Secondary structure calculation program - copyright by David Keith Smith, 1989
1htyA.pdb
1HTY HYDROLASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 988
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 31 CYS C 0 0 999.9 138.6 178.3 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 4 24
2 A 32 GLN Q - 0 0 -70.7 147.4 178.4 -117.4 999.9 114.5 0 0.0 4 -0.8 0 0.0 0 0.0 8 27
3 A 33 ASP D - 0 0 -87.2 113.2 -178.0 -172.7 28.3 142.8 0 0.0 0 0.0 0 0.0 0 0.0 6 35
4 A 34 VAL V S S S+ 0 0 -90.2 7.1 -178.3 45.1 76.5 68.8 2 -0.8 0 0.0 0 0.0 0 0.0 10 46
5 A 35 VAL V S S S+ 0 0 -114.9 -46.3 -175.1 37.1 111.0 37.3 0 0.0 854 -0.5 0 0.0 0 0.0 10 41
6 A 36 GLN Q S S S+ 0 0 -94.4 -6.2 179.9 74.4 98.4 59.7 0 0.0 8 -0.6 0 0.0 0 0.0 8 30
7 A 37 ASP D - 0 0 -114.0 105.5 179.3 -149.8 67.7 153.0 0 0.0 0 0.0 0 0.0 0 0.0 9 29
8 A 38 VAL V - 0 0 -72.7 116.7 -180.0 -120.9 27.3 125.9 6 -0.6 0 0.0 0 0.0 0 0.0 11 37
9 A 39 PRO P - 0 0 -58.9 142.5 178.4 -132.9 15.1 104.4 0 0.0 11 -0.8 0 0.0 0 0.0 10 41
10 A 40 ASN N + 0 0 -100.5 105.9 -179.7 163.0 39.7 150.1 0 0.0 0 0.0 0 0.0 0 0.0 5 36
11 A 41 VAL V - 0 0 -124.1 155.2 179.8 -129.6 46.5 152.9 9 -0.8 0 0.0 0 0.0 0 0.0 9 40
12 A 42 ASP D S S S+ 0 0 -68.3 -37.8 179.8 27.8 101.3 29.5 0 0.0 0 0.0 0 0.0 0 0.0 7 37
13 A 43 VAL V B B a 360 0 -130.6 120.6 178.1 999.9 999.9 169.7 359 -1.9 361 -2.1 0 0.0 0 0.0 9 48
14!A 44 GLN Q 0 0 -119.8 999.9 999.9 999.9 999.9 168.4 0 0.0 17 -2.6 0 0.0 0 0.0 9 47
15!A 46 LEU L h > T 0 0 999.9 -40.5 179.9 999.9 999.9 999.9 0 0.0 19 -1.6 0 0.0 0 0.0 10 53
16 A 47 GLU E H H > T + 0 0 -67.3 -41.2 179.7 50.7 999.9 24.9 0 0.0 20 -1.5 0 0.0 0 0.0 7 38
17 A 48 LEU L H H 4 TS+ 0 0 -62.8 -42.8 179.4 52.4 108.4 23.2 14 -2.6 0 0.0 0 0.0 0 0.0 7 46
18 A 49 TYR Y H H 4 TS+ 0 0 -60.8 -35.8 -179.5 55.3 105.5 30.3 0 0.0 0 0.0 0 0.0 0 0.0 5 45
19 A 50 ASP D H H < T 0 0 -65.7 -36.2 -178.8 999.9 999.9 29.6 15 -1.6 0 0.0 0 0.0 0 0.0 6 30
20!A 51 ARG R h < T 0 0 -86.3 999.9 999.9 999.9 999.9 37.7 16 -1.5 0 0.0 0 0.0 0 0.0 5 21
21!A 53 SER S 0 0 999.9 -16.2 179.6 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 4 28
22 A 54 PHE F + 0 0 53.2 32.5 179.5 176.1 999.9 39.1 0 0.0 0 0.0 0 0.0 0 0.0 5 41
23 A 55 LYS K - 0 0 -70.9 132.7 -179.1 -146.4 24.7 120.5 0 0.0 25 -1.0 0 0.0 0 0.0 5 32
24 A 56 ASP D + 0 0 -101.2 77.3 -179.4 159.3 35.7 131.5 0 0.0 0 0.0 0 0.0 0 0.0 7 30
25 A 57 ILE I - 0 0 -102.1 153.4 179.4 -101.5 49.9 134.2 23 -1.0 27 -0.7 0 0.0 0 0.0 6 25
26 A 58 ASP D - 0 0 -72.4 109.6 -179.3 -173.9 33.9 127.0 0 0.0 0 0.0 0 0.0 0 0.0 7 22
27 A 59 GLY G - 0 0 -88.4 6.1 -179.7 -109.7 42.2 68.3 31 -2.5 0 0.0 25 -0.7 0 0.0 10 30
28 A 60 GLY G S S S- 0 0 106.1 -145.9 179.4 -7.3 82.4 145.5 0 0.0 0 0.0 0 0.0 0 0.0 9 25
29 A 61 VAL V S S S+ 0 0 -57.2 -34.8 175.5 57.4 137.1 30.8 0 0.0 31 -1.4 0 0.0 0 0.0 9 36
30 A 62 TRP W S t > TS- 0 0 -94.4 87.7 -176.8 -165.1 88.0 142.1 0 0.0 33 -2.2 0 0.0 0 0.0 11 45
31 A 63 LYS K T T 3 TS+ 0 0 -47.0 -36.9 -178.3 35.2 80.6 40.4 29 -1.4 27 -2.5 0 0.0 0 0.0 9 37
32 A 64 GLN Q T T 3 TS+ 0 0 -108.5 17.1 179.1 38.9 123.4 78.3 0 0.0 0 0.0 0 0.0 0 0.0 12 44
33 A 65 GLY G S t < TS- 0 0 -127.1 -124.1 179.5 -94.3 88.3 87.6 30 -2.2 0 0.0 0 0.0 0 0.0 9 46
34 A 66 TRP W - 0 0 -156.7 172.2 179.2 -71.1 47.9 158.7 0 0.0 36 -1.0 0 0.0 0 0.0 8 38
35 A 67 ASN N - 0 0 -77.1 104.2 -178.9 -140.0 54.9 129.9 0 0.0 0 0.0 0 0.0 0 0.0 8 34
36 A 68 ILE I - 0 0 -69.0 132.4 178.8 -168.6 19.9 115.9 34 -1.0 0 0.0 0 0.0 0 0.0 8 39
37 A 69 LYS K - 0 0 -121.5 146.2 179.8 -176.6 4.9 157.9 0 0.0 0 0.0 0 0.0 0 0.0 6 31
38 A 70 TYR Y - 0 0 -142.2 156.3 179.3 -113.7 31.1 166.7 0 0.0 0 0.0 0 0.0 0 0.0 8 31
39 A 71 ASP D g > T - 0 0 -92.0 110.5 -179.7 -151.9 19.7 144.3 0 0.0 42 -3.0 0 0.0 0 0.0 5 26
40 A 72 PRO P G G > TS+ 0 0 -51.7 -26.2 -179.5 62.5 95.6 40.1 0 0.0 43 -0.7 0 0.0 0 0.0 5 30
41 A 73 LEU L G G 3 TS+ 0 0 -80.7 -0.4 179.9 90.2 77.2 62.7 0 0.0 0 0.0 0 0.0 0 0.0 5 24
42 A 74 LYS K G G < TS+ 0 0 -62.6 -39.2 179.4 45.7 89.4 27.4 39 -3.0 0 0.0 0 0.0 0 0.0 7 33
43 A 75 TYR Y S g < TS+ 0 0 -109.1 141.7 -179.8 149.1 71.5 149.8 40 -0.7 0 0.0 0 0.0 0 0.0 10 39
44 A 76 ASN N B B B > T - 47 0 -152.4 -176.2 -179.4 -67.9 63.3 150.4 47 -1.9 47 -1.9 0 0.0 0 0.0 10 26
45 A 77 ALA A T T 3 TS+ 0 0 -51.8 -32.1 -179.1 44.6 134.3 36.8 0 0.0 0 0.0 0 0.0 0 0.0 7 21
46 A 78 HIS H T T 3 TS+ 0 0 -91.6 -7.0 -179.7 33.2 124.5 58.4 0 0.0 0 0.0 0 0.0 0 0.0 5 20
47 A 79 HIS H B B B < TS+ 44 0 -151.7 88.0 -178.8 177.2 77.1 131.5 44 -1.9 44 -1.9 0 0.0 0 0.0 9 34
48 A 80 LYS K - 0 0 -93.8 158.6 177.9 -113.6 33.6 122.8 0 0.0 50 -0.6 0 0.0 0 0.0 11 40
49 A 81 LEU L E E Aa - 332 0 -91.8 119.2 179.8 -150.3 28.1 145.5 331 -2.5 333 -2.3 0 0.0 51 -0.6 11 53
50 A 82 LYS K E E Aab - 333 293 -93.8 120.0 -178.4 -164.3 14.3 146.6 292 -3.4 294 -3.5 48 -0.6 0 0.0 10 58
51 A 83 VAL V E E Aab - 334 294 -113.1 125.7 178.4 -165.6 10.0 157.0 333 -2.4 335 -2.1 49 -0.6 53 -0.6 12 60
52 A 84 PHE F E E Aab - 335 295 -110.8 112.5 178.1 -160.9 5.3 158.3 294 -2.9 296 -3.0 0 0.0 54 -0.7 14 56
53 A 85 VAL V E E Aab - 336 296 -92.5 115.9 -176.6 -161.9 12.5 148.1 335 -2.7 337 -2.3 51 -0.6 0 0.0 13 66
54 A 86 VAL V E E A b - 0 297 -108.8 101.8 179.9 -147.2 6.4 147.7 296 -2.1 298 -2.7 52 -0.7 0 0.0 15 64
55 A 87 PRO P E E A b + 0 298 -65.7 135.7 179.5 163.2 30.3 113.9 0 0.0 94 -1.9 0 0.0 0 0.0 13 71
56 A 88 HIS H E E Acb - 94 299 -150.5 165.6 -179.3 -149.8 31.1 164.3 298 -1.9 300 -0.6 0 0.0 0 0.0 13 64
57 A 89 SER S E E A b - 0 300 -142.9 114.5 -179.8 -140.6 17.4 160.0 94 -0.5 59 -0.8 0 0.0 0 0.0 12 61
58 A 90 HIS H E E A b - 0 301 -80.9 111.9 -178.9 -174.3 22.8 132.9 300 -2.1 302 -2.8 0 0.0 60 -0.7 9 61
59 A 91 ASN N - 0 0 -113.2 103.5 179.5 -152.9 11.9 151.5 57 -0.8 0 0.0 0 0.0 0 0.0 8 65
60 A 92 ASP D - 0 0 -75.5 122.4 179.5 -136.7 15.6 126.6 58 -0.7 62 -3.1 0 0.0 0 0.0 9 65
61 A 93 PRO P S S S- 0 0 -75.8 61.6 -178.5 -21.7 86.2 110.3 0 0.0 0 0.0 0 0.0 0 0.0 13 66
62 A 94 GLY G S S S+ 0 0 106.0 136.2 177.2 129.8 80.0 81.6 60 -3.1 0 0.0 0 0.0 0 0.0 12 58
63 A 95 TRP W S S S+ 0 0 -173.0 -83.7 177.9 4.2 90.9 106.3 65 -2.4 436 -2.8 0 0.0 0 0.0 14 58
64 A 96 ILE I S S S+ 0 0 -96.2 -6.2 176.9 31.5 141.4 59.6 0 0.0 0 0.0 0 0.0 0 0.0 8 45
65 A 97 GLN Q S S S- 0 0 -139.1 159.8 178.9 -99.4 97.4 156.9 0 0.0 63 -2.4 0 0.0 0 0.0 10 38
66 A 98 THR T h > T - 0 0 -76.7 169.4 178.6 -101.4 39.0 107.3 0 0.0 70 -2.7 0 0.0 0 0.0 12 44
67 A 99 PHE F H H > TS+ 0 0 -54.1 -51.5 -178.5 44.3 124.9 19.4 0 0.0 71 -2.3 0 0.0 0 0.0 10 52
68 A 100 GLU E H H > TS+ 0 0 -65.0 -37.6 179.4 53.2 111.3 29.9 0 0.0 72 -2.5 0 0.0 0 0.0 6 38
69 A 101 GLU E H H > TS+ 0 0 -63.6 -47.5 178.8 44.4 112.2 19.5 0 0.0 73 -2.7 0 0.0 0 0.0 8 32
70 A 102 TYR Y H H X >TS+ 0 0 -62.9 -39.3 -179.3 54.6 111.9 27.6 66 -2.7 74 -3.0 0 0.0 75 -1.8 12 41
71 A 103 TYR Y H H < >TS+ 0 0 -60.2 -47.9 -179.1 39.7 113.9 19.2 67 -2.3 76 -2.4 0 0.0 0 0.0 10 44
72 A 104 GLN Q H H < 5TS+ 0 0 -68.7 -41.6 -177.5 37.2 124.6 26.6 68 -2.5 0 0.0 0 0.0 0 0.0 9 32
73 A 105 HIS H H H < 5TS- 0 0 -83.2 -32.0 -176.9 -6.5 137.8 36.3 69 -2.7 0 0.0 0 0.0 0 0.0 8 31
74 A 106 ASP D T h X >5TS+ 0 0 -128.8 -63.1 -175.8 55.9 117.9 46.4 70 -3.0 78 -2.1 0 0.0 77 -0.8 10 39
75 A 107 THR T H H > 3 3 < TS+ 0 0 -76.3 -38.8 178.7 52.5 110.4 28.5 74 -0.8 81 -2.6 0 0.0 0 0.0 11 39
78 A 110 ILE I H H X TS+ 0 0 -61.0 -47.7 -179.5 41.2 115.2 19.6 74 -2.1 82 -1.7 0 0.0 0 0.0 13 53
79 A 111 LEU L H H X TS+ 0 0 -70.0 -36.4 179.7 51.9 114.2 29.7 75 -2.6 83 -2.0 0 0.0 0 0.0 11 60
80 A 112 SER S H H X TS+ 0 0 -67.0 -42.6 180.0 41.8 114.9 23.5 76 -1.8 84 -1.8 0 0.0 0 0.0 8 49
81 A 113 ASN N H H X TS+ 0 0 -76.2 -24.9 177.9 57.9 110.1 37.7 77 -2.6 85 -2.9 0 0.0 0 0.0 12 48
82 A 114 ALA A H H X TS+ 0 0 -67.5 -41.4 -179.7 49.8 106.8 23.0 78 -1.7 86 -2.5 0 0.0 0 0.0 10 59
83 A 115 LEU L H H X TS+ 0 0 -61.4 -46.8 -179.8 42.9 115.2 21.0 79 -2.0 87 -1.8 0 0.0 0 0.0 10 53
84 A 116 ARG R H H X TS+ 0 0 -65.6 -51.9 -178.8 43.9 117.5 17.6 80 -1.8 88 -2.3 0 0.0 0 0.0 8 41
85 A 117 HIS H H H X TS+ 0 0 -65.0 -39.0 178.7 46.7 115.3 29.8 81 -2.9 89 -1.1 0 0.0 0 0.0 10 40
86 A 118 LEU L H H < TS+ 0 0 -69.4 -40.9 179.2 52.5 111.9 23.6 82 -2.5 0 0.0 0 0.0 0 0.0 14 49
87 A 119 HIS H H H < TS+ 0 0 -58.5 -45.0 -178.6 41.6 115.0 21.2 83 -1.8 0 0.0 0 0.0 0 0.0 9 34
88 A 120 ASP D H H < TS+ 0 0 -80.0 -13.4 -179.7 48.7 116.6 52.6 84 -2.3 0 0.0 0 0.0 0 0.0 6 26
89 A 121 ASN N h < T - 0 0 -131.4 87.4 -179.4 -170.2 66.4 140.7 85 -1.1 0 0.0 0 0.0 0 0.0 6 34
90 A 122 PRO P 0 0 -47.8 -30.3 -179.7 999.9 999.9 46.3 0 0.0 0 0.0 0 0.0 0 0.0 6 31
91!A 123 GLU E 0 0 -88.8 999.9 999.9 999.9 999.9 53.7 0 0.0 0 0.0 0 0.0 0 0.0 6 42
92!A 125 LYS K 0 0 999.9 163.8 -178.5 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 13 58
93 A 126 PHE F E E Bc - 124 0 -164.0 137.9 177.4 -147.7 999.9 161.2 123 -2.1 125 -2.5 0 0.0 0 0.0 13 67
94 A 127 ILE I E E Bcc - 125 56 -112.7 149.4 -179.1 -163.5 11.0 150.6 55 -1.9 57 -0.5 0 0.0 0 0.0 14 71
95 A 128 TRP W E E Bc + 126 0 -134.9 134.1 -178.0 170.1 15.5 175.5 125 -2.2 127 -2.5 0 0.0 0 0.0 12 72
96 A 129 ALA A + 0 0 -108.9 -43.6 -176.5 76.5 56.6 34.5 0 0.0 98 -1.1 0 0.0 0 0.0 11 70
97 A 130 GLU E h > > T + 0 0 -82.4 97.6 -178.7 179.2 46.6 128.1 0 0.0 101 -1.6 0 0.0 100 -0.6 13 71
98 A 131 ILE I H H > 3 TS+ 0 0 -69.2 -24.4 177.5 70.9 75.6 41.2 130 -2.3 102 -3.1 96 -1.1 0 0.0 13 65
99 A 132 SER S H H > 3 TS+ 0 0 -55.7 -45.0 179.0 38.9 107.5 19.4 131 -2.2 103 -1.6 0 0.0 0 0.0 12 62
100 A 133 TYR Y H H > < TS+ 0 0 -70.8 -42.9 -178.4 52.7 114.7 26.2 97 -0.6 104 -2.0 0 0.0 0 0.0 10 59
101 A 134 PHE F H H X TS+ 0 0 -62.5 -40.9 179.6 47.2 110.4 25.6 97 -1.6 105 -3.2 0 0.0 0 0.0 9 64
102 A 135 ALA A H H X TS+ 0 0 -66.2 -41.6 179.3 53.7 109.8 24.0 98 -3.1 106 -2.1 0 0.0 0 0.0 9 53
103 A 136 ARG R H H < TS+ 0 0 -58.4 -38.8 -179.6 40.2 116.4 28.3 99 -1.6 0 0.0 0 0.0 0 0.0 8 47
104 A 137 PHE F H H X > TS+ 0 0 -74.9 -53.8 -178.2 52.9 112.0 18.5 100 -2.0 107 -1.5 0 0.0 108 -0.6 10 46
105 A 138 TYR Y H H < > TS+ 0 0 -52.4 -45.8 -179.0 54.9 104.5 29.7 101 -3.2 108 -1.4 0 0.0 0 0.0 8 45
106 A 139 HIS H T h < 3 TS+ 0 0 -66.4 -16.3 178.9 52.8 106.6 47.1 102 -2.1 0 0.0 0 0.0 0 0.0 6 27
107 A 140 ASP D T T 4 < TS+ 0 0 -93.9 -8.1 179.9 101.5 91.1 57.8 104 -1.5 0 0.0 0 0.0 0 0.0 6 26
108 A 141 LEU L S t < < TS- 0 0 -78.0 148.0 177.8 -115.1 76.5 117.2 105 -1.4 0 0.0 104 -0.6 0 0.0 8 28
109 A 142 GLY G h > T - 0 0 -75.5 161.4 -179.0 -103.2 34.3 112.5 0 0.0 113 -2.4 0 0.0 0 0.0 6 20
110 A 143 GLU E H H > TS+ 0 0 -53.9 -40.6 -180.0 56.3 120.8 30.7 0 0.0 114 -2.1 0 0.0 0 0.0 6 16
111 A 144 ASN N H H > TS+ 0 0 -58.5 -47.0 -179.8 41.8 112.0 21.3 0 0.0 115 -1.7 0 0.0 0 0.0 6 18
112 A 145 LYS K H H 4 TS+ 0 0 -70.5 -34.7 178.9 58.8 108.8 33.3 0 0.0 0 0.0 0 0.0 0 0.0 7 30
113 A 146 LYS K H H < TS+ 0 0 -59.9 -42.1 179.6 47.9 108.0 23.0 109 -2.4 0 0.0 0 0.0 0 0.0 9 33
114 A 147 LEU L H H < T 0 0 -65.5 -41.5 178.5 999.9 999.9 26.7 110 -2.1 117 -1.9 0 0.0 0 0.0 7 26
115!A 148 GLN Q h < T 0 0 -63.9 999.9 999.9 999.9 999.9 25.7 111 -1.7 118 -1.9 0 0.0 0 0.0 9 33
116!A 150 LYS K h > T 0 0 999.9 -33.3 -179.4 999.9 999.9 999.9 0 0.0 120 -2.7 0 0.0 0 0.0 7 40
117 A 151 SER S H H > T + 0 0 -68.6 -43.9 -180.0 47.7 999.9 24.1 114 -1.9 121 -2.3 0 0.0 0 0.0 7 33
118 A 152 ILE I H H 4 >TS+ 0 0 -72.0 -16.6 177.4 47.9 115.4 44.9 115 -1.9 124 -2.2 0 0.0 123 -1.5 12 38
119 A 153 VAL V H H 4 >5TS+ 0 0 -84.5 -45.1 180.0 48.2 111.9 27.1 0 0.0 122 -1.2 0 0.0 0 0.0 9 48
120 A 154 LYS K H H < 35TS+ 0 0 -62.4 -35.4 -179.4 50.5 111.9 30.9 116 -2.7 0 0.0 0 0.0 0 0.0 7 31
121 A 155 ASN N T h < 35TS- 0 0 -83.2 -2.8 177.9 -113.0 117.1 61.7 117 -2.3 0 0.0 0 0.0 0 0.0 7 28
122 A 156 GLY G T T <5TS+ 0 0 87.7 7.1 179.4 113.0 85.4 56.9 119 -1.2 0 0.0 0 0.0 0 0.0 8 39
123 A 157 GLN Q S e > T - 0 0 -85.2 141.9 -178.5 -123.4 20.8 133.4 0 0.0 143 -1.9 0 0.0 142 -1.1 11 69
140 A 175 TRP W H H > 3 TS+ 0 0 -55.0 -33.1 179.8 61.5 111.2 32.2 759 -3.1 144 -2.4 0 0.0 0 0.0 10 68
141 A 176 ARG R H H > 3 TS+ 0 0 -61.5 -37.2 179.8 42.1 108.3 28.0 0 0.0 145 -1.8 0 0.0 0 0.0 7 72
142 A 177 ASN N H H > < TS+ 0 0 -81.2 -26.3 176.8 57.5 108.9 39.4 139 -1.1 146 -2.5 0 0.0 0 0.0 11 68
143 A 178 VAL V H H X TS+ 0 0 -66.6 -41.6 179.1 43.8 111.9 21.8 139 -1.9 147 -1.9 0 0.0 0 0.0 12 69
144 A 179 LEU L H H X TS+ 0 0 -67.7 -40.1 -179.5 56.0 110.7 24.6 140 -2.4 148 -2.8 0 0.0 0 0.0 11 68
145 A 180 LEU L H H X TS+ 0 0 -57.5 -50.2 -178.1 42.1 110.9 19.9 141 -1.8 149 -2.4 0 0.0 0 0.0 10 69
146 A 181 GLN Q H H X TS+ 0 0 -69.3 -33.7 178.4 52.6 113.4 30.1 142 -2.5 150 -2.2 0 0.0 131 -1.8 17 62
147 A 182 LEU L H H X TS+ 0 0 -65.1 -43.0 -179.7 46.5 112.2 21.8 143 -1.9 151 -2.7 0 0.0 0 0.0 14 71
148 A 183 THR T H H X TS+ 0 0 -65.9 -39.6 -179.7 54.3 109.5 26.7 144 -2.8 152 -2.6 0 0.0 0 0.0 12 69
149 A 184 GLU E H H X TS+ 0 0 -60.4 -47.3 179.8 40.5 114.4 19.8 145 -2.4 153 -1.4 0 0.0 0 0.0 13 61
150 A 185 GLY G H H X TS+ 0 0 -69.0 -44.0 -178.4 45.2 118.1 23.4 146 -2.2 154 -2.2 0 0.0 0 0.0 14 62
151 A 186 GLN Q H H X TS+ 0 0 -72.3 -31.6 179.0 55.4 108.8 33.4 147 -2.7 155 -2.5 0 0.0 0 0.0 14 58
152 A 187 THR T H H X TS+ 0 0 -65.7 -40.0 178.7 47.6 110.1 22.6 148 -2.6 156 -2.2 0 0.0 0 0.0 10 49
153 A 188 TRP W H H X TS+ 0 0 -63.6 -47.6 -179.9 50.6 111.6 19.4 149 -1.4 157 -2.9 0 0.0 0 0.0 9 46
154 A 189 LEU L H H < TS+ 0 0 -59.0 -40.8 -179.5 49.0 110.1 26.8 150 -2.2 159 -0.9 0 0.0 0 0.0 12 47
155 A 190 LYS K H H < TS+ 0 0 -65.7 -43.6 -179.1 44.7 115.1 20.6 151 -2.5 0 0.0 0 0.0 0 0.0 10 38
156 A 191 GLN Q H H < T 0 0 -66.8 -45.7 -177.5 999.9 999.9 23.7 152 -2.2 0 0.0 0 0.0 0 0.0 6 32
157!A 192 PHE F h < T 0 0 -99.7 999.9 999.9 999.9 999.9 39.7 153 -2.9 0 0.0 0 0.0 0 0.0 5 38
158!A 194 ASN N 0 0 999.9 44.1 178.9 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 6 31
159 A 195 VAL V - 0 0 -146.7 149.7 178.3 -161.2 999.9 173.8 154 -0.9 0 0.0 0 0.0 0 0.0 5 46
160 A 196 THR T - 0 0 -133.7 107.9 -179.9 -129.6 26.8 159.7 0 0.0 0 0.0 0 0.0 0 0.0 8 53
161 A 197 PRO P - 0 0 -57.6 140.9 177.7 -177.6 22.2 104.3 0 0.0 0 0.0 0 0.0 0 0.0 11 62
162 A 198 THR T e + 0 0 -119.7 4.0 177.9 70.8 67.6 74.0 0 0.0 185 -2.9 0 0.0 186 -1.8 11 55
163 A 199 ALA A E E Cd S- 186 0 -123.9 131.8 -179.5 -148.9 71.3 171.3 0 0.0 128 -2.8 0 0.0 0 0.0 13 57
164 A 200 SER S E E Cd - 187 0 -104.9 146.1 -178.3 -163.3 6.3 141.6 186 -2.2 188 -1.3 0 0.0 0 0.0 12 69
165 A 201 TRP W E E Cd + 188 0 -130.4 108.0 -179.9 163.3 17.1 163.0 0 0.0 0 0.0 0 0.0 0 0.0 10 71
166 A 202 ALA A E E Cd + 189 0 -128.8 84.9 -177.3 151.7 10.3 139.2 188 -2.1 190 -0.8 0 0.0 0 0.0 9 66
167 A 203 ILE I + 0 0 -92.7 -7.6 -177.2 37.5 69.6 56.7 0 0.0 0 0.0 0 0.0 0 0.0 9 63
168 A 204 ASP D + 0 0 -123.5 -15.5 179.6 115.9 69.7 50.6 0 0.0 0 0.0 0 0.0 0 0.0 7 65
169 A 205 PRO P S S S- 0 0 -55.5 146.0 -176.8 -114.8 73.3 107.5 0 0.0 171 -1.9 0 0.0 0 0.0 11 68
170 A 206 PHE F S S S- 0 0 -86.6 75.1 -177.0 -15.2 86.8 119.7 0 0.0 0 0.0 0 0.0 0 0.0 12 63
171 A 207 GLY G S S S- 0 0 109.7 157.6 -177.6 -104.8 83.9 104.4 169 -1.9 0 0.0 0 0.0 0 0.0 13 63
172 A 208 HIS H B B D - 364 0 -128.6 147.0 -178.2 -150.7 19.2 159.3 364 -0.9 364 -2.8 0 0.0 0 0.0 13 65
173 A 209 SER S - 0 0 -116.0 142.1 179.4 -134.6 21.8 151.3 0 0.0 0 0.0 0 0.0 0 0.0 10 70
174 A 210 PRO P 0 0 -67.8 -7.6 178.0 999.9 999.9 54.4 0 0.0 177 -1.7 0 0.0 0 0.0 12 74
175!A 211 THR T 0 0 -65.0 999.9 999.9 999.9 999.9 33.8 0 0.0 178 -2.3 0 0.0 0 0.0 10 67
176!A 213 PRO P h > T 0 0 999.9 -29.2 179.3 999.9 999.9 999.9 0 0.0 180 -2.8 0 0.0 0 0.0 12 66
177 A 214 TYR Y H H > T + 0 0 -57.6 -54.6 -179.7 33.2 999.9 14.6 174 -1.7 181 -1.0 0 0.0 0 0.0 10 63
178 A 215 ILE I H H 4 TS+ 0 0 -68.3 -44.9 -178.9 51.8 119.7 24.0 175 -2.3 0 0.0 0 0.0 0 0.0 9 66
179 A 216 LEU L H H 4 >>TS+ 0 0 -60.3 -46.2 -179.0 51.6 107.0 23.5 0 0.0 184 -2.3 0 0.0 182 -1.9 8 63
180 A 217 GLN Q H H < >5TS+ 0 0 -62.4 -29.9 178.7 49.3 111.2 35.0 176 -2.8 183 -0.7 0 0.0 0 0.0 12 51
181 A 218 LYS K T h < 35TS+ 0 0 -89.5 6.0 179.6 57.7 107.7 70.2 177 -1.0 960 -2.1 0 0.0 0 0.0 10 58
182 A 219 SER S T T <5TS- 0 0 -123.9 26.2 177.8 -89.4 126.9 89.9 179 -1.9 0 0.0 0 0.0 0 0.0 9 59
183 A 220 GLY G T T <5TS+ 0 0 85.9 -3.9 -178.8 145.7 77.2 68.8 180 -0.7 0 0.0 0 0.0 0 0.0 8 47
184 A 221 PHE F t > T - 0 0 -47.5 132.7 -179.3 -127.1 40.7 98.4 0 0.0 197 -2.1 0 0.0 196 -0.9 13 57
194 A 231 TYR Y H H > 3 TS+ 0 0 -55.2 -31.2 179.6 55.9 110.8 34.7 368 -1.5 198 -1.9 0 0.0 0 0.0 12 52
195 A 232 SER S H H > 3 TS+ 0 0 -69.6 -34.0 179.4 50.7 106.2 31.2 0 0.0 199 -2.3 0 0.0 0 0.0 10 50
196 A 233 VAL V H H > < TS+ 0 0 -69.2 -43.1 178.8 52.2 107.8 25.2 193 -0.9 200 -2.8 0 0.0 0 0.0 8 58
197 A 234 LYS K H H X TS+ 0 0 -58.3 -45.2 -179.6 46.8 112.1 21.2 193 -2.1 201 -2.3 0 0.0 0 0.0 12 61
198 A 235 LYS K H H X TS+ 0 0 -63.1 -46.3 -179.4 48.0 113.4 22.0 194 -1.9 202 -2.2 0 0.0 0 0.0 11 52
199 A 236 GLU E H H X TS+ 0 0 -61.7 -49.8 -179.6 40.8 116.9 20.7 195 -2.3 203 -0.9 0 0.0 0 0.0 8 45
200 A 237 LEU L H H < >TS+ 0 0 -69.5 -33.5 179.7 56.4 112.2 31.3 196 -2.8 205 -3.4 0 0.0 0 0.0 10 52
201 A 238 ALA A H H < >5TS+ 0 0 -63.7 -42.3 -179.2 55.4 102.5 23.2 197 -2.3 204 -1.4 0 0.0 0 0.0 12 46
202 A 239 GLN Q H H < 35TS+ 0 0 -61.6 -27.3 -179.6 38.1 115.6 38.4 198 -2.2 0 0.0 0 0.0 0 0.0 8 37
203 A 240 GLN Q T h < 35TS- 0 0 -104.9 6.9 -178.0 -118.8 111.7 71.7 199 -0.9 0 0.0 0 0.0 0 0.0 7 34
204 A 241 ARG R T T <5TS+ 0 0 52.8 49.2 179.5 134.1 73.2 20.4 201 -1.4 0 0.0 0 0.0 0 0.0 10 42
205 A 242 GLN Q t T - 0 0 -70.7 150.9 -177.5 -112.8 38.8 111.3 0 0.0 215 -1.5 0 0.0 0 0.0 12 63
213 A 250 ILE I T T 3 TS+ 0 0 -57.9 -23.5 -179.3 42.7 116.5 43.7 0 0.0 0 0.0 0 0.0 0 0.0 10 62
214 A 251 TRP W T T 3 TS+ 0 0 -101.2 -4.4 -177.4 111.4 85.3 62.6 0 0.0 216 -1.0 0 0.0 0 0.0 12 57
215 A 252 ASP D t < T + 0 0 -78.9 99.7 -179.0 169.8 33.4 126.7 212 -1.5 0 0.0 0 0.0 0 0.0 12 52
216 A 253 ASN N S S S+ 0 0 -78.1 -32.8 -179.3 44.5 78.9 33.1 214 -1.0 0 0.0 0 0.0 0 0.0 10 38
217 A 254 LYS K S S S- 0 0 -79.4 -39.6 179.5 -129.4 101.8 28.9 0 0.0 0 0.0 0 0.0 0 0.0 6 30
218 A 255 GLY G t > T + 0 0 101.5 12.0 -179.5 135.9 61.9 55.4 0 0.0 221 -1.6 0 0.0 0 0.0 8 41
219 A 256 ASP D T T 3 TS+ 0 0 -65.9 -17.5 179.5 57.8 72.0 46.9 0 0.0 0 0.0 0 0.0 0 0.0 6 40
220 A 257 THR T T T 3 TS+ 0 0 -88.2 -7.0 -178.0 129.7 80.0 56.7 0 0.0 0 0.0 0 0.0 0 0.0 11 50
221 A 258 ALA A t < T - 0 0 -53.8 137.4 178.4 -175.7 34.2 97.7 218 -1.6 0 0.0 0 0.0 0 0.0 11 49
222 A 259 LEU L E E C F - 0 210 -137.1 126.5 -180.0 -111.8 32.4 173.5 210 -1.2 210 -2.2 0 0.0 0 0.0 13 50
223 A 260 PHE F E E CeF - 186 209 -60.0 127.0 -178.1 -167.6 41.3 112.5 185 -0.8 187 -1.8 0 0.0 0 0.0 11 61
224 A 261 THR T E E CeF 187 208 -126.6 136.9 177.7 999.9 999.9 164.4 208 -3.2 208 -2.3 0 0.0 0 0.0 11 66
225!A 262 HIS H E E Ce 188 0 -113.7 999.9 999.9 999.9 999.9 163.6 187 -2.7 189 -2.5 0 0.0 0 0.0 9 69
226!A 265 PRO P 0 0 999.9 -16.8 -175.1 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 8 69
227 A 266 PHE F - 0 0 -106.0 180.0 -176.9 -96.0 999.9 111.0 0 0.0 0 0.0 0 0.0 0 0.0 10 66
228 A 267 TYR Y S S S+ 0 0 -60.1 -33.0 -178.3 10.3 97.5 41.7 0 0.0 0 0.0 0 0.0 0 0.0 8 56
229 A 268 SER S - 0 0 -145.5 170.0 178.0 -124.8 60.3 156.0 0 0.0 0 0.0 0 0.0 0 0.0 9 53
230 A 269 TYR Y S S S+ 0 0 -95.2 -0.4 179.6 109.0 78.1 65.9 0 0.0 0 0.0 0 0.0 0 0.0 12 51
231 A 270 ASP D S g > TS- 0 0 -71.5 168.5 -176.9 -99.5 87.9 102.0 0 0.0 234 -1.0 0 0.0 0 0.0 10 53
232 A 271 ILE I G G > > TS+ 0 0 -59.3 -42.1 179.6 59.7 119.5 26.4 0 0.0 235 -1.8 0 0.0 236 -0.9 14 57
233 A 272 PRO P G G 4 3 TS+ 0 0 -58.3 -24.7 -179.1 38.9 114.3 36.7 0 0.0 0 0.0 0 0.0 0 0.0 16 51
234 A 273 HIS H G G 4 < TS+ 0 0 -112.9 23.0 179.4 56.6 111.5 82.4 231 -1.0 0 0.0 0 0.0 0 0.0 14 52
235 A 274 THR T T g 4 < TS+ 0 0 -128.6 -6.9 179.8 59.9 92.9 60.7 232 -1.8 0 0.0 0 0.0 0 0.0 14 58
236 A 275 CYS C S t < TS- 0 0 -93.1 -25.5 -178.8 -47.6 118.6 41.9 232 -0.9 0 0.0 0 0.0 0 0.0 13 63
237 A 276 GLY G S S S- 0 0 177.0 -173.4 -179.4 -63.1 71.6 164.9 0 0.0 0 0.0 0 0.0 0 0.0 13 57
238 A 277 PRO P S S S+ 0 0 -70.9 -16.7 -178.4 72.6 108.0 52.6 0 0.0 0 0.0 0 0.0 0 0.0 13 56
239 A 278 ASP D h > > T - 0 0 -108.9 102.2 -179.9 -173.9 55.1 147.5 0 0.0 243 -2.6 0 0.0 242 -1.1 11 51
240 A 279 PRO P H H > 3 TS+ 0 0 -62.2 -26.3 179.5 65.2 84.7 38.7 0 0.0 244 -2.4 0 0.0 0 0.0 12 51
241 A 280 LYS K H H 4 3 TS+ 0 0 -64.7 -31.6 179.3 35.5 112.2 32.4 0 0.0 0 0.0 0 0.0 0 0.0 12 41
242 A 281 VAL V H H 4 X TS+ 0 0 -85.7 -48.7 -179.4 51.9 116.3 25.4 239 -1.1 245 -1.3 0 0.0 0 0.0 12 45
243 A 282 CYS C H H < > TS+ 0 0 -57.9 -35.7 -179.8 63.8 100.2 32.3 239 -2.6 246 -2.3 0 0.0 0 0.0 16 58
244 A 283 CYS C G h < > TS+ 0 0 -59.8 -28.1 -180.0 64.6 92.7 35.5 240 -2.4 247 -1.5 0 0.0 0 0.0 15 50
245 A 284 GLN Q G G < TS+ 0 0 -71.7 -6.9 -179.8 55.9 98.2 55.8 242 -1.3 264 -0.6 0 0.0 0 0.0 14 51
246 A 285 PHE F G G < TS+ 0 0 -112.8 19.2 175.2 91.4 80.1 82.6 243 -2.3 248 -0.8 0 0.0 0 0.0 10 66
247 A 286 ASP D g X T - 0 0 -109.6 91.2 -176.2 -168.2 62.2 152.5 244 -1.5 250 -1.9 0 0.0 0 0.0 11 67
248 A 287 PHE F T T 3 TS+ 0 0 -67.6 1.5 178.1 73.7 75.0 63.0 246 -0.8 0 0.0 0 0.0 0 0.0 12 52
249 A 288 LYS K T T 3 T 0 0 -89.8 -3.2 -178.8 999.9 999.9 59.0 0 0.0 0 0.0 0 0.0 0 0.0 9 47
250!A 289 ARG R t < T 0 0 -101.1 999.9 999.9 999.9 999.9 96.8 247 -1.9 0 0.0 0 0.0 0 0.0 14 44
251!A 291 GLY G t > T 0 0 999.9 -57.8 -178.7 999.9 999.9 999.9 0 0.0 254 -2.1 0 0.0 0 0.0 7 24
252 A 292 SER S T T 3 T + 0 0 -60.0 -19.2 -179.9 55.5 999.9 47.7 0 0.0 0 0.0 0 0.0 0 0.0 5 23
253 A 293 PHE F T T 3 TS- 0 0 -94.7 1.6 -180.0 -113.2 114.7 66.3 0 0.0 0 0.0 0 0.0 0 0.0 6 26
254 A 294 GLY G S t < TS+ 0 0 73.5 24.3 179.3 114.9 80.8 40.0 251 -2.1 0 0.0 0 0.0 0 0.0 6 18
255 A 295 LEU L + 0 0 -125.3 154.5 179.9 170.5 36.7 154.7 0 0.0 0 0.0 0 0.0 0 0.0 8 35
256 A 296 SER S - 0 0 -150.6 177.7 179.5 -93.7 37.8 153.4 0 0.0 0 0.0 0 0.0 0 0.0 7 28
257 A 297 CYS C t > T - 0 0 -105.1 117.3 -179.9 -156.2 20.0 155.2 0 0.0 260 -1.7 0 0.0 0 0.0 12 30
258 A 298 PRO P T T 3 TS+ 0 0 -64.3 -16.1 179.7 69.9 91.6 47.7 0 0.0 0 0.0 0 0.0 0 0.0 5 26
259 A 299 TRP W T T 3 TS- 0 0 -84.3 8.0 176.6 -118.8 111.9 71.3 0 0.0 0 0.0 0 0.0 0 0.0 7 26
260 A 300 LYS K S t < TS+ 0 0 74.0 -2.8 178.2 101.9 83.8 68.7 257 -1.7 0 0.0 0 0.0 0 0.0 6 22
261 A 301 VAL V - 0 0 -116.2 109.9 -179.5 -151.3 60.4 158.6 0 0.0 0 0.0 0 0.0 0 0.0 10 27
262 A 302 PRO P - 0 0 -75.4 160.4 179.4 -95.8 24.4 105.8 0 0.0 0 0.0 0 0.0 0 0.0 9 31
263 A 303 PRO P - 0 0 -73.2 153.7 179.5 -146.1 37.4 115.2 0 0.0 0 0.0 0 0.0 0 0.0 11 44
264 A 304 ARG R - 0 0 -126.5 132.5 179.9 -105.1 22.1 171.0 245 -0.6 0 0.0 0 0.0 0 0.0 7 40
265 A 305 THR T - 0 0 -53.1 130.3 -179.6 -114.3 42.8 105.5 0 0.0 0 0.0 0 0.0 0 0.0 6 38
266 A 306 ILE I + 0 0 -73.0 135.8 179.9 170.1 43.7 119.8 0 0.0 0 0.0 0 0.0 0 0.0 11 36
267 A 307 SER S t > > T - 0 0 -139.5 164.9 179.2 -105.0 51.6 155.5 0 0.0 271 -2.5 0 0.0 270 -0.9 7 28
268 A 308 ASP D T T 4 3 TS+ 0 0 -60.6 -25.5 -179.2 58.3 122.4 37.1 0 0.0 0 0.0 0 0.0 0 0.0 6 24
269 A 309 GLN Q T T 4 3 TS+ 0 0 -76.3 -28.2 -179.5 20.1 121.0 41.4 0 0.0 0 0.0 0 0.0 0 0.0 6 17
270 A 310 ASN N T h > < TS+ 0 0 -121.6 -3.2 -178.0 97.1 94.2 62.3 267 -0.9 274 -2.7 0 0.0 0 0.0 8 26
271 A 311 VAL V H H X TS+ 0 0 -57.4 -36.9 179.8 55.7 82.4 32.5 267 -2.5 275 -2.8 0 0.0 0 0.0 12 33
272 A 312 ALA A H H > TS+ 0 0 -62.0 -47.8 -179.8 38.8 114.2 19.1 0 0.0 276 -1.9 0 0.0 0 0.0 9 32
273 A 313 ALA A H H > TS+ 0 0 -69.7 -39.4 179.7 50.9 116.6 28.5 0 0.0 277 -1.8 0 0.0 0 0.0 7 33
274 A 314 ARG R H H X TS+ 0 0 -63.9 -43.4 -180.0 48.2 111.8 23.4 270 -2.7 278 -2.4 0 0.0 0 0.0 10 42
275 A 315 SER S H H X TS+ 0 0 -64.4 -40.5 -179.9 56.1 106.9 27.6 271 -2.8 279 -3.1 0 0.0 0 0.0 11 49
276 A 316 ASP D H H X TS+ 0 0 -59.7 -41.0 179.3 44.9 110.9 25.0 272 -1.9 280 -1.4 0 0.0 0 0.0 8 42
277 A 317 LEU L H H X TS+ 0 0 -67.8 -47.1 -178.7 44.8 116.5 20.6 273 -1.8 281 -1.5 0 0.0 0 0.0 9 42
278 A 318 LEU L H H X TS+ 0 0 -65.0 -47.8 179.8 49.9 111.8 22.4 274 -2.4 282 -2.5 0 0.0 0 0.0 11 64
279 A 319 VAL V H H X TS+ 0 0 -60.4 -35.4 179.1 56.8 107.4 29.7 275 -3.1 283 -2.8 0 0.0 0 0.0 9 63
280 A 320 ASP D H H X TS+ 0 0 -61.8 -41.9 178.8 46.7 108.2 24.2 276 -1.4 284 -1.5 0 0.0 0 0.0 8 52
281 A 321 GLN Q H H X TS+ 0 0 -64.7 -44.7 179.8 51.2 112.1 22.5 277 -1.5 285 -2.4 0 0.0 0 0.0 14 57
282 A 322 TRP W H H X TS+ 0 0 -59.2 -45.6 -179.1 49.2 109.3 24.0 278 -2.5 286 -2.7 0 0.0 0 0.0 11 68
283 A 323 LYS K H H X TS+ 0 0 -67.5 -27.5 177.4 52.4 109.7 36.5 279 -2.8 287 -0.8 0 0.0 0 0.0 10 53
284 A 324 LYS K H H < > TS+ 0 0 -72.4 -42.8 178.9 46.6 110.9 22.7 280 -1.5 287 -0.7 0 0.0 0 0.0 13 55
285 A 325 LYS K H H < > TS+ 0 0 -62.9 -41.3 -179.6 58.8 107.3 23.1 281 -2.4 288 -1.9 0 0.0 0 0.0 12 66
286 A 326 ALA A H H < > TS+ 0 0 -59.4 -25.6 179.8 69.2 91.8 41.4 282 -2.7 289 -1.5 0 0.0 0 0.0 12 60
287 A 327 GLU E T h < < TS+ 0 0 -65.9 -21.1 -178.8 61.1 91.6 42.9 283 -0.8 0 0.0 284 -0.7 0 0.0 10 52
288 A 328 LEU L T T < TS+ 0 0 -83.8 -6.4 -179.2 58.0 103.4 57.8 285 -1.9 206 -0.5 0 0.0 0 0.0 12 50
289 A 329 TYR Y S t < TS- 0 0 -122.7 168.9 -176.2 -127.6 76.2 139.9 286 -1.5 0 0.0 0 0.0 0 0.0 11 58
290 A 330 ARG R S S S+ 0 0 -94.0 -15.2 179.8 58.8 79.4 51.3 0 0.0 0 0.0 0 0.0 0 0.0 9 52
291 A 331 THR T S S S- 0 0 -108.7 177.5 179.0 -115.0 81.2 123.5 0 0.0 0 0.0 0 0.0 0 0.0 11 49
292 A 332 ASN N S e S+ 0 0 -97.7 25.9 178.9 96.4 89.6 89.4 0 0.0 50 -3.4 0 0.0 294 -0.5 11 54
293 A 333 VAL V E E Ab - 50 0 -118.1 120.4 -177.4 -163.6 59.9 168.1 0 0.0 0 0.0 0 0.0 0 0.0 13 58
294 A 334 LEU L E E Ab - 51 0 -114.3 134.9 179.3 -146.9 11.2 153.2 50 -3.5 52 -2.9 292 -0.5 296 -0.6 12 60
295 A 335 LEU L E E Ab + 52 0 -99.0 123.1 179.3 179.2 16.4 148.3 0 0.0 0 0.0 0 0.0 0 0.0 9 70
296 A 336 ILE I E E Ab - 53 0 -125.0 94.4 179.5 -154.4 14.6 148.8 52 -3.0 54 -2.1 294 -0.6 0 0.0 10 75
297 A 337 PRO P E E Ab - 54 0 -65.4 146.9 178.5 -162.9 5.1 113.0 0 0.0 0 0.0 0 0.0 0 0.0 12 71
298 A 338 LEU L E E Ab + 55 0 -134.3 89.7 -179.1 67.0 47.3 141.5 54 -2.7 56 -1.9 0 0.0 0 0.0 11 63
299 A 339 GLY G E E Ab - 56 0 -179.4 -177.2 -179.4 -165.4 43.1 170.9 0 0.0 0 0.0 0 0.0 0 0.0 13 60
300 A 340 ASP D E E Ab > T - 57 0 -168.2 -170.4 -179.4 -25.9 56.0 153.8 56 -0.6 58 -2.1 0 0.0 303 -1.3 11 54
301 A 341 ASP D E E Ab 3 TS- 58 0 -61.4 124.9 179.5 -18.5 123.6 110.9 0 0.0 0 0.0 0 0.0 0 0.0 8 54
302 A 342 PHE F T e 3 TS+ 0 0 44.5 44.4 178.9 164.6 96.2 34.0 58 -2.8 0 0.0 0 0.0 0 0.0 11 54
303 A 343 ARG R t < T + 0 0 -83.8 171.3 -179.6 45.1 44.0 107.5 300 -1.3 0 0.0 0 0.0 0 0.0 10 54
304 A 344 PHE F S S S+ 0 0 59.6 48.5 -179.2 129.5 72.5 24.4 0 0.0 0 0.0 0 0.0 0 0.0 13 53
305 A 345 LYS K + 0 0 -95.9 -46.8 -179.2 56.1 54.8 32.1 0 0.0 0 0.0 0 0.0 0 0.0 13 48
306 A 346 GLN Q S h > > TS- 0 0 -94.2 145.7 179.3 -130.2 77.2 132.9 0 0.0 310 -1.9 0 0.0 309 -0.6 9 39
307 A 347 ASN N H H > 3 TS+ 0 0 -56.8 -41.9 179.9 56.2 111.8 25.8 0 0.0 311 -2.3 0 0.0 0 0.0 9 33
308 A 348 THR T H H > 3 TS+ 0 0 -60.6 -31.9 179.2 53.7 104.5 34.8 0 0.0 312 -2.6 0 0.0 0 0.0 6 31
309 A 349 GLU E H H > < TS+ 0 0 -69.8 -43.5 178.7 50.8 106.2 23.9 306 -0.6 313 -2.3 0 0.0 0 0.0 11 47
310 A 350 TRP W H H X TS+ 0 0 -58.0 -46.0 -179.8 46.4 114.0 19.4 306 -1.9 314 -2.5 0 0.0 0 0.0 11 50
311 A 351 ASP D H H X TS+ 0 0 -62.6 -49.1 -178.2 50.6 110.3 21.4 307 -2.3 315 -2.7 0 0.0 0 0.0 8 43
312 A 352 VAL V H H X TS+ 0 0 -60.3 -40.4 179.6 40.6 116.6 26.5 308 -2.6 316 -1.2 0 0.0 0 0.0 10 39
313 A 353 GLN Q H H X TS+ 0 0 -73.0 -49.9 -178.7 43.4 119.7 16.0 309 -2.3 317 -2.0 0 0.0 0 0.0 11 59
314 A 354 ARG R H H X TS+ 0 0 -61.3 -51.4 -178.7 47.1 114.4 21.0 310 -2.5 318 -2.5 0 0.0 0 0.0 8 52
315 A 355 VAL V H H X TS+ 0 0 -59.7 -46.9 -179.8 46.7 113.8 23.9 311 -2.7 319 -1.9 0 0.0 0 0.0 8 40
316 A 356 ASN N H H X TS+ 0 0 -64.9 -40.9 179.0 46.4 114.8 24.4 312 -1.2 320 -1.6 0 0.0 0 0.0 11 46
317 A 357 TYR Y H H X TS+ 0 0 -69.6 -34.4 178.4 57.1 107.9 28.2 313 -2.0 321 -2.8 0 0.0 0 0.0 8 60
318 A 358 GLU E H H X TS+ 0 0 -60.3 -41.2 179.7 49.8 106.6 24.0 314 -2.5 322 -2.5 0 0.0 0 0.0 8 44
319 A 359 ARG R H H X TS+ 0 0 -65.1 -36.6 179.2 48.8 111.3 29.8 315 -1.9 323 -1.7 0 0.0 0 0.0 11 39
320 A 360 LEU L H H X TS+ 0 0 -68.5 -44.5 179.8 49.1 111.5 21.9 316 -1.6 324 -3.1 0 0.0 0 0.0 12 53
321 A 361 PHE F H H X TS+ 0 0 -60.6 -47.4 -179.1 51.6 109.4 22.8 317 -2.8 325 -2.8 0 0.0 0 0.0 11 47
322 A 362 GLU E H H X TS+ 0 0 -57.9 -44.5 -179.8 40.4 116.6 22.9 318 -2.5 326 -0.7 0 0.0 0 0.0 8 38
323 A 363 HIS H H H X > TS+ 0 0 -68.6 -55.6 -179.2 45.4 117.9 13.3 319 -1.7 327 -1.1 0 0.0 326 -0.9 11 35
324 A 364 ILE I H H < > TS+ 0 0 -54.8 -48.5 -178.6 48.9 113.5 24.1 320 -3.1 327 -0.8 0 0.0 0 0.0 13 46
325 A 365 ASN N H H < 3 TS+ 0 0 -68.8 -16.9 -179.9 48.7 112.9 47.1 321 -2.8 0 0.0 0 0.0 0 0.0 12 37
326 A 366 SER S H H < < TS+ 0 0 -97.3 -12.5 179.6 82.1 93.7 55.5 323 -0.9 328 -1.0 322 -0.7 0 0.0 6 28
327 A 367 GLN Q h X X T - 0 0 -97.5 94.9 -179.0 -166.6 62.6 142.0 323 -1.1 330 -2.3 324 -0.8 331 -0.6 8 30
328 A 368 ALA A G G 4 > TS+ 0 0 -48.9 -38.0 -178.7 71.3 80.5 36.8 326 -1.0 331 -1.1 0 0.0 0 0.0 9 29
329 A 369 HIS H G G 4 3 TS+ 0 0 -56.4 -19.5 179.1 56.5 94.5 45.2 0 0.0 0 0.0 0 0.0 0 0.0 5 32
330 A 370 PHE F G G 4 < TS- 0 0 -79.4 -35.0 -178.7 -155.1 88.1 33.0 327 -2.3 0 0.0 0 0.0 0 0.0 9 44
331 A 371 ASN N e < < T + 0 0 56.8 45.2 -179.9 128.0 49.9 23.7 328 -1.1 49 -2.5 327 -0.6 0 0.0 13 40
332 A 372 VAL V E E Aa - 49 0 -133.0 144.5 176.8 -164.5 47.4 167.0 0 0.0 0 0.0 0 0.0 0 0.0 11 49
333 A 373 GLN Q E E Aa - 50 0 -129.0 103.3 -178.2 -179.3 23.7 159.6 49 -2.3 51 -2.4 0 0.0 0 0.0 11 47
334 A 374 ALA A E E Aa + 51 0 -109.9 146.1 179.7 149.1 9.3 146.6 0 0.0 0 0.0 0 0.0 0 0.0 11 55
335 A 375 GLN Q E E Aa - 52 0 -164.4 163.0 176.8 -85.8 50.2 170.9 51 -2.1 53 -2.7 0 0.0 0 0.0 8 51
336 A 376 PHE F E E Aa + 53 0 -71.7 142.7 179.6 161.7 59.4 122.6 0 0.0 0 0.0 0 0.0 0 0.0 10 53
337 A 377 GLY G e - 0 0 -152.8 178.4 178.4 -111.7 34.7 156.4 53 -2.3 0 0.0 0 0.0 0 0.0 12 49
338 A 378 THR T h > T - 0 0 -111.2 172.3 -179.9 -104.9 36.0 130.5 0 0.0 342 -1.6 0 0.0 0 0.0 16 54
339 A 379 LEU L H H > TS+ 0 0 -63.2 -44.4 -179.8 51.6 120.0 23.3 0 0.0 343 -2.3 0 0.0 0 0.0 11 58
340 A 380 GLN Q H H > TS+ 0 0 -61.5 -37.8 179.4 55.5 106.2 28.5 0 0.0 344 -2.8 0 0.0 0 0.0 8 57
341 A 381 GLU E H H > TS+ 0 0 -62.4 -39.3 178.7 50.3 107.3 26.3 0 0.0 345 -2.0 0 0.0 0 0.0 8 50
342 A 382 TYR Y H H X TS+ 0 0 -61.9 -53.9 -179.5 44.3 113.0 14.9 338 -1.6 346 -2.4 0 0.0 0 0.0 13 56
343 A 383 PHE F H H X TS+ 0 0 -60.0 -39.8 179.3 54.7 110.6 27.9 339 -2.3 347 -2.4 0 0.0 0 0.0 9 55
344 A 384 ASP D H H X TS+ 0 0 -59.7 -44.2 179.9 46.0 111.0 21.2 340 -2.8 348 -1.5 0 0.0 0 0.0 8 41
345 A 385 ALA A H H X TS+ 0 0 -65.3 -41.2 179.4 54.3 109.9 26.6 341 -2.0 349 -2.0 0 0.0 0 0.0 9 44
346 A 386 VAL V H H X TS+ 0 0 -59.3 -46.5 -179.4 44.4 111.1 21.6 342 -2.4 350 -2.0 0 0.0 0 0.0 11 47
347 A 387 HIS H H H X TS+ 0 0 -71.2 -25.1 177.5 58.1 108.1 38.5 343 -2.4 351 -2.6 0 0.0 0 0.0 8 39
348 A 388 GLN Q H H X TS+ 0 0 -68.3 -38.6 179.3 45.8 109.2 25.7 344 -1.5 352 -1.4 0 0.0 0 0.0 8 28
349 A 389 ALA A H H < >TS+ 0 0 -69.1 -38.4 179.2 52.8 111.4 28.5 345 -2.0 354 -2.2 0 0.0 0 0.0 13 30
350 A 390 GLU E H H < >5TS+ 0 0 -62.2 -46.1 179.6 47.5 109.6 22.7 346 -2.0 353 -1.5 0 0.0 0 0.0 11 29
351 A 391 ARG R H H < 35TS+ 0 0 -65.8 -29.3 179.2 62.0 103.5 36.2 347 -2.6 0 0.0 0 0.0 0 0.0 7 19
352 A 392 ALA A T h < 35TS- 0 0 -71.6 -7.9 179.5 -118.0 118.5 54.4 348 -1.4 0 0.0 0 0.0 0 0.0 7 19
353 A 393 GLY G T T <5TS+ 0 0 78.5 24.7 179.9 122.6 81.1 42.2 350 -1.5 0 0.0 0 0.0 0 0.0 7 17
354 A 394 GLN Q S t TS- 0 0 -170.1 154.9 -179.9 -25.0 109.3 164.6 0 0.0 373 -2.5 0 0.0 0 0.0 7 48
371 A 411 SER S T T 3 TS- 0 0 38.7 -123.7 -179.7 -27.2 120.3 91.5 0 0.0 0 0.0 0 0.0 0 0.0 6 43
372 A 412 ASP D T T 3 TS+ 0 0 -105.0 18.6 -179.4 126.5 98.6 82.8 0 0.0 374 -1.8 0 0.0 0 0.0 6 48
373 A 413 ASN N t < T + 0 0 -80.7 80.8 179.0 177.4 36.6 123.8 370 -2.5 369 -1.0 0 0.0 0 0.0 10 51
374 A 414 TYR Y B B E - 368 0 -88.3 133.1 -178.0 -135.3 29.9 136.6 372 -1.8 376 -1.6 0 0.0 681 -1.5 14 58
375 A 415 TRP W + 0 0 -86.2 61.0 179.3 118.8 66.4 114.6 367 -3.1 0 0.0 0 0.0 0 0.0 12 65
376 A 416 SER S g > T + 0 0 -102.0 -4.3 179.7 81.1 54.0 60.9 374 -1.6 379 -1.0 0 0.0 0 0.0 17 72
377 A 417 GLY G G G > > TS+ 0 0 -67.5 -39.0 -178.0 60.3 83.5 25.6 679 -1.6 380 -2.0 0 0.0 381 -1.7 13 79
378 A 418 TYR Y G G 4 3 TS+ 0 0 -69.1 -4.2 176.9 79.7 83.5 57.9 679 -1.3 0 0.0 0 0.0 0 0.0 13 77
379 A 419 TYR Y G G 4 < TS+ 0 0 -72.4 -13.6 -178.2 18.1 115.0 48.2 376 -1.0 0 0.0 0 0.0 0 0.0 14 79
380 A 420 THR T T g 4 < TS+ 0 0 -127.3 -28.2 -178.4 125.0 89.8 51.5 377 -2.0 0 0.0 0 0.0 0 0.0 16 78
381 A 421 SER S S t < TS+ 0 0 -43.8 134.5 -179.0 6.6 85.2 92.7 377 -1.7 0 0.0 0 0.0 0 0.0 14 79
382 A 422 ARG R S h > > TS- 0 0 53.7 59.4 -179.6 -179.7 75.6 14.8 0 0.0 386 -1.3 0 0.0 385 -0.6 11 69
383 A 423 PRO P H H > 3 TS+ 0 0 -63.2 -22.4 179.2 68.8 70.5 43.0 0 0.0 387 -2.1 0 0.0 0 0.0 14 74
384 A 424 TYR Y H H 4 3 TS+ 0 0 -60.9 -46.7 -178.4 39.8 106.1 18.2 0 0.0 0 0.0 0 0.0 0 0.0 9 65
385 A 425 HIS H H H 4 < TS+ 0 0 -74.6 -26.9 176.7 59.7 109.6 39.7 382 -0.6 0 0.0 0 0.0 0 0.0 9 71
386 A 426 LYS K H H < T 0 0 -65.6 -41.1 178.8 999.9 999.9 24.9 382 -1.3 389 -1.0 0 0.0 0 0.0 15 71
387!A 427 ARG R h < T 0 0 -70.5 999.9 999.9 999.9 999.9 25.2 383 -2.1 390 -1.6 0 0.0 0 0.0 12 69
388!A 429 ASP D 0 0 999.9 -45.4 -178.9 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 10 76
389 A 430 ARG R + 0 0 -68.8 -34.1 178.8 51.6 999.9 32.2 386 -1.0 0 0.0 0 0.0 0 0.0 10 70
390 A 431 VAL V 0 0 -66.7 -50.2 -180.0 999.9 999.9 16.9 387 -1.6 393 -2.2 0 0.0 0 0.0 8 67
391!A 432 LEU L 0 0 -64.1 999.9 999.9 999.9 999.9 29.6 0 0.0 394 -2.9 0 0.0 0 0.0 9 65
392!A 434 HIS H h > T 0 0 999.9 -41.1 179.6 999.9 999.9 999.9 0 0.0 396 -2.8 0 0.0 0 0.0 9 62
393 A 435 TYR Y H H > T + 0 0 -61.9 -40.1 179.1 50.6 999.9 25.7 390 -2.2 397 -2.7 0 0.0 0 0.0 10 66
394 A 436 VAL V H H > TS+ 0 0 -63.0 -47.7 179.1 47.0 111.8 17.2 391 -2.9 398 -2.8 0 0.0 0 0.0 12 66
395 A 437 ARG R H H 4 TS+ 0 0 -58.0 -47.6 -178.9 46.0 115.0 21.4 0 0.0 0 0.0 0 0.0 0 0.0 9 68
396 A 438 ALA A H H < TS+ 0 0 -64.3 -40.0 179.9 49.2 113.3 27.5 392 -2.8 0 0.0 0 0.0 0 0.0 8 63
397 A 439 ALA A H H < T 0 0 -66.7 -45.6 179.3 999.9 999.9 21.8 393 -2.7 400 -1.8 0 0.0 0 0.0 11 65
398!A 440 GLU E h < T 0 0 -65.6 999.9 999.9 999.9 999.9 26.5 394 -2.8 401 -0.8 0 0.0 0 0.0 11 62
399!A 442 LEU L 0 0 999.9 -36.8 -179.1 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 9 63
400 A 443 SER S t > T + 0 0 -86.2 -12.4 -179.4 74.1 999.9 50.6 397 -1.8 403 -0.8 0 0.0 0 0.0 10 57
401 A 444 ALA A T T 3 TS+ 0 0 -71.3 -24.0 -178.5 73.6 79.5 41.6 398 -0.8 0 0.0 0 0.0 0 0.0 9 60
402 A 445 TRP W T T 3 TS+ 0 0 -61.7 -27.7 179.9 38.4 103.1 38.4 0 0.0 0 0.0 0 0.0 0 0.0 7 55
403 A 446 HIS H S t < TS- 0 0 -122.3 164.1 175.5 -120.7 79.4 144.1 400 -0.8 0 0.0 0 0.0 0 0.0 5 52
404 A 447 SER S - 0 0 -97.3 136.0 -178.7 -146.0 38.9 148.4 0 0.0 0 0.0 0 0.0 0 0.0 8 44
405 A 448 TRP W - 0 0 -114.1 144.1 178.4 -115.5 11.2 151.4 0 0.0 915 -0.6 0 0.0 0 0.0 8 44
406 A 449 ASP D g > T - 0 0 -67.0 145.6 -179.4 -115.5 33.3 113.5 0 0.0 409 -2.3 0 0.0 0 0.0 7 31
407 A 450 GLY G G G > TS+ 0 0 -54.7 -28.3 -179.7 67.5 112.7 39.4 0 0.0 410 -1.5 0 0.0 0 0.0 8 26
408 A 451 MET M G G 3 TS+ 0 0 -67.2 -17.8 179.9 67.5 87.3 47.2 0 0.0 0 0.0 0 0.0 0 0.0 5 22
409 A 452 ALA A G G < TS- 0 0 -76.0 -15.4 179.1 -145.7 93.6 49.3 406 -2.3 0 0.0 0 0.0 0 0.0 8 37
410 A 453 ARG R h > < T + 0 0 55.3 30.2 179.7 141.3 50.5 39.1 407 -1.5 414 -2.1 0 0.0 0 0.0 9 38
411 A 454 ILE I H H > TS+ 0 0 -65.6 -53.1 -179.6 45.1 70.1 15.7 0 0.0 415 -2.5 0 0.0 0 0.0 10 51
412 A 455 GLU E H H > TS+ 0 0 -58.5 -39.6 179.7 54.4 112.5 27.3 0 0.0 416 -2.3 0 0.0 0 0.0 8 43
413 A 456 GLU E H H > TS+ 0 0 -59.7 -50.9 -179.3 42.9 111.1 19.7 0 0.0 417 -2.0 0 0.0 0 0.0 7 40
414 A 457 ARG R H H X TS+ 0 0 -65.6 -39.0 179.9 50.9 114.1 28.1 410 -2.1 418 -2.4 0 0.0 0 0.0 12 45
415 A 458 LEU L H H X TS+ 0 0 -67.8 -37.1 179.2 51.7 108.5 28.4 411 -2.5 419 -2.8 0 0.0 0 0.0 14 52
416 A 459 GLU E H H X TS+ 0 0 -64.8 -43.2 179.2 49.5 110.4 21.7 412 -2.3 420 -2.5 0 0.0 0 0.0 8 53
417 A 460 GLN Q H H X TS+ 0 0 -59.7 -48.6 -179.3 47.1 112.8 18.2 413 -2.0 421 -2.3 0 0.0 0 0.0 10 43
418 A 461 ALA A H H X TS+ 0 0 -60.3 -47.4 -179.8 48.6 112.3 20.7 414 -2.4 422 -2.1 0 0.0 0 0.0 14 50
419 A 462 ARG R H H X TS+ 0 0 -60.5 -40.2 -178.2 48.9 113.0 26.0 415 -2.8 423 -2.4 0 0.0 0 0.0 13 61
420 A 463 ARG R H H X TS+ 0 0 -71.1 -36.7 179.6 48.1 110.1 28.6 416 -2.5 424 -2.5 0 0.0 0 0.0 11 62
421 A 464 GLU E H H X TS+ 0 0 -70.7 -39.5 178.3 44.7 115.9 24.9 417 -2.3 425 -1.6 0 0.0 0 0.0 11 63
422 A 465 LEU L H H X TS+ 0 0 -68.1 -41.0 179.5 51.2 113.7 24.1 418 -2.1 426 -0.6 0 0.0 0 0.0 13 68
423 A 466 SER S H H < > TS+ 0 0 -61.2 -43.0 179.8 53.9 106.7 23.9 419 -2.4 426 -1.3 0 0.0 0 0.0 15 70
424 A 467 LEU L H H < > TS+ 0 0 -58.7 -40.7 -178.5 58.2 102.4 27.0 420 -2.5 427 -1.9 0 0.0 0 0.0 13 74
425 A 468 PHE F H H < 3 TS+ 0 0 -66.6 -15.5 178.9 73.9 88.2 48.4 421 -1.6 431 -2.2 0 0.0 0 0.0 10 76
426 A 469 GLN Q T h < < TS+ 0 0 -71.6 -11.2 178.9 121.7 72.5 51.4 423 -1.3 134 -2.8 422 -0.6 0 0.0 15 73
427 A 470 HIS H S t > X TS- 0 0 -49.0 148.9 -178.8 -111.8 81.3 96.5 424 -1.9 430 -2.1 0 0.0 431 -0.7 14 72
428 A 471 HIS H T T 4 3 TS+ 0 0 -71.5 8.6 174.0 43.6 120.2 69.5 0 0.0 0 0.0 0 0.0 0 0.0 13 76
429 A 472 ASP D T T 4 3 TS+ 0 0 -127.2 5.5 179.5 59.1 111.7 78.1 0 0.0 0 0.0 0 0.0 0 0.0 12 71
430 A 473 GLY G T T 4 X TS+ 0 0 -95.9 -86.4 -179.6 19.8 114.9 35.3 427 -2.1 433 -2.2 0 0.0 0 0.0 15 69
431 A 474 ILE I T T < 3 TS+ 0 0 -58.1 -24.2 179.9 70.3 117.6 40.9 425 -2.2 0 0.0 427 -0.7 0 0.0 14 69
432 A 475 THR T T T 3 TS- 0 0 -67.1 -20.0 -179.3 -131.5 101.6 47.1 0 0.0 0 0.0 0 0.0 0 0.0 15 76
433 A 476 GLY G S t < TS+ 0 0 70.8 32.0 -179.4 123.3 70.3 33.4 430 -2.2 0 0.0 0 0.0 0 0.0 15 78
434 A 477 THR T + 0 0 -110.8 18.2 179.8 101.0 41.9 80.3 0 0.0 0 0.0 0 0.0 0 0.0 13 72
435 A 478 ALA A S S S- 0 0 -99.8 165.9 179.3 -88.4 80.3 123.1 0 0.0 0 0.0 0 0.0 0 0.0 12 63
436 A 479 LYS K h > > T - 0 0 -68.2 157.6 -178.7 -102.6 46.3 108.5 63 -2.8 440 -2.3 0 0.0 439 -0.9 12 51
437 A 480 THR T H H > 3 TS+ 0 0 -48.9 -49.1 -178.5 48.3 120.4 29.2 0 0.0 441 -2.1 0 0.0 0 0.0 7 43
438 A 481 HIS H H H > 3 TS+ 0 0 -68.6 -21.8 178.9 52.5 111.1 39.1 0 0.0 442 -1.5 0 0.0 0 0.0 8 35
439 A 482 VAL V H H > < TS+ 0 0 -77.8 -40.3 177.4 51.9 106.4 26.8 436 -0.9 443 -2.4 0 0.0 0 0.0 13 46
440 A 483 VAL V H H X TS+ 0 0 -59.5 -40.2 179.3 53.1 108.7 24.1 436 -2.3 444 -2.4 0 0.0 0 0.0 11 53
441 A 484 VAL V H H X TS+ 0 0 -62.2 -40.7 179.1 51.6 106.7 26.2 437 -2.1 445 -2.6 0 0.0 0 0.0 8 42
442 A 485 ASP D H H X TS+ 0 0 -62.7 -44.3 178.7 49.0 109.8 22.8 438 -1.5 446 -2.5 0 0.0 0 0.0 9 42
443 A 486 TYR Y H H < TS+ 0 0 -60.9 -41.5 179.9 49.7 112.1 25.1 439 -2.4 0 0.0 0 0.0 0 0.0 10 53
444 A 487 GLU E H H < TS+ 0 0 -63.6 -45.2 179.7 49.0 110.4 23.4 440 -2.4 0 0.0 0 0.0 0 0.0 8 52
445 A 488 GLN Q H H < T 0 0 -60.6 -44.4 179.5 999.9 999.9 23.6 441 -2.6 448 -2.1 0 0.0 0 0.0 7 34
446!A 489 ARG R h < T 0 0 -60.6 999.9 999.9 999.9 999.9 22.1 442 -2.5 449 -1.9 0 0.0 0 0.0 8 42
447!A 491 GLN Q h > T 0 0 999.9 -40.9 179.3 999.9 999.9 999.9 0 0.0 451 -2.1 0 0.0 0 0.0 7 41
448 A 492 GLU E H H > T + 0 0 -65.2 -37.2 179.4 52.7 999.9 27.9 445 -2.1 452 -2.2 0 0.0 0 0.0 8 34
449 A 493 ALA A H H > TS+ 0 0 -64.8 -41.2 179.3 51.6 107.2 25.7 446 -1.9 453 -2.4 0 0.0 0 0.0 14 43
450 A 494 LEU L H H > TS+ 0 0 -62.3 -42.6 179.1 48.0 110.7 23.4 0 0.0 454 -2.4 0 0.0 0 0.0 11 47
451 A 495 LYS K H H < TS+ 0 0 -65.1 -39.2 179.1 51.6 110.4 27.1 447 -2.1 0 0.0 0 0.0 0 0.0 7 48
452 A 496 ALA A H H < TS+ 0 0 -62.5 -41.8 -179.8 49.7 110.7 23.5 448 -2.2 0 0.0 0 0.0 0 0.0 11 45
453 A 497 CYS C H H < T 0 0 -62.9 -45.4 179.8 999.9 999.9 23.4 449 -2.4 0 0.0 0 0.0 0 0.0 12 56
454!A 498 GLN Q h < T 0 0 -59.8 999.9 999.9 999.9 999.9 24.4 450 -2.4 0 0.0 0 0.0 0 0.0 10 57
455!A 500 VAL V 0 0 999.9 999.9 999.9 999.9 999.9 999.9 0 0.0 458 -2.1 0 0.0 0 0.0 12 59
456!A 502 GLN Q h > T 0 0 999.9 -36.2 177.8 999.9 999.9 999.9 0 0.0 460 -2.1 0 0.0 0 0.0 12 63
457 A 503 GLN Q H H > T + 0 0 -64.9 -39.3 -179.5 48.9 999.9 24.6 0 0.0 461 -1.8 0 0.0 0 0.0 10 59
458 A 504 SER S H H > TS+ 0 0 -66.0 -44.0 179.8 51.1 108.8 24.5 455 -2.1 462 -2.6 0 0.0 0 0.0 9 65
459 A 505 VAL V H H > TS+ 0 0 -60.8 -43.3 -179.8 52.2 108.7 23.0 0 0.0 463 -1.8 0 0.0 0 0.0 9 67
460 A 506 TYR Y H H < TS+ 0 0 -60.1 -43.2 -179.8 43.8 113.3 22.9 456 -2.1 0 0.0 0 0.0 0 0.0 10 59
461 A 507 ARG R H H < > TS+ 0 0 -69.9 -38.2 -179.2 50.6 113.7 27.8 457 -1.8 464 -0.7 0 0.0 0 0.0 10 51
462 A 508 LEU L H H < 3 TS+ 0 0 -72.0 -24.8 -178.1 37.2 118.1 41.2 458 -2.6 0 0.0 0 0.0 0 0.0 7 51
463 A 509 LEU L T h < 3 TS+ 0 0 -116.2 20.2 178.8 89.5 97.1 81.2 459 -1.8 891 -2.0 0 0.0 0 0.0 12 48
464 A 510 THR T B B F < TS- 890 0 -120.5 135.2 179.6 -99.5 87.2 163.8 461 -0.7 0 0.0 0 0.0 0 0.0 12 38
465 A 511 LYS K t > > T - 0 0 -49.8 126.2 -179.6 -126.9 36.5 105.1 889 -2.0 468 -2.1 0 0.0 469 -2.1 9 22
466 A 512 PRO P T T 4 3 TS+ 0 0 -44.1 -49.2 -178.5 50.7 105.9 33.1 0 0.0 0 0.0 0 0.0 0 0.0 6 22
467 A 513 SER S T T 4 3 TS+ 0 0 -73.9 -3.9 179.5 43.2 115.9 59.2 0 0.0 0 0.0 0 0.0 0 0.0 4 16
468 A 514 ILE I T T 4 < TS+ 0 0 -108.4 -30.1 -179.8 114.8 82.4 47.5 465 -2.1 0 0.0 0 0.0 0 0.0 8 18
469 A 515 TYR Y t < T + 0 0 -47.9 116.8 -179.8 166.2 32.9 101.3 465 -2.1 0 0.0 0 0.0 0 0.0 9 27
470 A 516 SER S - 0 0 -139.3 81.3 -179.1 -160.5 19.7 133.9 0 0.0 0 0.0 0 0.0 0 0.0 4 29
471 A 517 PRO P - 0 0 -73.8 141.0 174.9 -163.4 21.8 111.4 0 0.0 473 -0.6 0 0.0 0 0.0 6 37
472 A 518 ASP D t > T - 0 0 -114.9 103.2 -177.2 -152.4 18.9 166.8 0 0.0 475 -2.1 0 0.0 0 0.0 5 27
473 A 519 PHE F T T 3 TS+ 0 0 -61.8 -2.7 179.1 49.7 92.7 59.7 471 -0.6 0 0.0 0 0.0 0 0.0 8 31
474 A 520 SER S T T 3 TS+ 0 0 -110.3 -6.9 -178.0 99.5 92.9 61.6 0 0.0 0 0.0 0 0.0 0 0.0 5 29
475 A 521 PHE F S t < TS- 0 0 -85.6 147.7 178.8 -131.6 70.4 121.1 472 -2.1 477 -0.9 0 0.0 0 0.0 6 30
476 A 522 SER S + 0 0 -100.3 97.1 179.6 169.1 29.3 145.1 0 0.0 0 0.0 0 0.0 0 0.0 8 35
477 A 523 TYR Y S e S+ 0 0 -75.5 -30.3 179.0 23.4 72.4 37.2 475 -0.9 883 -2.8 0 0.0 0 0.0 10 42
478 A 524 PHE F E E DH - 882 0 -136.8 152.3 177.0 -145.5 67.3 166.7 0 0.0 0 0.0 0 0.0 0 0.0 11 54
479 A 525 THR T E E DH - 881 0 -115.6 132.8 179.0 -122.2 27.6 162.8 881 -2.0 881 -2.4 0 0.0 0 0.0 11 44
480 A 526 LEU L E E DH - 880 0 -75.5 138.4 177.8 -156.4 20.0 124.0 0 0.0 482 -0.5 0 0.0 0 0.0 10 60
481 A 527 ASP D E E DH + 879 0 -117.7 116.7 -179.5 179.7 13.3 166.8 879 -2.5 879 -0.5 0 0.0 483 -0.5 11 50
482 A 528 ASP D - 0 0 -120.6 116.8 -178.3 -171.0 13.0 165.8 480 -0.5 0 0.0 0 0.0 0 0.0 10 57
483 A 529 SER S S t >TS+ 0 0 -82.9 -11.1 -178.6 41.9 85.1 51.9 481 -0.5 488 -0.6 0 0.0 0 0.0 9 57
484 A 530 ARG R T T 5TS+ 0 0 -119.8 9.0 176.8 96.5 93.5 70.8 0 0.0 0 0.0 0 0.0 0 0.0 7 58
485 A 531 TRP W T T 5TS- 0 0 -153.4 125.9 -0.4 -9.6 110.6 155.5 0 0.0 0 0.0 0 0.0 0 0.0 8 53
486 A 532 PRO P T T 5TS- 0 0 -65.2 -17.7 178.8 -152.1 115.0 166.3 0 0.0 837 -0.5 0 0.0 0 0.0 11 43
487 A 533 GLY G T T > >5T - 0 0 104.2 155.5 179.4 -51.0 24.2 93.7 0 0.0 490 -2.1 0 0.0 491 -1.9 12 48
488 A 534 SER S T T 4 3 G > T - 504 0 -179.9 146.5 -179.7 -113.3 53.4 150.8 504 -2.7 504 -2.0 0 0.0 503 -2.0 8 29
501 A 547 GLU E T T 4 3 TS+ 0 0 -54.5 -37.0 -178.4 44.5 119.3 32.8 0 0.0 0 0.0 0 0.0 0 0.0 7 23
502 A 548 ASP D T T 4 3 TS+ 0 0 -94.9 13.1 -179.5 19.6 129.9 76.1 0 0.0 0 0.0 0 0.0 0 0.0 4 15
503 A 549 ILE I T T 4 < TS- 0 0 -144.4 -48.9 -179.1 -8.5 126.6 58.0 500 -2.0 0 0.0 0 0.0 0 0.0 6 21
504 A 550 LEU L B B < G T - 500 0 -165.1 116.5 -179.6 -165.4 41.4 142.8 500 -2.0 500 -2.7 0 0.0 0 0.0 10 30
505 A 551 PRO P S e S+ 0 0 -75.5 -30.4 -178.5 9.6 72.6 36.4 0 0.0 588 -2.5 0 0.0 0 0.0 9 35
506 A 552 SER S E E DJ - 587 0 -148.5 168.7 -178.8 -153.0 54.3 161.7 0 0.0 0 0.0 0 0.0 0 0.0 9 48
507 A 553 LYS K E E DJ - 586 0 -147.6 133.7 178.0 -133.5 16.6 172.4 586 -2.1 586 -2.7 0 0.0 0 0.0 13 54
508 A 554 HIS H E E DJ - 585 0 -87.9 139.7 177.0 -175.7 23.0 133.0 0 0.0 882 -2.3 0 0.0 0 0.0 11 62
509 A 555 VAL V E E DJK 584 881 -130.4 151.6 -179.1 999.9 999.9 161.0 584 -2.6 584 -2.8 0 0.0 0 0.0 11 73
510!A 556 VAL V E E D K 0 880 -133.9 999.9 999.9 999.9 999.9 173.9 880 -2.3 880 -2.8 0 0.0 0 0.0 11 68
511!A 558 HIS H 0 0 999.9 139.9 179.2 999.9 999.9 999.9 0 0.0 878 -2.4 0 0.0 513 -0.5 10 70
512 A 559 ASN N - 0 0 -121.7 101.7 -178.5 -174.9 999.9 156.2 580 -2.3 0 0.0 0 0.0 0 0.0 13 63
513 A 560 THR T + 0 0 -71.1 -16.2 -179.7 94.4 58.8 47.7 511 -0.5 0 0.0 0 0.0 0 0.0 10 66
514 A 561 LEU L S S S- 0 0 -79.5 145.5 -179.4 -120.4 83.4 121.2 0 0.0 516 -1.1 0 0.0 0 0.0 10 61
515 A 562 PRO P S S S+ 0 0 -78.4 39.5 176.9 66.1 86.6 96.5 0 0.0 901 -2.5 0 0.0 0 0.0 13 56
516 A 563 HIS H S S S- 0 0 -153.7 152.3 178.7 -85.9 95.6 170.3 514 -1.1 0 0.0 0 0.0 0 0.0 11 53
517 A 564 TRP W - 0 0 -57.2 137.9 -179.8 -169.9 53.5 110.4 0 0.0 0 0.0 0 0.0 0 0.0 10 46
518 A 565 ARG R E E E L - 0 577 -141.3 138.9 176.6 -162.5 21.0 175.8 577 -2.1 577 -2.7 0 0.0 0 0.0 10 48
519 A 566 GLU E E E E L + 0 576 -113.2 141.5 179.5 159.9 22.6 157.3 0 0.0 0 0.0 0 0.0 0 0.0 8 47
520 A 567 GLN Q E E E L - 0 575 -159.8 141.9 177.6 -108.7 42.2 163.5 575 -1.8 575 -2.6 0 0.0 0 0.0 8 55
521 A 568 LEU L E E E L - 0 574 -73.4 138.7 177.9 -170.8 38.5 124.3 0 0.0 0 0.0 0 0.0 0 0.0 9 57
522 A 569 VAL V E E E L - 0 573 -128.7 150.9 -179.8 -156.1 4.5 160.9 573 -2.6 573 -2.1 0 0.0 0 0.0 10 60
523 A 570 ASP D E E E L - 0 572 -131.5 151.2 178.9 -175.3 8.7 162.6 0 0.0 0 0.0 0 0.0 0 0.0 9 68
524 A 571 PHE F E E E L - 0 571 -138.8 152.4 176.6 -116.2 29.4 166.0 571 -2.0 571 -2.8 0 0.0 0 0.0 10 67
525 A 572 TYR Y E E EiL - 496 570 -89.3 132.4 179.4 -176.3 37.9 141.9 495 -0.5 497 -3.1 0 0.0 0 0.0 13 59
526 A 573 VAL V E E EiL - 497 569 -130.1 152.7 -178.3 -129.2 34.1 160.3 569 -3.1 569 -2.5 0 0.0 0 0.0 14 60
527 A 574 SER S S e S+ 0 0 -80.4 1.1 179.4 42.2 92.7 65.5 497 -2.1 0 0.0 0 0.0 0 0.0 11 48
528 A 575 SER S - 0 0 -147.2 147.0 179.7 -143.0 65.6 175.6 0 0.0 0 0.0 0 0.0 0 0.0 12 55
529 A 576 PRO P S S S+ 0 0 -81.9 -14.9 -178.8 81.4 90.8 48.7 0 0.0 531 -1.5 0 0.0 0 0.0 13 57
530 A 577 PHE F e + 0 0 -92.5 70.9 -179.5 130.6 64.9 122.7 0 0.0 589 -2.2 0 0.0 0 0.0 11 54
531 A 578 VAL V E E DM - 588 0 -127.2 138.6 179.5 -164.1 36.6 166.3 529 -1.5 0 0.0 0 0.0 0 0.0 14 58
532 A 579 SER S E E DM - 587 0 -120.9 152.8 -178.9 -137.0 11.9 152.8 587 -2.6 587 -2.7 0 0.0 0 0.0 15 54
533 A 580 VAL V E E DMN + 586 541 -114.3 143.1 178.0 171.8 21.5 151.4 541 -0.7 541 -2.6 0 0.0 0 0.0 14 56
534 A 581 THR T E E DMN - 585 540 -141.4 154.6 177.2 -126.4 28.0 163.7 585 -1.8 585 -2.9 0 0.0 0 0.0 12 42
535 A 582 ASP D E E DM > T - 584 0 -89.9 -179.7 -177.9 -89.5 47.8 111.5 539 -1.7 538 -2.0 0 0.0 0 0.0 12 40
536 A 583 LEU L T e 3 TS+ 0 0 -66.3 -22.4 178.8 62.0 129.6 38.1 583 -0.9 0 0.0 0 0.0 0 0.0 10 35
537 A 584 ALA A T T 3 TS- 0 0 -79.6 6.3 179.9 -114.7 119.6 67.4 0 0.0 0 0.0 0 0.0 0 0.0 6 23
538 A 585 ASN N t < T + 0 0 68.1 20.4 178.4 153.8 64.4 46.7 535 -2.0 0 0.0 0 0.0 0 0.0 6 25
539 A 586 ASN N e - 0 0 -79.0 129.4 179.7 -112.7 49.8 130.9 0 0.0 535 -1.7 0 0.0 0 0.0 7 27
540 A 587 PRO P E E DN - 534 0 -63.5 147.1 179.2 -153.7 28.6 108.6 0 0.0 0 0.0 0 0.0 0 0.0 9 32
541 A 588 VAL V E E DN - 533 0 -124.0 128.8 -179.7 -112.5 22.2 172.3 533 -2.6 533 -0.7 0 0.0 0 0.0 11 42
542 A 589 GLU E e - 0 0 -61.0 133.2 -179.2 -178.8 44.5 111.5 0 0.0 574 -0.6 0 0.0 0 0.0 9 44
543 A 590 ALA A E E EoP - 596 573 -135.2 160.7 178.6 -150.0 21.6 155.9 595 -2.6 597 -2.5 0 0.0 0 0.0 14 53
544 A 591 GLN Q E E EoP - 597 572 -131.4 135.1 178.0 -153.8 8.8 174.6 572 -2.6 572 -3.1 0 0.0 0 0.0 15 57
545 A 592 VAL V E E EoP + 598 571 -112.2 133.6 179.8 173.4 17.9 159.1 597 -2.6 599 -2.1 0 0.0 0 0.0 13 66
546 A 593 SER S E E E P - 0 570 -131.0 161.3 179.8 -96.6 34.6 152.8 570 -2.5 570 -3.0 0 0.0 0 0.0 12 64
547 A 594 PRO P E E E P - 0 569 -74.8 167.0 176.2 -111.7 34.5 105.6 0 0.0 549 -0.8 0 0.0 0 0.0 11 60
548 A 595 VAL V E E E * - 0 0 -99.9 109.1 -179.3 -165.9 40.6 154.4 568 -0.7 565 -2.0 0 0.0 0 0.0 10 63
549 A 596 TRP W E E E P - 0 564 -101.6 137.0 178.2 -177.0 11.2 145.3 547 -0.8 0 0.0 0 0.0 0 0.0 8 60
550 A 597 SER S E E E P - 0 563 -131.2 137.0 -179.8 -136.4 18.8 173.5 563 -2.3 563 -3.0 0 0.0 0 0.0 9 57
551 A 598 TRP W E E E P - 0 562 -96.9 140.1 -178.9 -171.8 21.2 139.7 0 0.0 0 0.0 0 0.0 0 0.0 11 49
552 A 599 HIS H E E E P - 0 561 -134.4 142.0 178.8 -128.9 28.8 169.9 561 -2.3 561 -1.7 0 0.0 554 -1.3 8 41
553 A 600 HIS H E E E P - 0 560 -88.0 92.3 -179.2 -143.3 32.6 137.1 0 0.0 555 -0.7 0 0.0 0 0.0 8 33
554 A 601 ASP D E E >E P >T - 0 559 -62.2 105.4 -179.8 -166.2 13.4 116.1 559 -2.3 558 -1.6 552 -1.3 559 -0.8 9 22
555 A 602 THR T T T 4 5TS+ 0 0 -64.3 -25.5 -179.6 47.9 86.5 40.7 553 -0.7 0 0.0 0 0.0 0 0.0 6 13
556 A 603 LEU L T T 4 5TS+ 0 0 -80.4 -59.5 -179.4 29.8 120.7 15.2 0 0.0 0 0.0 0 0.0 0 0.0 5 9
557 A 604 THR T T T 4 5TS- 0 0 -78.1 -9.9 -179.9 -131.8 99.5 54.5 0 0.0 0 0.0 0 0.0 0 0.0 5 21
558 A 605 LYS K T T < 5T + 0 0 59.7 40.2 179.2 117.1 67.0 27.3 554 -1.6 0 0.0 0 0.0 0 0.0 7 24
559 A 606 THR T E E E P T - 0 0 -71.5 152.4 -178.9 -117.1 14.4 110.6 0 0.0 596 -1.3 0 0.0 0 0.0 9 35
594 A 642 GLU E T T 3 TS+ 0 0 -57.5 -38.3 -177.3 42.6 110.5 33.9 0 0.0 0 0.0 0 0.0 0 0.0 5 27
595 A 643 HIS H T e 3 TS+ 0 0 -99.7 16.9 179.2 84.5 98.3 78.2 0 0.0 543 -2.6 0 0.0 0 0.0 10 35
596 A 644 THR T E E Eo < T - 543 0 -122.5 129.0 179.2 -168.5 55.9 167.7 593 -1.3 0 0.0 0 0.0 0 0.0 13 47
597 A 645 SER S E E Eo - 544 0 -108.8 165.8 -179.4 -129.8 15.5 133.0 543 -2.5 545 -2.6 0 0.0 0 0.0 9 45
598 A 646 TYR Y E E Eo - 545 0 -124.5 131.6 -179.2 -124.3 17.5 166.0 0 0.0 0 0.0 0 0.0 0 0.0 10 49
599 A 647 ALA A e - 0 0 -70.3 149.2 177.1 -128.2 19.9 108.4 545 -2.1 0 0.0 0 0.0 0 0.0 13 51
600 A 648 SER S E E GR - 701 0 -91.7 155.1 179.9 -151.2 22.4 130.6 701 -2.8 701 -2.2 0 0.0 0 0.0 11 47
601 A 649 ASN N E E GR - 700 0 -134.7 132.3 -179.3 -173.9 12.4 175.6 0 0.0 621 -2.9 0 0.0 0 0.0 11 55
602 A 650 LEU L E E GRs - 699 621 -128.9 120.4 179.9 -160.0 8.3 169.7 699 -2.8 699 -3.1 0 0.0 604 -0.7 11 52
603 A 651 LEU L E E GRs - 698 622 -103.5 114.0 -178.8 -159.5 11.1 152.9 621 -3.0 623 -1.4 0 0.0 605 -0.6 13 53
604 A 652 LEU L E E GRs + 697 623 -100.5 116.7 178.4 97.0 39.8 147.3 697 -3.3 697 -2.3 602 -0.7 0 0.0 14 47
605 A 653 ARG R e - 0 0 177.7 161.6 178.8 -91.0 68.0 156.5 623 -2.5 0 0.0 603 -0.6 0 0.0 13 43
606 A 654 LYS K S S S+ 0 0 -85.1 150.4 179.6 19.7 104.2 125.2 0 0.0 0 0.0 0 0.0 0 0.0 7 30
607 A 655 ASN N S S S- 0 0 57.1 55.6 180.0 -173.0 86.3 17.3 0 0.0 0 0.0 0 0.0 0 0.0 4 24
608 A 656 PRO P - 0 0 -79.7 158.4 177.9 -153.6 11.1 113.6 0 0.0 0 0.0 0 0.0 0 0.0 9 31
609 A 657 THR T - 0 0 -126.9 158.3 -178.7 -76.9 34.5 153.3 0 0.0 0 0.0 0 0.0 0 0.0 4 29
610 A 658 SER S - 0 0 -53.8 153.8 179.6 -159.5 33.8 93.5 0 0.0 0 0.0 0 0.0 0 0.0 4 27
611 A 659 LEU L - 0 0 -139.3 80.7 179.9 -166.2 9.9 133.8 0 0.0 0 0.0 0 0.0 0 0.0 7 41
612 A 660 PRO P - 0 0 -68.1 147.2 -179.1 -170.8 8.3 112.2 0 0.0 0 0.0 0 0.0 0 0.0 8 32
613 A 661 LEU L t > T - 0 0 -129.4 27.3 179.7 -134.8 26.8 88.6 0 0.0 616 -2.0 0 0.0 0 0.0 11 39
614 A 662 GLY G T T 3 TS+ 0 0 59.9 -123.6 -179.0 1.4 83.8 110.2 0 0.0 0 0.0 0 0.0 0 0.0 7 31
615 A 663 GLN Q T T 3 TS+ 0 0 -74.1 -10.5 -179.2 130.7 94.6 54.6 0 0.0 0 0.0 0 0.0 0 0.0 8 39
616 A 664 TYR Y t < T - 0 0 -50.9 123.7 -179.6 -137.7 57.1 103.5 613 -2.0 0 0.0 0 0.0 0 0.0 9 46
617 A 665 PRO P S S S+ 0 0 -49.0 -56.9 -178.0 56.3 78.9 29.0 0 0.0 0 0.0 0 0.0 0 0.0 6 43
618 A 666 GLU E S S S- 0 0 -93.5 138.4 -179.9 -126.4 80.4 133.8 0 0.0 0 0.0 0 0.0 0 0.0 7 38
619 A 667 ASP D - 0 0 -78.8 141.8 179.2 -105.1 31.8 121.7 0 0.0 0 0.0 0 0.0 0 0.0 9 35
620 A 668 VAL V - 0 0 -66.1 141.8 179.6 -143.8 34.2 112.8 0 0.0 0 0.0 0 0.0 0 0.0 10 41
621 A 669 LYS K E E Gs - 602 0 -107.5 152.1 -179.3 -155.2 12.5 141.6 601 -2.9 603 -3.0 0 0.0 0 0.0 8 36
622 A 670 PHE F E E Gs + 603 0 -125.7 165.0 179.6 149.8 19.6 145.2 0 0.0 0 0.0 0 0.0 0 0.0 9 33
623 A 671 GLY G E E Gs - 604 0 179.7 163.3 178.8 -79.6 46.6 162.3 603 -1.4 605 -2.5 0 0.0 0 0.0 10 31
624 A 672 ASP D - 0 0 -73.9 153.6 179.7 -78.4 68.0 115.7 0 0.0 0 0.0 0 0.0 0 0.0 7 29
625 A 673 PRO P + 0 0 -51.0 142.6 179.4 153.4 68.0 100.4 0 0.0 0 0.0 0 0.0 0 0.0 11 36
626 A 674 ARG R - 0 0 -165.6 161.3 179.1 -83.2 48.3 166.8 0 0.0 0 0.0 0 0.0 0 0.0 8 33
627 A 675 GLU E - 0 0 -72.0 145.8 -179.4 -168.1 48.8 117.3 0 0.0 0 0.0 0 0.0 0 0.0 10 36
628 A 676 ILE I E E HT - 640 0 -137.1 156.9 179.0 -154.2 15.8 162.1 640 -1.3 640 -3.2 0 0.0 0 0.0 8 45
629 A 677 SER S E E HT - 639 0 -131.4 138.5 -179.4 -177.4 15.7 171.8 0 0.0 0 0.0 0 0.0 0 0.0 8 48
630 A 678 LEU L E E HT - 638 0 -138.5 152.1 178.5 -176.7 9.8 166.8 638 -2.5 638 -2.6 0 0.0 0 0.0 9 53
631 A 679 ARG R E E HT - 637 0 -150.4 126.5 178.7 -160.5 8.6 162.4 0 0.0 0 0.0 0 0.0 0 0.0 11 43
632 A 680 VAL V e > T - 0 0 -109.4 131.7 -179.4 -37.6 63.6 157.4 636 -0.6 635 -1.9 0 0.0 0 0.0 14 40
633 A 681 GLY G T T 3 TS- 0 0 56.4 -140.2 179.0 -39.0 113.9 104.6 0 0.0 0 0.0 0 0.0 0 0.0 8 31
634 A 682 ASN N T T 3 TS+ 0 0 -102.6 16.9 180.0 114.1 111.3 82.0 0 0.0 0 0.0 0 0.0 0 0.0 7 25
635 A 683 GLY G S t < TS- 0 0 -71.4 -163.9 -179.9 -52.8 76.5 80.0 632 -1.9 0 0.0 0 0.0 0 0.0 12 39
636 A 684 PRO P e - 0 0 -73.4 160.9 178.1 -123.8 47.0 105.1 0 0.0 632 -0.6 0 0.0 638 -0.6 13 47
637 A 685 THR T E E HTU - 631 650 -107.2 121.0 -178.8 -159.0 27.8 159.8 650 -2.7 650 -2.5 0 0.0 0 0.0 13 48
638 A 686 LEU L E E HTU - 630 649 -106.8 137.1 178.9 -157.1 4.4 148.9 630 -2.6 630 -2.5 636 -0.6 0 0.0 12 57
639 A 687 ALA A E E HTU - 629 648 -111.4 137.9 -179.5 -163.8 10.8 155.1 648 -2.3 647 -3.3 0 0.0 648 -1.4 12 49
640 A 688 PHE F E E HTU - 628 646 -122.7 151.8 178.3 -120.4 17.8 153.7 628 -3.2 628 -1.3 0 0.0 0 0.0 13 50
641 A 689 SER S e > T - 0 0 -76.9 173.1 179.5 -97.1 42.3 103.8 645 -2.9 644 -2.0 0 0.0 0 0.0 11 47
642 A 690 GLU E T T 3 TS+ 0 0 -70.3 -5.3 178.6 64.1 126.2 55.0 0 0.0 0 0.0 0 0.0 0 0.0 10 43
643 A 691 GLN Q T T 3 TS- 0 0 -97.0 6.0 178.5 -109.0 120.6 72.1 0 0.0 0 0.0 0 0.0 0 0.0 14 50
644 A 692 GLY G S t < TS+ 0 0 77.0 17.8 -179.7 132.6 75.7 48.9 641 -2.0 0 0.0 0 0.0 0 0.0 11 57
645 A 693 LEU L e - 0 0 -106.4 140.3 179.7 -98.7 64.7 146.3 0 0.0 641 -2.9 0 0.0 0 0.0 11 60
646 A 694 LEU L E E HU + 640 0 -53.2 138.3 179.4 169.4 41.1 102.0 0 0.0 662 -1.7 0 0.0 0 0.0 12 59
647 A 695 LYS K E E H* - 0 0 -122.3 -32.1 -179.6 -1.5 60.2 51.8 639 -3.3 660 -1.8 0 0.0 0 0.0 12 45
648 A 696 SER S E E HUV - 639 659 -160.5 159.3 179.3 -144.2 51.2 173.2 639 -1.4 639 -2.3 0 0.0 0 0.0 12 49
649 A 697 ILE I E E HUV - 638 658 -131.6 129.1 178.4 -164.7 6.4 176.0 658 -2.2 658 -2.3 0 0.0 651 -0.6 13 55
650 A 698 GLN Q E E HU - 637 0 -115.3 109.6 -178.3 -164.8 3.8 161.1 637 -2.5 637 -2.7 0 0.0 0 0.0 12 42
651 A 699 LEU L S S S+ 0 0 -60.2 -46.5 179.9 10.9 71.7 25.0 649 -0.6 0 0.0 0 0.0 0 0.0 12 40
652 A 700 THR T S S S- 0 0 -131.4 166.2 -179.7 -105.4 79.8 149.4 0 0.0 0 0.0 0 0.0 0 0.0 10 28
653 A 701 GLN Q S S S+ 0 0 -60.3 -26.7 -179.6 41.9 124.0 38.2 0 0.0 0 0.0 0 0.0 0 0.0 6 23
654 A 702 ASP D S S S+ 0 0 -85.5 -48.7 -179.2 85.5 98.7 25.2 0 0.0 0 0.0 0 0.0 0 0.0 4 16
655 A 703 SER S S S S- 0 0 -50.8 162.8 180.0 -101.6 83.3 86.3 0 0.0 0 0.0 0 0.0 0 0.0 7 23
656 A 704 PRO P - 0 0 -86.1 169.6 179.4 -92.4 35.8 109.7 0 0.0 658 -1.2 0 0.0 0 0.0 7 26
657 A 705 HIS H - 0 0 -85.3 97.0 -179.3 -151.0 43.7 134.9 0 0.0 0 0.0 0 0.0 0 0.0 8 33
658 A 706 VAL V E E HV - 649 0 -73.5 123.4 179.8 -115.2 19.6 123.2 649 -2.3 649 -2.2 656 -1.2 0 0.0 7 42
659 A 707 PRO P E E HV + 648 0 -62.2 119.7 178.5 157.6 47.6 114.3 0 0.0 747 -0.6 0 0.0 0 0.0 10 42
660 A 708 VAL V E E HW - 746 0 -145.8 102.9 -177.3 -172.2 17.8 149.4 647 -1.8 0 0.0 0 0.0 0 0.0 12 54
661 A 709 HIS H E E HW - 745 0 -110.1 128.4 177.2 -151.3 14.0 152.8 745 -2.4 745 -2.3 0 0.0 0 0.0 11 49
662 A 710 PHE F E E HW + 744 0 -91.6 138.7 -179.8 170.8 24.3 138.7 646 -1.7 0 0.0 0 0.0 0 0.0 10 60
663 A 711 LYS K E E H* - 0 0 -149.4 143.2 178.4 -142.8 24.5 173.8 743 -2.2 0 0.0 0 0.0 0 0.0 9 54
664 A 712 PHE F E E H* + 0 0 -111.6 132.7 -179.7 168.1 26.4 158.7 0 0.0 690 -2.4 0 0.0 0 0.0 9 54
665 A 713 LEU L E E HWX - 742 689 -133.0 174.0 -180.0 -129.9 22.7 143.8 742 -2.3 742 -2.6 0 0.0 0 0.0 11 47
666 A 714 LYS K E E HWX - 741 688 -135.7 140.9 177.4 -153.0 4.9 171.6 688 -2.8 688 -2.6 0 0.0 0 0.0 12 51
667 A 715 TYR Y E E HW - 740 0 -104.7 148.6 179.2 -158.7 18.4 145.0 740 -2.7 740 -1.9 0 0.0 0 0.0 14 51
668 A 716 GLY G - 0 0 -111.9 -164.7 -179.9 -102.0 17.2 110.3 0 0.0 0 0.0 0 0.0 0 0.0 11 44
669 A 717 VAL V - 0 0 -123.3 150.9 -179.2 -98.8 37.4 154.2 0 0.0 0 0.0 0 0.0 0 0.0 11 44
670 A 718 ARG R - 0 0 -71.7 141.3 179.8 -154.8 15.3 115.1 682 -0.7 0 0.0 0 0.0 0 0.0 11 34
671 A 719 SER S S S S+ 0 0 -90.5 -6.5 179.8 47.2 84.4 60.4 0 0.0 0 0.0 0 0.0 0 0.0 5 23
672 A 720 HIS H S S S- 0 0 -136.0 142.1 179.3 -6.0 109.0 172.7 0 0.0 0 0.0 0 0.0 0 0.0 5 18
673 A 721 GLY G S S S+ 0 0 79.4 -154.2 -179.1 10.6 109.6 113.4 0 0.0 0 0.0 0 0.0 0 0.0 5 23
674 A 722 ASP D S S S- 0 0 -65.9 135.1 -180.0 -145.2 70.2 111.6 0 0.0 0 0.0 0 0.0 0 0.0 7 37
675 A 723 ARG R - 0 0 -104.2 151.0 178.8 -104.5 19.0 137.5 0 0.0 0 0.0 0 0.0 0 0.0 13 47
676 A 724 SER S + 0 0 -68.6 149.0 179.4 158.6 48.6 112.0 0 0.0 0 0.0 0 0.0 0 0.0 16 59
677 A 725 GLY G - 0 0 -149.8 -161.9 -179.7 -55.5 59.0 136.3 680 -1.6 0 0.0 0 0.0 0 0.0 14 59
678 A 726 ALA A S S S+ 0 0 -58.4 -31.8 -179.1 27.0 135.6 36.7 0 0.0 0 0.0 0 0.0 0 0.0 14 65
679 A 727 TYR Y S S S+ 0 0 -96.4 -49.4 -175.9 64.3 113.2 28.8 0 0.0 377 -1.6 0 0.0 378 -1.3 13 72
680 A 728 LEU L - 0 0 -90.0 141.2 177.0 -158.2 55.4 126.0 0 0.0 677 -1.6 0 0.0 682 -0.6 14 71
681 A 729 PHE F + 0 0 -112.8 106.8 -179.2 162.3 23.8 162.2 374 -1.5 0 0.0 0 0.0 0 0.0 12 74
682 A 730 LEU L - 0 0 -127.9 72.0 -179.6 -167.4 19.8 129.0 680 -0.6 670 -0.7 0 0.0 0 0.0 12 59
683 A 731 PRO P - 0 0 -61.1 151.7 178.3 -128.0 27.8 99.6 0 0.0 685 -0.8 0 0.0 0 0.0 12 55
684 A 732 ASN N S S S- 0 0 -95.9 55.8 179.9 -56.4 77.4 115.4 0 0.0 0 0.0 0 0.0 0 0.0 8 37
685 A 733 GLY G S S S- 0 0 98.7 176.6 179.8 -21.4 94.3 108.2 683 -0.8 0 0.0 0 0.0 0 0.0 7 35
686 A 734 PRO P S S S- 0 0 -56.2 154.5 -179.1 -84.8 83.1 98.5 0 0.0 0 0.0 0 0.0 0 0.0 7 38
687 A 735 ALA A - 0 0 -63.9 149.6 179.4 -136.8 37.8 103.0 0 0.0 0 0.0 0 0.0 0 0.0 8 43
688 A 736 SER S E E HX - 666 0 -109.0 139.1 -179.8 -99.4 29.5 152.2 666 -2.6 666 -2.8 0 0.0 0 0.0 7 26
689 A 737 PRO P E E HX - 665 0 -57.8 139.4 178.4 -115.4 36.9 104.5 0 0.0 0 0.0 0 0.0 0 0.0 8 31
690 A 738 VAL V e - 0 0 -76.8 130.4 179.2 -117.2 29.6 129.2 664 -2.4 692 -0.7 0 0.0 0 0.0 8 36
691 A 739 GLU E - 0 0 -71.5 113.1 -177.6 -179.7 35.9 127.1 0 0.0 0 0.0 0 0.0 0 0.0 5 29
692 A 740 LEU L - 0 0 -89.3 -23.3 -178.6 -172.0 7.0 45.2 690 -0.7 0 0.0 0 0.0 0 0.0 8 36
693 A 741 GLY G - 0 0 65.1 -136.1 179.1 -33.8 63.5 116.3 0 0.0 0 0.0 0 0.0 0 0.0 4 32
694 A 742 GLN Q S S S- 0 0 -121.0 78.1 -179.4 -165.0 77.7 135.3 0 0.0 0 0.0 0 0.0 0 0.0 6 36
695 A 743 PRO P - 0 0 -65.0 153.0 178.9 -108.0 23.4 100.9 0 0.0 0 0.0 0 0.0 0 0.0 12 49
696 A 744 VAL V e - 0 0 -82.9 131.0 -179.4 -158.9 34.4 133.1 560 -0.6 711 -1.8 0 0.0 0 0.0 13 59
697 A 745 VAL V E E GRY - 604 710 -117.2 131.7 179.6 -160.5 5.5 161.4 604 -2.3 604 -3.3 0 0.0 699 -0.5 15 64
698 A 746 LEU L E E GRY - 603 709 -114.0 123.1 -179.8 -168.2 4.9 160.5 709 -3.3 709 -2.7 0 0.0 700 -0.5 13 66
699 A 747 VAL V E E GRY - 602 708 -114.3 119.6 178.5 -174.5 3.0 160.2 602 -3.1 602 -2.8 697 -0.5 701 -0.5 12 63
700 A 748 THR T E E GRY - 601 707 -114.3 122.5 -179.0 -167.0 6.1 164.3 707 -2.7 707 -2.7 698 -0.5 702 -0.5 12 59
701 A 749 LYS K E E GR + 600 0 -115.7 119.5 -180.0 157.6 17.0 160.7 600 -2.2 600 -2.8 699 -0.5 0 0.0 11 52
702 A 750 GLY G - 0 0 -134.9 166.4 -180.0 -116.1 50.1 151.6 700 -0.5 0 0.0 0 0.0 0 0.0 13 48
703 A 751 LYS K S S S+ 0 0 -69.4 -36.3 -179.0 24.3 117.1 30.9 0 0.0 0 0.0 0 0.0 0 0.0 10 38
704 A 752 LEU L S S S+ 0 0 -99.7 -31.7 -178.4 17.9 133.9 40.3 0 0.0 0 0.0 0 0.0 0 0.0 12 46
705 A 753 GLU E + 0 0 -148.9 134.3 178.2 175.6 57.8 170.7 0 0.0 0 0.0 0 0.0 0 0.0 11 54
706 A 754 SER S - 0 0 -130.0 161.2 179.8 -179.9 10.4 152.4 0 0.0 0 0.0 0 0.0 0 0.0 15 60
707 A 755 SER S E E GY - 700 0 -162.3 157.9 177.6 -147.1 25.0 174.9 700 -2.7 700 -2.7 0 0.0 0 0.0 11 67
708 A 756 VAL V E E GYZ - 699 719 -128.8 119.3 -179.8 -178.3 24.3 173.1 719 -2.0 719 -2.5 0 0.0 0 0.0 12 63
709 A 757 SER S E E GYZ - 698 718 -122.3 140.9 179.8 -172.6 3.4 163.1 698 -2.7 698 -3.3 0 0.0 0 0.0 12 71
710 A 758 VAL V E E GYZ - 697 717 -136.9 137.5 179.8 -133.6 23.5 175.3 717 -2.5 717 -2.2 0 0.0 712 -1.1 14 63
711 A 759 GLY G E E G Z + 0 716 -91.0 94.7 -180.0 171.3 37.0 137.5 696 -1.8 0 0.0 0 0.0 0 0.0 13 58
712 A 760 LEU L E E G Z> T - 0 715 -97.2 164.6 179.5 -75.2 48.9 123.0 715 -2.5 715 -1.3 710 -1.1 0 0.0 10 58
713 A 761 PRO P T T 3 TS- 0 0 -63.9 122.9 179.6 -6.0 118.9 118.3 0 0.0 0 0.0 0 0.0 0 0.0 8 51
714 A 762 SER S T e 3 TS+ 0 0 76.7 -7.0 -178.0 71.7 129.3 71.9 0 0.0 732 -2.6 0 0.0 0 0.0 8 56
715 A 763 VAL V E E GZA< T - 712 731 -148.6 124.6 174.0 -159.2 57.3 160.5 712 -1.3 712 -2.5 0 0.0 717 -0.9 11 67
716 A 764 VAL V E E GZA - 711 730 -95.6 106.9 -177.7 -159.7 33.3 153.5 730 -2.0 730 -2.5 0 0.0 0 0.0 13 63
717 A 765 HIS H E E GZA - 710 729 -93.9 129.3 -177.9 -174.3 10.9 142.0 710 -2.2 710 -2.5 715 -0.9 0 0.0 12 68
718 A 766 GLN Q E E GZA - 709 728 -132.4 133.6 177.8 -165.6 16.7 169.7 728 -2.5 728 -2.4 0 0.0 720 -0.5 11 65
719 A 767 THR T E E GZA 708 727 -115.9 116.8 -178.1 999.9 999.9 166.1 708 -2.5 708 -2.0 0 0.0 0 0.0 11 63
720!A 768 ILE I E E G A 0 726 -110.9 999.9 999.9 999.9 999.9 152.7 726 -3.4 726 -2.6 718 -0.5 0 0.0 11 66
721!A 770 ARG R 0 0 999.9 15.4 178.8 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 12 52
722 A 771 GLY G + 0 0 116.7 -16.5 179.7 47.0 999.9 77.9 0 0.0 0 0.0 0 0.0 0 0.0 12 45
723 A 772 GLY G S S S- 0 0 -129.2 -147.1 179.0 -14.8 108.4 108.2 0 0.0 0 0.0 0 0.0 0 0.0 6 51
724 A 773 ALA A S S S- 0 0 -58.5 136.6 -179.9 -107.5 81.8 110.5 0 0.0 0 0.0 0 0.0 0 0.0 12 59
725 A 774 PRO P e - 0 0 -67.4 159.7 177.0 -132.1 22.2 102.4 0 0.0 842 -2.2 0 0.0 0 0.0 11 65
726 A 775 GLU E E E GAB - 720 841 -109.1 138.1 178.9 -154.1 17.7 156.1 720 -2.6 720 -3.4 0 0.0 0 0.0 10 63
727 A 776 ILE I E E GAB - 719 840 -115.6 135.4 177.9 -174.2 10.5 161.5 840 -2.1 840 -2.3 0 0.0 0 0.0 12 64
728 A 777 ARG R E E GAB - 718 839 -130.7 130.8 178.4 -168.4 4.2 176.8 718 -2.4 718 -2.5 0 0.0 0 0.0 12 66
729 A 778 ASN N E E GAB - 717 838 -120.4 118.4 176.1 -158.1 11.5 167.2 838 -2.5 838 -2.7 0 0.0 731 -1.1 12 65
730 A 779 LEU L E E GAB - 716 837 -92.7 101.1 -176.6 -162.3 26.7 147.1 716 -2.5 716 -2.0 0 0.0 732 -0.6 14 57
731 A 780 VAL V E E GAB + 715 836 -97.2 118.8 178.7 163.5 25.8 142.5 836 -3.0 836 -1.7 729 -1.1 0 0.0 13 64
732 A 781 ASP D e - 0 0 -132.9 90.5 -178.6 -178.3 10.5 145.4 714 -2.6 0 0.0 730 -0.6 0 0.0 10 50
733 A 782 ILE I t > T - 0 0 -67.5 -5.6 178.6 -176.1 24.4 58.0 0 0.0 736 -2.1 0 0.0 0 0.0 14 50
734 A 783 GLY G T T 3 T - 0 0 47.8 -126.1 -179.1 -24.1 59.5 98.0 0 0.0 0 0.0 0 0.0 0 0.0 7 39
735 A 784 SER S T T 3 TS+ 0 0 -106.0 19.9 179.3 133.5 89.4 82.8 0 0.0 737 -1.8 0 0.0 0 0.0 4 28
736 A 785 LEU L t X T - 0 0 -72.6 88.2 -178.9 -155.5 46.8 121.8 733 -2.1 739 -0.6 0 0.0 0 0.0 7 36
737 A 786 ASP D T T 3 T + 0 0 -68.1 150.9 179.7 13.0 66.6 106.3 735 -1.8 0 0.0 0 0.0 0 0.0 8 38
738 A 787 ASN N T T 3 TS+ 0 0 49.6 50.2 179.9 127.0 98.5 26.1 0 0.0 0 0.0 0 0.0 0 0.0 10 49
739 A 788 THR T E E H C< T - 0 817 -137.5 140.3 177.4 -166.3 42.9 174.0 817 -1.8 817 -2.6 736 -0.6 0 0.0 12 54
740 A 789 GLU E E E HWC - 667 816 -127.2 120.2 -178.8 -146.0 17.8 173.9 667 -1.9 667 -2.7 0 0.0 742 -0.5 11 68
741 A 790 ILE I E E HWC 666 815 -92.2 125.4 -179.9 999.9 999.9 141.5 815 -2.1 815 -1.0 0 0.0 0 0.0 11 66
742!A 791 VAL V E E HW 665 0 -118.5 999.9 999.9 999.9 999.9 154.5 665 -2.6 665 -2.3 740 -0.5 0 0.0 11 68
743!A 793 ARG R E E H* 0 0 999.9 147.7 177.4 999.9 999.9 999.9 0 0.0 663 -2.2 0 0.0 0 0.0 11 56
744 A 794 LEU L E E HWD - 662 811 -116.5 128.3 179.7 -161.7 999.9 166.6 811 -3.4 811 -1.7 0 0.0 0 0.0 10 58
745 A 795 GLU E E E HWD + 661 810 -115.0 126.6 -179.2 157.2 21.2 162.3 661 -2.3 661 -2.4 0 0.0 0 0.0 12 49
746 A 796 THR T E E HW - 660 0 -136.9 -179.4 179.1 -115.6 51.4 142.4 809 -1.3 0 0.0 0 0.0 0 0.0 9 49
747 A 797 HIS H e + 0 0 -101.7 7.3 179.6 133.1 66.1 75.6 659 -0.6 0 0.0 0 0.0 0 0.0 7 42
748 A 798 ILE I - 0 0 -63.3 128.1 -179.0 -134.3 59.6 115.7 0 0.0 750 -1.9 0 0.0 0 0.0 11 41
749 A 799 ASP D + 0 0 -84.5 64.7 -178.9 142.8 53.6 116.0 0 0.0 0 0.0 0 0.0 0 0.0 8 37
750 A 800 SER S t > T - 0 0 -78.7 -19.9 -180.0 -170.7 32.6 47.0 748 -1.9 753 -1.9 0 0.0 0 0.0 11 43
751 A 801 GLY G T T 3 T - 0 0 68.4 -118.5 179.8 -24.6 66.8 120.1 0 0.0 0 0.0 0 0.0 0 0.0 7 35
752 A 802 ASP D T e 3 TS+ 0 0 -113.2 13.4 -178.7 101.4 115.1 78.1 0 0.0 768 -3.3 0 0.0 0 0.0 11 41
753 A 803 ILE I E E IE < T + 767 0 -105.9 141.0 176.4 148.7 36.2 142.8 750 -1.9 0 0.0 0 0.0 0 0.0 12 53
754 A 804 PHE F E E IE - 766 0 -157.2 165.5 -178.0 -127.7 32.0 163.7 766 -2.0 766 -3.5 0 0.0 0 0.0 14 62
755 A 805 TYR Y E E IE + 765 0 -126.9 141.0 178.0 175.1 21.0 165.0 785 -2.7 0 0.0 0 0.0 0 0.0 11 69
756 A 806 THR T E E IE - 764 0 -135.8 157.0 -179.2 -115.3 28.2 160.1 764 -1.8 764 -2.9 0 0.0 0 0.0 13 70
757 A 807 ASP D E E IE - 763 0 -95.9 163.2 177.8 -135.4 12.3 122.7 784 -1.6 759 -0.6 0 0.0 0 0.0 14 69
758 A 808 LEU L E E >IE > TS- 762 0 -118.1 113.7 177.9 -30.2 81.3 166.4 762 -2.7 761 -2.5 0 0.0 762 -1.1 15 64
759 A 809 ASN N T T 4 3 TS- 0 0 52.7 29.0 179.8 -70.7 108.9 44.2 757 -0.6 140 -3.1 136 -0.5 0 0.0 14 63
760 A 810 GLY G T T 4 3 TS+ 0 0 65.1 17.5 -178.3 94.3 124.1 47.1 0 0.0 0 0.0 0 0.0 0 0.0 10 70
761 A 811 LEU L T T 4 < TS+ 0 0 -107.8 -37.9 -176.8 3.4 87.2 39.1 758 -2.5 0 0.0 0 0.0 0 0.0 10 65
762 A 812 GLN Q E E T - 0 0 -117.3 109.9 -179.5 -168.8 16.5 158.4 0 0.0 772 -1.7 0 0.0 0 0.0 8 38
770 A 820 ASP D T T 3 TS+ 0 0 -70.9 -10.9 178.8 71.6 86.1 50.1 768 -0.6 0 0.0 0 0.0 0 0.0 6 29
771 A 821 LYS K T T 3 TS+ 0 0 -78.1 -9.3 178.9 63.2 96.5 52.6 0 0.0 0 0.0 0 0.0 0 0.0 5 26
772 A 822 LEU L S t < TS- 0 0 -112.5 153.4 179.9 -97.5 98.2 144.9 769 -1.7 0 0.0 0 0.0 0 0.0 8 47
773 A 823 PRO P g > > T - 0 0 -67.3 160.8 -178.7 -99.8 40.4 102.9 0 0.0 776 -1.7 0 0.0 777 -0.8 8 45
774 A 824 LEU L G G 4 > TS+ 0 0 -45.8 -49.9 -178.3 55.3 121.1 29.4 0 0.0 777 -1.5 0 0.0 0 0.0 11 51
775 A 825 GLN Q G G 4 > TS+ 0 0 -61.7 -21.6 179.7 61.3 99.8 44.3 0 0.0 778 -0.9 0 0.0 0 0.0 10 62
776 A 826 ALA A G G 4 < TS+ 0 0 -76.8 -22.2 -179.6 57.9 98.2 42.6 773 -1.7 0 0.0 0 0.0 0 0.0 10 60
777 A 827 ASN N G G < < TS+ 0 0 -89.5 5.9 177.1 99.7 85.4 68.7 774 -1.5 0 0.0 773 -0.8 0 0.0 13 61
778 A 828 TYR Y g < T - 0 0 -91.6 137.9 -179.9 -178.9 53.4 139.5 775 -0.9 0 0.0 0 0.0 0 0.0 11 72
779 A 829 TYR Y E E JG - 803 0 -132.6 164.8 179.5 -85.8 35.4 150.7 803 -2.9 803 -2.2 0 0.0 0 0.0 13 74
780 A 830 PRO P E E JG - 802 0 -70.8 142.2 176.1 -163.3 29.7 119.2 0 0.0 0 0.0 0 0.0 0 0.0 15 79
781 A 831 ILE I E E JG + 801 0 -121.4 74.6 -179.5 166.2 19.9 135.7 801 -2.2 801 -1.4 0 0.0 0 0.0 16 73
782 A 832 PRO P S S S- 0 0 -63.0 -29.2 178.9 -17.4 80.5 34.9 0 0.0 0 0.0 0 0.0 0 0.0 16 72
783 A 833 SER S 0 0 -151.9 -13.3 179.8 999.9 999.9 62.9 0 0.0 797 -2.6 0 0.0 0 0.0 12 69
784!A 834 GLY G 0 0 -179.4 999.9 999.9 999.9 999.9 166.8 0 0.0 757 -1.6 0 0.0 0 0.0 12 73
785!A 836 PHE F 0 0 999.9 159.2 176.7 999.9 999.9 999.9 0 0.0 755 -2.7 0 0.0 0 0.0 11 75
786 A 837 ILE I E E GH + 793 0 -131.2 152.8 -179.3 169.2 999.9 161.4 793 -1.8 793 -2.4 0 0.0 0 0.0 14 62
787 A 838 GLU E E E GH - 792 0 -159.3 162.6 174.3 -164.4 20.4 171.5 0 0.0 0 0.0 0 0.0 0 0.0 13 60
788 A 839 ASP D e - 0 0 -130.6 -162.0 -178.6 -64.2 61.1 125.3 791 -2.1 0 0.0 0 0.0 0 0.0 9 41
789 A 840 ALA A S S S+ 0 0 -60.3 -32.0 -176.4 16.4 130.8 33.3 0 0.0 0 0.0 0 0.0 0 0.0 6 31
790 A 841 ASN N S e S+ 0 0 -115.5 -25.3 -176.1 49.3 118.1 44.7 0 0.0 847 -2.4 0 0.0 848 -0.8 8 31
791 A 842 THR T E E G I - 0 846 -127.5 148.1 177.9 -175.1 48.8 157.4 0 0.0 788 -2.1 0 0.0 0 0.0 12 49
792 A 843 ARG R E E GHI - 787 845 -138.2 142.9 177.3 -162.1 8.3 173.9 845 -2.5 845 -2.7 0 0.0 0 0.0 13 59
793 A 844 LEU L E E GHI - 786 844 -125.7 119.7 -179.7 -172.0 13.4 172.1 786 -2.4 786 -1.8 0 0.0 0 0.0 11 68
794 A 845 THR T E E G I - 0 843 -116.8 131.9 178.1 -163.5 9.3 161.3 843 -2.6 843 -3.0 0 0.0 796 -0.6 11 72
795 A 846 LEU L E E G I - 0 842 -114.7 115.6 178.8 -164.1 10.3 165.0 0 0.0 0 0.0 0 0.0 0 0.0 10 74
796 A 847 LEU L E E G I - 0 841 -98.5 145.4 -178.9 -150.8 9.0 141.8 841 -2.6 841 -1.6 794 -0.6 0 0.0 13 70
797 A 848 THR T E E G I - 0 840 -120.5 154.0 178.3 -155.0 24.6 148.9 783 -2.6 0 0.0 0 0.0 0 0.0 15 71
798 A 849 GLY G S e S+ 0 0 -103.5 10.6 179.8 34.0 89.5 76.3 839 -2.1 0 0.0 0 0.0 0 0.0 13 65
799 A 850 GLN Q S S S- 0 0 -160.2 147.8 179.7 -100.3 91.1 166.7 0 0.0 0 0.0 0 0.0 0 0.0 13 72
800 A 851 PRO P + 0 0 -77.4 131.3 179.7 155.5 51.6 126.9 0 0.0 0 0.0 0 0.0 0 0.0 16 69
801 A 852 LEU L E E JG - 781 0 -146.2 166.2 179.7 -95.4 43.1 158.1 781 -1.4 781 -2.2 0 0.0 0 0.0 14 71
802 A 853 GLY G E E JG + 780 0 -88.3 148.6 -179.7 153.0 50.7 128.1 0 0.0 0 0.0 0 0.0 0 0.0 14 76
803 A 854 GLY G E E JG + 779 0 -162.1 176.9 -179.0 173.2 16.9 166.5 779 -2.2 779 -2.9 0 0.0 0 0.0 11 75
804 A 855 SER S B B H - 812 0 -169.5 -175.0 175.9 -112.1 36.1 160.1 812 -2.0 812 -2.2 0 0.0 0 0.0 11 70
805 A 856 SER S + 0 0 -138.1 93.8 -177.3 176.6 30.8 148.1 0 0.0 0 0.0 0 0.0 0 0.0 14 58
806 A 857 LEU L + 0 0 -82.0 -4.4 178.8 21.3 68.1 60.1 0 0.0 0 0.0 0 0.0 0 0.0 11 49
807 A 858 ALA A S t > TS- 0 0 -159.6 150.8 -180.0 -76.7 99.3 168.1 0 0.0 810 -2.4 0 0.0 0 0.0 7 41
808 A 859 SER S T T 3 TS+ 0 0 -50.6 133.5 179.1 17.3 118.0 101.9 0 0.0 0 0.0 0 0.0 0 0.0 11 38
809 A 860 GLY G T e 3 TS+ 0 0 83.3 -1.2 -179.2 114.8 104.4 66.2 0 0.0 746 -1.3 0 0.0 0 0.0 14 46
810 A 861 GLU E E E HD < T - 745 0 -107.9 156.6 176.0 -179.8 38.3 135.1 807 -2.4 0 0.0 0 0.0 0 0.0 12 52
811 A 862 LEU L E E HD + 744 0 -143.9 137.1 177.3 178.1 12.0 168.2 744 -1.7 744 -3.4 0 0.0 0 0.0 13 65
812 A 863 GLU E B B H 804 0 -146.2 147.8 -178.4 999.9 999.9 176.7 804 -2.2 804 -2.0 0 0.0 0 0.0 10 68
813!A 864 ILE I 0 0 -144.3 999.9 999.9 999.9 999.9 172.1 0 0.0 0 0.0 0 0.0 0 0.0 10 73
814!A 866 GLN Q 0 0 999.9 -43.3 177.7 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 11 78
815 A 867 ASP D E E HC - 741 0 -167.4 164.9 -179.6 -147.6 999.9 165.3 741 -1.0 741 -2.1 0 0.0 0 0.0 12 76
816 A 868 ARG R E E HC - 740 0 -146.8 136.0 -179.8 -165.9 2.6 173.4 0 0.0 0 0.0 0 0.0 0 0.0 13 70
817 A 869 ARG R E E HC - 739 0 -126.2 114.3 -177.5 -178.5 16.0 169.3 739 -2.6 739 -1.8 0 0.0 0 0.0 15 55
818 A 870 LEU L B B I - 830 0 -122.4 128.5 -178.3 -162.8 21.4 165.1 830 -1.5 830 -2.3 0 0.0 0 0.0 14 56
819 A 871 ALA A S S S+ 0 0 -78.4 -27.7 -178.3 63.5 70.4 39.4 0 0.0 0 0.0 0 0.0 0 0.0 11 44
820 A 872 SER S S S S- 0 0 -105.1 160.9 178.6 -116.7 78.7 128.8 0 0.0 0 0.0 0 0.0 0 0.0 10 41
821 A 873 ASP D - 0 0 -86.2 147.1 -179.1 -139.1 19.0 128.6 0 0.0 0 0.0 0 0.0 0 0.0 14 43
822 A 874 ASP D - 0 0 -102.9 36.1 177.0 -106.7 41.5 94.8 0 0.0 0 0.0 0 0.0 0 0.0 14 47
823 A 875 GLU E S S S+ 0 0 49.7 38.1 178.3 113.8 88.1 41.1 0 0.0 0 0.0 0 0.0 0 0.0 6 35
824 A 876 ARG R S S S- 0 0 -117.7 13.3 178.0 -91.5 95.3 77.3 0 0.0 0 0.0 0 0.0 0 0.0 7 45
825 A 877 GLY G S S S+ 0 0 100.4 -12.1 -179.2 112.8 96.1 74.8 0 0.0 0 0.0 0 0.0 0 0.0 5 33
826 A 878 LEU L - 0 0 -61.9 -37.8 178.7 -150.0 63.3 29.6 0 0.0 0 0.0 0 0.0 0 0.0 13 44
827 A 879 GLY G + 0 0 75.3 21.2 178.8 61.2 63.7 44.0 0 0.0 0 0.0 0 0.0 0 0.0 8 31
828 A 880 GLN Q S S S- 0 0 -167.4 161.1 178.0 -122.9 72.4 167.5 0 0.0 0 0.0 0 0.0 0 0.0 8 39
829 A 881 GLY G - 0 0 -90.5 -156.6 179.0 -87.3 46.7 90.1 0 0.0 831 -0.6 0 0.0 0 0.0 13 49
830 A 882 VAL V B B I + 818 0 -121.3 95.2 -178.4 135.6 68.1 151.4 818 -2.3 818 -1.5 0 0.0 0 0.0 14 61
831 A 883 LEU L + 0 0 -125.1 14.7 -179.4 88.8 46.7 80.1 829 -0.6 0 0.0 0 0.0 0 0.0 8 44
832 A 884 ASP D + 0 0 -104.8 31.0 179.6 153.6 55.9 92.5 0 0.0 0 0.0 0 0.0 0 0.0 6 46
833 A 885 ASN N - 0 0 -58.2 150.8 178.2 -175.9 18.8 100.5 0 0.0 0 0.0 0 0.0 0 0.0 11 51
834 A 886 LYS K - 0 0 -147.0 152.9 -179.9 -77.2 38.1 168.4 0 0.0 0 0.0 0 0.0 0 0.0 8 47
835 A 887 PRO P - 0 0 -54.0 134.5 179.2 -177.8 52.3 104.4 0 0.0 0 0.0 0 0.0 0 0.0 11 50
836 A 888 VAL V E E GB - 731 0 -138.2 141.1 178.6 -137.2 25.2 175.6 731 -1.7 731 -3.0 0 0.0 838 -0.8 14 54
837 A 889 LEU L E E GB - 730 0 -100.8 102.9 178.4 -165.3 22.7 148.7 486 -0.5 0 0.0 0 0.0 0 0.0 15 59
838 A 890 HIS H E E GB - 729 0 -86.1 141.2 179.9 -159.2 6.2 133.3 729 -2.7 729 -2.5 836 -0.8 0 0.0 13 68
839 A 891 ILE I E E GB + 728 0 -125.5 149.0 -178.5 162.9 15.7 157.8 0 0.0 798 -2.1 0 0.0 0 0.0 12 63
840 A 892 TYR Y E E GBI - 727 797 -151.2 169.0 173.7 -136.9 29.0 160.3 727 -2.3 727 -2.1 0 0.0 0 0.0 12 65
841 A 893 ARG R E E GBI - 726 796 -131.5 136.3 -179.1 -151.4 18.4 172.9 796 -1.6 796 -2.6 0 0.0 843 -0.6 14 63
842 A 894 LEU L E E G I - 0 795 -115.5 113.5 -177.5 -172.6 13.3 160.6 725 -2.2 844 -0.6 0 0.0 0 0.0 12 72
843 A 895 VAL V E E G I - 0 794 -114.4 109.3 177.3 -175.3 7.5 153.7 794 -3.0 794 -2.6 841 -0.6 0 0.0 11 62
844 A 896 LEU L E E G I + 0 793 -98.2 129.5 -178.5 167.5 21.7 150.3 842 -0.6 0 0.0 0 0.0 0 0.0 11 67
845 A 897 GLU E E E G I - 0 792 -144.6 156.7 176.3 -120.0 40.5 168.3 792 -2.7 792 -2.5 0 0.0 0 0.0 8 60
846 A 898 LYS K E E G I + 0 791 -92.4 131.4 -178.4 174.3 30.3 145.1 0 0.0 0 0.0 0 0.0 0 0.0 8 47
847 A 899 VAL V e > T + 0 0 -125.3 15.0 -179.9 109.7 43.8 77.1 790 -2.4 850 -1.2 0 0.0 0 0.0 10 36
848 A 900 ASN N T T 3 TS+ 0 0 -62.9 -22.7 -179.7 45.9 86.1 41.7 790 -0.8 0 0.0 0 0.0 0 0.0 7 27
849 A 901 ASN N T T 3 TS+ 0 0 -99.1 -2.8 -179.3 108.5 89.7 62.6 0 0.0 0 0.0 0 0.0 0 0.0 7 23
850 A 902 CYS C S t < TS- 0 0 -79.0 142.6 177.4 -124.0 73.2 121.3 847 -1.2 852 -1.1 0 0.0 0 0.0 8 33
851 A 903 VAL V - 0 0 -84.1 103.0 -178.8 -179.6 44.8 138.1 932 -2.5 0 0.0 0 0.0 0 0.0 6 34
852 A 904 ARG R - 0 0 -105.4 162.9 179.5 -90.2 32.0 129.9 850 -1.1 0 0.0 0 0.0 0 0.0 8 43
853 A 905 PRO P - 0 0 -63.9 159.9 179.1 -92.2 54.9 103.8 0 0.0 0 0.0 0 0.0 0 0.0 10 42
854 A 906 SER S t > T - 0 0 -67.8 168.8 -179.2 -97.7 41.5 100.9 5 -0.5 857 -1.6 0 0.0 0 0.0 8 29
855 A 907 LYS K T T 3 TS+ 0 0 -61.4 -21.1 -179.0 52.5 124.2 45.0 0 0.0 0 0.0 0 0.0 0 0.0 4 34
856 A 908 LEU L T T 3 TS+ 0 0 -95.5 -3.5 179.9 109.3 81.4 60.7 0 0.0 0 0.0 0 0.0 0 0.0 6 36
857 A 909 HIS H t < T - 0 0 -75.1 133.8 -179.7 -147.2 61.5 123.5 854 -1.6 0 0.0 0 0.0 0 0.0 12 41
858 A 910 PRO P S e S+ 0 0 -78.3 -6.8 -178.6 72.4 71.9 57.7 0 0.0 765 -2.8 0 0.0 0 0.0 11 50
859 A 911 ALA A E E IF - 764 0 -110.6 167.0 177.8 -162.7 57.0 131.2 0 0.0 0 0.0 0 0.0 0 0.0 11 58
860 A 912 GLY G E E IF - 763 0 -138.5 159.9 -179.3 -148.1 10.9 158.0 763 -1.9 763 -0.7 0 0.0 0 0.0 12 60
861 A 913 TYR Y - 0 0 -137.8 145.5 179.3 -120.6 13.0 171.3 0 0.0 0 0.0 0 0.0 0 0.0 9 60
862 A 914 LEU L - 0 0 -77.1 163.6 176.5 -120.3 24.9 107.3 0 0.0 0 0.0 0 0.0 0 0.0 10 60
863 A 915 THR T h > T - 0 0 -93.8 168.6 178.9 -100.0 35.3 121.1 0 0.0 867 -2.4 0 0.0 0 0.0 9 58
864 A 916 SER S H H > TS+ 0 0 -56.0 -47.7 -178.8 50.7 123.0 22.4 0 0.0 868 -2.7 0 0.0 0 0.0 8 49
865 A 917 ALA A H H > TS+ 0 0 -60.1 -42.7 -179.4 47.0 111.4 26.0 0 0.0 869 -2.1 0 0.0 0 0.0 8 51
866 A 918 ALA A H H > TS+ 0 0 -67.9 -39.4 179.2 50.0 112.4 26.8 0 0.0 870 -2.1 0 0.0 0 0.0 11 55
867 A 919 HIS H H H X TS+ 0 0 -64.4 -45.7 179.5 47.0 112.1 20.4 863 -2.4 871 -2.2 0 0.0 0 0.0 10 59
868 A 920 LYS K H H X TS+ 0 0 -64.1 -35.4 179.2 54.3 109.8 27.6 864 -2.7 872 -1.9 0 0.0 0 0.0 8 55
869 A 921 ALA A H H X TS+ 0 0 -64.5 -38.9 178.9 50.3 107.6 26.1 865 -2.1 873 -0.9 0 0.0 0 0.0 11 51
870 A 922 SER S H H X > TS+ 0 0 -64.6 -41.9 179.5 50.9 109.4 22.4 866 -2.1 874 -2.5 0 0.0 873 -0.8 14 63
871 A 923 GLN Q H H X 3 TS+ 0 0 -64.2 -31.2 -179.7 59.5 103.2 33.2 867 -2.2 875 -2.4 0 0.0 0 0.0 9 64
872 A 924 SER S H H < 3 TS+ 0 0 -68.2 -24.4 -179.7 40.5 112.2 39.5 868 -1.9 0 0.0 0 0.0 0 0.0 8 63
873 A 925 LEU L H H < < TS+ 0 0 -88.9 -45.7 -177.7 34.9 123.2 27.7 869 -0.9 0 0.0 870 -0.8 0 0.0 13 61
874 A 926 LEU L H H < TS+ 0 0 -81.8 -34.3 -179.3 22.4 132.3 34.6 870 -2.5 0 0.0 0 0.0 0 0.0 10 61
875 A 927 ASP D S h < TS+ 0 0 -134.7 65.5 179.9 166.7 79.1 119.1 871 -2.4 0 0.0 0 0.0 0 0.0 9 62
876 A 928 PRO P - 0 0 -70.1 173.2 176.9 -76.0 50.2 97.0 0 0.0 0 0.0 0 0.0 0 0.0 8 60
877 A 929 LEU L - 0 0 -67.5 147.8 177.3 -126.4 48.8 115.8 0 0.0 0 0.0 0 0.0 0 0.0 9 60
878 A 930 ASP D - 0 0 -96.7 142.8 -178.1 -147.2 20.9 142.3 511 -2.4 0 0.0 0 0.0 0 0.0 9 64
879 A 931 LYS K E E DH - 481 0 -118.0 130.0 -180.0 -172.4 13.1 160.5 481 -0.5 481 -2.5 0 0.0 0 0.0 11 67
880 A 932 PHE F E E DHK - 480 510 -121.6 136.7 178.9 -157.0 9.4 163.3 510 -2.8 510 -2.3 0 0.0 882 -0.5 11 61
881 A 933 ILE I E E DHK - 479 509 -112.6 121.7 179.7 -120.9 27.0 163.0 479 -2.4 479 -2.0 0 0.0 0 0.0 13 56
882 A 934 PHE F E E DH - 478 0 -62.6 128.8 -177.7 -155.3 21.4 115.5 508 -2.3 0 0.0 880 -0.5 0 0.0 13 55
883 A 935 ALA A e + 0 0 -72.9 -50.3 -178.8 65.5 66.7 20.4 477 -2.8 0 0.0 0 0.0 0 0.0 8 43
884 A 936 GLU E S S S- 0 0 -70.0 170.3 -179.5 -111.8 88.9 96.3 0 0.0 0 0.0 0 0.0 0 0.0 6 37
885 A 937 ASN N S S S+ 0 0 -73.7 -34.9 179.8 28.5 99.2 31.6 0 0.0 0 0.0 0 0.0 0 0.0 7 30
886 A 938 GLU E - 0 0 -134.3 136.2 180.0 -155.1 61.7 173.2 0 0.0 888 -0.8 0 0.0 0 0.0 4 34
887 A 939 TRP W t > T - 0 0 -109.0 94.0 -179.6 -156.6 20.0 148.2 0 0.0 890 -1.2 0 0.0 0 0.0 8 44
888 A 940 ILE I T T 3 TS+ 0 0 -73.2 133.3 179.5 15.5 76.8 121.4 886 -0.8 0 0.0 0 0.0 0 0.0 6 32
889 A 941 GLY G T T 3 TS+ 0 0 81.2 12.7 -179.7 170.8 86.4 52.0 0 0.0 465 -2.0 0 0.0 0 0.0 9 28
890 A 942 ALA A B B F < T - 464 0 -59.6 139.8 178.7 -154.6 18.2 105.5 887 -1.2 0 0.0 0 0.0 0 0.0 8 46
891 A 943 GLN Q - 0 0 -115.6 151.7 -177.0 -137.0 13.3 149.9 463 -2.0 0 0.0 0 0.0 0 0.0 9 41
892 A 944 GLY G S e S+ 0 0 -86.4 -12.3 -178.1 13.5 74.7 51.4 0 0.0 583 -2.6 0 0.0 0 0.0 12 45
893 A 945 GLN Q E E FQ - 582 0 -163.6 153.5 177.2 -164.6 46.5 175.0 0 0.0 0 0.0 0 0.0 0 0.0 11 45
894 A 946 PHE F E E FQ S+ 581 0 -139.6 135.5 178.9 23.7 77.5 174.5 581 -2.2 581 -2.2 0 0.0 0 0.0 10 51
895 A 947 GLY G t > T + 0 0 89.4 11.1 179.7 139.0 64.6 53.8 0 0.0 898 -2.1 0 0.0 0 0.0 9 44
896 A 948 GLY G T T 3 TS+ 0 0 -59.8 -20.1 -179.7 49.5 78.4 42.7 0 0.0 0 0.0 0 0.0 0 0.0 8 35
897 A 949 ASP D T T 3 TS+ 0 0 -99.2 2.0 178.7 115.8 83.3 67.4 0 0.0 0 0.0 0 0.0 0 0.0 5 31
898 A 950 HIS H S t < TS- 0 0 -70.7 140.4 179.6 -103.1 77.3 119.1 895 -2.1 0 0.0 0 0.0 0 0.0 10 39
899 A 951 PRO P - 0 0 -64.6 142.4 178.8 -133.3 24.7 111.3 0 0.0 901 -1.0 0 0.0 0 0.0 11 39
900 A 952 SER S - 0 0 -100.0 97.1 -177.5 -150.5 32.0 146.4 0 0.0 941 -1.9 0 0.0 0 0.0 13 40
901 A 953 ALA A - 0 0 -68.9 158.8 178.8 -77.6 26.5 99.0 515 -2.5 0 0.0 899 -1.0 0 0.0 12 47
902 A 954 ARG R t > T - 0 0 -53.7 143.1 -176.7 -110.7 48.9 102.9 0 0.0 905 -2.3 0 0.0 0 0.0 9 44
903 A 955 GLU E T T 3 TS+ 0 0 -52.9 -27.5 -179.4 56.8 113.7 46.5 0 0.0 0 0.0 0 0.0 0 0.0 7 50
904 A 956 ASP D T e 3 TS+ 0 0 -87.1 0.5 -180.0 85.3 93.2 61.8 0 0.0 929 -2.4 0 0.0 0 0.0 8 51
905 A 957 LEU L E E KJ < T + 928 0 -105.0 138.4 178.5 179.9 55.0 146.3 902 -2.3 0 0.0 0 0.0 0 0.0 11 51
906 A 958 ASP D E E KJ - 927 0 -136.6 148.9 175.9 -136.0 33.4 167.6 927 -2.5 927 -2.5 0 0.0 908 -1.1 11 62
907 A 959 VAL V E E KJ - 926 0 -99.8 87.4 -177.9 -179.6 30.0 147.0 0 0.0 0 0.0 0 0.0 0 0.0 10 65
908 A 960 SER S E E K* 0 0 -58.6 -38.2 -179.5 999.9 999.9 32.4 925 -1.1 0 0.0 906 -1.1 0 0.0 9 62
909!A 961 VAL V E E KJ 925 0 -140.7 999.9 999.9 999.9 999.9 178.0 925 -1.5 925 -2.2 0 0.0 0 0.0 9 60
910!A 963 ARG R E E K* 0 0 999.9 123.2 177.2 999.9 999.9 999.9 0 0.0 923 -3.2 0 0.0 0 0.0 8 62
911 A 964 ARG R E E KJ - 922 0 -73.5 130.8 -176.7 -166.4 999.9 128.7 0 0.0 0 0.0 0 0.0 0 0.0 11 61
912 A 965 LEU L e + 0 0 -98.6 -6.4 -178.9 66.8 60.3 60.2 921 -2.8 0 0.0 0 0.0 0 0.0 8 57
913 A 966 THR T S S S- 0 0 -120.2 149.4 177.5 -128.9 73.0 151.9 921 -0.9 0 0.0 0 0.0 0 0.0 9 39
914 A 967 LYS K t > T - 0 0 -85.1 168.7 -177.5 -93.5 42.4 114.1 0 0.0 917 -1.8 0 0.0 0 0.0 10 34
915 A 968 SER S T T 3 TS+ 0 0 -56.7 -27.6 -178.9 65.9 118.6 42.8 405 -0.6 0 0.0 0 0.0 0 0.0 9 29
916 A 969 SER S T T 3 TS+ 0 0 -73.0 -12.4 -179.6 105.2 75.9 52.0 0 0.0 0 0.0 0 0.0 0 0.0 5 22
917 A 970 ALA A t < T - 0 0 -75.6 121.1 179.4 -151.2 62.5 125.6 914 -1.8 0 0.0 0 0.0 0 0.0 7 21
918 A 971 LYS K S S S+ 0 0 -55.2 -43.0 179.0 46.7 91.8 27.0 0 0.0 920 -0.7 0 0.0 0 0.0 5 22
919 A 972 THR T S S S- 0 0 -106.4 110.4 179.9 -149.5 86.1 155.0 0 0.0 0 0.0 0 0.0 0 0.0 7 27
920 A 973 GLN Q E E K K - 0 987 -78.4 145.4 179.6 -159.5 10.0 121.3 987 -2.1 987 -2.7 918 -0.7 0 0.0 13 39
921 A 974 ARG R E E K K - 0 986 -129.7 135.5 179.0 -171.4 8.2 171.6 0 0.0 912 -2.8 0 0.0 913 -0.9 11 49
922 A 975 VAL V E E KJK - 911 985 -128.0 127.9 -179.2 -150.9 11.6 172.5 985 -2.2 985 -2.5 0 0.0 0 0.0 12 59
923 A 976 GLY G E E K*K - 0 984 -102.3 145.1 179.4 -170.9 10.2 139.3 910 -3.2 0 0.0 0 0.0 0 0.0 13 62
924 A 977 TYR Y E E K*K - 0 983 -132.7 139.4 174.6 -156.6 13.4 172.3 983 -2.9 983 -2.4 0 0.0 926 -0.6 12 65
925 A 978 VAL V E E KJK - 909 982 -114.7 119.7 -179.6 -164.9 18.3 169.4 909 -2.2 909 -1.5 0 0.0 908 -1.1 12 63
926 A 979 LEU L E E KJK - 907 981 -108.7 127.0 178.4 -174.4 6.1 156.9 981 -3.3 981 -2.4 924 -0.6 0 0.0 14 59
927 A 980 HIS H E E KJK - 906 980 -123.9 132.6 177.4 -167.2 8.4 168.1 906 -2.5 906 -2.5 0 0.0 929 -0.5 12 56
928 A 981 ARG R E E KJ - 905 0 -117.3 121.8 179.0 -165.0 10.1 167.3 979 -2.4 0 0.0 0 0.0 0 0.0 12 52
929 A 982 THR T e - 0 0 -88.5 -172.2 178.2 -110.9 24.0 100.4 904 -2.4 0 0.0 927 -0.5 0 0.0 9 57
930 A 983 ASN N 0 0 -129.1 119.0 -179.4 999.9 999.9 167.3 0 0.0 0 0.0 0 0.0 0 0.0 8 49
931!A 984 LEU L 0 0 -107.7 999.9 999.9 999.9 999.9 148.1 0 0.0 0 0.0 0 0.0 0 0.0 9 49
932!A 986 GLN Q 0 0 999.9 118.5 -178.7 999.9 999.9 999.9 0 0.0 851 -2.5 0 0.0 0 0.0 7 34
933 A 987 CYS C - 0 0 -122.8 21.2 178.6 -75.8 999.9 84.3 0 0.0 0 0.0 0 0.0 0 0.0 8 29
934 A 988 GLY G S S S+ 0 0 97.8 13.4 179.5 138.1 84.4 51.9 0 0.0 0 0.0 0 0.0 0 0.0 6 18
935 A 989 THR T - 0 0 -97.4 120.5 -179.9 -143.2 49.2 147.4 0 0.0 0 0.0 0 0.0 0 0.0 5 21
936 A 990 PRO P - 0 0 -43.5 -55.1 179.9 -174.2 25.4 27.0 0 0.0 0 0.0 0 0.0 0 0.0 4 16
937 A 991 GLU E + 0 0 51.3 92.3 -178.5 157.8 19.6 19.2 0 0.0 0 0.0 0 0.0 0 0.0 4 21
938 A 992 GLU E + 0 0 -119.9 -147.9 179.9 64.2 25.2 99.0 0 0.0 0 0.0 0 0.0 0 0.0 4 18
939 A 993 HIS H + 0 0 19.3 85.2 178.0 139.5 59.4 42.3 0 0.0 0 0.0 0 0.0 0 0.0 4 17
940 A 994 THR T - 0 0 -145.5 142.6 -178.9 -130.6 42.4 173.0 0 0.0 0 0.0 0 0.0 0 0.0 8 26
941 A 995 GLN Q - 0 0 -97.3 151.7 178.6 -101.9 28.9 131.5 900 -1.9 0 0.0 0 0.0 0 0.0 8 29
942 A 996 LYS K - 0 0 -68.5 135.6 179.8 -136.8 35.8 118.6 0 0.0 944 -0.7 0 0.0 0 0.0 9 33
943 A 997 LEU L + 0 0 -102.1 115.5 177.8 178.3 24.0 150.7 0 0.0 945 -0.7 0 0.0 0 0.0 9 46
944 A 998 ASP D g > T - 0 0 -114.2 95.7 -178.3 -171.6 6.9 152.3 942 -0.7 947 -1.9 0 0.0 0 0.0 10 49
945 A 999 VAL V G G > TS+ 0 0 -59.6 -26.9 -179.2 68.6 79.7 37.9 943 -0.7 948 -1.5 0 0.0 0 0.0 10 62
946 A1000 CYS C G G 3 TS+ 0 0 -68.7 -15.0 178.5 46.0 101.8 46.3 0 0.0 0 0.0 0 0.0 0 0.0 12 53
947 A1001 HIS H G G < TS+ 0 0 -109.5 13.5 179.1 96.8 81.3 76.1 944 -1.9 0 0.0 0 0.0 0 0.0 9 45
948 A1002 LEU L S g < TS+ 0 0 -69.1 -30.2 178.2 47.5 88.0 35.5 945 -1.5 0 0.0 0 0.0 0 0.0 7 55
949 A1003 LEU L S S S- 0 0 -110.6 143.2 -179.5 -112.6 96.5 152.7 0 0.0 0 0.0 0 0.0 0 0.0 8 44
950 A1004 PRO P S S S+ 0 0 -72.0 167.5 178.3 35.1 87.9 98.7 0 0.0 0 0.0 0 0.0 0 0.0 6 29
951 A1005 ASN N S e S- 0 0 59.3 44.0 179.8 -173.6 72.7 28.9 0 0.0 988 -1.6 0 0.0 0 0.0 6 26
952 A1006 VAL V E E KL + 987 0 -72.2 129.7 -179.2 177.7 14.7 122.6 0 0.0 0 0.0 0 0.0 0 0.0 12 32
953 A1007 ALA A E E K* - 0 0 -104.2 -24.3 178.4 -1.8 65.7 50.4 986 -3.5 0 0.0 0 0.0 0 0.0 8 29
954 A1008 ARG R E E KL - 986 0 -165.6 154.6 -179.7 -150.9 53.6 166.5 986 -1.2 986 -2.7 0 0.0 0 0.0 9 37
955 A1009 CYS C E E KL - 985 0 -133.2 127.9 -178.8 -178.1 19.6 176.8 0 0.0 969 -2.9 0 0.0 0 0.0 15 46
956 A1010 GLU E E E KLM - 984 968 -131.8 144.3 176.4 -133.4 25.9 165.1 984 -2.1 984 -2.5 0 0.0 0 0.0 13 44
957 A1011 ARG R E E KLM + 983 967 -89.9 135.4 -178.7 178.9 38.8 142.9 967 -2.2 966 -3.4 0 0.0 967 -1.7 14 44
958 A1012 THR T E E KLM - 982 965 -131.6 173.5 175.9 -81.5 35.9 142.7 982 -2.5 982 -0.8 0 0.0 0 0.0 15 52
959 A1013 THR T e > T - 0 0 -67.1 161.5 -177.5 -98.8 57.6 109.8 964 -1.7 962 -2.5 0 0.0 0 0.0 14 52
960 A1014 LEU L T T 3 TS+ 0 0 -60.3 -17.9 179.6 56.3 126.3 46.7 181 -2.1 0 0.0 0 0.0 0 0.0 13 60
961 A1015 THR T T T 3 TS- 0 0 -90.3 -3.7 -179.5 -125.6 108.9 64.0 0 0.0 0 0.0 0 0.0 0 0.0 13 62
962 A1016 PHE F S t < TS+ 0 0 70.7 7.1 -176.8 116.6 79.6 59.6 959 -2.5 0 0.0 0 0.0 0 0.0 11 57
963 A1017 LEU L + 0 0 -82.8 -18.6 178.7 41.3 67.2 47.5 0 0.0 0 0.0 0 0.0 0 0.0 9 53
964 A1018 GLN Q S e S- 0 0 -134.1 134.1 178.8 -133.0 73.6 174.1 0 0.0 959 -1.7 0 0.0 966 -0.5 7 42
965 A1019 ASN N E E KM + 958 0 -83.7 126.0 -178.5 172.7 26.0 135.7 0 0.0 0 0.0 0 0.0 0 0.0 10 34
966 A1020 LEU L E E K* + 0 0 -104.5 -27.5 -178.9 15.1 62.0 45.3 957 -3.4 0 0.0 964 -0.5 0 0.0 8 30
967 A1021 GLU E E E KM - 957 0 -154.8 138.4 177.2 -139.5 56.4 168.2 957 -1.7 957 -2.2 0 0.0 969 -0.7 7 30
968 A1022 HIS H E E KM - 956 0 -95.6 114.7 -177.4 -139.3 35.2 150.9 0 0.0 970 -0.5 0 0.0 0 0.0 9 26
969 A1023 LEU L e - 0 0 -85.3 122.4 179.4 -131.7 8.3 131.7 955 -2.9 0 0.0 967 -0.7 0 0.0 10 28
970 A1024 ASP D 0 0 -67.3 148.0 -179.5 999.9 999.9 110.0 968 -0.5 0 0.0 0 0.0 0 0.0 5 22
971!A1025 GLY G 0 0 68.5 999.9 999.9 999.9 999.9 58.7 0 0.0 0 0.0 0 0.0 0 0.0 3 23
972!A1027 VAL V 0 0 999.9 124.1 179.1 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 10 38
973 A1028 ALA A - 0 0 -89.4 107.5 -180.0 -142.1 999.9 141.9 0 0.0 0 0.0 0 0.0 0 0.0 11 48
974 A1029 PRO P - 0 0 -69.6 147.9 179.7 -104.5 21.2 111.6 0 0.0 0 0.0 0 0.0 0 0.0 6 44
975 A1030 GLU E - 0 0 -67.5 161.9 -178.9 -113.0 39.4 104.0 0 0.0 0 0.0 0 0.0 0 0.0 8 45
976 A1031 VAL V - 0 0 -96.7 168.6 180.0 -101.3 24.9 117.6 0 0.0 0 0.0 0 0.0 0 0.0 10 42
977 A1032 CYS C 0 0 -82.2 163.9 179.5 999.9 999.9 110.8 0 0.0 0 0.0 0 0.0 0 0.0 8 36
978!A1033 PRO P 0 0 -58.2 999.9 999.9 999.9 999.9 109.3 0 0.0 0 0.0 0 0.0 0 0.0 9 46
979!A1035 GLU E e 0 0 999.9 154.2 178.6 999.9 999.9 999.9 0 0.0 928 -2.4 0 0.0 0 0.0 8 56
980 A1036 THR T E E KK + 927 0 -134.3 131.4 -180.0 175.5 999.9 178.0 0 0.0 0 0.0 0 0.0 0 0.0 9 57
981 A1037 ALA A E E KK - 926 0 -135.4 158.4 179.1 -142.4 18.6 158.8 926 -2.4 926 -3.3 0 0.0 0 0.0 13 58
982 A1038 ALA A E E KKL - 925 958 -124.4 141.5 179.4 -175.1 16.1 164.4 958 -0.8 958 -2.5 0 0.0 0 0.0 14 59
983 A1039 TYR Y E E KKL - 924 957 -134.6 148.8 177.9 -157.3 11.2 166.7 924 -2.4 924 -2.9 0 0.0 0 0.0 15 57
984 A1040 VAL V E E KKL - 923 956 -128.6 123.1 178.6 -159.1 8.5 172.2 956 -2.5 956 -2.1 0 0.0 0 0.0 14 57
985 A1041 SER S E E KKL - 922 955 -102.0 138.0 179.2 -150.6 7.1 147.7 922 -2.5 922 -2.2 0 0.0 0 0.0 15 56
986 A1042 SER S E E KKL - 921 954 -108.5 138.5 -177.9 -163.3 10.8 153.7 954 -2.7 953 -3.5 0 0.0 954 -1.2 12 48
987 A1043 HIS H E E KKL 920 952 -128.8 131.4 -179.1 999.9 999.9 169.1 920 -2.7 920 -2.1 0 0.0 0 0.0 12 37
988 A1044 SER S e 0 0 -83.9 999.9 999.9 999.9 999.9 103.5 951 -1.6 0 0.0 0 0.0 0 0.0 8 27
1htyA.pdb
1HTY HYDROLASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand SSS SB HHHH SSSTTS GGGSBTTB EEEEEEEEEE SSSSS HHHHHHHTHHHHHHHHHHHHHH EEE HHH Kabs/Sand
chirality --+++---+-+ +++ +-+----+-++-------++++-+++-------+------+++--++++++-+++++++++++++++- --++++++ chirality
bends SSS S SS SSSSSS SSSS SSS SSSSS SSSSSSSSSSSSSSSSSSSSSS SSS bends
turns TTTTTT TTTT TTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTT TTTT turns
5-turns >>555<< 5-turns
3-turns >33< >>3<<>33< >33< >33< 3-turns
bridge-2 bbbbbbbbb c bridge-2
bridge-1 a B B aaaaa c ccc bridge-1
sheets AAAAAAAAAA BBB sheets
4-turns >>44<< >>>>X<<>>XXXXXXXX<<<< >>>> 4-turns
summary SSS SB hHHHHh SStTTt gGGGgBTTB EEEEEEEEEE SSSSShHHHHHHHhHHHHHHHHHHHHHHh EEE hHHH summary
sequence CQDVVQDVPNVDVQLELYDRSFKDIDGGVWKQGWNIKYDPLKYNAHHKLKVFVVPHSHNDPGWIQTFEEYYQHDTKHILSNALRHLHDNPEKFIWAEISY sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHHHHTTS HHHHH HHHHTTSEEESS SSS HHHHHHHHHHHHHHHHH EEEE SSSB HHHHTTT EEEE HHHHHHH Kabs/Sand
chirality +++++++--++++ ++++-++-----+- -+++--++++++++++++++++ ---+--++++----- +++++-+++---+++--+++++++ chirality
bends SSSSSSSS SSSS SSSSSSS SS SSS SSSSSSSSSSSSSSSS S SSS SSSSSS SSSSSSS bends
turns TTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTT TTTTTTTTT TTTTTTTT turns
5-turns >5555< >5555< > 5-turns
3-turns >>3<< >33< >33< >>3<< >33< 3-turns
bridge-2 eee bridge-2
bridge-1 ccc dddd D dddd bridge-1
sheets BBB CCCC CCCC sheets
4-turns XX>>4<<<>>44<< >>>>XXXXXXXXXXX<<<< >>44<< >>>>XXX< 4-turns
summary HHHHHhTthHHHHHhhHHHHhTeEEEeS SSS hHHHHHHHHHHHHHHHHHh eEEEE SSSB hHHHHhTTteEEEEe hHHHHHHH summary
sequence FARFYHDLGENKKLQKSIVKNGQLEFVTGGWVPDEANSHWRNVLLQLTEGQTWLKQFNVTPTASWAIDPFGHSPTPYILQKSGFKNMLIQRTHYSVKKEL sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand HHTT SSEEE TT SS TT EEEE S SSGGGTSSS HHHHGGG TT TTS TTS TTTHHHHHHHHHHHHHHHHTTSSSSEEEEEEEE Kabs/Sand
chirality ++-++++--+--++++-+++--- -+-+-++++--+-+++++++-+ +-++--+-+-----+-+++++++++++++++++++++-+-+--+--+-- chirality
bends SSSS SS SS SS SS S SSSSSSSSS SSSSSSS S SS SSS SSSSSSSSSSSSSSSSSSSSSSSSS bends
turns TTTTT TTTT TTTT TTTTTT TTTTTTTTTTTTTTTT TTTT TTTTTTTTTTTTTTTTTTTTTTT T turns
5-turns 5555< 5-turns
3-turns >33< >33< >33< >>3<< >33X>><33< >33< >33< >>><<< > 3-turns
bridge-2 gg FFF bridge-2
bridge-1 FFF eee bbbbbbbb bridge-1
sheets CCC CCCC AAAAAAAA sheets
4-turns <<< >444< >>44<< >44>X>>XXXXXXXXXX<<<< 4-turns
summary HHhTtSSEEEetTTtSStTTtEEEE S SgGGGgtSShHHHHhGGgTTttTTt tTTt tTThHHHHHHHHHHHHHHHHhTtSSeEEEEEEEE summary
sequence AQQRQLEFLWRQIWDNKGDTALFTHPFYSYDIPHTCGPDPKVCCQFDFKRGSFGLSCPWKVPPRTISDQNVAARSDLLVDQWKKKAELYRTNVLLIPLGD sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand ET S SHHHHHHHHHHHHHHHHHHHH GGG EEEEE HHHHHHHHHHHHHTTS EE S B S BSSTT B GGGTSSHHHH HHHHH Kabs/Sand
chirality -++++-++++++++++++++++++++-++-+--+-+--+++++++++++++-++------+--++-+----++-+++++++-+++ + ++++ + chirality
bends SS S SSSSSSSSSSSSSSSSSSSSS SSS SSSSSSSSSSSSSSSS S S SSSS SSSSSSSSS SSS bends
turns TTT TTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTT TTTT TTTTTTTTTTTT TTTTTTT T turns
5-turns >5555< 5-turns
3-turns 33< >33< >>33<< >33< >33< >>3<< >33< > 3-turns
bridge-2 a bridge-2
bridge-1 b aaaaa gg D E E bridge-1
sheets A AAAAA CC sheets
4-turns >>>>XXXXXXXXXXXXXX<<>>>XXXXXXX<<<< >444<>>44<< >>>4<<< 4-turns
summary EetS hHHHHHHHHHHHHHHHHHHHHhGGGeEEEEEehHHHHHHHHHHHHHhTt eEE S B S BStTTtB gGGGgthHHHHh hHHHHHh t summary
sequence DFRFKQNTEWDVQRVNYERLFEHINSQAHFNVQAQFGTLQEYFDAVHQAERAGQAEFPTLSGDFFTYADRSDNYWSGYYTSRPYHKRDRVLHYVRAAELS sequence
310 320 330 340 350 360 370 380 390 400
author author
Kabs/Sand TTS GGG HHHHHHHHHHHHHHHTSTTTTTS S HHHHHHHHH HHHHHH HHHHHHTB TTT TTS SEEEE STTTTTTT S EE B Kabs/Sand
chirality ++----++-+++++++++++++++++-++++-++--++++++++ +++++ +++++++--++++---++-++---+-++---++--++----++- chirality
bends SSS SSS SSSSSSSSSSSSSSSSSSSSSSS S SSSSSSSS SSSS SSSSSSS SSS SSS S SSSS SSS S bends
turns TTT TTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTT TTTT TTTTTTTTT T turns
5-turns >5555< 5-turns
3-turns 33< >>3<< >>333< >33<>33< >33< >33< > 3-turns
bridge-2 bridge-2
bridge-1 F HHHH ii G bridge-1
sheets DDDD EE sheets
4-turns >>>>XXXXXXXXX<<<<>444< >>>>XXX<<<<>>>><<<< >>>><<<< >444< >444< > 4-turns
summary TTt gGGGhHHHHHHHHHHHHHHHhtTTTTTt ShHHHHHHHHHhhHHHHHHh hHHHHHHhBtTTTt tTTt eEEEE tTTTTTTTt SeEE B summary
sequence AWHSWDGMARIEERLEQARRELSLFQHHDGITGTAKTHVVVDYEQRQEALKACQVQQSVYRLLTKPSIYSPDFSFSYFTLDDSRWPGSGVEDSRTTIILG sequence
410 420 430 440 450 460 470 480 490 500
author author
Kabs/Sand TTTBSEEEEE SSS EEEEEEEEES S EEEEETT EE EEEEEEEEEEEETTTTEEEEEEEEEEEEEEEEEEE EE EEEEE SS TTEEE E Kabs/Sand
chirality ++--+--- -+-+---+-------+-++--+--+-+------+---------++-+-+-----+++---+----- --+------+---++----- chirality
bends SSS S SSS S S SS SSS SS SS SS bends
turns TTTT TTTT TTTTTT TTTT turns
5-turns >5555< 5-turns
3-turns 33< >33< >33< 3-turns
bridge-2 KK LLLLLLLLL NN PPPPP*PPPPPP PPPPPP****PPPPP MMMMM bridge-2
bridge-1 G JJJJ ii MMMMM NN ooo LLLLLLLLL QQ JJJJ ooo R bridge-1
sheets DDDDD EEEEEEEEE DDDDD DD EEEEEEEEEEEE EEEEEEEEEEEEEEEEEEE FF DDDDD EEE G sheets
4-turns 444< >444< 4-turns
summary TTTBeEEEEE SSS EEEEEEEEEe SeEEEEEeTteEEeEEEEEEEEEEEETTTTEEEEEEEEEEEEEEEEEEE EEeEEEEEeSS tTeEEEeE summary
sequence EDILPSKHVVHNTLPHWREQLVDFYVSSPFVSVTDLANNPVEAQVSPVWSWHHDTLTKTIHPQGSTTKYRIIFKARVPPGLATYVLTISDSKPEHTSYAS sequence
510 520 530 540 550 560 570 580 590 600
author author
Kabs/Sand EEEE SS TT SS EEE EEEE TTS EEEE TTS EEEEESSSSS EEEEEEEEEE SSSS SS SSS EE S EEEE Kabs/Sand
chirality ---+-+-------++-+----+--+--------+-------+-+-+----+-++----+--+-+------+-+--+-++-+------------------- chirality
bends SS SS SS SSS SSS SSSSS SSSS SS SSS S bends
turns TTTT TTTT TTTT turns
5-turns 5-turns
3-turns >33< >33< >33< 3-turns
bridge-2 sss UUUU VV XX YYYY bridge-2
bridge-1 RRRR sss TTTT TTTT U*UUU VVWWW**WWW XX RRRR bridge-1
sheets GGGG GGG HHHH HHHH HHHHH HHHHHHHHHH HH GGGG sheets
4-turns 4-turns
summary EEEEeSS tTTtSS EEE EEEEeTTteEEEEeTTteEEEEESSSSS EEEEEEEEEE SSSS SS SSS EEe S eEEEE summary
sequence NLLLRKNPTSLPLGQYPEDVKFGDPREISLRVGNGPTLAFSEQGLLKSIQLTQDSPHVPVHFKFLKYGVRSHGDRSGAYLFLPNGPASPVELGQPVVLVT sequence
610 620 630 640 650 660 670 680 690 700
author author
Kabs/Sand E SS EEEEEETTEEEEEE SS EEEEEE TT TTEEEEEEEE TTEEEEEETTTEEEEEE TTS GGGG EEES EE SSEEEEEEESS Kabs/Sand
chirality +-+++-----+--+---- +--------+---+-++-- -+-+-+--++-+----++--------++--++++---+- +--++-------+-+ chirality
bends SS SS SS S S S SSSS SSS SSSS S SS SS bends
turns TTTT TTTTTTT TTTT TTTTT TTTTTTTTTT turns
5-turns 5-turns
3-turns >33< >33X33< >33< >33< >33<>>><<< 3-turns
bridge-2 ZZZZZ AAAAAA BBBBBB CCC DD FF IIIIIII bridge-2
bridge-1 R YYYY ZZZZZ AAAAAA WWW*WWW EEEEEE EEEEEE GGG HH HH bridge-1
sheets G GGGGGG GGGGGG GGGGGG HHHHHHHH IIIIII IIIIII JJJ GG GGGGGGG sheets
4-turns >444< >444< 4-turns
summary E SS EEEEEETeEEEEEE SSeEEEEEEetTTtTTEEEEEEEEe tTeEEEEEETTTEEEEEEetTTtgGGGGgEEES EEeSeEEEEEEEeS summary
sequence KGKLESSVSVGLPSVVHQTIRGGAPEIRNLVDIGSLDNTEIVRLETHIDSGDIFYTDLNGLQFIKRRRLDKLPLQANYYPIPSGFIEDANTRLTLLTGQP sequence
710 720 730 740 750 760 770 780 790 800
author author
Kabs/Sand EEEB STTEEB EEEBSS SSS S B EEEEEEEEEEE TTS TT SEE HHHHHHHHHHHS EEEE SS TTB SEE TTS Kabs/Sand
chirality -++-++-++-+ ----+---+-+-+--+++------+----+-++++-----++-+-----++++++++++++-------+-+--++--+-++++--- chirality
bends SSS SS SSS S SSS SS S SSSSSSSSSSSS SS SS S S SSS bends
turns TTTT TTTT TTTT TTTTTTTTTTTTT TTTT TTTT turns
5-turns 5-turns
3-turns >33< >33< >33< >33< >33< >33< 3-turns
bridge-2 IIIIIII KK bridge-2
bridge-1 GGGH DDH CCCI I BBBBBB FF HHHH F QQ bridge-1
sheets JJJ HH HHH GGGGGGGGGGG II DDDD FF sheets
4-turns >>>>XXXXX<<<< 4-turns
summary EEEB tTeEEB EEEBSS SSS S B EEEEEEEEEEEeTTt tTTteEE hHHHHHHHHHHHh EEEEeSS tTTB eEEtTTt summary
sequence LGGSSLASGELEIQDRRLASDDERGLGQGVLDNKPVLHIYRLVLEKVNNCVRPSKLHPAGYLTSAAHKASQSLLDPLDKFIFAENEWIGAQGQFGGDHPS sequence
810 820 830 840 850 860 870 880 890 900
author author
Kabs/Sand TTEEEEEEE S TT SSEEEEEEEEE S GGGSSSSEEEEEEE TTS SEEEE EEEEEEEE Kabs/Sand
chirality --+++-- -+--++-+----------- -+--+++---+-++++-+-+----+--+-++-++--- ---- +------ chirality
bends SS S SS SS S SSSSSSS SSS S bends
turns TTTT TTTT TTTTT TTTT turns
5-turns 5-turns
3-turns >33< >33< >>3<< >33< 3-turns
bridge-2 KKKKKKKK MMM LLLLLL bridge-2
bridge-1 JJJ*J*J J**JJJJ L*LLLLL M*MM KKKKKKKK bridge-1
sheets KKKKKKK KKKKKKKKK KKKKKKK KKKK KKKKKKKK sheets
4-turns 4-turns
summary tTeEEEEEEEeStTTtSSEEEEEEEEEe S gGGGgSSeEEEEEEEeTTt eEEEEe eEEEEEEEEe summary
sequence AREDLDVSVRRLTKSSAKTQRVGYVLHRTNLQCGTPEEHTQKLDVCHLLPNVARCERTTLTFLQNLEHLDGVAPEVCPETAAYVSSHS sequence
910 920 930 940 950 960 970 980
Messages
chain break between 14(A 44 ) and 15(A 46 )
chain break between 20(A 51 ) and 21(A 53 )
chain break between 91(A 123 ) and 92(A 125 )
chain break between 115(A 148 ) and 116(A 150 )
chain break between 132(A 166 ) and 133(A 168 )
chain break between 157(A 192 ) and 158(A 194 )
chain break between 175(A 211 ) and 176(A 213 )
chain break between 225(A 262 ) and 226(A 265 )
chain break between 250(A 289 ) and 251(A 291 )
chain break between 387(A 427 ) and 388(A 429 )
chain break between 391(A 432 ) and 392(A 434 )
chain break between 398(A 440 ) and 399(A 442 )
chain break between 446(A 489 ) and 447(A 491 )
chain break between 454(A 498 ) and 455(A 500 )
chain break between 455(A 500 ) and 456(A 502 )
chain break between 510(A 556 ) and 511(A 558 )
chain break between 579(A 626 ) and 580(A 628 )
chain break between 720(A 768 ) and 721(A 770 )
chain break between 742(A 791 ) and 743(A 793 )
chain break between 784(A 834 ) and 785(A 836 )
chain break between 813(A 864 ) and 814(A 866 )
chain break between 909(A 961 ) and 910(A 963 )
chain break between 931(A 984 ) and 932(A 986 )
chain break between 971(A1025 ) and 972(A1027 )
chain break between 978(A1033 ) and 979(A1035 )
there are 38 strands. Labels have restarted