.1 0 0.0 159 -2.7 0 0.0 0 0.0 8 53
156 A 161 ALA A H H > TS+ 0 0 -53.1 -36.6 179.7 41.7 123.9 33.0 0 0.0 160 -1.2 0 0.0 0 0.0 13 56
157 A 162 VAL V H H > TS+ 0 0 -79.4 -43.7 -180.0 51.8 112.4 23.6 0 0.0 161 -2.5 0 0.0 0 0.0 13 55
158 A 163 ASP D H H > TS+ 0 0 -61.5 -36.1 179.7 55.1 107.1 30.3 0 0.0 162 -2.3 0 0.0 0 0.0 9 59
159 A 164 VAL V H H X TS+ 0 0 -62.8 -50.5 179.3 42.7 111.1 17.9 155 -2.7 163 -2.0 0 0.0 0 0.0 12 66
160 A 165 GLN Q H H X TS+ 0 0 -61.8 -43.2 179.4 50.8 114.9 24.0 156 -1.2 164 -2.3 0 0.0 0 0.0 14 55
161 A 166 HIS H H H X TS+ 0 0 -61.5 -39.5 -178.2 48.6 111.4 27.5 157 -2.5 165 -1.9 0 0.0 0 0.0 10 53
162 A 167 A GLU E H H X TS+ 0 0 -73.1 -32.5 178.3 49.9 110.1 33.8 158 -2.3 166 -2.3 0 0.0 0 0.0 8 58
163 A 168 LEU L H H X TS+ 0 0 -71.4 -40.9 179.7 50.6 110.2 24.9 159 -2.0 167 -2.7 0 0.0 0 0.0 10 60
164 A 169 ALA A H H X TS+ 0 0 -61.7 -39.5 179.4 49.6 111.6 25.6 160 -2.3 168 -2.1 0 0.0 0 0.0 12 50
165 A 170 GLY G H H X TS+ 0 0 -65.2 -43.1 -180.0 48.2 110.7 23.9 161 -1.9 169 -1.5 0 0.0 0 0.0 8 42
166 A 171 LEU L H H < >TS+ 0 0 -64.3 -40.5 179.2 53.4 109.8 25.3 162 -2.3 171 -2.5 0 0.0 0 0.0 12 42
167 A 172 VAL V H H < >5TS+ 0 0 -60.7 -43.2 179.0 51.1 107.1 25.0 163 -2.7 170 -1.6 0 0.0 0 0.0 12 36
168 A 173 ASP D H H < 35TS+ 0 0 -64.0 -32.1 179.5 56.7 105.6 33.0 164 -2.1 0 0.0 0 0.0 0 0.0 7 27
169 A 174 GLN Q T h < 35TS- 0 0 -78.9 0.3 178.5 -98.7 128.3 63.6 165 -1.5 0 0.0 0 0.0 0 0.0 6 29
170 A 175 GLY G T T <5T + 0 0 99.0 3.0 -180.0 157.8 66.8 60.6 167 -1.6 0 0.0 0 0.0 0 0.0 7 30
171 A 176 ALA A t T - 0 0 -82.3 156.6 178.7 -121.4 25.9 116.4 176 -0.6 182 -2.3 0 0.0 0 0.0 10 59
179 A 185 SER S H H > TS+ 0 0 -61.8 -35.8 178.3 54.0 118.3 30.0 0 0.0 183 -2.2 0 0.0 0 0.0 10 57
180 A 186 HIS H H H > TS+ 0 0 -61.7 -48.6 -179.9 50.3 107.6 17.5 0 0.0 184 -2.3 0 0.0 0 0.0 7 48
181 A 187 GLY G H H 4 >TS+ 0 0 -56.3 -42.3 -180.0 50.1 109.7 28.5 0 0.0 186 -2.5 0 0.0 0 0.0 13 53
182 A 188 LEU L H H < >5TS+ 0 0 -63.3 -49.6 -179.7 46.2 111.7 19.3 178 -2.3 185 -1.5 0 0.0 0 0.0 14 53
183 A 189 VAL V H H < 35TS+ 0 0 -61.4 -37.1 -178.8 50.4 113.3 29.1 179 -2.2 0 0.0 0 0.0 0 0.0 9 45
184 A 190 GLN Q T h < 35TS- 0 0 -87.2 11.6 178.4 -117.2 112.6 75.3 180 -2.3 0 0.0 0 0.0 0 0.0 8 45
185 A 191 HIS H T T X5T + 0 0 61.5 25.6 -178.8 147.1 63.8 44.8 182 -1.5 188 -1.0 0 0.0 0 0.0 12 49
186 A 192 ARG R T T 3 TS+ 0 0 -124.0 23.2 -176.8 131.5 84.3 84.5 0 0.0 190 -1.7 0 0.0 0 0.0 11 66
188 A 194 ALA A T T < TS+ 0 0 -46.4 -42.7 -178.1 33.2 77.0 40.0 185 -1.0 0 0.0 0 0.0 0 0.0 12 54
189 A 195 ALA A T T 3 TS+ 0 0 -103.6 10.0 179.9 121.0 88.0 72.3 0 0.0 0 0.0 0 0.0 0 0.0 9 54
190 A 196 LEU L t < T - 0 0 -74.2 148.6 178.2 -134.8 58.5 115.1 187 -1.7 192 -0.8 0 0.0 224 -0.7 10 63
191 A 197 LYS K B B d - 224 0 -106.3 101.9 -179.0 -161.1 23.5 151.1 0 0.0 0 0.0 0 0.0 0 0.0 11 50
192 A 198 PHE F - 0 0 -85.0 138.3 177.0 -157.9 20.2 129.4 224 -2.4 0 0.0 190 -0.8 0 0.0 13 54
193 A 199 ALA A S e S- 0 0 -79.2 -30.3 178.9 -0.8 85.6 37.6 106 -3.7 227 -2.0 0 0.0 0 0.0 11 51
194 A 200 ALA A E E Beh - 107 227 -157.9 152.5 -179.9 -148.6 61.0 171.4 106 -1.2 108 -2.3 0 0.0 0 0.0 14 57
195 A 201 SER S E E Beh - 108 228 -130.0 118.2 -177.4 -159.6 17.1 168.1 227 -2.7 229 -2.4 0 0.0 0 0.0 16 67
196 A 202 VAL V E E Beh - 109 229 -104.3 136.4 178.2 -161.0 6.7 143.7 108 -3.0 110 -3.0 0 0.0 198 -0.5 13 79
197 A 203 PHE F E E Beh + 110 230 -115.2 117.6 -178.3 177.4 10.2 164.6 229 -2.6 231 -1.6 0 0.0 0 0.0 11 73
198 A 204 THR T e - 0 0 -86.7 -46.7 -178.5 -58.8 53.8 24.7 110 -2.2 0 0.0 196 -0.5 0 0.0 15 69
199 A 205 ASN N - 0 0 176.2 171.6 178.0 -124.2 36.7 164.3 0 0.0 112 -2.4 0 0.0 0 0.0 11 65
200 A 206 LEU L + 0 0 -142.7 122.4 178.7 144.0 37.3 164.1 0 0.0 0 0.0 0 0.0 0 0.0 10 52
201 A 207 SER S - 0 0 -144.4 176.3 179.3 -48.6 56.6 150.8 0 0.0 0 0.0 0 0.0 0 0.0 6 47
202 A 208 ARG R S S S+ 0 0 -56.4 128.4 179.7 101.8 81.4 106.8 0 0.0 0 0.0 0 0.0 0 0.0 10 45
203 A 209 ASP D + 0 0 166.4 157.1 178.5 36.5 59.9 141.8 0 0.0 0 0.0 0 0.0 0 0.0 8 46
204 A 210 HIS H h > > T + 0 0 59.3 18.6 -179.8 134.8 63.3 51.5 0 0.0 208 -2.7 0 0.0 207 -1.5 10 44
205 A 211 LEU L H H > 3 T + 0 0 -73.0 -9.0 177.4 70.7 62.8 50.9 0 0.0 209 -1.3 0 0.0 0 0.0 10 34
206 A 212 ASP D H H 4 3 TS+ 0 0 -72.8 -22.6 -179.9 29.8 113.2 40.1 0 0.0 0 0.0 0 0.0 0 0.0 8 26
207 A 213 TYR Y H H 4 < TS+ 0 0 -99.6 -50.6 -178.6 33.1 131.0 31.6 204 -1.5 0 0.0 0 0.0 0 0.0 5 31
208 A 214 HIS H H H < TS- 0 0 -83.9 -20.8 179.1 -141.2 89.6 45.8 204 -2.7 210 -1.0 0 0.0 0 0.0 8 31
209 A 215 GLY G h < T 0 0 94.8 -59.9 179.0 999.9 999.9 112.3 205 -1.3 0 0.0 0 0.0 0 0.0 8 23
210!A 216 ASP D 0 0 -147.6 999.9 999.9 999.9 999.9 161.1 208 -1.0 213 -1.9 0 0.0 0 0.0 6 24
211!A 218 GLU E h > T 0 0 999.9 -45.9 179.6 999.9 999.9 999.9 0 0.0 215 -2.0 0 0.0 0 0.0 5 26
212 A 219 HIS H H H > T + 0 0 -71.1 -34.1 179.5 55.6 999.9 31.8 0 0.0 216 -1.8 0 0.0 0 0.0 8 28
213 A 220 TYR Y H H 4 TS+ 0 0 -63.7 -44.9 178.4 46.1 109.8 21.4 210 -1.9 0 0.0 0 0.0 0 0.0 11 36
214 A 221 GLU E H H 4 TS+ 0 0 -62.9 -44.4 -180.0 54.1 110.0 23.6 0 0.0 0 0.0 0 0.0 0 0.0 8 44
215 A 222 ALA A H H < T 0 0 -59.2 -34.7 179.7 999.9 999.9 32.8 211 -2.0 218 -0.8 0 0.0 0 0.0 7 40
216!A 223 ALA A h < T 0 0 -66.3 999.9 999.9 999.9 999.9 23.6 212 -1.8 218 -0.5 0 0.0 0 0.0 11 44
217!A 225 TRP W h > > T 0 0 999.9 -25.9 178.9 999.9 999.9 999.9 0 0.0 221 -1.7 0 0.0 220 -1.2 7 54
218 A 226 LEU L H H > 3>T + 0 0 -54.2 -33.0 -179.9 65.5 999.9 35.7 215 -0.8 222 -2.8 216 -0.5 223 -0.5 10 45
219 A 227 LEU L H H 4 35TS+ 0 0 -59.0 -37.3 -178.9 34.1 111.2 28.2 0 0.0 0 0.0 0 0.0 0 0.0 11 57
220 A 228 TYR Y H H 4 <5TS+ 0 0 -91.4 -22.4 -178.4 37.4 127.1 45.4 217 -1.2 0 0.0 0 0.0 0 0.0 10 52
221 A 229 SER S H H < 5TS+ 0 0 -100.0 -32.9 -177.6 27.3 127.1 37.1 217 -1.7 0 0.0 0 0.0 0 0.0 6 37
222 A 230 GLU E T h < 5TS+ 0 0 -112.8 2.0 -179.5 65.1 109.7 66.6 218 -2.8 0 0.0 0 0.0 0 0.0 7 36
223 A 231 HIS H S t T - 0 250 -73.7 111.4 -178.9 -165.9 20.7 128.2 197 -1.6 234 -0.9 0 0.0 0 0.0 14 65
232 A 240 ALA A T e 3 TS+ 0 0 -80.0 -1.3 179.4 75.0 77.6 62.5 250 -3.3 0 0.0 230 -0.7 0 0.0 13 53
233 A 241 ASP D T T 3 TS+ 0 0 -83.6 -12.8 179.7 82.7 82.1 50.7 250 -0.5 0 0.0 0 0.0 0 0.0 11 48
234 A 242 ASP D S h > < TS- 0 0 -92.6 130.8 179.4 -137.7 80.0 140.8 231 -0.9 238 -2.1 0 0.0 0 0.0 9 43
235 A 243 GLU E H H > TS+ 0 0 -53.7 -39.7 179.2 50.5 108.6 27.9 0 0.0 239 -1.8 0 0.0 0 0.0 7 33
236 A 244 VAL V H H > TS+ 0 0 -64.7 -43.2 179.6 54.0 106.8 24.4 0 0.0 240 -2.2 0 0.0 0 0.0 9 39
237 A 245 GLY G H H > TS+ 0 0 -59.6 -37.4 179.5 53.3 106.0 29.7 0 0.0 241 -2.3 0 0.0 0 0.0 13 54
238 A 246 ARG R H H X TS+ 0 0 -65.0 -46.0 178.7 47.6 109.1 20.9 234 -2.1 242 -1.2 0 0.0 0 0.0 11 43
239 A 247 ARG R H H < TS+ 0 0 -63.2 -35.8 179.8 49.8 113.0 27.8 235 -1.8 0 0.0 0 0.0 0 0.0 8 37
240 A 248 TRP W H H X > TS+ 0 0 -70.1 -37.0 179.3 58.4 103.2 29.6 236 -2.2 243 -1.7 0 0.0 244 -0.8 9 48
241 A 249 LEU L H H < 3 TS+ 0 0 -62.1 -26.9 179.3 61.1 98.9 35.9 237 -2.3 0 0.0 0 0.0 0 0.0 13 45
242 A 250 ALA A T h < 3 TS+ 0 0 -73.0 -16.0 179.9 44.4 107.6 47.2 238 -1.2 0 0.0 0 0.0 0 0.0 7 35
243 A 251 LYS K T T 4 < TS+ 0 0 -102.3 -10.9 -178.5 59.5 109.3 59.1 240 -1.7 0 0.0 0 0.0 0 0.0 6 31
244 A 252 LEU L t < > T + 0 0 -125.0 87.6 -179.7 177.6 57.3 140.1 240 -0.8 247 -1.6 0 0.0 0 0.0 8 38
245 A 253 PRO P T T 3 TS+ 0 0 -56.3 -35.2 -178.7 48.5 83.1 37.4 0 0.0 261 -0.5 0 0.0 0 0.0 8 30
246 A 254 ASP D T T 3 TS+ 0 0 -92.3 9.9 -179.2 115.4 89.1 70.9 0 0.0 0 0.0 0 0.0 0 0.0 8 40
247 A 255 ALA A e < T - 0 0 -78.1 160.3 177.7 -119.8 67.0 108.5 244 -1.6 262 -0.9 0 0.0 249 -0.5 13 51
248 A 256 VAL V E E Bij - 229 262 -101.7 125.7 -179.7 -148.3 24.1 153.1 228 -3.1 230 -2.9 0 0.0 0 0.0 15 60
249 A 257 ALA A E E Bij - 230 263 -96.2 133.8 -179.7 -167.8 12.3 143.0 262 -2.6 264 -1.9 247 -0.5 0 0.0 14 62
250 A 258 VAL V E E Bij 231 264 -124.6 132.4 -178.8 999.9 999.9 168.5 230 -2.4 232 -3.3 0 0.0 233 -0.5 15 69
251!A 259 SER S E E B j 0 265 -141.7 999.9 999.9 999.9 999.9 170.3 264 -2.2 266 -2.0 0 0.0 0 0.0 13 57
252!A 261 GLU E 0 0 999.9 38.2 177.9 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 5 38
253 A 262 ASP D + 0 0 56.8 50.8 179.8 131.7 999.9 25.4 0 0.0 0 0.0 0 0.0 0 0.0 8 34
254 A 263 HIS H + 0 0 -111.5 5.1 178.9 116.4 31.5 70.5 0 0.0 0 0.0 0 0.0 0 0.0 7 39
255 A 264 ILE I - 0 0 -77.0 135.8 178.4 -165.6 45.3 125.7 0 0.0 0 0.0 0 0.0 0 0.0 12 42
256 A 265 ASN N t > > T - 0 0 -122.9 95.3 -179.6 -165.7 5.0 152.6 0 0.0 260 -3.1 0 0.0 259 -2.0 6 37
257 A 266 PRO P T T 4 3 TS+ 0 0 -55.1 -19.1 179.8 59.8 87.8 46.2 0 0.0 0 0.0 0 0.0 0 0.0 8 30
258 A 267 ASN N T T 4 3 TS+ 0 0 -83.3 -20.7 -179.3 23.1 120.1 44.9 0 0.0 0 0.0 0 0.0 0 0.0 5 22
259 A 268 CYS C T T 4 < TS+ 0 0 -117.0 -25.4 179.4 76.0 107.8 49.6 256 -2.0 261 -0.7 0 0.0 0 0.0 5 29
260 A 269 HIS H t < T - 0 0 -93.4 116.4 -179.4 -159.2 62.3 145.4 256 -3.1 0 0.0 0 0.0 0 0.0 13 40
261 A 270 GLY G S S S+ 0 0 -59.1 -46.3 179.0 13.9 80.7 25.2 259 -0.7 0 0.0 245 -0.5 0 0.0 10 36
262 A 271 ARG R E E Bj S+ 248 0 -131.9 141.6 -177.0 164.1 81.1 169.5 247 -0.9 249 -2.6 0 0.0 0 0.0 11 45
263 A 272 TRP W E E Bj - 249 0 -153.7 169.4 178.8 -157.1 26.4 162.8 0 0.0 283 -2.1 0 0.0 0 0.0 13 56
264 A 273 LEU L E E BjK + 250 282 -152.6 128.9 -179.8 175.7 20.6 162.1 249 -1.9 251 -2.2 0 0.0 0 0.0 15 60
265 A 274 LYS K E E BjK - 251 281 -145.0 144.1 179.0 -122.2 31.3 177.4 281 -2.9 281 -2.5 0 0.0 0 0.0 12 51
266 A 275 ALA A E E B K + 0 280 -80.5 131.4 180.0 179.9 23.7 131.3 251 -2.0 0 0.0 0 0.0 0 0.0 13 49
267 A 276 THR T E E B * S+ 0 0 -102.5 -30.7 179.0 15.0 70.7 44.7 279 -3.4 0 0.0 0 0.0 0 0.0 9 35
268 A 277 GLU E E E B K - 0 279 -148.5 134.3 179.2 -176.6 61.3 170.1 279 -1.6 279 -3.4 0 0.0 0 0.0 8 31
269 A 278 VAL V E E B K - 0 278 -136.1 122.6 179.4 -172.8 2.3 167.5 0 0.0 271 -0.5 0 0.0 0 0.0 9 39
270 A 279 ASN N E E B K - 0 277 -116.8 123.3 -179.7 -154.0 11.9 164.1 277 -2.3 277 -2.7 0 0.0 0 0.0 7 30
271 A 280 TYR Y E E B K + 0 276 -99.5 140.1 178.8 131.0 31.5 141.1 269 -0.5 0 0.0 0 0.0 0 0.0 9 32
272 A 281 HIS H e + 0 0 -146.9 -129.2 -179.1 21.8 58.8 108.8 275 -1.9 274 -1.9 0 0.0 0 0.0 7 29
273 A 282 ASP D S S S- 0 0 -56.5 82.1 -179.4 -62.1 124.2 107.0 0 0.0 0 0.0 0 0.0 0 0.0 6 36
274 A 283 SER S S S S+ 0 0 42.1 29.2 179.4 75.3 127.0 42.3 272 -1.9 0 0.0 0 0.0 0 0.0 10 49
275 A 284 GLY G e - 0 0 -145.5 -168.7 -180.0 -136.0 68.9 138.3 0 0.0 272 -1.9 0 0.0 0 0.0 11 45
276 A 285 ALA A E E BKL - 271 291 -163.4 149.5 177.9 -130.6 12.8 168.9 291 -2.3 291 -3.1 0 0.0 278 -0.6 15 41
277 A 286 THR T E E BKL - 270 290 -99.8 123.5 -178.2 -163.8 31.6 152.9 270 -2.7 270 -2.3 0 0.0 279 -0.5 12 38
278 A 287 ILE I E E BKL - 269 289 -119.0 121.9 177.5 -168.9 11.3 160.2 289 -3.2 289 -3.1 276 -0.6 0 0.0 14 49
279 A 288 ARG R E E BKL + 268 288 -104.3 130.5 -178.1 172.8 22.2 154.1 268 -3.4 267 -3.4 277 -0.5 268 -1.6 12 39
280 A 289 PHE F E E BKL - 266 287 -140.0 163.4 178.4 -154.0 27.1 159.5 287 -2.4 287 -1.8 0 0.0 0 0.0 12 46
281 A 290 SER S E E BK + 265 0 -131.0 147.8 -179.9 162.7 25.7 161.5 265 -2.5 265 -2.9 0 0.0 0 0.0 11 41
282 A 291 SER S E E BK > T - 264 0 -156.6 175.8 179.2 -94.0 54.8 162.3 0 0.0 285 -0.9 0 0.0 0 0.0 10 51
283 A 292 SER S T e 3 TS+ 0 0 -70.5 -15.2 -180.0 50.5 125.9 50.4 263 -2.1 0 0.0 0 0.0 0 0.0 7 41
284 A 293 TRP W T T 3 TS- 0 0 -99.9 -6.6 -178.7 -81.4 126.2 59.9 0 0.0 0 0.0 0 0.0 0 0.0 6 37
285 A 294 GLY G t < T - 0 0 128.3 171.3 -178.9 -79.6 47.5 128.4 282 -0.9 0 0.0 0 0.0 0 0.0 7 33
286 A 295 ASP D + 0 0 -106.3 173.3 179.8 138.3 46.8 121.3 0 0.0 0 0.0 0 0.0 0 0.0 8 33
287 A 296 GLY G E E BL - 280 0 171.7 -179.5 -179.9 -93.4 42.4 169.0 280 -1.8 280 -2.4 0 0.0 0 0.0 8 37
288 A 297 GLU E E E BL - 279 0 -125.6 135.5 -179.4 -162.7 28.4 168.2 0 0.0 0 0.0 0 0.0 0 0.0 9 38
289 A 298 ILE I E E BL - 278 0 -124.2 129.6 177.7 -151.8 11.7 165.1 278 -3.1 278 -3.2 0 0.0 291 -0.8 10 50
290 A 299 GLU E E E BL - 277 0 -97.7 105.8 -179.2 -169.4 24.9 148.7 0 0.0 0 0.0 0 0.0 0 0.0 10 44
291 A 300 SER S E E BL - 276 0 -99.3 145.2 179.1 -160.4 24.4 137.9 276 -3.1 276 -2.3 289 -0.8 0 0.0 12 51
292 A 301 HIS H 0 0 -107.9 21.3 178.0 999.9 999.9 85.0 0 0.0 0 0.0 0 0.0 0 0.0 11 48
293!A 302 LEU L 0 0 -102.3 999.9 999.9 999.9 999.9 142.8 0 0.0 0 0.0 0 0.0 0 0.0 11 60
294!A 304 GLY G h > T 0 0 999.9 160.0 179.6 999.9 999.9 999.9 0 0.0 298 -0.7 0 0.0 0 0.0 13 56
295 A 305 ALA A H H > > T + 0 0 -65.2 -36.6 179.5 63.1 999.9 33.1 0 0.0 299 -1.8 0 0.0 298 -0.6 7 57
296 A 306 PHE F H H > 3 TS+ 0 0 -57.0 -41.8 -180.0 48.0 103.9 25.0 0 0.0 300 -1.6 0 0.0 0 0.0 8 64
297 A 307 ASN N H H > 3 TS+ 0 0 -74.0 -18.3 177.5 61.4 103.0 44.9 0 0.0 301 -2.0 0 0.0 0 0.0 9 70
298 A 308 VAL V H H X < TS+ 0 0 -70.5 -40.3 179.2 47.9 106.1 24.0 294 -0.7 302 -2.3 295 -0.6 0 0.0 12 65
299 A 309 SER S H H X TS+ 0 0 -65.6 -40.1 179.4 50.7 110.4 28.0 295 -1.8 303 -2.0 0 0.0 0 0.0 9 73
300 A 310 ASN N H H X TS+ 0 0 -65.5 -40.5 179.4 46.7 112.2 25.4 296 -1.6 304 -1.9 0 0.0 0 0.0 12 71
301 A 311 LEU L H H X TS+ 0 0 -68.3 -39.7 179.4 52.9 110.4 26.7 297 -2.0 305 -2.7 0 0.0 0 0.0 10 70
302 A 312 LEU L H H X TS+ 0 0 -63.2 -38.6 179.0 50.7 108.5 27.3 298 -2.3 306 -2.6 0 0.0 0 0.0 12 76
303 A 313 LEU L H H X TS+ 0 0 -65.7 -41.3 179.4 48.2 111.0 23.6 299 -2.0 307 -1.9 0 0.0 0 0.0 15 78
304 A 314 ALA A H H X TS+ 0 0 -64.4 -42.5 179.8 49.6 112.4 23.4 300 -1.9 308 -2.1 0 0.0 0 0.0 12 81
305 A 315 LEU L H H X TS+ 0 0 -62.0 -48.7 -179.7 49.0 110.0 20.9 301 -2.7 309 -2.4 0 0.0 0 0.0 10 77
306 A 316 ALA A H H X TS+ 0 0 -60.1 -37.8 180.0 52.7 110.7 28.4 302 -2.6 310 -2.6 0 0.0 0 0.0 13 70
307 A 317 THR T H H X TS+ 0 0 -63.5 -48.6 -179.2 45.8 110.2 20.6 303 -1.9 311 -1.7 0 0.0 0 0.0 11 68
308 A 318 LEU L H H < >TS+ 0 0 -64.2 -40.1 177.6 48.5 114.2 26.3 304 -2.1 313 -2.5 0 0.0 0 0.0 11 68
309 A 319 LEU L H H < >5TS+ 0 0 -63.6 -46.0 179.9 50.5 111.0 20.7 305 -2.4 312 -2.0 0 0.0 0 0.0 11 54
310 A 320 ALA A H H < 35TS+ 0 0 -61.4 -28.6 179.6 56.2 107.4 35.4 306 -2.6 0 0.0 0 0.0 0 0.0 9 49
311 A 321 LEU L T h < 35TS- 0 0 -84.7 3.1 178.0 -100.3 126.3 68.7 307 -1.7 0 0.0 0 0.0 0 0.0 8 49
312 A 322 GLY G T T <5TS+ 0 0 95.5 1.9 178.7 145.6 70.8 59.7 309 -2.0 0 0.0 0 0.0 0 0.0 6 37
313 A 323 TYR Y t T - 0 0 -65.3 130.1 179.9 -139.6 16.9 113.2 0 0.0 318 -1.9 0 0.0 0 0.0 7 31
315 A 325 LEU L H H > TS+ 0 0 -53.3 -46.3 -179.5 59.0 101.4 24.5 0 0.0 319 -2.6 0 0.0 0 0.0 9 40
316 A 326 ALA A H H > TS+ 0 0 -51.1 -47.5 -179.4 43.2 109.1 24.4 0 0.0 320 -1.6 0 0.0 0 0.0 6 32
317 A 327 ASP D H H > TS+ 0 0 -70.9 -31.4 178.7 55.0 110.8 35.0 0 0.0 321 -1.2 0 0.0 0 0.0 9 34
318 A 328 LEU L H H X TS+ 0 0 -67.4 -39.0 180.0 48.9 108.9 25.8 314 -1.9 322 -1.2 0 0.0 0 0.0 12 48
319 A 329 LEU L H H < TS+ 0 0 -68.1 -37.5 -179.7 55.7 106.5 30.7 315 -2.6 0 0.0 0 0.0 0 0.0 11 44
320 A 330 LYS K H H < TS+ 0 0 -65.9 -30.4 -178.0 36.8 116.2 35.2 316 -1.6 0 0.0 0 0.0 0 0.0 7 31
321 A 331 THR T H H < > TS+ 0 0 -100.1 -10.8 -178.9 95.0 87.2 55.1 317 -1.2 324 -2.1 0 0.0 0 0.0 11 35
322 A 332 ALA A G h < > TS+ 0 0 -48.4 -40.8 -178.5 62.4 78.6 33.7 318 -1.2 325 -1.6 0 0.0 0 0.0 11 51
323 A 333 ALA A G G 3 TS+ 0 0 -62.9 -19.3 -179.8 58.6 96.6 48.1 0 0.0 0 0.0 0 0.0 0 0.0 10 42
324 A 334 ARG R G G < TS+ 0 0 -90.3 -3.8 179.2 119.7 76.2 58.8 321 -2.1 0 0.0 0 0.0 0 0.0 5 33
325 A 335 LEU L g < T - 0 0 -61.9 138.8 -178.2 -148.8 52.9 110.6 322 -1.6 0 0.0 0 0.0 0 0.0 11 50
326 A 336 GLN Q - 0 0 -114.9 144.8 179.4 -115.6 11.5 149.9 0 0.0 0 0.0 0 0.0 0 0.0 9 45
327 A 337 PRO P - 0 0 -72.0 163.2 -179.1 -107.9 36.3 107.9 0 0.0 0 0.0 0 0.0 0 0.0 12 55
328 A 338 VAL V t > T - 0 0 -94.3 142.9 -179.3 -100.5 35.3 135.4 0 0.0 331 -1.7 0 0.0 0 0.0 10 60
329 A 339 CYS C T T 3 TS+ 0 0 -62.1 139.7 -179.7 23.2 107.6 107.2 0 0.0 0 0.0 0 0.0 0 0.0 8 54
330 A 340 GLY G T T 3 T 0 0 85.2 -2.1 179.8 999.9 999.9 65.1 0 0.0 346 -0.5 0 0.0 0 0.0 12 55
331!A 341 ARG R t < T 0 0 -124.4 999.9 999.9 999.9 999.9 161.0 328 -1.7 0 0.0 0 0.0 0 0.0 11 65
332!A 343 GLU E e 0 0 999.9 115.7 -177.7 999.9 999.9 999.9 0 0.0 344 -2.4 0 0.0 334 -0.5 13 57
333 A 344 VAL V E E CM - 343 0 -98.0 124.7 179.0 -167.3 999.9 141.9 0 0.0 480 -1.2 0 0.0 481 -1.0 11 63
334 A 345 PHE F E E CM + 342 0 -109.2 121.5 -179.9 176.0 12.4 159.0 342 -3.3 342 -2.5 332 -0.5 0 0.0 15 52
335 A 346 THR T + 0 0 -131.6 131.7 179.5 160.3 7.0 171.8 0 0.0 0 0.0 0 0.0 0 0.0 12 42
336 A 347 ALA A t > T - 0 0 -146.3 142.2 180.0 -95.3 45.4 174.5 0 0.0 339 -1.8 0 0.0 0 0.0 10 30
337 A 348 PRO P T T 3 TS+ 0 0 -59.0 141.8 179.2 18.2 109.4 105.7 0 0.0 0 0.0 0 0.0 0 0.0 5 25
338 A 349 GLY G T T 3 TS+ 0 0 77.1 3.8 -179.9 90.2 113.0 59.1 0 0.0 0 0.0 0 0.0 0 0.0 5 21
339 A 350 LYS K S t < TS- 0 0 -133.0 154.7 179.8 -100.3 81.5 159.8 336 -1.8 0 0.0 0 0.0 0 0.0 12 40
340 A 351 PRO P - 0 0 -67.3 157.5 178.0 -102.5 44.8 106.8 0 0.0 0 0.0 0 0.0 0 0.0 14 49
341 A 352 THR T E E C n - 0 444 -80.4 134.0 -179.1 -155.8 39.9 132.9 443 -2.1 445 -2.5 0 0.0 0 0.0 13 57
342 A 353 VAL V E E CMn - 334 445 -119.1 130.9 179.8 -164.6 8.8 163.1 334 -2.5 334 -3.3 0 0.0 344 -0.5 13 72
343 A 354 VAL V E E CMn - 333 446 -116.0 121.9 178.7 -160.7 3.5 162.4 445 -3.1 447 -3.3 0 0.0 345 -0.6 12 75
344 A 355 VAL V E E C n + 0 447 -102.2 123.9 -180.0 170.2 21.6 154.3 332 -2.4 0 0.0 342 -0.5 0 0.0 14 70
345 A 356 ASP D E E C n - 0 448 -137.5 153.1 -178.4 -136.1 41.2 166.6 447 -2.4 449 -1.0 343 -0.6 451 -1.0 14 69
346 A 357 TYR Y + 0 0 -77.5 -18.4 -179.0 140.9 53.2 49.8 330 -0.5 0 0.0 0 0.0 0 0.0 11 62
347 A 358 ALA A + 0 0 -32.8 106.1 179.3 152.8 8.8 87.9 0 0.0 0 0.0 0 0.0 0 0.0 11 64
348 A 359 HIS H + 0 0 -127.5 16.4 177.7 74.6 49.4 81.4 0 0.0 0 0.0 0 0.0 0 0.0 10 65
349 A 360 THR T S h > TS- 0 0 -126.2 153.7 179.9 -112.2 87.7 156.8 0 0.0 353 -2.5 0 0.0 0 0.0 9 54
350 A 361 PRO P H H > TS+ 0 0 -49.3 -48.4 -178.9 46.7 118.1 23.9 0 0.0 354 -2.0 0 0.0 0 0.0 10 51
351 A 362 ASP D H H > TS+ 0 0 -63.4 -43.0 -179.9 49.3 111.8 27.1 0 0.0 355 -1.9 0 0.0 0 0.0 8 47
352 A 363 ALA A H H > TS+ 0 0 -65.0 -41.4 -179.6 51.6 109.8 26.3 0 0.0 356 -2.1 0 0.0 0 0.0 10 60
353 A 364 LEU L H H X TS+ 0 0 -62.9 -44.7 178.6 53.0 107.5 22.7 349 -2.5 357 -2.8 0 0.0 0 0.0 13 61
354 A 365 GLU E H H X TS+ 0 0 -54.7 -51.3 -179.5 44.4 112.1 20.6 350 -2.0 358 -2.2 0 0.0 0 0.0 11 49
355 A 366 LYS K H H X TS+ 0 0 -64.5 -34.2 179.7 51.6 113.1 33.9 351 -1.9 359 -1.7 0 0.0 0 0.0 11 51
356 A 367 ALA A H H X TS+ 0 0 -69.4 -44.9 179.7 44.6 112.4 21.4 352 -2.1 360 -2.5 0 0.0 0 0.0 12 60
357 A 368 LEU L H H X TS+ 0 0 -67.1 -36.4 179.3 53.3 111.7 30.3 353 -2.8 361 -1.9 0 0.0 0 0.0 13 58
358 A 369 GLN Q H H X TS+ 0 0 -65.3 -39.6 180.0 43.1 113.6 26.8 354 -2.2 362 -0.6 0 0.0 0 0.0 9 43
359 A 370 ALA A H H X > TS+ 0 0 -73.0 -39.1 -179.8 55.4 111.0 28.7 355 -1.7 362 -0.7 0 0.0 363 -0.6 10 55
360 A 371 ALA A H H < > TS+ 0 0 -63.5 -33.7 -179.0 53.7 104.8 32.2 356 -2.5 363 -0.6 0 0.0 0 0.0 13 59
361 A 372 ARG R H H < > TS+ 0 0 -76.8 -17.3 179.6 74.3 91.2 45.3 357 -1.9 364 -1.3 0 0.0 0 0.0 10 47
362 A 373 LEU L H H < < TS+ 0 0 -61.6 -36.6 -179.8 31.7 108.6 30.1 359 -0.7 0 0.0 358 -0.6 0 0.0 6 40
363 A 374 HIS H T h < < TS+ 0 0 -108.3 24.1 -179.5 107.9 98.3 88.1 359 -0.6 365 -0.7 360 -0.6 0 0.0 9 41
364 A 375 CYS C t < T + 0 0 -109.1 110.0 179.7 167.7 32.4 152.9 361 -1.3 0 0.0 0 0.0 0 0.0 11 39
365 A 376 ALA A S S S+ 0 0 -86.9 -30.7 179.4 35.0 74.6 38.3 363 -0.7 0 0.0 442 -0.6 0 0.0 7 28
366 A 377 GLY G S S S- 0 0 -96.6 -140.2 179.8 -37.8 114.9 77.6 442 -2.2 0 0.0 0 0.0 0 0.0 8 31
367 A 378 LYS K e - 0 0 -90.9 148.1 179.7 -134.0 50.1 128.7 0 0.0 444 -2.1 0 0.0 369 -0.6 12 39
368 A 379 LEU L E E Co - 444 0 -103.9 120.5 179.3 -163.6 19.9 153.1 0 0.0 394 -1.9 0 0.0 395 -1.8 14 52
369 A 380 TRP W E E Cop - 445 395 -102.3 146.6 178.7 -159.0 2.9 143.1 444 -3.1 446 -3.0 367 -0.6 0 0.0 15 61
370 A 381 CYS C E E Cop - 446 396 -130.8 109.1 179.0 -174.2 6.7 158.7 395 -2.6 397 -2.9 0 0.0 372 -0.6 15 73
371 A 382 VAL V E E Cop + 447 397 -102.4 118.4 -178.1 130.8 31.9 154.7 446 -2.9 448 -2.3 0 0.0 0 0.0 15 74
372 A 383 PHE F E E C p - 0 398 -158.6 172.6 178.7 -176.2 29.3 165.2 397 -2.0 399 -2.7 370 -0.6 0 0.0 12 78
373 A 384 GLY G - 0 0 -158.8 -177.4 179.2 -108.5 26.3 153.0 0 0.0 0 0.0 0 0.0 0 0.0 11 74
374 A 385 CYS C - 0 0 -128.4 151.2 -178.4 -102.2 32.9 160.4 0 0.0 401 -0.6 0 0.0 0 0.0 14 67
375 A 386 GLY G - 0 0 -76.3 137.3 178.8 -126.8 30.8 118.1 0 0.0 0 0.0 0 0.0 0 0.0 11 58
376 A 387 GLY G S S S+ 0 0 -75.8 158.7 -179.5 29.0 90.1 112.3 402 -3.1 0 0.0 0 0.0 0 0.0 13 46
377 A 388 ASP D S S S+ 0 0 58.0 41.1 178.6 92.8 107.8 28.8 0 0.0 0 0.0 0 0.0 0 0.0 9 36
378 A 389 ARG R S S S- 0 0 -151.6 174.7 -178.4 -30.6 88.4 157.2 0 0.0 0 0.0 0 0.0 0 0.0 7 42
379 A 390 ASP D - 0 0 -33.9 101.3 179.9 -173.8 49.5 89.8 0 0.0 0 0.0 0 0.0 0 0.0 10 38
380 A 391 LYS K S t > TS+ 0 0 -72.8 -28.8 -178.9 70.3 74.4 37.6 0 0.0 383 -1.2 0 0.0 0 0.0 8 43
381 A 392 GLY G T T > 3 TS+ 0 0 -60.6 -31.8 -179.7 57.3 90.5 38.7 0 0.0 385 -0.7 0 0.0 0 0.0 6 38
382 A 393 LYS K T T 4 3 TS+ 0 0 -75.1 -15.6 -179.4 79.4 89.0 47.3 0 0.0 0 0.0 0 0.0 0 0.0 10 47
383 A 394 ARG R T T 4 < TS+ 0 0 -57.8 -52.1 179.9 45.0 92.8 20.6 380 -1.2 0 0.0 0 0.0 0 0.0 12 55
384 A 395 PRO P T T 4 T 0 0 -61.0 -37.8 -179.6 999.9 999.9 27.8 0 0.0 387 -1.9 0 0.0 0 0.0 11 42
385!A 396 LEU L t < T 0 0 -63.0 999.9 999.9 999.9 999.9 27.1 381 -0.7 388 -1.8 0 0.0 0 0.0 10 44
386!A 398 GLY G h > T 0 0 999.9 -42.6 179.8 999.9 999.9 999.9 0 0.0 390 -2.4 0 0.0 0 0.0 11 57
387 A 399 ALA A H H > T + 0 0 -63.5 -38.5 179.6 50.7 999.9 29.2 384 -1.9 391 -1.4 0 0.0 0 0.0 11 45
388 A 400 ILE I H H > TS+ 0 0 -66.9 -44.8 -179.7 47.3 110.6 23.6 385 -1.8 392 -2.7 0 0.0 0 0.0 11 53
389 A 401 ALA A H H > TS+ 0 0 -62.4 -47.0 -180.0 51.6 111.3 19.4 0 0.0 393 -1.9 0 0.0 0 0.0 12 60
390 A 402 GLU E H H < TS+ 0 0 -59.5 -32.6 -178.5 38.9 117.5 36.3 386 -2.4 0 0.0 0 0.0 0 0.0 11 45
391 A 403 GLU E H H < TS+ 0 0 -88.7 -39.9 -177.8 33.5 123.9 29.8 387 -1.4 0 0.0 0 0.0 0 0.0 7 37
392 A 404 PHE F H H < TS+ 0 0 -97.0 -5.8 179.3 61.9 112.1 59.1 388 -2.7 0 0.0 0 0.0 0 0.0 9 43
393 A 405 ALA A h < T - 0 0 -120.4 153.4 -180.0 -145.8 65.3 152.3 389 -1.9 0 0.0 0 0.0 0 0.0 13 51
394 A 406 ASP D S S S+ 0 0 -85.1 -29.9 179.1 28.2 93.4 39.1 368 -1.9 0 0.0 0 0.0 0 0.0 10 46
395 A 407 VAL V E E Cp S- 369 0 -135.9 123.4 -180.0 -161.2 71.0 170.4 368 -1.8 370 -2.6 0 0.0 397 -0.6 11 50
396 A 408 ALA A E E Cp - 370 0 -109.9 116.5 179.3 -172.2 4.3 156.4 0 0.0 425 -2.6 0 0.0 398 -0.7 12 61
397 A 409 VAL V E E Cpe - 371 425 -109.4 101.7 -179.6 -161.6 9.8 152.3 370 -2.9 372 -2.0 395 -0.6 399 -0.5 13 57
398 A 410 VAL V E E Cp + 372 0 -87.5 123.2 -179.2 145.0 26.8 137.2 425 -1.3 0 0.0 396 -0.7 0 0.0 12 62
399 A 411 THR T e - 0 0 -137.2 -165.0 179.7 -63.4 48.7 127.4 372 -2.7 0 0.0 397 -0.5 0 0.0 13 55
400 A 412 ASP D + 0 0 -89.8 159.8 177.9 174.8 36.6 121.3 0 0.0 0 0.0 0 0.0 0 0.0 14 58
401 A 413 ASP D S S S- 0 0 -122.7 -103.7 176.7 -25.0 75.3 71.8 374 -0.6 0 0.0 0 0.0 0 0.0 13 67
402 A 414 ASN N + 0 0 -119.9 86.7 -179.6 179.0 64.6 144.0 0 0.0 376 -3.1 0 0.0 0 0.0 10 53
403 A 415 A PRO P t > T + 0 0 -57.6 -29.7 -178.0 172.0 13.0 42.7 0 0.0 406 -2.4 0 0.0 0 0.0 16 44
404 A 416 ARG R B B f 3 TS- 458 0 49.8 -127.6 -178.1 -18.0 70.8 104.7 457 -2.6 459 -2.7 0 0.0 0 0.0 12 34
405 A 417 THR T T T 3 TS+ 0 0 -90.7 3.9 179.1 97.0 115.7 65.9 0 0.0 0 0.0 0 0.0 0 0.0 9 27
406 A 418 GLU E S t < TS- 0 0 -93.4 150.7 178.0 -96.4 86.5 130.7 403 -2.4 0 0.0 0 0.0 0 0.0 10 32
407 A 419 GLU E h > T - 0 0 -63.0 127.1 -179.3 -132.1 32.8 116.4 0 0.0 411 -1.8 0 0.0 0 0.0 8 29
408 A 420 PRO P H H > TS+ 0 0 -47.0 -46.7 -176.2 41.8 102.6 28.1 0 0.0 412 -1.5 0 0.0 0 0.0 10 37
409 A 421 ARG R H H > TS+ 0 0 -74.2 -33.7 178.7 63.2 103.6 38.0 0 0.0 413 -3.3 0 0.0 0 0.0 7 39
410 A 422 ALA A H H > TS+ 0 0 -57.6 -44.4 -179.8 47.5 106.1 22.3 0 0.0 414 -1.5 0 0.0 0 0.0 8 36
411 A 423 ILE I H H X TS+ 0 0 -63.3 -42.7 -179.6 50.9 111.7 24.6 407 -1.8 415 -1.4 0 0.0 0 0.0 14 45
412 A 424 ILE I H H X TS+ 0 0 -63.5 -38.6 179.6 55.2 105.5 29.2 408 -1.5 416 -2.3 0 0.0 0 0.0 13 53
413 A 425 ASN N H H X TS+ 0 0 -64.0 -35.9 179.2 53.7 104.9 30.1 409 -3.3 417 -1.9 0 0.0 0 0.0 8 41
414 A 426 ASP D H H < TS+ 0 0 -66.4 -35.6 179.1 48.6 109.4 30.7 410 -1.5 0 0.0 0 0.0 0 0.0 11 43
415 A 427 ILE I H H < > TS+ 0 0 -68.9 -46.0 -179.8 47.7 111.8 22.0 411 -1.4 418 -1.4 0 0.0 0 0.0 13 54
416 A 428 LEU L H H < 3 TS+ 0 0 -64.0 -32.7 -179.4 71.0 98.5 34.3 412 -2.3 0 0.0 0 0.0 0 0.0 12 43
417 A 429 ALA A T h < 3 T 0 0 -60.1 -15.5 180.0 999.9 999.9 49.6 413 -1.9 0 0.0 0 0.0 0 0.0 8 32
418!A 430 GLY G t < T 0 0 -94.2 999.9 999.9 999.9 999.9 58.6 415 -1.4 0 0.0 0 0.0 0 0.0 10 32
419!A 432 LEU L 0 0 999.9 -29.6 179.6 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 4 23
420 A 433 ASP D g > T - 0 0 -147.4 93.3 -179.1 -178.2 999.9 137.8 0 0.0 423 -1.3 0 0.0 0 0.0 6 29
421 A 434 ALA A G G > TS+ 0 0 -56.8 -50.8 -179.1 66.2 79.1 23.4 0 0.0 424 -2.8 0 0.0 0 0.0 7 32
422 A 435 GLY G G G 3 TS+ 0 0 -50.0 -14.9 -179.4 67.1 90.7 51.4 0 0.0 0 0.0 0 0.0 0 0.0 5 23
423 A 436 HIS H G G < TS+ 0 0 -79.8 -22.6 -179.6 85.5 86.0 42.7 420 -1.3 0 0.0 0 0.0 0 0.0 5 29
424 A 437 ALA A S g < TS- 0 0 -82.2 145.0 179.2 -125.9 80.6 122.3 421 -2.8 426 -0.8 0 0.0 0 0.0 12 41
425 A 438 LYS K B B e 397 0 -93.4 108.1 -179.9 999.9 999.9 143.8 396 -2.6 398 -1.3 0 0.0 0 0.0 8 43
426!A 439 VAL V 0 0 -93.8 999.9 999.9 999.9 999.9 137.7 424 -0.8 0 0.0 0 0.0 0 0.0 6 42
427!A 441 GLU E 0 0 999.9 158.3 -178.6 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 10 38
428 A 442 GLY G h > T - 0 0 88.1 94.2 -178.3 -145.7 999.9 37.5 0 0.0 432 -2.1 0 0.0 0 0.0 7 41
429 A 443 ARG R H H > TS+ 0 0 -59.0 -48.0 -179.8 54.8 95.7 23.8 0 0.0 433 -2.8 0 0.0 0 0.0 9 53
430 A 444 ALA A H H > TS+ 0 0 -52.9 -46.5 -180.0 45.6 111.7 23.2 0 0.0 434 -2.0 0 0.0 0 0.0 9 45
431 A 445 GLU E H H > TS+ 0 0 -63.4 -43.3 -179.7 52.4 111.6 26.1 0 0.0 435 -2.8 0 0.0 0 0.0 8 32
432 A 446 ALA A H H X TS+ 0 0 -59.9 -50.3 179.2 46.7 110.0 21.8 428 -2.1 436 -2.4 0 0.0 0 0.0 12 44
433 A 447 VAL V H H X TS+ 0 0 -59.5 -43.7 179.7 49.8 113.8 23.3 429 -2.8 437 -2.7 0 0.0 0 0.0 13 55
434 A 448 THR T H H < TS+ 0 0 -61.0 -49.0 179.7 48.7 110.6 20.0 430 -2.0 0 0.0 0 0.0 0 0.0 10 46
435 A 449 CYS C H H < TS+ 0 0 -58.4 -45.4 -179.9 46.2 114.2 23.5 431 -2.8 0 0.0 0 0.0 0 0.0 7 39
436 A 450 ALA A H H < T 0 0 -64.4 -48.2 180.0 999.9 999.9 20.5 432 -2.4 439 -2.4 0 0.0 0 0.0 11 49
437!A 451 VAL V h < T 0 0 -63.5 999.9 999.9 999.9 999.9 26.5 433 -2.7 0 0.0 0 0.0 0 0.0 11 53
438!A 453 GLN Q 0 0 999.9 -31.1 -179.9 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 5 34
439 A 454 ALA A - 0 0 -64.4 144.1 179.8 -123.6 999.9 109.0 436 -2.4 0 0.0 0 0.0 0 0.0 12 42
440 A 455 LYS K t > T - 0 0 -86.6 167.8 -178.1 -97.8 26.8 112.4 0 0.0 443 -2.0 0 0.0 0 0.0 8 32
441 A 456 GLU E T T 3 TS+ 0 0 -54.9 -34.1 -179.8 46.8 123.4 38.9 0 0.0 0 0.0 0 0.0 0 0.0 9 30
442 A 457 ASN N T T 3 TS+ 0 0 -91.9 6.1 179.1 96.7 98.7 68.3 0 0.0 366 -2.2 0 0.0 365 -0.6 11 32
443 A 458 ASP D e < T - 0 0 -89.3 167.7 178.3 -141.0 64.8 115.3 440 -2.0 341 -2.1 0 0.0 0 0.0 14 42
444 A 459 VAL V E E Cno - 341 368 -132.0 131.1 179.1 -158.9 7.0 177.1 367 -2.1 369 -3.1 0 0.0 446 -0.5 16 56
445 A 460 VAL V E E Cno - 342 369 -113.6 119.8 178.5 -158.5 4.6 162.7 341 -2.5 343 -3.1 0 0.0 447 -0.7 15 67
446 A 461 LEU L E E Cno - 343 370 -98.6 117.4 179.0 -166.6 3.9 152.5 369 -3.0 371 -2.9 444 -0.5 448 -0.8 14 76
447 A 462 VAL V E E Cno + 344 371 -105.7 103.1 -175.8 177.1 23.7 153.3 343 -3.3 345 -2.4 445 -0.7 0 0.0 13 77
448 A 463 ALA A E E Cn + 345 0 -115.1 160.6 178.6 45.3 38.6 135.1 371 -2.3 0 0.0 446 -0.8 0 0.0 15 73
449 A 464 GLY G S e S+ 0 0 109.8 -32.2 -176.2 53.8 104.1 95.5 345 -1.0 0 0.0 0 0.0 0 0.0 12 69
450 A 465 LYS K t > T + 0 0 -105.0 -38.6 -178.8 165.0 62.3 40.2 0 0.0 453 -2.1 0 0.0 0 0.0 13 61
451 A 466 GLY G T T 3 TS- 0 0 59.4 -113.5 -178.3 -0.8 77.4 109.3 345 -1.0 0 0.0 0 0.0 0 0.0 14 62
452 A 467 HIS H T T 3 TS+ 0 0 -83.5 -18.4 -178.2 128.1 97.5 52.2 0 0.0 0 0.0 0 0.0 0 0.0 12 52
453 A 468 GLU E t < T - 0 0 -47.0 130.1 178.9 -171.7 38.0 97.0 450 -2.1 467 -0.6 0 0.0 0 0.0 10 50
454 A 469 ASP D e + 0 0 -111.3 22.3 179.5 56.8 66.2 87.4 0 0.0 465 -1.2 0 0.0 0 0.0 8 40
455 A 470 TYR Y E E DQ - 464 0 -144.7 168.7 177.7 -147.9 62.8 157.5 0 0.0 0 0.0 0 0.0 0 0.0 9 38
456 A 471 GLN Q E E DQ - 463 0 -142.5 125.2 -179.3 -138.6 17.7 168.1 463 -2.1 463 -3.2 0 0.0 458 -0.7 12 44
457 A 472 ILE I E E DQ + 462 0 -92.2 115.6 179.5 172.3 25.4 141.7 0 0.0 404 -2.6 0 0.0 459 -0.5 11 36
458 A 473 VAL V E E DQf> T - 461 404 -123.4 113.7 -177.2 -34.2 69.2 166.6 461 -2.2 461 -1.8 456 -0.7 0 0.0 11 37
459 A 474 GLY G T T 3 TS- 0 0 74.3 -124.7 178.9 -35.3 124.7 130.4 404 -2.7 0 0.0 457 -0.5 0 0.0 8 25
460 A 475 ASN N T T 3 TS+ 0 0 -114.6 14.2 179.9 101.7 118.1 78.0 0 0.0 0 0.0 0 0.0 0 0.0 7 19
461 A 476 GLN Q E E DQ < T - 458 0 -102.5 141.9 177.8 -141.1 64.3 141.4 458 -1.8 458 -2.2 0 0.0 463 -0.8 7 19
462 A 477 ARG R E E DQ - 457 0 -101.6 106.1 -179.4 -163.9 25.8 151.5 0 0.0 0 0.0 0 0.0 0 0.0 8 22
463 A 478 LEU L E E DQ - 456 0 -91.6 149.9 179.7 -106.4 25.8 129.7 456 -3.2 456 -2.1 461 -0.8 465 -0.6 8 24
464 A 479 ASP D E E DQ + 455 0 -77.2 116.6 178.7 135.7 61.4 129.9 0 0.0 0 0.0 0 0.0 0 0.0 7 25
465 A 480 TYR Y e - 0 0 -164.5 136.6 -179.1 -175.8 26.8 155.3 454 -1.2 0 0.0 463 -0.6 0 0.0 9 36
466 A 481 SER S h > T - 0 0 -141.0 124.5 177.8 -158.7 21.2 167.7 0 0.0 470 -2.3 0 0.0 0 0.0 12 46
467 A 482 ASP D H H > TS+ 0 0 -62.0 -42.9 -178.9 54.7 100.4 23.1 453 -0.6 471 -2.9 0 0.0 0 0.0 15 60
468 A 483 ARG R H H > TS+ 0 0 -57.7 -48.3 179.9 42.1 110.6 24.2 0 0.0 472 -2.7 0 0.0 0 0.0 10 55
469 A 484 VAL V H H > TS+ 0 0 -67.4 -41.5 178.9 53.3 113.9 24.1 0 0.0 473 -2.5 0 0.0 0 0.0 7 40
470 A 485 THR T H H X TS+ 0 0 -55.9 -52.9 -179.8 41.1 114.5 16.6 466 -2.3 474 -1.6 0 0.0 0 0.0 11 47
471 A 486 VAL V H H X TS+ 0 0 -62.2 -46.3 -179.9 54.2 112.5 23.4 467 -2.9 475 -2.2 0 0.0 0 0.0 12 53
472 A 487 ALA A H H X >TS+ 0 0 -56.0 -43.2 179.9 48.5 109.5 26.3 468 -2.7 476 -1.7 0 0.0 477 -0.9 12 42
473 A 488 ARG R H H < 5TS+ 0 0 -66.6 -36.0 -179.9 51.8 110.0 31.7 469 -2.5 0 0.0 0 0.0 0 0.0 8 31
474 A 489 LEU L H H < 5TS+ 0 0 -69.2 -38.8 -179.2 32.1 120.7 28.0 470 -1.6 0 0.0 0 0.0 0 0.0 8 39
475 A 490 LEU L H H < 5TS- 0 0 -94.5 -13.1 179.7 -131.9 100.3 53.7 471 -2.2 0 0.0 0 0.0 0 0.0 10 39
476 A 491 GLY G T h < 5TS+ 0 0 69.7 22.5 179.6 86.6 73.6 43.3 472 -1.7 0 0.0 0 0.0 0 0.0 7 25
477 A 492 VAL V S t 5555< >5555< 5-turns
3-turns >33<>33< >>3<<>33< >>><<< >33< >33< >33< >3>X><<< >33<>> 3-turns
bridge-2 bbbb CC bridge-2
bridge-1 A A aaaa B B aaaa CC bbbb bridge-1
sheets AAAA AAAAA AA AAAA sheets
4-turns >>>4>>><<<< >444< >>44XX>>XX<<<< 4-turns
summary hHHHHHhTTtTTt B gGGGgtTTeEEEE B SS BGGGhHHHHHHhTtSEEEEEeTTTttTTeEE eEEEEThHHHHHHHHHHHHhTgG summary
sequence RNLRDLLAPWVPDAPSRALRETLDSRVAAAGDLFVAVVGHQADGRRYIPQAIAQGVAAIIAEAKDEATDGEIREHGVPVIYLSQLNERLSALAGRFYHEP sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand GGSSEEEEEESSS HHHHHHHHHHHHHHTT EEE TT BEETT B SSSS HHHHHHHHHHHHHTT EE HHHHHTTTTTT B SEEEE Kabs/Sand
chirality +++-----++-+++++++++++++++++-+--- +--+--+++----+-+---+++++++++++++-++++ --+++++-+++++-------+--+ chirality
bends SSSS SSS SSSSSSSSSSSSSSSS S SSSS SSSS SSSSSSSSSSSSSS SSSSSS SSSS S bends
turns TTT TTTTTTTTTTTTTTTTTT TTTT TTTT TTTTTTTTTTTTTTTTT TTTTTTTTTTTTT turns
5-turns >5555< >5555< >5555< 5-turns
3-turns 3<< >>3<< >33< >33< >33< >33X3><3< 3-turns
bridge-2 GG ff hhhh bridge-2
bridge-1 ddeeee ff CGG C dd d eeee bridge-1
sheets BBBBBB BBB BB BB BBBB sheets
4-turns >>>>XXXXXXXX<<<< >>>>XXXXXXX<<<< >>>4<<< 4-turns
summary GGgSEEEEEESSShHHHHHHHHHHHHHHhTteEEEtTTtBEEeTt B SSSS hHHHHHHHHHHHHHhTteEEe hHHHHHhTTTTTtB eEEEEe summary
sequence SDNLRLVGVTGTNGKTTTTQLLAQWSQLLGEISAVGTVGNGLLGKVIPTENTTGSAVDVQHELAGLVDQGATFCAEVSSHGLVQHRVAALKFAASVFTNL sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand S HHHH HHHH HHHHTSB EEEEETTSHHHHHHHTT TT EEEE TTT SEEEEEEEEEE SS EEEEEEETT EEEEE HHHHHH Kabs/Sand
chirality -++++++- +++ +++++-+-+-----++-++++++++++++--- ++--+++-++-+-++---++-+----+-+-+--+----- ++++++ chirality
bends S SSS SS SSSSS S SSSSSSSSSSSS SS SSS SS S SS SS SSSSS bends
turns TTTTTT TTTTTTTTTTTTT TTTTTTTTTTTTTTTTT TTTTT TTTT TTTTTTT turns
5-turns >5555< 5-turns
3-turns >33< >33< >33< >33<>33< >33< >33< >33< 3-turns
bridge-2 iii jjjj KKK*KKKK LLLLL bridge-2
bridge-1 d hhhh iii jjjj KKKKKKK LLLLL bridge-1
sheets BBBBB BBBB BBBBBBBBBB BBBBBBB BBBBB sheets
4-turns >>44<< >>44<<>>44<< >>>>X444< >>>>XXX 4-turns
summary S hHHHHh hHHHHhhHHHHhtB EEEEEeThHHHHHHHhTtTTeEEEE tTTTtSEEEEEEEEEEeSSeEEEEEEEeTt EEEEE hHHHHHH summary
sequence SRDHLDYHGDEHYEAAWLLYSEHHCGQAIINADDEVGRRWLAKLPDAVAVSEDHINPNCHGRWLKATEVNYHDSGATIRFSSSWGDGEIESHLGAFNVSN sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand HHHHHHHHHHTT HHHHHHHGGG TT EE TTS EEEEE SHHHHHHHHHHHHHT SS EEEEE SSS STTTT HHHHHH SEEEE Kabs/Sand
chirality ++++++++++-+--++++++++++----+ -++-++-----+-+++-++++++++++++++++-----+----++--++++ ++++++-+---+-+ chirality
bends SSSSSSSSSSSS SSSSSSSSSS S SSS SSSSSSSSSSSSSSS SS SSS SSSS SSSSS SS bends
turns TTTTTTTTTTTTTTTTTTTTTTTTT TTTT TTTT TTTTTTTTTTTTTTTT TTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >33< >>3<< >33< >33< >>><<< >33< 3-turns
bridge-2 nnnnn pppp e bridge-2
bridge-1 MM MM oooo pppp bridge-1
sheets CC CCCCC CCCCC CCCC sheets
4-turns XXXXXXX<<<< >>>>X<<<< >>>>XXXXXXX<<<< >444<>>>><<<< 4-turns
summary HHHHHHHHHHhTthHHHHHHHhGGg tTTteEE tTTt EEEEE hHHHHHHHHHHHHHhtSSeEEEEE SSS tTTTTthHHHHHHhSEEEEe summary
sequence LLLALATLLALGYPLADLLKTAARLQPVCGREVFTAPGKPTVVVDYAHTPDALEKALQAARLHCAGKLWCVFGCGGDRDKGKRPLGAIAEEFADVAVVTD sequence
310 320 330 340 350 360 370 380 390 400
author author
Kabs/Sand S BTS HHHHHHHHHT GGGSB HHHHHHHH TT EEEEES TT EEEETTEEEE HHHHHHHHHTS S Kabs/Sand
chirality -++-+--+++++++++ -+++- -+++++++ --++----++++-+-+--+--+---+--++++++++-+---+ chirality
bends S SSS SSSSSSSSS SSSS SSSSSSS SS S SS SS SSSSSSSSSSS S bends
turns TTTTTTTTTTTTTTTT TTTTT TTTTTTTTTT TTTT TTTT TTTT TTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >33< >33< >>3<< >33< >33< >33< 3-turns
bridge-2 oooo f bridge-2
bridge-1 f e nnnnn QQQQ QQQQ bridge-1
sheets CCCCC DDDD DDDD sheets
4-turns >>>>XXX<<<< >>>>XX<<<< >>>>XXX<<<< 4-turns
summary S tBTthHHHHHHHHHht gGGGgB hHHHHHHHHh tTTeEEEEEetTTteEEEETTEEEEehHHHHHHHHHht S summary
sequence DNPRTEEPRAIINDILAGLDAGHAKVEGRAEAVTCAVQAKENDVVLVAGKGHEDYQIVGNQRLDYSDRVTVARLLGVIARSH sequence
410 420 430 440 450 460 470 480
Messages
chain break between 21(A 23 ) and 22(A 25 )
chain break between 74(A 77 ) and 75(A 79 )
chain break between 135(A 139 ) and 136(A 141 )
chain break between 175(A 180 ) and 176(A 182 )
chain break between 210(A 216 ) and 211(A 218 )
chain break between 216(A 223 ) and 217(A 225 )
chain break between 251(A 259 ) and 252(A 261 )
chain break between 293(A 302 ) and 294(A 304 )
chain break between 331(A 341 ) and 332(A 343 )
chain break between 385(A 396 ) and 386(A 398 )
chain break between 418(A 430 ) and 419(A 432 )
chain break between 426(A 439 ) and 427(A 441 )
chain break between 437(A 451 ) and 438(A 453 )