Secondary structure calculation program - copyright by David Keith Smith, 1989
1ddzA.pdb
1DDZ LYASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 481
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 84 VAL V 0 0 999.9 66.2 -179.3 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 3 13
2 A 85 MET M - 0 0 -97.4 154.9 178.5 -115.7 999.9 131.4 0 0.0 0 0.0 0 0.0 0 0.0 7 18
3 A 86 SER S h > T - 0 0 -83.0 169.7 178.1 -103.2 31.7 115.4 0 0.0 7 -2.3 0 0.0 0 0.0 10 24
4 A 87 ASP D H H > TS+ 0 0 -60.4 -36.6 178.6 55.1 123.9 31.1 0 0.0 8 -2.8 0 0.0 0 0.0 10 27
5 A 88 LEU L H H > TS+ 0 0 -61.0 -49.1 179.4 49.5 107.9 18.4 477 -2.2 9 -2.4 0 0.0 0 0.0 13 41
6 A 89 GLU E H H > TS+ 0 0 -55.3 -45.3 179.9 47.2 112.1 24.2 0 0.0 10 -2.0 0 0.0 0 0.0 9 35
7 A 90 LYS K H H X TS+ 0 0 -63.3 -48.2 178.5 55.2 109.3 18.6 3 -2.3 11 -2.2 0 0.0 0 0.0 9 31
8 A 91 LYS K H H X TS+ 0 0 -51.8 -45.7 -179.1 47.1 108.8 25.0 4 -2.8 12 -2.1 0 0.0 0 0.0 10 39
9 A 92 PHE F H H X TS+ 0 0 -71.1 -30.1 177.2 56.3 106.0 26.1 5 -2.4 13 -2.8 0 0.0 0 0.0 10 42
10 A 93 ILE I H H X TS+ 0 0 -62.6 -40.0 178.4 48.4 110.4 21.2 6 -2.0 14 -1.9 0 0.0 0 0.0 8 35
11 A 94 GLU E H H X TS+ 0 0 -64.8 -43.0 179.2 48.7 111.4 25.5 7 -2.2 15 -1.9 0 0.0 0 0.0 8 31
12 A 95 LEU L H H X TS+ 0 0 -67.4 -35.9 179.3 54.4 108.2 30.2 8 -2.1 16 -2.2 0 0.0 0 0.0 11 44
13 A 96 GLU E H H X TS+ 0 0 -64.7 -41.7 178.7 50.3 107.3 21.6 9 -2.8 17 -3.0 0 0.0 0 0.0 10 45
14 A 97 ALA A H H X TS+ 0 0 -61.0 -43.7 179.3 51.4 109.7 21.0 10 -1.9 18 -1.3 0 0.0 0 0.0 8 29
15 A 98 LYS K H H < TS+ 0 0 -61.8 -39.5 -179.6 43.6 114.2 24.2 11 -1.9 0 0.0 0 0.0 0 0.0 8 35
16 A 99 LEU L H H < > TS+ 0 0 -69.5 -50.7 -178.8 53.0 110.9 17.2 12 -2.2 19 -2.0 0 0.0 0 0.0 10 48
17 A 100 VAL V H H < 3 TS+ 0 0 -60.5 -18.8 178.5 66.8 97.8 48.5 13 -3.0 0 0.0 0 0.0 0 0.0 8 41
18 A 101 ALA A T h < 3 TS+ 0 0 -80.1 -10.6 179.4 65.1 96.0 56.4 14 -1.3 0 0.0 0 0.0 0 0.0 6 27
19 A 102 GLN Q S t < TS- 0 0 -110.2 143.8 -179.6 -107.7 95.5 153.7 16 -2.0 0 0.0 0 0.0 0 0.0 8 34
20 A 103 PRO P t > T - 0 0 -74.5 154.8 179.4 -77.7 48.2 113.9 0 0.0 23 -2.9 0 0.0 0 0.0 7 38
21 A 104 ALA A T T 3 TS+ 0 0 -47.7 123.2 178.0 8.3 118.5 97.9 0 0.0 0 0.0 0 0.0 0 0.0 10 48
22 A 105 GLY G T T 3 TS+ 0 0 82.9 -1.1 -179.4 86.6 111.4 65.9 0 0.0 0 0.0 0 0.0 0 0.0 10 47
23 A 106 GLN Q t < T + 0 0 -114.6 8.4 178.5 136.6 47.6 71.3 20 -2.9 0 0.0 0 0.0 0 0.0 7 40
24 A 107 ALA A - 0 0 -52.1 142.2 -179.4 -123.2 53.5 104.5 0 0.0 0 0.0 0 0.0 0 0.0 11 44
25 A 108 MET M - 0 0 -90.8 159.4 178.5 -93.1 26.0 116.1 0 0.0 469 -2.2 0 0.0 0 0.0 6 39
26 A 109 PRO P - 0 0 -62.8 155.8 -178.4 -137.7 50.3 114.0 0 0.0 0 0.0 0 0.0 0 0.0 9 43
27 A 110 GLY G - 0 0 -99.1 -147.6 -177.6 -78.8 22.1 85.1 0 0.0 0 0.0 0 0.0 0 0.0 7 35
28 A 111 LYS K S S S+ 0 0 -87.4 -47.8 -179.0 99.2 83.7 28.4 0 0.0 0 0.0 0 0.0 0 0.0 5 29
29 A 112 SER S S h > > TS- 0 0 -42.3 156.2 179.0 -114.9 81.2 83.1 0 0.0 32 -1.0 0 0.0 33 -1.0 6 36
30 A 113 ASN N H H > 3 TS+ 0 0 -71.5 -12.8 178.2 76.8 109.7 45.5 0 0.0 34 -2.8 0 0.0 0 0.0 6 35
31 A 114 ILE I H H > 3 TS+ 0 0 -65.9 -31.7 179.1 49.2 94.0 31.1 0 0.0 35 -2.6 0 0.0 0 0.0 7 49
32 A 115 PHE F H H > < TS+ 0 0 -72.5 -39.8 177.7 48.5 111.7 21.6 29 -1.0 36 -2.3 0 0.0 0 0.0 13 41
33 A 116 ALA A H H X TS+ 0 0 -63.7 -40.5 -179.5 46.1 114.6 25.7 29 -1.0 37 -2.5 0 0.0 0 0.0 8 28
34 A 117 ASN N H H X TS+ 0 0 -70.3 -41.2 177.4 52.1 110.6 25.5 30 -2.8 38 -2.2 0 0.0 0 0.0 10 34
35 A 118 ASN N H H X TS+ 0 0 -60.6 -39.0 -179.6 48.7 111.3 27.6 31 -2.6 39 -2.3 0 0.0 0 0.0 14 44
36 A 119 GLU E H H X TS+ 0 0 -67.2 -48.9 178.0 52.6 107.5 19.5 32 -2.3 40 -2.8 0 0.0 0 0.0 9 40
37 A 120 ALA A H H X TS+ 0 0 -51.5 -43.1 179.5 50.1 111.2 23.1 33 -2.5 41 -2.8 0 0.0 0 0.0 9 28
38 A 121 TRP W H H X TS+ 0 0 -61.5 -50.8 179.6 49.9 108.7 21.1 34 -2.2 42 -2.8 0 0.0 0 0.0 12 37
39 A 122 ARG R H H X TS+ 0 0 -55.5 -44.8 -179.8 48.8 112.7 24.6 35 -2.3 43 -2.8 0 0.0 0 0.0 11 42
40 A 123 GLN Q H H X TS+ 0 0 -61.5 -52.0 179.4 46.9 111.6 16.1 36 -2.8 44 -2.7 0 0.0 0 0.0 8 28
41 A 124 GLU E H H X TS+ 0 0 -58.0 -39.5 179.4 49.8 114.0 26.8 37 -2.8 45 -1.7 0 0.0 0 0.0 8 25
42 A 125 MET M H H X TS+ 0 0 -65.2 -48.0 179.1 45.4 112.4 20.7 38 -2.8 46 -2.6 0 0.0 0 0.0 10 33
43 A 126 LEU L H H < TS+ 0 0 -63.1 -36.7 179.4 54.0 111.5 28.0 39 -2.8 0 0.0 0 0.0 0 0.0 11 27
44 A 127 LYS K H H < TS+ 0 0 -66.0 -36.7 179.8 40.8 114.0 33.4 40 -2.7 0 0.0 0 0.0 0 0.0 7 16
45 A 128 GLN Q H H < TS+ 0 0 -79.2 -37.2 -178.7 4.3 139.9 34.4 41 -1.7 0 0.0 0 0.0 0 0.0 6 15
46 A 129 ASP D h < > T - 0 0 -154.9 104.9 180.0 -162.0 58.3 140.4 42 -2.6 49 -2.3 0 0.0 0 0.0 7 19
47 A 130 PRO P T T 3 TS+ 0 0 -61.9 -15.0 179.3 57.4 96.2 50.9 0 0.0 0 0.0 0 0.0 0 0.0 8 19
48 A 131 GLU E T h > 3 TS+ 0 0 -96.9 6.6 -177.8 111.4 75.5 69.9 0 0.0 52 -2.5 0 0.0 0 0.0 7 22
49 A 132 PHE F H H > < TS+ 0 0 -46.2 -56.7 -178.9 33.0 82.9 28.0 46 -2.3 53 -2.1 0 0.0 0 0.0 9 32
50 A 133 PHE F H H > TS+ 0 0 -75.4 -30.5 178.8 59.9 113.9 29.3 0 0.0 54 -3.6 0 0.0 0 0.0 12 38
51 A 134 ASN N H H > TS+ 0 0 -62.3 -40.0 179.4 41.8 111.2 25.7 0 0.0 55 -0.6 0 0.0 0 0.0 9 28
52 A 135 ARG R H H < > TS+ 0 0 -71.2 -46.8 179.5 50.6 115.3 17.0 48 -2.5 55 -1.1 0 0.0 0 0.0 8 28
53 A 136 LEU L H H < > TS+ 0 0 -54.2 -52.6 -179.3 49.4 110.1 20.0 49 -2.1 56 -1.3 0 0.0 0 0.0 12 40
54 A 137 ALA A H H < 3 TS+ 0 0 -64.0 -16.1 -178.4 44.3 116.5 46.8 50 -3.6 0 0.0 0 0.0 0 0.0 8 38
55 A 138 ASN N T h < < TS+ 0 0 -124.1 40.9 -179.4 137.7 81.6 98.6 52 -1.1 0 0.0 51 -0.6 0 0.0 6 27
56 A 139 GLY G t < T - 0 0 -76.3 178.9 -179.7 -94.3 56.9 99.7 53 -1.3 0 0.0 0 0.0 0 0.0 9 31
57 A 140 GLN Q - 0 0 -92.7 155.8 177.5 -90.0 46.7 124.4 0 0.0 0 0.0 0 0.0 0 0.0 6 30
58 A 141 SER S - 0 0 -65.8 146.7 -179.5 -95.7 52.0 112.1 0 0.0 0 0.0 0 0.0 0 0.0 7 40
59 A 142 PRO P - 0 0 -63.9 136.1 176.6 -174.2 30.2 107.7 0 0.0 0 0.0 0 0.0 0 0.0 11 47
60 A 143 GLU E S e S+ 0 0 -103.3 -8.7 178.9 67.5 70.3 63.5 83 -1.0 116 -2.3 0 0.0 115 -1.4 12 47
61 A 144 TYR Y E E Aab - 116 84 -118.0 139.9 173.5 -160.4 59.7 159.4 83 -0.9 85 -2.9 0 0.0 0 0.0 12 61
62 A 145 LEU L E E Aab - 117 85 -109.5 129.0 179.5 -165.6 19.4 163.9 116 -2.0 118 -3.2 0 0.0 0 0.0 15 72
63 A 146 TRP W E E Aab - 118 86 -125.0 119.4 178.6 -165.5 10.6 168.7 85 -3.0 87 -2.8 0 0.0 65 -0.7 13 82
64 A 147 ILE I E E Aab + 119 87 -104.6 109.7 -177.6 156.9 29.9 158.5 118 -2.8 120 -2.6 0 0.0 0 0.0 14 78
65 A 148 GLY G E E A b - 0 88 -124.5 -173.0 -178.3 -84.0 40.2 127.4 87 -3.1 89 -1.7 63 -0.7 0 0.0 15 76
66 A 149 CYS C E E A b> T - 0 89 -99.7 148.4 179.0 -127.8 26.7 136.4 0 0.0 69 -0.5 0 0.0 0 0.0 14 77
67 A 150 ALA A T e 3 TS+ 0 0 -64.7 -27.1 178.9 60.2 104.0 47.0 89 -2.3 340 -2.0 0 0.0 0 0.0 13 75
68 A 151 ASP D T T 3 TS+ 0 0 -98.5 57.0 -179.0 142.2 77.5 111.7 0 0.0 70 -0.5 0 0.0 0 0.0 11 70
69 A 152 SER S t < T - 0 0 -110.0 125.6 -176.0 -162.1 42.0 146.3 66 -0.5 0 0.0 0 0.0 0 0.0 11 73
70 A 153 ARG R S S S+ 0 0 -81.3 7.0 177.8 60.2 75.1 71.8 68 -0.5 0 0.0 0 0.0 0 0.0 10 61
71 A 154 VAL V S S S- 0 0 -142.4 121.8 179.2 -124.7 79.9 162.0 0 0.0 0 0.0 0 0.0 0 0.0 10 68
72 A 155 PRO P h > T - 0 0 -60.3 139.2 -178.9 -126.1 25.0 111.3 0 0.0 76 -2.1 0 0.0 0 0.0 9 72
73 A 156 ALA A H H > TS+ 0 0 -52.7 -47.6 -178.9 52.5 108.5 29.6 0 0.0 77 -1.6 0 0.0 0 0.0 9 69
74 A 157 ASN N H H 4 >TS+ 0 0 -61.6 -32.3 180.0 53.8 108.5 29.9 0 0.0 79 -3.5 0 0.0 0 0.0 12 60
75 A 158 GLN Q H H 4 >5TS+ 0 0 -66.6 -53.7 179.5 48.8 106.4 17.1 0 0.0 78 -2.0 0 0.0 0 0.0 11 56
76 A 159 LEU L H H < 35TS+ 0 0 -57.1 -32.4 179.9 46.6 115.2 35.6 72 -2.1 0 0.0 0 0.0 0 0.0 13 63
77 A 160 LEU L T h < 35TS- 0 0 -90.2 2.6 -178.2 -121.9 111.5 64.3 73 -1.6 0 0.0 0 0.0 0 0.0 11 58
78 A 161 ASP D T T <5T + 0 0 56.4 44.7 -179.6 135.4 68.6 23.1 75 -2.0 0 0.0 0 0.0 0 0.0 10 36
79 A 162 LEU L t T - 0 0 -63.3 150.0 178.5 -89.8 54.5 106.6 0 0.0 83 -2.0 0 0.0 0 0.0 8 43
81 A 164 ALA A T T 3 TS+ 0 0 -56.5 149.4 -179.8 29.5 116.8 103.7 0 0.0 0 0.0 0 0.0 0 0.0 12 48
82 A 165 GLY G T T 3 TS+ 0 0 80.2 -13.2 178.0 98.9 91.8 69.3 323 -1.0 0 0.0 0 0.0 0 0.0 15 55
83 A 166 GLU E S e < TS+ 0 0 -83.4 -3.0 177.7 58.2 80.1 53.5 80 -2.0 60 -1.0 0 0.0 61 -0.9 14 46
84 A 167 VAL V E E Ab S- 61 0 -127.7 124.1 178.3 -141.7 78.9 171.4 0 0.0 86 -0.6 0 0.0 0 0.0 14 56
85 A 168 PHE F E E Ab - 62 0 -83.2 118.4 -174.6 -153.8 31.6 140.1 61 -2.9 63 -3.0 0 0.0 0 0.0 14 67
86 A 169 VAL V E E Ab + 63 0 -111.1 136.4 175.9 178.5 25.8 143.7 321 -1.7 0 0.0 84 -0.6 0 0.0 14 74
87 A 170 HIS H E E Ab - 64 0 -125.1 133.0 178.8 -175.0 14.4 168.5 63 -2.8 65 -3.1 0 0.0 0 0.0 14 75
88 A 171 ARG R E E AbA + 65 342 -135.6 134.7 179.2 144.5 14.4 176.2 342 -1.3 342 -1.2 0 0.0 0 0.0 13 77
89 A 172 ASN N E E Ab > T - 66 0 -150.1 -179.1 -179.9 -53.2 59.2 147.1 65 -1.7 67 -2.3 0 0.0 92 -1.2 16 74
90 A 173 ILE I G G > TS- 0 0 -69.4 118.4 178.7 -10.3 121.2 124.4 0 0.0 93 -0.6 0 0.0 0 0.0 12 71
91 A 174 ALA A G G 3 TS- 0 0 63.5 32.5 177.5 -84.3 110.1 38.6 0 0.0 0 0.0 0 0.0 0 0.0 12 75
92 A 175 ASN N G G < T - 0 0 40.4 51.1 -178.6 -174.9 69.8 35.4 89 -1.2 0 0.0 0 0.0 0 0.0 15 80
93 A 176 GLN Q g < T - 0 0 -80.6 146.8 177.6 -168.1 29.6 116.1 90 -0.6 0 0.0 0 0.0 0 0.0 10 76
94 A 177 CYS C - 0 0 -129.8 65.6 -179.7 -174.2 20.6 126.6 0 0.0 0 0.0 0 0.0 0 0.0 10 67
95 A 178 ILE I t > T - 0 0 -66.9 131.2 -178.3 -125.6 29.2 115.7 0 0.0 98 -1.8 0 0.0 0 0.0 9 51
96 A 179 HIS H T T 3 TS+ 0 0 -44.1 -50.2 -176.6 30.8 106.4 32.6 0 0.0 0 0.0 0 0.0 0 0.0 7 39
97 A 180 SER S T T 3 TS+ 0 0 -102.4 18.1 178.5 123.7 83.8 76.0 0 0.0 99 -0.8 0 0.0 0 0.0 5 33
98 A 181 ASP D h > < T - 0 0 -81.3 110.7 -179.4 -165.5 42.8 131.3 95 -1.8 102 -2.8 0 0.0 0 0.0 9 49
99 A 182 ILE I H H > TS+ 0 0 -69.6 -26.2 178.8 60.8 85.8 41.2 97 -0.8 103 -2.5 0 0.0 0 0.0 8 52
100 A 183 SER S H H > TS+ 0 0 -67.2 -36.6 178.9 37.9 113.7 25.4 0 0.0 104 -1.1 0 0.0 0 0.0 11 64
101 A 184 PHE F H H > TS+ 0 0 -75.2 -49.9 -179.6 50.0 117.4 19.5 0 0.0 105 -2.4 0 0.0 0 0.0 11 71
102 A 185 LEU L H H X TS+ 0 0 -58.7 -40.7 178.9 50.5 109.5 32.1 98 -2.8 106 -2.6 0 0.0 0 0.0 13 62
103 A 186 SER S H H X TS+ 0 0 -69.3 -35.6 176.3 47.6 111.4 27.3 99 -2.5 107 -2.1 0 0.0 0 0.0 13 68
104 A 187 VAL V H H X TS+ 0 0 -68.3 -42.6 177.5 48.9 114.2 22.2 100 -1.1 108 -2.8 0 0.0 0 0.0 13 73
105 A 188 LEU L H H X TS+ 0 0 -58.6 -53.8 -179.2 45.3 113.0 19.7 101 -2.4 109 -2.9 0 0.0 0 0.0 10 75
106 A 189 GLN Q H H X >TS+ 0 0 -61.5 -39.7 178.7 50.1 113.5 26.6 102 -2.6 110 -3.2 0 0.0 111 -0.9 13 64
107 A 190 TYR Y H H X >TS+ 0 0 -63.0 -50.4 179.5 46.1 113.5 14.0 103 -2.1 112 -2.6 0 0.0 111 -1.2 10 66
108 A 191 ALA A H H < 5TS+ 0 0 -57.6 -44.8 -178.6 36.8 122.1 25.1 104 -2.8 114 -2.8 0 0.0 0 0.0 12 64
109 A 192 VAL V H H < 5TS+ 0 0 -77.7 -49.3 -179.3 24.5 130.6 21.9 105 -2.9 0 0.0 0 0.0 0 0.0 13 59
110 A 193 GLN Q H H < 5TS+ 0 0 -86.3 -45.0 -179.8 32.6 132.5 28.6 106 -3.2 0 0.0 0 0.0 0 0.0 8 48
111 A 194 TYR Y T h < T - 0 206 -144.8 141.7 -179.9 -105.8 21.1 177.6 0 0.0 125 -1.4 0 0.0 0 0.0 12 65
123 A 206 TYR Y T e 3 TS+ 0 0 -63.7 146.0 -178.6 28.9 105.9 108.1 206 -2.1 0 0.0 0 0.0 0 0.0 12 58
124 A 207 GLY G T T 3 TS+ 0 0 79.7 6.1 179.5 178.8 82.2 60.4 0 0.0 0 0.0 0 0.0 0 0.0 9 53
125 A 208 CYS C h > < T - 0 0 -46.1 116.1 178.4 -148.0 25.5 99.4 122 -1.4 129 -2.5 0 0.0 0 0.0 11 59
126 A 209 GLY G H H > TS+ 0 0 -57.6 -33.0 179.1 54.6 96.9 36.3 0 0.0 130 -2.3 0 0.0 0 0.0 8 57
127 A 210 GLY G H H > TS+ 0 0 -67.6 -46.4 179.8 42.5 111.2 19.0 0 0.0 131 -1.6 0 0.0 0 0.0 9 65
128 A 211 ALA A H H > TS+ 0 0 -65.4 -38.5 -179.6 52.2 115.2 26.5 0 0.0 132 -0.7 0 0.0 0 0.0 14 62
129 A 212 LYS K H H X > TS+ 0 0 -65.0 -43.3 179.4 51.7 106.4 24.9 125 -2.5 133 -2.9 0 0.0 132 -1.0 11 48
130 A 213 ALA A H H X 3 TS+ 0 0 -62.7 -36.6 -179.9 61.9 102.2 29.1 126 -2.3 134 -1.7 0 0.0 0 0.0 10 50
131 A 214 ALA A H H < 3 TS+ 0 0 -60.5 -29.5 -179.2 31.6 115.4 41.2 127 -1.6 0 0.0 0 0.0 0 0.0 13 45
132 A 215 LEU L H H < < TS+ 0 0 -97.3 -41.3 -175.9 32.1 128.8 36.0 129 -1.0 0 0.0 128 -0.7 0 0.0 7 43
133 A 216 GLY G H H < TS+ 0 0 -108.1 13.1 -179.2 54.5 108.1 70.2 129 -2.9 0 0.0 0 0.0 0 0.0 6 28
134 A 217 ASP D h < T - 0 0 -143.7 146.1 179.1 -178.3 54.1 173.8 130 -1.7 0 0.0 0 0.0 0 0.0 8 26
135 A 218 SER S + 0 0 -135.7 176.3 179.8 45.0 58.8 142.5 0 0.0 0 0.0 0 0.0 0 0.0 7 23
136 A 219 ARG R + 0 0 57.0 39.3 -178.8 147.0 64.8 26.5 0 0.0 0 0.0 0 0.0 0 0.0 5 19
137 A 220 LEU L t > T - 0 0 -84.8 -4.6 -179.9 -148.3 42.0 59.1 0 0.0 140 -0.6 0 0.0 0 0.0 7 33
138 A 221 GLY G T h > > T + 0 0 79.2 -142.3 -179.9 9.6 66.3 120.0 0 0.0 141 -1.9 0 0.0 142 -0.7 6 28
139 A 222 LEU L H H > > TS+ 0 0 -38.4 -58.5 -178.1 52.0 129.1 31.7 0 0.0 142 -1.5 0 0.0 143 -0.6 9 37
140 A 223 ILE I H H > < TS+ 0 0 -59.8 -22.1 179.8 71.5 93.6 44.5 137 -0.6 144 -2.6 0 0.0 0 0.0 12 47
141 A 224 ASP D H H > < TS+ 0 0 -65.5 -25.8 179.0 57.5 93.7 33.9 138 -1.9 145 -0.8 0 0.0 0 0.0 11 39
142 A 225 ASN N H H < < TS+ 0 0 -71.5 -31.9 177.4 46.2 107.8 31.8 139 -1.5 0 0.0 138 -0.7 0 0.0 8 39
143 A 226 TRP W H H < > TS+ 0 0 -71.4 -48.8 -179.2 53.4 111.1 17.3 139 -0.6 146 -1.8 0 0.0 0 0.0 10 52
144 A 227 LEU L H H X > TS+ 0 0 -63.0 -14.4 177.2 82.2 85.9 53.5 140 -2.6 148 -1.3 0 0.0 147 -0.6 12 50
145 A 228 ARG R H H X 3 TS+ 0 0 -61.6 -25.6 180.0 62.1 85.1 39.0 141 -0.8 149 -1.3 0 0.0 0 0.0 9 41
146 A 229 HIS H H H > < TS+ 0 0 -69.2 -34.7 177.7 49.6 100.7 29.7 143 -1.8 150 -1.2 0 0.0 0 0.0 9 45
147 A 230 ILE I H H > < TS+ 0 0 -69.1 -32.8 178.5 57.5 107.0 32.1 144 -0.6 151 -1.9 0 0.0 0 0.0 10 54
148 A 231 ARG R H H X TS+ 0 0 -65.6 -33.2 177.1 56.3 100.7 33.6 144 -1.3 152 -2.6 0 0.0 0 0.0 10 46
149 A 232 ASP D H H X TS+ 0 0 -67.0 -35.0 178.0 53.2 104.6 27.6 145 -1.3 153 -3.0 0 0.0 0 0.0 8 38
150 A 233 VAL V H H X TS+ 0 0 -64.6 -43.4 179.4 45.7 110.4 21.8 146 -1.2 154 -1.4 0 0.0 0 0.0 12 49
151 A 234 ARG R H H < TS+ 0 0 -64.8 -40.1 179.6 49.7 115.0 21.3 147 -1.9 0 0.0 0 0.0 0 0.0 10 42
152 A 235 ARG R H H < > TS+ 0 0 -62.3 -53.5 179.7 45.2 111.8 19.1 148 -2.6 155 -1.3 0 0.0 0 0.0 7 27
153 A 236 MET M H H < 3 TS+ 0 0 -63.7 -24.2 -177.5 40.8 121.3 43.6 149 -3.0 0 0.0 0 0.0 0 0.0 6 31
154 A 237 ASN N T h X > T + 0 0 -118.1 31.7 179.4 127.4 69.4 91.6 150 -1.4 158 -2.2 0 0.0 157 -0.8 9 38
155 A 238 ALA A H H > < TS+ 0 0 -52.6 -43.5 179.8 60.9 71.8 26.2 152 -1.3 159 -3.2 0 0.0 0 0.0 8 29
156 A 239 LYS K H H 4 3 TS+ 0 0 -54.2 -38.6 179.0 40.2 109.8 32.9 0 0.0 0 0.0 0 0.0 0 0.0 6 26
157 A 240 TYR Y H H > < TS+ 0 0 -80.2 -35.5 -177.5 48.3 118.1 28.7 154 -0.8 161 -0.6 0 0.0 0 0.0 9 41
158 A 241 LEU L H H < > TS+ 0 0 -74.3 -43.7 178.5 52.8 105.5 23.3 154 -2.2 161 -1.3 0 0.0 0 0.0 11 40
159 A 242 ASP D T h < 3 TS+ 0 0 -62.8 -22.5 179.1 65.6 101.6 43.0 155 -3.2 0 0.0 0 0.0 0 0.0 7 26
160 A 243 LYS K T T 4 3 TS+ 0 0 -66.8 -33.0 -178.2 109.2 80.8 33.4 0 0.0 0 0.0 0 0.0 0 0.0 6 27
161 A 244 CYS C t < < T - 0 0 -54.1 132.5 -177.1 -143.6 65.3 99.7 158 -1.3 0 0.0 157 -0.6 0 0.0 10 29
162 A 245 LYS K S S S- 0 0 -69.8 -29.9 -179.2 -1.2 71.2 44.0 0 0.0 0 0.0 0 0.0 0 0.0 6 21
163 A 246 ASP D S h > TS- 0 0 -155.6 173.0 -178.9 -86.3 79.3 165.7 0 0.0 167 -2.8 0 0.0 0 0.0 6 21
164 A 247 GLY G H H > TS+ 0 0 -51.6 -44.7 -179.0 47.1 122.4 32.1 0 0.0 168 -1.9 0 0.0 0 0.0 7 30
165 A 248 ASP D H H > TS+ 0 0 -68.5 -44.0 179.1 48.1 112.5 22.2 0 0.0 169 -2.8 0 0.0 0 0.0 6 32
166 A 249 GLU E H H > TS+ 0 0 -64.0 -35.1 -178.8 50.5 113.3 24.3 0 0.0 170 -2.6 0 0.0 0 0.0 11 38
167 A 250 GLU E H H X TS+ 0 0 -72.8 -33.2 178.3 47.1 110.4 32.1 163 -2.8 171 -1.9 0 0.0 0 0.0 13 44
168 A 251 LEU L H H X TS+ 0 0 -70.9 -45.8 179.5 52.3 112.0 18.1 164 -1.9 172 -2.8 0 0.0 0 0.0 12 50
169 A 252 ASN N H H X TS+ 0 0 -53.3 -51.3 -179.6 45.0 112.1 21.8 165 -2.8 173 -2.2 0 0.0 0 0.0 12 60
170 A 253 ARG R H H X TS+ 0 0 -64.4 -37.9 177.9 51.7 111.4 29.6 166 -2.6 174 -2.6 0 0.0 0 0.0 13 62
171 A 254 LEU L H H X TS+ 0 0 -62.5 -44.6 -179.8 50.8 110.1 22.0 167 -1.9 175 -2.9 0 0.0 0 0.0 12 67
172 A 255 ILE I H H X TS+ 0 0 -59.5 -43.7 178.6 45.7 112.7 20.0 168 -2.8 176 -2.3 0 0.0 0 0.0 13 73
173 A 256 GLU E H H X TS+ 0 0 -67.0 -42.1 178.9 46.1 115.0 25.9 169 -2.2 177 -2.1 0 0.0 0 0.0 13 72
174 A 257 LEU L H H X TS+ 0 0 -69.0 -34.6 178.4 57.2 109.1 30.9 170 -2.6 178 -2.4 0 0.0 0 0.0 11 73
175 A 258 ASN N H H X TS+ 0 0 -60.3 -50.3 178.9 47.5 107.2 12.8 171 -2.9 179 -2.6 0 0.0 0 0.0 11 74
176 A 259 VAL V H H X TS+ 0 0 -55.6 -47.3 -179.3 50.3 112.3 19.7 172 -2.3 180 -2.7 0 0.0 0 0.0 16 70
177 A 260 LEU L H H X TS+ 0 0 -60.0 -40.2 178.3 49.5 110.2 30.2 173 -2.1 181 -2.0 0 0.0 0 0.0 14 68
178 A 261 GLU E H H X TS+ 0 0 -66.5 -40.3 178.5 49.8 110.5 24.4 174 -2.4 182 -2.1 0 0.0 0 0.0 9 65
179 A 262 GLN Q H H X TS+ 0 0 -65.6 -40.0 177.3 54.0 107.9 21.2 175 -2.6 183 -2.8 0 0.0 0 0.0 13 72
180 A 263 VAL V H H X TS+ 0 0 -58.3 -43.3 177.7 51.4 107.8 21.0 176 -2.7 184 -2.3 0 0.0 0 0.0 13 68
181 A 264 HIS H H H X TS+ 0 0 -56.9 -47.2 -179.2 49.2 110.0 22.5 177 -2.0 185 -1.7 0 0.0 0 0.0 10 66
182 A 265 ASN N H H X TS+ 0 0 -61.7 -40.7 178.7 52.8 108.2 26.5 178 -2.1 186 -0.9 0 0.0 0 0.0 11 60
183 A 266 VAL V H H < > TS+ 0 0 -61.1 -46.5 -179.6 46.3 111.5 16.8 179 -2.8 186 -1.1 0 0.0 0 0.0 10 69
184 A 267 CYS C H H < 3 TS+ 0 0 -63.9 -31.4 -178.9 54.7 110.6 38.9 180 -2.3 0 0.0 0 0.0 0 0.0 13 63
185 A 268 ALA A H H < 3 TS+ 0 0 -80.5 -12.8 179.5 110.9 82.7 55.2 181 -1.7 0 0.0 0 0.0 0 0.0 10 51
186 A 269 THR T S h X < TS- 0 0 -61.4 153.7 178.2 -120.2 79.5 104.1 183 -1.1 190 -2.6 182 -0.9 0 0.0 10 52
187 A 270 SER S H H > TS+ 0 0 -60.6 -34.4 -179.4 59.8 113.9 25.8 0 0.0 191 -3.3 0 0.0 0 0.0 6 45
188 A 271 ILE I H H > TS+ 0 0 -59.7 -54.9 179.3 36.2 110.3 19.9 0 0.0 192 -2.3 0 0.0 0 0.0 9 57
189 A 272 VAL V H H > TS+ 0 0 -71.8 -33.0 177.0 52.8 117.8 30.4 0 0.0 193 -2.4 0 0.0 0 0.0 12 59
190 A 273 GLN Q H H X TS+ 0 0 -66.9 -42.5 178.5 45.7 111.9 18.3 186 -2.6 194 -2.5 0 0.0 0 0.0 12 41
191 A 274 ASP D H H X TS+ 0 0 -63.6 -48.4 179.7 50.0 112.7 17.2 187 -3.3 195 -2.2 0 0.0 0 0.0 8 37
192 A 275 ALA A H H < >TS+ 0 0 -55.2 -48.4 -179.4 46.5 112.9 22.1 188 -2.3 197 -2.9 0 0.0 0 0.0 12 40
193 A 276 TRP W H H < >5TS+ 0 0 -64.7 -37.7 177.5 53.6 109.3 28.7 189 -2.4 196 -1.6 0 0.0 0 0.0 13 36
194 A 277 ASP D H H < 35TS+ 0 0 -63.6 -34.9 179.4 51.3 108.4 29.0 190 -2.5 0 0.0 0 0.0 0 0.0 8 26
195 A 278 ALA A T h < 35TS- 0 0 -83.8 9.3 179.4 -114.0 119.8 72.2 191 -2.2 0 0.0 0 0.0 0 0.0 6 21
196 A 279 GLY G T T <5T + 0 0 65.8 23.3 179.1 164.2 57.6 42.7 193 -1.6 0 0.0 0 0.0 0 0.0 6 23
197 A 280 GLN Q t > T - 0 0 -112.4 137.1 -178.4 -132.0 23.2 163.0 0 0.0 211 -2.3 0 0.0 210 -1.9 11 57
208 A 291 VAL V T T 4 3 TS+ 0 0 -62.1 -18.6 179.5 77.8 99.3 44.0 0 0.0 0 0.0 0 0.0 0 0.0 14 53
209 A 292 GLY G T T 4 3 TS+ 0 0 -65.9 -16.2 178.7 5.5 119.6 50.8 0 0.0 0 0.0 0 0.0 0 0.0 8 39
210 A 293 ASP D T T 4 < TS- 0 0 -140.8 -14.5 179.6 -134.7 86.1 65.0 207 -1.9 0 0.0 0 0.0 0 0.0 9 45
211 A 294 GLY G t < T + 0 0 61.8 24.0 -177.9 151.1 52.0 46.3 207 -2.3 213 -0.6 0 0.0 0 0.0 11 56
212 A 295 LYS K - 0 0 -95.6 121.8 -179.5 -135.2 42.6 137.2 0 0.0 0 0.0 0 0.0 0 0.0 12 54
213 A 296 LEU L - 0 0 -76.4 131.6 179.1 -159.2 18.2 124.1 211 -0.6 0 0.0 0 0.0 0 0.0 12 60
214 A 297 ARG R E E AD - 205 0 -109.6 146.8 -176.9 -111.6 21.6 150.6 205 -3.0 205 -1.3 0 0.0 0 0.0 12 55
215 A 298 ASP D E E AD + 204 0 -85.0 134.9 177.1 172.9 31.8 122.4 279 -2.5 0 0.0 0 0.0 0 0.0 11 63
216 A 299 LEU L E E A* - 0 0 -112.0 -6.5 179.9 -78.4 63.9 69.3 203 -2.3 0 0.0 0 0.0 0 0.0 13 62
217 A 300 GLY G E E AD - 203 0 122.1 151.9 179.7 -121.0 34.7 103.6 203 -0.6 203 -2.8 0 0.0 0 0.0 9 58
218 A 301 VAL V E E AD - 202 0 -125.9 136.2 175.1 -160.2 14.3 167.2 0 0.0 0 0.0 0 0.0 0 0.0 8 58
219 A 302 VAL V E E AD - 201 0 -119.7 130.7 -176.8 -177.4 7.3 169.5 201 -3.2 201 -2.7 0 0.0 0 0.0 10 53
220 A 303 VAL V S S S- 0 0 -92.7 -43.9 179.5 -19.8 70.9 33.1 0 0.0 0 0.0 0 0.0 0 0.0 7 42
221 A 304 ASN N + 0 0 -170.3 108.5 178.7 160.5 67.1 134.4 0 0.0 0 0.0 0 0.0 0 0.0 7 42
222 A 305 SER S - 0 0 -139.3 116.8 178.4 -131.9 33.6 158.4 0 0.0 0 0.0 0 0.0 0 0.0 10 43
223 A 306 SER S - 0 0 -64.7 140.0 179.5 -160.2 7.9 111.6 0 0.0 259 -2.2 0 0.0 258 -0.5 10 41
224 A 307 ASP D + 0 0 -105.1 14.1 -179.6 136.0 46.5 74.0 0 0.0 0 0.0 0 0.0 0 0.0 11 38
225 A 308 ASP D + 0 0 -68.5 135.0 176.4 160.1 21.5 106.8 0 0.0 0 0.0 0 0.0 0 0.0 7 39
226 A 309 ILE I g > T + 0 0 -130.7 0.3 179.8 96.5 53.2 71.2 0 0.0 229 -1.9 0 0.0 0 0.0 9 31
227 A 310 SER S G G > > TS+ 0 0 -63.2 -23.3 178.2 70.3 74.3 40.1 0 0.0 231 -2.2 0 0.0 230 -1.2 7 34
228 A 311 LYS K G G 4 3 TS+ 0 0 -64.3 -21.9 178.6 52.8 96.0 46.6 0 0.0 0 0.0 0 0.0 0 0.0 9 29
229 A 312 PHE F G G 4 < TS+ 0 0 -88.5 -11.1 -177.0 29.6 121.7 55.6 226 -1.9 251 -2.0 0 0.0 252 -1.1 11 27
230 A 313 TYR Y T g 4 < TS+ 0 0 -126.4 -9.5 -178.4 66.6 107.5 60.6 227 -1.2 249 -2.6 0 0.0 0 0.0 11 29
231 A 314 ARG R t < T - 0 0 -123.0 132.2 177.0 -133.3 70.0 165.9 227 -2.2 0 0.0 0 0.0 0 0.0 14 28
232 A 315 THR T t > T - 0 0 -72.5 150.5 -179.2 -106.0 37.5 122.1 0 0.0 236 -1.9 0 0.0 0 0.0 9 23
233 A 316 LYS K T T 4 TS+ 0 0 -49.1 -30.0 178.9 50.2 122.6 40.1 0 0.0 0 0.0 0 0.0 0 0.0 6 22
234 A 317 SER S T T 4 TS+ 0 0 -75.2 -44.8 -179.7 44.2 112.4 23.2 0 0.0 0 0.0 0 0.0 0 0.0 5 22
235 A 318 ASP D T T 4 > TS+ 0 0 -75.4 -15.7 178.8 115.7 90.2 48.3 0 0.0 238 -1.0 0 0.0 0 0.0 9 25
236 A 319 SER S T T < 3 TS+ 0 0 -56.3 139.0 -178.8 26.1 74.6 102.7 232 -1.9 0 0.0 0 0.0 0 0.0 8 26
237 A 320 GLY G T T > 3 TS+ 0 0 76.7 20.8 -179.0 142.3 83.7 45.0 0 0.0 241 -1.4 0 0.0 0 0.0 6 24
238 A 321 ALA A T T 4 <>T + 0 0 -55.0 -65.4 -177.9 40.3 65.3 15.6 235 -1.0 243 -2.3 0 0.0 0 0.0 11 21
239 A 322 LEU L T T 4 >5TS+ 0 0 -57.2 -42.7 -180.0 52.9 113.6 31.3 0 0.0 242 -1.6 0 0.0 0 0.0 9 19
240 A 323 LYS K T T 4 35TS+ 0 0 -65.6 -29.3 178.8 55.2 106.5 33.0 0 0.0 0 0.0 0 0.0 0 0.0 6 14
241 A 324 ALA A T T < 35TS- 0 0 -88.5 18.1 178.7 -99.0 128.5 83.1 237 -1.4 0 0.0 0 0.0 0 0.0 6 15
242 A 325 GLY G T T <5TS+ 0 0 84.2 -9.6 180.0 115.5 92.3 72.6 239 -1.6 0 0.0 0 0.0 0 0.0 6 12
243 A 326 ASN N t > T - 0 0 -75.5 176.0 177.8 -99.4 32.3 106.2 0 0.0 261 -1.9 0 0.0 0 0.0 10 31
258 A 341 GLU E H H > TS+ 0 0 -62.1 -37.1 -178.1 54.3 125.4 28.9 223 -0.5 262 -2.4 0 0.0 0 0.0 10 32
259 A 342 LEU L H H > TS+ 0 0 -64.6 -43.2 179.3 54.5 103.3 25.1 223 -2.2 263 -2.7 0 0.0 0 0.0 13 43
260 A 343 ASP D H H > TS+ 0 0 -54.7 -49.6 179.2 44.7 111.6 18.1 0 0.0 264 -2.2 0 0.0 0 0.0 9 38
261 A 344 SER S H H X TS+ 0 0 -61.3 -45.5 178.7 53.3 111.3 21.6 257 -1.9 265 -2.4 0 0.0 0 0.0 9 31
262 A 345 THR T H H X TS+ 0 0 -55.6 -46.1 -179.9 45.7 111.4 24.3 258 -2.4 266 -2.1 0 0.0 0 0.0 10 38
263 A 346 MET M H H X TS+ 0 0 -67.3 -36.1 178.3 57.3 107.5 28.2 259 -2.7 267 -3.1 0 0.0 0 0.0 10 46
264 A 347 GLU E H H X TS+ 0 0 -59.1 -45.9 177.7 47.5 109.1 19.6 260 -2.2 268 -2.4 0 0.0 0 0.0 8 35
265 A 348 LYS K H H X TS+ 0 0 -61.3 -47.7 -179.9 47.0 112.8 23.7 261 -2.4 269 -2.1 0 0.0 0 0.0 8 31
266 A 349 LEU L H H X TS+ 0 0 -63.6 -39.0 178.6 52.3 111.1 24.0 262 -2.1 270 -2.5 0 0.0 0 0.0 11 46
267 A 350 THR T H H X TS+ 0 0 -62.1 -45.4 179.2 52.1 107.6 19.0 263 -3.1 271 -2.9 0 0.0 0 0.0 10 46
268 A 351 ALA A H H X TS+ 0 0 -56.9 -42.0 -179.2 48.2 111.1 22.7 264 -2.4 272 -1.7 0 0.0 0 0.0 8 31
269 A 352 GLU E H H < TS+ 0 0 -71.6 -31.2 178.8 45.4 113.9 29.8 265 -2.1 0 0.0 0 0.0 0 0.0 8 36
270 A 353 LEU L H H < > TS+ 0 0 -72.5 -55.7 -176.6 51.2 111.8 8.2 266 -2.5 273 -2.3 0 0.0 0 0.0 10 52
271 A 354 VAL V H H < 3 TS+ 0 0 -53.9 -33.0 179.3 62.9 99.3 40.7 267 -2.9 0 0.0 0 0.0 0 0.0 9 46
272 A 355 GLN Q T h < 3 TS+ 0 0 -73.1 -5.9 179.7 77.1 95.4 58.0 268 -1.7 0 0.0 0 0.0 0 0.0 6 30
273 A 356 GLN Q S t < TS- 0 0 -101.8 163.5 -179.4 -91.3 95.7 135.4 270 -2.3 0 0.0 0 0.0 0 0.0 8 35
274 A 357 THR T t > T - 0 0 -74.8 131.5 -179.8 -104.7 48.1 117.6 0 0.0 277 -2.4 0 0.0 0 0.0 7 36
275 A 358 PRO P T T 3 TS+ 0 0 -57.9 128.3 179.4 13.7 106.2 109.7 0 0.0 0 0.0 0 0.0 0 0.0 11 48
276 A 359 GLY G T T 3 TS+ 0 0 87.4 -2.7 -179.4 76.5 116.0 65.9 0 0.0 0 0.0 0 0.0 0 0.0 8 47
277 A 360 LYS K t < T + 0 0 -132.1 41.4 -179.7 153.9 60.2 101.3 274 -2.4 0 0.0 0 0.0 0 0.0 6 40
278 A 361 LEU L - 0 0 -68.9 158.0 178.3 -109.0 44.5 108.0 0 0.0 0 0.0 0 0.0 0 0.0 10 44
279 A 362 LYS K - 0 0 -84.0 158.6 176.4 -115.9 25.5 114.3 0 0.0 215 -2.5 0 0.0 0 0.0 6 38
280 A 363 GLU E - 0 0 -86.8 156.2 178.6 -123.8 33.5 127.3 0 0.0 0 0.0 0 0.0 0 0.0 9 41
281 A 364 GLY G - 0 0 -89.0 -175.6 -180.0 -114.5 16.7 107.6 0 0.0 0 0.0 0 0.0 0 0.0 7 34
282 A 365 ALA A S S S+ 0 0 -101.0 -3.5 179.1 116.4 75.0 62.2 0 0.0 0 0.0 0 0.0 0 0.0 7 24
283 A 366 ASN N S h > > TS- 0 0 -61.4 155.3 -179.2 -104.7 83.3 101.5 0 0.0 286 -1.6 0 0.0 287 -1.6 6 33
284 A 367 ARG R H H > 3 TS+ 0 0 -52.9 -29.6 178.7 71.4 117.1 35.9 0 0.0 288 -3.4 0 0.0 0 0.0 6 34
285 A 368 VAL V H H > 3 TS+ 0 0 -53.2 -40.7 -178.6 40.1 104.4 27.6 0 0.0 289 -1.8 0 0.0 0 0.0 8 49
286 A 369 PHE F H H > < TS+ 0 0 -79.9 -39.0 -179.7 50.1 114.6 24.2 283 -1.6 290 -2.6 0 0.0 0 0.0 14 42
287 A 370 VAL V H H X TS+ 0 0 -68.1 -40.0 177.7 45.6 114.1 20.0 283 -1.6 291 -2.2 0 0.0 0 0.0 9 28
288 A 371 ASN N H H X TS+ 0 0 -66.7 -44.6 177.8 52.3 111.5 21.8 284 -3.4 292 -2.6 0 0.0 0 0.0 10 33
289 A 372 ASN N H H X TS+ 0 0 -57.5 -39.2 179.2 51.5 109.4 24.0 285 -1.8 293 -2.5 0 0.0 0 0.0 13 43
290 A 373 GLU E H H X TS+ 0 0 -64.8 -43.8 179.3 49.4 108.0 25.1 286 -2.6 294 -2.3 0 0.0 0 0.0 9 39
291 A 374 ASN N H H X TS+ 0 0 -60.0 -47.0 178.5 51.8 111.2 16.1 287 -2.2 295 -2.5 0 0.0 0 0.0 9 29
292 A 375 TRP W H H X TS+ 0 0 -52.9 -52.3 179.9 50.0 108.8 22.5 288 -2.6 296 -2.1 0 0.0 0 0.0 12 36
293 A 376 ARG R H H X TS+ 0 0 -55.0 -50.0 -179.9 48.5 110.5 24.4 289 -2.5 297 -2.6 0 0.0 0 0.0 12 42
294 A 377 GLN Q H H X TS+ 0 0 -58.1 -43.2 179.0 52.6 110.1 23.1 290 -2.3 298 -2.2 0 0.0 0 0.0 8 28
295 A 378 LYS K H H X TS+ 0 0 -58.8 -42.2 179.6 46.5 111.8 27.8 291 -2.5 299 -1.8 0 0.0 0 0.0 8 25
296 A 379 MET M H H X TS+ 0 0 -66.6 -46.5 179.6 50.1 111.3 24.9 292 -2.1 300 -1.1 0 0.0 0 0.0 10 33
297 A 380 LEU L H H < TS+ 0 0 -62.4 -32.4 179.0 57.8 107.1 35.1 293 -2.6 0 0.0 0 0.0 0 0.0 11 27
298 A 381 LYS K H H < TS+ 0 0 -62.1 -57.2 179.7 36.6 112.7 11.7 294 -2.2 0 0.0 0 0.0 0 0.0 7 16
299 A 382 GLN Q H H < TS+ 0 0 -72.0 -11.4 179.3 14.4 139.7 51.9 295 -1.8 0 0.0 0 0.0 0 0.0 6 16
300 A 383 ASP D h < > T - 0 0 -168.2 103.7 179.8 -166.3 55.9 129.8 296 -1.1 303 -1.3 0 0.0 0 0.0 7 19
301 A 384 PRO P T T 3 TS+ 0 0 -63.5 -19.7 179.2 43.1 100.6 48.5 0 0.0 0 0.0 0 0.0 0 0.0 8 20
302 A 385 GLN Q T h > 3 TS+ 0 0 -106.7 2.7 -178.8 117.2 79.5 68.2 0 0.0 306 -2.8 0 0.0 0 0.0 7 21
303 A 386 PHE F H H > < TS+ 0 0 -37.4 -50.5 -179.2 37.8 81.9 35.9 300 -1.3 307 -1.7 0 0.0 0 0.0 9 31
304 A 387 PHE F H H > TS+ 0 0 -77.5 -34.1 179.5 54.3 113.1 30.2 0 0.0 308 -1.8 0 0.0 0 0.0 12 39
305 A 388 SER S H H 4 TS+ 0 0 -66.8 -39.8 177.6 46.4 111.6 27.1 0 0.0 0 0.0 0 0.0 0 0.0 10 29
306 A 389 ASN N H H X > TS+ 0 0 -64.6 -45.7 178.5 55.3 108.8 19.0 302 -2.8 309 -2.6 0 0.0 310 -1.3 8 28
307 A 390 LEU L H H < 3 TS+ 0 0 -52.7 -37.7 -179.6 54.7 105.4 30.3 303 -1.7 0 0.0 0 0.0 0 0.0 12 41
308 A 391 ALA A T h < 3 TS+ 0 0 -79.1 2.1 -179.2 50.7 107.0 66.2 304 -1.8 0 0.0 0 0.0 0 0.0 9 36
309 A 392 HIS H T T 4 < TS+ 0 0 -111.2 -23.8 -178.8 130.2 73.7 48.3 306 -2.6 0 0.0 0 0.0 0 0.0 6 28
310 A 393 THR T t < T - 0 0 -38.2 131.0 -178.5 -110.0 61.2 86.2 306 -1.3 0 0.0 0 0.0 0 0.0 9 29
311 A 394 GLN Q - 0 0 -66.0 159.1 178.4 -70.1 45.4 102.0 0 0.0 0 0.0 0 0.0 0 0.0 6 30
312 A 395 THR T - 0 0 -47.3 135.2 -179.9 -98.0 64.6 97.8 0 0.0 0 0.0 0 0.0 0 0.0 7 38
313 A 396 PRO P - 0 0 -62.2 139.4 178.7 -161.6 26.0 111.1 0 0.0 0 0.0 0 0.0 0 0.0 11 49
314 A 397 GLU E S e S+ 0 0 -102.4 5.7 179.1 56.9 71.9 69.7 337 -1.0 370 -1.5 0 0.0 369 -1.4 12 47
315 A 398 ILE I E E Bef - 370 338 -142.3 141.8 176.5 -151.3 61.7 176.2 337 -0.6 339 -2.9 0 0.0 317 -0.5 13 62
316 A 399 LEU L E E Bef - 371 339 -106.6 129.4 178.0 -162.6 19.8 159.3 370 -2.2 372 -3.1 0 0.0 0 0.0 15 71
317 A 400 TRP W E E Bef - 372 340 -116.4 122.9 177.4 -166.6 5.6 167.4 339 -3.1 341 -2.9 315 -0.5 319 -0.6 13 79
318 A 401 ILE I E E Bef + 373 341 -110.1 108.0 -177.8 156.2 27.8 161.8 372 -3.1 374 -2.9 0 0.0 0 0.0 12 78
319 A 402 GLY G E E B f - 0 342 -125.1 -175.7 -178.7 -81.3 41.9 128.0 341 -2.9 343 -1.6 317 -0.6 0 0.0 14 77
320 A 403 CYS C E E B f> T - 0 343 -91.8 145.7 179.9 -124.2 30.9 133.5 0 0.0 323 -1.6 0 0.0 0 0.0 14 77
321 A 404 ALA A T e 3 TS+ 0 0 -58.7 -19.4 177.7 73.4 107.2 48.3 343 -2.6 86 -1.7 0 0.0 0 0.0 13 75
322 A 405 ASP D T T 3 TS+ 0 0 -59.0 -46.2 176.3 170.1 73.7 26.8 0 0.0 0 0.0 0 0.0 0 0.0 10 68
323 A 406 SER S t < T + 0 0 36.8 70.5 178.9 175.0 18.9 39.0 320 -1.6 82 -1.0 0 0.0 0 0.0 12 73
324 A 407 ARG R S S S+ 0 0 -80.7 -1.3 175.3 36.3 74.1 55.0 0 0.0 0 0.0 0 0.0 0 0.0 9 63
325 A 408 VAL V S S S- 0 0 -146.7 130.9 179.7 -113.8 89.4 166.6 0 0.0 0 0.0 0 0.0 0 0.0 8 67
326 A 409 PRO P h > T - 0 0 -62.0 140.6 -178.7 -125.3 27.9 114.4 0 0.0 330 -2.4 0 0.0 0 0.0 9 73
327 A 410 ALA A H H > TS+ 0 0 -51.8 -51.0 -179.5 50.2 110.4 24.1 0 0.0 331 -1.4 0 0.0 0 0.0 9 72
328 A 411 ASN N H H 4 >TS+ 0 0 -58.3 -36.6 -179.2 51.0 111.8 28.3 0 0.0 333 -3.5 0 0.0 0 0.0 12 58
329 A 412 GLN Q H H 4 >5TS+ 0 0 -67.2 -50.7 -177.6 54.3 103.5 18.1 0 0.0 332 -2.4 0 0.0 0 0.0 11 55
330 A 413 ILE I H H < 35TS+ 0 0 -57.9 -29.5 178.4 39.7 116.2 36.0 326 -2.4 0 0.0 0 0.0 0 0.0 11 63
331 A 414 ILE I T h < 35TS- 0 0 -107.3 19.8 175.7 -112.3 116.2 83.2 327 -1.4 0 0.0 0 0.0 0 0.0 11 59
332 A 415 ASN N T T <5T + 0 0 56.1 48.6 -179.7 136.7 68.4 30.7 329 -2.4 0 0.0 0 0.0 0 0.0 10 36
333 A 416 LEU L t T - 0 0 -59.8 144.6 179.2 -86.7 55.1 98.7 0 0.0 337 -1.7 0 0.0 0 0.0 8 41
335 A 418 ALA A T T 3 TS+ 0 0 -54.3 117.0 179.5 25.7 117.5 110.6 0 0.0 0 0.0 0 0.0 0 0.0 11 49
336 A 419 GLY G T T 3 TS+ 0 0 104.0 9.3 177.2 101.9 86.4 53.4 0 0.0 0 0.0 0 0.0 0 0.0 15 53
337 A 420 GLU E S e < TS+ 0 0 -102.7 2.6 177.3 62.7 78.4 64.9 334 -1.7 314 -1.0 0 0.0 315 -0.6 14 46
338 A 421 VAL V E E Bf S- 315 0 -131.5 129.3 179.4 -142.1 74.9 172.1 0 0.0 0 0.0 0 0.0 0 0.0 14 57
339 A 422 PHE F E E Bf - 316 0 -84.4 129.0 -176.0 -153.4 31.6 146.3 315 -2.9 317 -3.1 0 0.0 0 0.0 14 67
340 A 423 VAL V E E Bf - 317 0 -123.5 138.0 177.1 -179.0 25.4 155.1 67 -2.0 0 0.0 0 0.0 0 0.0 14 73
341 A 424 HIS H E E Bf - 318 0 -125.0 130.0 179.0 -177.4 14.7 169.6 317 -2.9 319 -2.9 0 0.0 0 0.0 14 73
342 A 425 ARG R E E BfA + 319 88 -135.0 133.8 177.9 146.6 12.8 174.2 88 -1.2 88 -1.3 0 0.0 0 0.0 13 77
343 A 426 ASN N E E Bf > T - 320 0 -147.2 179.6 -179.2 -57.3 58.4 145.5 319 -1.6 321 -2.6 0 0.0 346 -1.3 15 78
344 A 427 ILE I T T 3 TS- 0 0 -71.8 116.8 177.8 -6.4 121.2 127.1 0 0.0 0 0.0 0 0.0 0 0.0 12 73
345 A 428 ALA A T T 3 TS- 0 0 70.2 31.5 178.6 -86.7 110.8 37.9 0 0.0 0 0.0 0 0.0 0 0.0 12 77
346 A 429 ASN N t < T - 0 0 36.1 51.8 -179.1 -174.8 67.8 39.0 343 -1.3 0 0.0 0 0.0 0 0.0 15 79
347 A 430 GLN Q - 0 0 -77.8 144.1 178.0 -170.2 27.2 114.4 0 0.0 0 0.0 0 0.0 0 0.0 8 78
348 A 431 CYS C - 0 0 -129.9 61.4 -179.3 -171.8 19.7 124.4 0 0.0 0 0.0 0 0.0 0 0.0 10 67
349 A 432 ILE I t > T - 0 0 -60.2 136.1 -177.8 -123.0 29.2 108.7 0 0.0 352 -1.5 0 0.0 0 0.0 9 50
350 A 433 HIS H T T 3 TS+ 0 0 -46.8 -48.9 -177.8 30.9 108.8 30.0 0 0.0 0 0.0 0 0.0 0 0.0 7 39
351 A 434 SER S T T 3 TS+ 0 0 -102.1 19.3 -179.4 130.0 83.9 80.2 0 0.0 353 -0.8 0 0.0 0 0.0 5 31
352 A 435 ASP D h > < T - 0 0 -80.1 109.6 -178.3 -164.0 39.9 129.0 349 -1.5 356 -3.1 0 0.0 0 0.0 9 48
353 A 436 MET M H H > TS+ 0 0 -62.5 -37.3 177.8 55.4 88.4 33.8 351 -0.8 357 -2.7 0 0.0 0 0.0 7 51
354 A 437 SER S H H > TS+ 0 0 -60.5 -45.3 177.9 39.7 115.6 20.6 0 0.0 358 -1.4 0 0.0 0 0.0 11 64
355 A 438 PHE F H H > TS+ 0 0 -66.2 -51.0 -179.6 49.3 116.8 17.6 0 0.0 359 -2.6 0 0.0 0 0.0 11 72
356 A 439 LEU L H H X TS+ 0 0 -58.8 -39.1 179.6 52.8 108.8 28.9 352 -3.1 360 -3.1 0 0.0 0 0.0 11 60
357 A 440 SER S H H X TS+ 0 0 -65.3 -43.1 178.4 44.2 112.0 24.9 353 -2.7 361 -2.2 0 0.0 0 0.0 12 64
358 A 441 VAL V H H X TS+ 0 0 -66.3 -44.5 179.9 50.2 115.3 20.9 354 -1.4 362 -2.5 0 0.0 0 0.0 13 72
359 A 442 LEU L H H X TS+ 0 0 -57.5 -55.8 -179.7 44.3 113.1 17.4 355 -2.6 363 -3.3 0 0.0 0 0.0 11 74
360 A 443 GLN Q H H X >TS+ 0 0 -56.9 -48.9 179.5 51.3 112.9 21.4 356 -3.1 364 -2.2 0 0.0 365 -1.2 12 63
361 A 444 TYR Y H H X >TS+ 0 0 -55.5 -44.7 -179.0 39.3 117.7 23.7 357 -2.2 366 -2.5 0 0.0 365 -0.6 10 63
362 A 445 ALA A H H < 5TS+ 0 0 -72.3 -49.2 -178.5 34.6 124.8 22.3 358 -2.5 368 -2.3 0 0.0 0 0.0 13 62
363 A 446 VAL V H H < 5TS+ 0 0 -73.7 -52.5 -178.1 30.9 128.8 18.0 359 -3.3 0 0.0 0 0.0 0 0.0 14 58
364 A 447 GLN Q H H < 5TS+ 0 0 -76.8 -44.5 -178.1 22.9 133.4 24.3 360 -2.2 0 0.0 0 0.0 0 0.0 10 47
365 A 448 TYR Y T h < T - 0 460 -147.7 142.9 -178.7 -99.9 21.5 177.3 0 0.0 379 -1.5 0 0.0 0 0.0 11 66
377 A 460 TYR Y T e 3 TS+ 0 0 -61.6 145.3 -178.6 17.5 106.6 102.6 460 -3.2 0 0.0 0 0.0 0 0.0 11 60
378 A 461 ALA A T T 3 TS- 0 0 66.4 16.5 177.8 -175.0 84.9 52.2 0 0.0 0 0.0 0 0.0 0 0.0 11 52
379 A 462 CYS C h > < T - 0 0 -45.6 119.3 179.8 -148.3 20.7 99.1 376 -1.5 383 -2.4 0 0.0 0 0.0 11 62
380 A 463 GLY G H H > TS+ 0 0 -63.9 -30.5 178.3 56.5 96.0 36.8 0 0.0 384 -2.6 0 0.0 0 0.0 8 62
381 A 464 GLY G H H > TS+ 0 0 -67.5 -42.8 178.7 43.4 110.6 22.7 0 0.0 385 -1.6 0 0.0 0 0.0 9 64
382 A 465 CYS C H H 4 TS+ 0 0 -68.6 -38.8 177.7 50.1 114.4 27.5 0 0.0 0 0.0 0 0.0 0 0.0 14 60
383 A 466 ALA A H H < > TS+ 0 0 -64.4 -41.4 -179.9 52.7 109.3 23.3 379 -2.4 386 -1.4 0 0.0 0 0.0 10 48
384 A 467 ALA A H H < > TS+ 0 0 -62.1 -34.5 -178.9 66.8 97.4 30.5 380 -2.6 387 -1.9 0 0.0 0 0.0 9 54
385 A 468 ALA A T h < 3 TS+ 0 0 -60.6 -21.5 -179.3 51.6 99.2 47.6 381 -1.6 0 0.0 0 0.0 0 0.0 11 48
386 A 469 LEU L T T < TS+ 0 0 -94.2 -4.8 -178.7 90.9 97.4 59.3 383 -1.4 0 0.0 0 0.0 0 0.0 7 41
387 A 470 GLY G S t < TS- 0 0 -81.6 -171.1 -177.8 -112.1 83.4 90.6 384 -1.9 0 0.0 0 0.0 0 0.0 6 30
388 A 471 ASP D + 0 0 -109.4 15.1 -178.1 138.0 61.6 77.0 0 0.0 0 0.0 0 0.0 0 0.0 4 24
389 A 472 SER S - 0 0 -64.8 140.5 -179.2 -159.4 38.5 107.4 0 0.0 0 0.0 0 0.0 0 0.0 6 28
390 A 473 ARG R + 0 0 -112.3 30.3 179.7 150.5 31.9 89.8 0 0.0 0 0.0 0 0.0 0 0.0 5 22
391 A 474 LEU L t > >T - 0 0 -67.4 119.3 -177.4 -134.6 46.0 121.5 0 0.0 395 -1.9 0 0.0 396 -0.6 8 36
392 A 475 GLY G T T 4 5TS+ 0 0 -45.9 -35.9 -178.7 26.8 93.9 46.3 0 0.0 0 0.0 0 0.0 0 0.0 6 34
393 A 476 LEU L T h > 5TS+ 0 0 -99.4 -51.0 -178.4 38.3 125.4 25.5 0 0.0 397 -1.7 0 0.0 0 0.0 10 41
394 A 477 ILE I H H > 5TS+ 0 0 -69.4 -40.3 -177.6 49.9 116.8 20.2 0 0.0 398 -2.3 0 0.0 0 0.0 12 51
395 A 478 ASP D H H < 5TS+ 0 0 -75.4 -21.1 175.2 47.9 110.4 40.0 391 -1.9 0 0.0 0 0.0 0 0.0 12 41
396 A 479 ASN N H H 4 > TS+ 0 0 -58.2 -47.7 -178.9 53.5 107.4 17.8 393 -1.7 400 -1.5 0 0.0 0 0.0 10 53
398 A 481 LEU L T h X > TS+ 0 0 -65.3 -15.9 178.8 87.1 82.9 47.9 394 -2.3 401 -2.0 0 0.0 402 -1.2 12 51
399 A 482 ARG R H H > < TS+ 0 0 -57.1 -21.3 178.3 67.8 78.4 41.3 396 -0.6 403 -1.5 0 0.0 0 0.0 9 43
400 A 483 HIS H H H > < TS+ 0 0 -67.5 -33.0 178.5 51.1 96.6 32.2 397 -1.5 404 -1.2 0 0.0 0 0.0 9 45
401 A 484 ILE I H H > < TS+ 0 0 -73.2 -28.9 177.5 58.5 104.8 33.5 398 -2.0 405 -1.9 0 0.0 0 0.0 10 54
402 A 485 ARG R H H X TS+ 0 0 -66.6 -35.9 178.2 54.9 101.0 28.2 398 -1.2 406 -2.8 0 0.0 0 0.0 10 42
403 A 486 ASP D H H X TS+ 0 0 -63.1 -39.8 178.4 52.0 106.2 28.9 399 -1.5 407 -2.0 0 0.0 0 0.0 8 38
404 A 487 VAL V H H < TS+ 0 0 -61.8 -43.8 -179.6 47.4 110.8 22.1 400 -1.2 0 0.0 0 0.0 0 0.0 12 46
405 A 488 ARG R H H < > TS+ 0 0 -60.8 -53.6 -179.1 49.5 112.5 14.4 401 -1.9 408 -1.8 0 0.0 0 0.0 10 42
406 A 489 ARG R H H < > TS+ 0 0 -56.1 -37.2 -178.5 47.4 111.8 37.6 402 -2.8 409 -0.6 0 0.0 0 0.0 7 27
407 A 490 HIS H T h < 3 TS+ 0 0 -89.6 4.5 -177.7 46.6 114.4 69.5 403 -2.0 0 0.0 0 0.0 0 0.0 6 27
408 A 491 ASN N T h > < T + 0 0 -134.5 28.7 180.0 121.9 65.4 90.4 405 -1.8 412 -2.8 0 0.0 0 0.0 8 37
409 A 492 GLN Q H H > < T + 0 0 -63.3 -26.1 179.3 70.9 67.0 39.7 406 -0.6 413 -3.0 0 0.0 0 0.0 8 28
410 A 493 ALA A H H 4 TS+ 0 0 -55.2 -51.2 178.6 26.6 113.4 16.2 0 0.0 0 0.0 0 0.0 0 0.0 6 23
411 A 494 GLU E H H 4 > TS+ 0 0 -78.3 -44.3 -178.6 54.4 121.2 26.0 0 0.0 414 -1.0 0 0.0 0 0.0 8 39
412 A 495 LEU L H H < > TS+ 0 0 -61.4 -34.3 179.0 64.0 98.6 29.3 408 -2.8 415 -1.9 0 0.0 0 0.0 11 38
413 A 496 SER S T h < 3 TS+ 0 0 -58.6 -30.0 179.9 65.0 91.7 40.4 409 -3.0 0 0.0 0 0.0 0 0.0 7 25
414 A 497 ARG R T T < TS+ 0 0 -66.7 -21.0 -176.8 67.8 96.6 45.2 411 -1.0 416 -0.5 0 0.0 0 0.0 6 25
415 A 498 ILE I t < T + 0 0 -109.7 128.6 -179.1 160.8 46.8 155.0 412 -1.9 0 0.0 0 0.0 0 0.0 9 28
416 A 499 THR T + 0 0 -114.7 -29.4 178.7 101.0 47.2 51.3 414 -0.5 0 0.0 0 0.0 0 0.0 7 20
417 A 500 ASP D S h > TS- 0 0 -63.1 122.6 -179.6 -139.5 71.2 121.9 0 0.0 421 -2.4 0 0.0 0 0.0 6 19
418 A 501 PRO P H H > TS+ 0 0 -48.7 -51.4 179.7 50.2 97.7 28.1 0 0.0 422 -2.5 0 0.0 0 0.0 7 29
419 A 502 LYS K H H > TS+ 0 0 -56.9 -55.0 -177.9 39.1 116.0 17.7 0 0.0 423 -2.5 0 0.0 0 0.0 7 29
420 A 503 ASP D H H > TS+ 0 0 -66.7 -33.1 179.6 56.2 113.9 38.0 0 0.0 424 -1.4 0 0.0 0 0.0 11 38
421 A 504 SER S H H X TS+ 0 0 -66.3 -41.9 177.3 44.4 109.7 21.1 417 -2.4 425 -2.0 0 0.0 0 0.0 12 43
422 A 505 LEU L H H X TS+ 0 0 -65.5 -47.6 180.0 53.1 112.6 23.4 418 -2.5 426 -2.3 0 0.0 0 0.0 11 47
423 A 506 ASN N H H X TS+ 0 0 -60.2 -28.5 178.9 49.8 108.3 39.3 419 -2.5 427 -1.1 0 0.0 0 0.0 12 57
424 A 507 ARG R H H X TS+ 0 0 -76.3 -42.6 178.9 50.8 109.3 25.8 420 -1.4 428 -2.5 0 0.0 0 0.0 11 63
425 A 508 LEU L H H X TS+ 0 0 -58.1 -40.5 179.8 54.2 108.3 27.9 421 -2.0 429 -2.3 0 0.0 0 0.0 12 67
426 A 509 ILE I H H X TS+ 0 0 -61.9 -37.8 -179.6 48.0 109.5 29.5 422 -2.3 430 -1.7 0 0.0 0 0.0 14 73
427 A 510 GLU E H H X TS+ 0 0 -70.2 -47.6 179.7 45.7 112.6 25.3 423 -1.1 431 -1.8 0 0.0 0 0.0 12 72
428 A 511 ILE I H H X TS+ 0 0 -66.1 -31.2 177.8 59.0 108.3 33.8 424 -2.5 432 -3.0 0 0.0 0 0.0 10 71
429 A 512 ASN N H H X TS+ 0 0 -63.4 -43.0 177.7 48.2 105.9 18.6 425 -2.3 433 -2.9 0 0.0 0 0.0 11 74
430 A 513 VAL V H H X TS+ 0 0 -61.0 -44.4 -179.9 48.6 112.9 24.6 426 -1.7 434 -2.4 0 0.0 0 0.0 16 70
431 A 514 LEU L H H X TS+ 0 0 -61.7 -46.6 179.4 47.5 112.6 20.4 427 -1.8 435 -2.2 0 0.0 0 0.0 14 67
432 A 515 GLU E H H X TS+ 0 0 -63.1 -40.8 -179.7 50.2 112.3 23.3 428 -3.0 436 -2.2 0 0.0 0 0.0 9 63
433 A 516 GLN Q H H X TS+ 0 0 -68.8 -34.6 176.7 52.0 108.6 28.6 429 -2.9 437 -2.1 0 0.0 0 0.0 13 70
434 A 517 MET M H H X TS+ 0 0 -63.5 -44.7 179.6 53.7 107.1 25.4 430 -2.4 438 -2.3 0 0.0 0 0.0 13 67
435 A 518 HIS H H H X TS+ 0 0 -53.6 -51.2 179.1 52.3 107.2 15.6 431 -2.2 439 -2.0 0 0.0 0 0.0 10 62
436 A 519 ASN N H H X TS+ 0 0 -55.4 -44.2 179.3 47.4 109.1 29.6 432 -2.2 440 -0.7 0 0.0 0 0.0 11 58
437 A 520 VAL V H H < > TS+ 0 0 -68.6 -32.3 179.2 51.7 111.8 25.1 433 -2.1 440 -0.8 0 0.0 0 0.0 11 68
438 A 521 CYS C H H < 3 TS+ 0 0 -67.4 -34.4 -179.8 50.9 109.4 32.4 434 -2.3 0 0.0 0 0.0 0 0.0 12 61
439 A 522 ALA A H H < 3 TS+ 0 0 -82.2 -6.5 179.4 111.8 85.5 57.5 435 -2.0 0 0.0 0 0.0 0 0.0 10 50
440 A 523 THR T S h X < TS- 0 0 -68.8 148.4 177.9 -123.6 77.4 112.0 437 -0.8 444 -2.5 436 -0.7 0 0.0 9 50
441 A 524 SER S H H > TS+ 0 0 -56.6 -30.3 -179.0 61.9 112.0 30.1 0 0.0 445 -2.7 0 0.0 0 0.0 6 42
442 A 525 ILE I H H > TS+ 0 0 -63.1 -51.2 179.8 35.8 108.6 22.2 0 0.0 446 -1.8 0 0.0 0 0.0 10 55
443 A 526 VAL V H H > TS+ 0 0 -74.0 -37.3 179.0 53.6 117.2 26.7 0 0.0 447 -2.7 0 0.0 0 0.0 12 56
444 A 527 GLN Q H H X TS+ 0 0 -63.1 -43.1 177.8 47.8 110.1 21.3 440 -2.5 448 -2.7 0 0.0 0 0.0 12 43
445 A 528 ASP D H H X TS+ 0 0 -62.1 -46.5 -179.7 48.6 112.6 20.2 441 -2.7 449 -0.5 0 0.0 0 0.0 8 37
446 A 529 ALA A H H < >>TS+ 0 0 -60.2 -44.8 -179.1 49.4 112.7 22.0 442 -1.8 451 -2.6 0 0.0 449 -0.7 13 38
447 A 530 TRP W H H < >5TS+ 0 0 -61.5 -56.8 -179.3 42.7 112.8 15.1 443 -2.7 450 -2.5 0 0.0 0 0.0 11 36
448 A 531 ASP D H H < 35TS+ 0 0 -73.5 4.6 175.2 63.5 107.6 60.2 444 -2.7 0 0.0 0 0.0 0 0.0 8 27
449 A 532 ALA A T h < <5TS- 0 0 -98.3 -1.0 179.7 -114.8 119.4 71.8 446 -0.7 0 0.0 445 -0.5 0 0.0 6 23
450 A 533 GLY G T T <5T + 0 0 74.3 22.5 -179.6 153.8 62.9 44.9 447 -2.5 0 0.0 0 0.0 0 0.0 6 21
451 A 534 GLN Q t > T - 0 0 -112.3 133.3 -178.0 -137.2 21.4 162.4 0 0.0 465 -2.3 0 0.0 464 -1.7 12 56
462 A 545 VAL V T T 4 3 TS+ 0 0 -63.1 -20.8 179.1 74.8 98.9 40.5 0 0.0 0 0.0 0 0.0 0 0.0 12 53
463 A 546 GLY G T T 4 3 TS+ 0 0 -64.3 -23.2 178.2 8.9 120.2 44.9 0 0.0 0 0.0 0 0.0 0 0.0 8 39
464 A 547 ASP D T T 4 < TS- 0 0 -133.2 -12.2 179.2 -138.9 85.3 64.0 461 -1.7 0 0.0 0 0.0 0 0.0 9 44
465 A 548 GLY G t < T + 0 0 57.8 22.0 -178.9 147.7 50.9 45.1 461 -2.3 467 -0.5 0 0.0 0 0.0 11 58
466 A 549 LYS K - 0 0 -93.8 125.8 178.7 -131.5 46.4 141.1 0 0.0 0 0.0 0 0.0 0 0.0 11 53
467 A 550 LEU L - 0 0 -77.9 132.2 -179.6 -156.5 19.9 127.7 465 -0.5 0 0.0 0 0.0 0 0.0 11 59
468 A 551 ARG R E E BH - 459 0 -114.1 132.3 -176.5 -114.4 20.1 155.9 459 -3.5 459 -1.4 0 0.0 0 0.0 13 56
469 A 552 ASP D E E BH + 458 0 -70.9 127.3 178.2 173.3 31.6 117.6 25 -2.2 0 0.0 0 0.0 0 0.0 12 63
470 A 553 MET M E E B* - 0 0 -108.2 -5.2 179.4 -71.0 64.9 68.3 457 -2.4 0 0.0 0 0.0 0 0.0 14 62
471 A 554 GLY G E E BH - 457 0 132.8 161.6 178.6 -130.4 39.7 123.3 457 -0.8 457 -3.2 0 0.0 0 0.0 10 60
472 A 555 VAL V E E BH - 456 0 -145.0 144.8 179.4 -162.8 10.8 168.0 0 0.0 0 0.0 0 0.0 0 0.0 9 59
473 A 556 VAL V E E BH + 455 0 -133.7 122.7 179.7 179.7 9.9 169.1 455 -2.1 455 -2.8 0 0.0 0 0.0 10 54
474 A 557 ALA A S S S- 0 0 -93.2 -25.1 178.9 -18.1 74.2 48.4 0 0.0 0 0.0 0 0.0 0 0.0 8 44
475 A 558 LYS K + 0 0 179.0 134.8 -179.4 163.4 60.6 135.2 0 0.0 0 0.0 0 0.0 0 0.0 7 45
476 A 559 ALA A - 0 0 -163.7 115.6 180.0 -128.4 33.0 146.1 0 0.0 0 0.0 0 0.0 0 0.0 9 43
477 A 560 ASN N - 0 0 -67.1 135.4 179.7 -161.6 12.8 116.4 0 0.0 5 -2.2 0 0.0 0 0.0 9 37
478 A 561 ASP D + 0 0 -107.2 25.3 179.9 124.8 46.1 82.0 0 0.0 0 0.0 0 0.0 0 0.0 10 35
479 A 562 ASP D + 0 0 -89.9 131.7 178.0 167.3 24.7 129.3 0 0.0 0 0.0 0 0.0 0 0.0 6 26
480 A 563 ILE I 0 0 -101.3 -50.0 -179.5 999.9 999.9 39.8 0 0.0 0 0.0 0 0.0 0 0.0 6 15
481 A 564 GLY G 0 0 153.8 999.9 999.9 999.9 999.9 105.6 0 0.0 0 0.0 0 0.0 0 0.0 2 10
1ddzA.pdb
1DDZ LYASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand HHHHHHHHHHHHHHTS TT SSHHHHHHHHHHHHHHHH TTHHHHHHT SEEEEEETT SS HHHHTT TTSEEEEEEGGG TT HH Kabs/Sand
chirality --+++++++++++++++--+++----+-++++++++++++++++-+++++++++----+---+--++-+--++++-+--+++--+-+-------++-++ chirality
bends SSSSSSSSSSSSSSSS SS SSSSSSSSSSSSSSSSSS SSSSSSSSS S SS SS SSSSS SSSS SS SS SS bends
turns TTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTT TTTTTTTTTTTT TTTTT TTTTTT turns
5-turns >5555< 5-turns
3-turns >33<>33< >33< >33< >>3<< >33< >33< >33< >>3<< >33< 3-turns
bridge-2 bbbbbb A bridge-2
bridge-1 aaaa bbbbbb bridge-1
sheets AAAAAA AAAAAA sheets
4-turns >>>>XXXXXXXX<<<< >>>>XXXXXXXXXX<<<< >>>><<<< >>44<< >>> 4-turns
summary hHHHHHHHHHHHHHHhttTTt ShHHHHHHHHHHHHHHHHhThHHHHHHht eEEEEEEeTtSShHHHHhTttTTeEEEEEEGGGg tTThHH summary
sequence VMSDLEKKFIELEAKLVAQPAGQAMPGKSNIFANNEAWRQEMLKQDPEFFNRLANGQSPEYLWIGCADSRVPANQLLDLPAGEVFVHRNIANQCIHSDIS sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHHHHHHHHHTS SEEEEEEETT HHHHHHHH THHHHHHHHHHHHHHHTHHHHTT SSHHHHHHHHHHHHHHHHHHHHHHSHHHHHHHHTT E Kabs/Sand
chirality +++++++++++---+----+--++-++++++++-++-+++++++++++++++++++++++---++++++++++++++++++++++-++++++++-+-+-- chirality
bends SSSSSSSSSSSS S SS SSSSSSSS SSSSSSSSSSSSSSS SSSSSS SSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSS bends
turns TTTTTTTTTTTT TTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >>555<< >5555< 5-turns
3-turns >33< >33< >>><<<>>3<< >3><3<>33< >33< >33< 3-turns
bridge-2 ccccccc bridge-2
bridge-1 aaaa c bridge-1
sheets AAAAAAA A sheets
4-turns >XXXXXX<<<< >>>>XX<<<< >>>><>XXX<<4><<4< >>>>XXXXXXXXXXXXXXXX<<>>XX<<<< 4-turns
summary HHHHHHHHHHht eEEEEEEEeThHHHHHHHHh thHHHHHHHHHHHHHHHhHHHHhTtShHHHHHHHHHHHHHHHHHHHHHHhHHHHHHHHhTt E summary
sequence FLSVLQYAVQYLKVKHILVCGHYGCGGAKAALGDSRLGLIDNWLRHIRDVRRMNAKYLDKCKDGDEELNRLIELNVLEQVHNVCATSIVQDAWDAGQELT sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand EEEEEE TTT EEEEEES GGGT TTTTTTTTTT TT SSSS HHHHHHHHHHHHHHTS TT SSHHHHHHHHHHHHHHHH Kabs/Sand
chirality +-+-+--++-+---+-----+--+++++++--++++++++-++++----++-++---+++++++++++++++--+++----+-++++++++++++++++- chirality
bends SSS S SSSS SSSSS SSSS S SSSS SSSSSSSSSSSSSSSS SS SSSSSSSSSSSSSSSSSS bends
turns TTTTT TTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >33< >>3<< >33<>33<>33< >33<>33< >33< > 3-turns
bridge-2 DDDDD bridge-2
bridge-1 cccccc DD*DDD bridge-1
sheets AAAAAA AAAAAA sheets
4-turns >444< >444<>444<>444< >>>>XXXXXXXX<<<< >>>>XXXXXXXXXX<<<< 4-turns
summary EEEEEEtTTTt EEEEEES gGGGgttTTTTTTTTTTtTTt SSSS hHHHHHHHHHHHHHHhttTTt ShHHHHHHHHHHHHHHHHh summary
sequence VQGVVYGVGDGKLRDLGVVVNSSDDISKFYRTKSDSGALKAGNPNAPLVQVTKGGESELDSTMEKLTAELVQQTPGKLKEGANRVFVNNENWRQKMLKQD sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand TTHHHHHTT SEEEEEETT SS HHHHTT TTSEEEEEETT TT HHHHHHHHHHHHTS SEEEEEEETT HHHHHTTS TTHHHHTHH Kabs/Sand
chirality +++++++++----+---+--++++--++++-+--+++----+-------++-+++++++++++++---+----+--+--+++++++-+-+-+++++++++ chirality
bends SSSSSSSSS S SS SS SSSSS SSSS SS SS SSSSSSSSSSSSSS S SS SSSSSSSS SSSSSSSSS bends
turns TTTTTTTTTT TTTT TTTTTTTTTTTT TTTT TTTTTTTTTTTTTTTTTT TTTTTTTTTTTT TTTTTTTTTT turns
5-turns >5555< >>555<< >5555< 5-turns
3-turns 33< >33< >33< >33< >33< >33< >33< >33< >>3<< >>><< 3-turns
bridge-2 ffffff A ggggggg bridge-2
bridge-1 eeee ffffff eeee bridge-1
sheets BBBBBB BBBBBB BBBBBBB sheets
4-turns >>>4X<<4< >>44<< >>>>XXXXXX<<<< >>>4<<< >4>><4> 4-turns
summary ThHHHHHhTt eEEEEEEeTtSShHHHHhTttTTeEEEEEETTt tTThHHHHHHHHHHHHht eEEEEEEEeThHHHHHhTt tThHHHHhHH summary
sequence PQFFSNLAHTQTPEILWIGCADSRVPANQIINLPAGEVFVHRNIANQCIHSDMSFLSVLQYAVQYLKVKRVVVCGHYACGGCAAALGDSRLGLIDNWLRH sequence
310 320 330 340 350 360 370 380 390 400
author author
Kabs/Sand HHHHHHTTHHHHTT SHHHHHHHHHHHHHHHHHHHHHHSHHHHHHHHTT EEEEEEE TTT EEEEEES Kabs/Sand
chirality ++++++++++++++++-++++++++++++++++++++++-++++++++-+-+----+-+--++-+---+---+-+--++ chirality
bends SSSSSSS SSSSS SSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSS SSS S bends
turns TTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTT turns
5-turns >5555< 5-turns
3-turns < >>3<< >>3<< >33< >>3<< >33< 3-turns
bridge-2 HHHHH bridge-2
bridge-1 ggggggg HH*HHH bridge-1
sheets BBBBBBB BBBBBB sheets
4-turns >XX<<<<>>44<< >>>>XXXXXXXXXXXXXXXX<<>>XX<<<< >444< 4-turns
summary HHHHHHhhHHHHhTt hHHHHHHHHHHHHHHHHHHHHHHhHHHHHHHHhTt EEEEEEEtTTTt EEEEEES summary
sequence IRDVRRHNQAELSRITDPKDSLNRLIEINVLEQMHNVCATSIVQDAWDAGQELEVQGVVYGVGDGKLRDMGVVAKANDDIG sequence
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