Secondary structure calculation program - copyright by David Keith Smith, 1989
1h8eA.pdb
1H8E ATP PHOSPHORYLASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 486
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 19 ALA A 0 0 999.9 -123.7 -176.3 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 4 6
2 A 20 ASP D + 0 0 -45.2 -74.6 -178.2 29.7 999.9 26.1 0 0.0 0 0.0 0 0.0 0 0.0 4 6
3 A 21 THR T S S S+ 0 0 -62.5 -38.2 178.7 102.7 102.8 33.2 0 0.0 0 0.0 0 0.0 0 0.0 4 9
4 A 22 SER S - 0 0 -41.9 156.6 -178.9 -176.3 49.8 89.9 0 0.0 0 0.0 0 0.0 0 0.0 5 13
5 A 23 VAL V - 0 0 -159.4 146.6 -179.7 -110.4 34.0 170.4 0 0.0 7 -1.0 0 0.0 0 0.0 7 23
6 A 24 ASP D t > T + 0 0 -85.9 99.5 -174.0 175.8 33.7 138.6 0 0.0 10 -1.2 0 0.0 0 0.0 7 23
7 A 25 LEU L T T 4 TS+ 0 0 -90.6 8.6 175.2 67.1 74.4 70.0 5 -1.0 27 -3.0 0 0.0 0 0.0 9 33
8 A 26 GLU E T T 4 TS+ 0 0 -88.6 -37.5 -173.6 21.1 116.2 35.3 0 0.0 28 -2.0 0 0.0 0 0.0 10 29
9 A 27 GLU E T e 4 TS+ 0 0 -110.7 -10.2 -179.9 33.2 130.6 64.1 0 0.0 72 -2.5 0 0.0 0 0.0 12 34
10 A 28 THR T E E T + 0 20 -176.5 141.9 176.8 8.2 64.7 151.4 20 -1.3 20 -2.1 0 0.0 0 0.0 7 35
18 A 36 ASP D T T 3 TS- 0 0 52.5 40.1 -178.1 -52.8 128.0 32.4 0 0.0 0 0.0 0 0.0 0 0.0 6 38
19 A 37 GLY G T e 3 TS+ 0 0 75.5 5.6 179.9 112.7 113.7 50.9 0 0.0 57 -2.8 0 0.0 21 -0.5 12 51
20 A 38 ILE I E E ABC< T - 17 56 -114.4 118.1 172.2 -169.7 44.7 163.2 17 -2.1 17 -1.3 0 0.0 0 0.0 13 58
21 A 39 ALA A E E ABC - 16 55 -101.3 126.6 175.6 -151.8 11.9 150.5 55 -2.7 55 -3.5 19 -0.5 23 -0.6 14 62
22 A 40 ARG R E E ABC - 15 54 -95.2 121.5 -171.7 -159.2 23.7 158.7 15 -2.8 14 -2.8 0 0.0 15 -1.2 12 51
23 A 41 VAL V E E ABC - 13 53 -115.8 135.5 177.7 -144.8 14.7 157.2 53 -3.2 53 -1.5 21 -0.6 0 0.0 15 58
24 A 42 HIS H E E AB S+ 12 0 -88.1 139.1 177.7 3.1 72.6 135.7 12 -4.2 12 -2.5 0 0.0 0 0.0 11 43
25 A 43 GLY G E E AB + 11 0 98.3 -134.5 -176.6 133.3 57.5 136.4 0 0.0 0 0.0 0 0.0 0 0.0 13 42
26 A 44 LEU L e > T + 0 0 46.0 40.2 -176.7 172.7 33.3 27.4 10 -2.6 29 -2.1 0 0.0 0 0.0 14 47
27 A 45 ARG R T T 3 TS+ 0 0 -50.3 -32.5 -178.1 42.1 72.6 39.8 7 -3.0 0 0.0 0 0.0 0 0.0 8 37
28 A 46 ASN N T T 3 TS+ 0 0 -98.4 3.5 -179.8 128.8 83.0 63.8 8 -2.0 0 0.0 0 0.0 0 0.0 6 36
29 A 47 VAL V t < T - 0 0 -57.6 141.3 175.3 -131.1 54.7 103.6 26 -2.1 0 0.0 0 0.0 0 0.0 10 44
30 A 48 GLN Q t > T - 0 0 -92.8 153.0 174.2 -88.3 29.7 132.8 0 0.0 33 -2.0 0 0.0 0 0.0 6 38
31 A 49 ALA A T T 3 TS+ 0 0 -58.8 120.8 176.3 7.3 114.5 118.2 0 0.0 0 0.0 0 0.0 0 0.0 8 32
32 A 50 GLU E T T 3 TS+ 0 0 84.2 7.8 -179.6 146.0 92.4 59.8 45 -3.5 0 0.0 0 0.0 0 0.0 7 48
33 A 51 GLU E e < T - 0 0 -74.8 141.1 175.4 -120.9 50.4 121.9 30 -2.0 45 -2.1 0 0.0 0 0.0 12 44
34 A 52 MET M E E AD - 44 0 -83.7 136.2 179.9 -173.4 33.3 134.3 0 0.0 0 0.0 0 0.0 0 0.0 12 50
35 A 53 VAL V E E AD - 43 0 -118.6 170.7 -177.4 -123.9 17.2 130.7 43 -2.8 43 -2.0 0 0.0 0 0.0 13 56
36 A 54 GLU E E E ADE - 42 71 -127.6 133.3 -177.8 -144.4 11.8 168.7 71 -2.2 71 -2.7 0 0.0 0 0.0 12 51
37 A 55 PHE F E E A E> T - 0 70 -88.3 160.4 -175.0 -102.8 35.9 120.8 41 -3.1 40 -2.7 0 0.0 0 0.0 13 52
38 A 56 SER S T e 3 TS+ 0 0 -53.7 -38.4 179.8 57.7 121.1 31.9 69 -1.4 0 0.0 0 0.0 0 0.0 9 35
39 A 57 SER S T T 3 TS- 0 0 -66.2 -14.8 -176.4 -105.0 121.4 47.9 0 0.0 0 0.0 0 0.0 0 0.0 6 27
40 A 58 GLY G S t < TS+ 0 0 109.2 -28.3 175.5 134.1 77.6 92.0 37 -2.7 0 0.0 0 0.0 0 0.0 6 26
41 A 59 LEU L e - 0 0 -53.8 148.2 176.4 -137.7 47.7 100.7 0 0.0 37 -3.1 0 0.0 0 0.0 11 40
42 A 60 LYS K E E ADF - 36 58 -105.2 161.4 176.8 -174.3 20.3 130.5 58 -0.5 58 -2.7 0 0.0 0 0.0 11 56
43 A 61 GLY G E E ADF - 35 57 -149.8 162.2 177.4 -125.5 21.1 170.9 35 -2.0 35 -2.8 0 0.0 0 0.0 12 68
44 A 62 MET M E E ADF - 34 56 -116.2 131.0 179.8 -135.4 18.0 159.0 56 -1.9 56 -2.8 0 0.0 46 -1.4 12 62
45 A 63 SER S E E A F + 0 55 -81.2 86.5 179.8 153.5 41.3 129.2 33 -2.1 32 -3.5 0 0.0 0 0.0 16 57
46 A 64 LEU L E E A * + 0 0 -86.3 -30.3 179.0 49.1 63.7 39.5 44 -1.4 48 -0.6 54 -1.1 0 0.0 11 50
47 A 65 ASN N E E A F - 0 54 -113.5 112.2 176.2 -174.0 61.9 160.7 54 -1.6 54 -3.2 0 0.0 49 -0.7 9 42
48 A 66 LEU L E E A F + 0 53 -99.1 114.0 -176.9 177.1 20.3 161.2 46 -0.6 0 0.0 0 0.0 0 0.0 9 38
49 A 67 GLU E E E A F> T - 0 52 -119.6 166.7 -174.8 -102.6 43.9 137.2 52 -3.7 52 -0.6 47 -0.7 0 0.0 7 29
50 A 68 PRO P T T 3 TS+ 0 0 -51.6 -44.2 -177.9 18.5 120.7 21.3 0 0.0 0 0.0 0 0.0 0 0.0 4 23
51 A 69 ASP D T T 3 TS+ 0 0 -111.1 5.5 -177.4 21.2 129.4 73.5 0 0.0 0 0.0 0 0.0 0 0.0 6 26
52 A 70 ASN N E E A F< T - 0 49 -165.0 163.0 171.9 -125.4 59.2 172.4 49 -0.6 49 -3.7 0 0.0 0 0.0 10 42
53 A 71 VAL V E E ACF - 23 48 -112.0 130.7 177.0 -143.6 23.5 170.5 23 -1.5 23 -3.2 0 0.0 55 -0.8 15 58
54 A 72 GLY G E E ACF - 22 47 -93.5 110.7 -179.7 -169.4 25.5 150.4 47 -3.2 47 -1.6 0 0.0 46 -1.1 14 57
55 A 73 VAL V E E ACF - 21 45 -107.6 136.1 177.9 -140.4 16.9 154.4 21 -3.5 21 -2.7 53 -0.8 0 0.0 13 68
56 A 74 VAL V E E ACF - 20 44 -94.6 125.7 -173.4 -128.8 25.6 132.0 44 -2.8 44 -1.9 0 0.0 0 0.0 13 62
57 A 75 VAL V E E A F - 0 43 -81.9 128.5 176.3 -152.8 9.0 126.4 19 -2.8 59 -1.5 0 0.0 0 0.0 15 57
58 A 76 PHE F E E A F S+ 0 42 -91.5 71.6 -174.9 12.0 78.2 124.8 42 -2.7 42 -0.5 0 0.0 0 0.0 13 54
59 A 77 GLY G S S S- 0 0 155.8 -166.8 177.4 -30.6 108.2 166.9 57 -1.5 0 0.0 0 0.0 0 0.0 9 44
60 A 78 ASN N g > T - 0 0 -85.4 130.6 179.6 -138.3 46.5 138.0 0 0.0 63 -1.4 0 0.0 0 0.0 8 31
61 A 79 ASP D G G > TS+ 0 0 -60.3 -24.1 -174.3 89.2 86.7 48.7 0 0.0 64 -2.5 0 0.0 0 0.0 10 42
62 A 80 LYS K G G 3 TS+ 0 0 -53.2 -20.5 -177.8 57.1 82.5 44.6 0 0.0 0 0.0 0 0.0 0 0.0 5 28
63 A 81 LEU L G G < TS+ 0 0 -89.1 -4.0 -177.4 74.8 96.0 59.2 60 -1.4 0 0.0 0 0.0 0 0.0 7 31
64 A 82 ILE I g < T - 0 0 -112.5 128.0 -179.9 -179.9 60.9 162.5 61 -2.5 0 0.0 0 0.0 0 0.0 10 40
65 A 83 LYS K t > T - 0 0 -122.3 160.6 175.6 -81.5 42.7 145.9 0 0.0 68 -2.2 0 0.0 0 0.0 9 35
66 A 84 GLU E T T 3 TS+ 0 0 -54.0 134.2 -178.9 27.5 120.9 111.6 0 0.0 0 0.0 0 0.0 0 0.0 9 31
67 A 85 GLY G T T 3 TS+ 0 0 94.7 -16.6 178.6 144.8 82.9 76.1 13 -3.4 0 0.0 0 0.0 0 0.0 7 32
68 A 86 ASP D e < T - 0 0 -61.9 135.5 180.0 -116.2 53.6 107.2 65 -2.2 13 -1.8 0 0.0 0 0.0 10 40
69 A 87 ILE I E E AA - 12 0 -71.8 138.7 -179.4 -166.5 31.0 126.0 0 0.0 38 -1.4 0 0.0 0 0.0 10 43
70 A 88 VAL V E E AAE - 11 37 -124.3 140.4 177.7 -163.7 8.9 169.6 11 -2.0 11 -2.2 0 0.0 0 0.0 13 56
71 A 89 LYS K E E AAE - 10 36 -134.0 160.2 168.4 -127.2 26.6 161.8 36 -2.7 36 -2.2 0 0.0 0 0.0 11 49
72 A 90 ARG R e + 0 0 -81.7 147.0 -175.8 174.6 29.2 124.1 9 -2.5 0 0.0 0 0.0 0 0.0 12 43
73 A 91 THR T - 0 0 -141.8 5.9 -177.1 -100.5 53.9 75.3 0 0.0 0 0.0 0 0.0 0 0.0 6 32
74 A 92 GLY G + 0 0 77.1 19.5 -179.4 169.9 64.1 48.2 0 0.0 0 0.0 0 0.0 0 0.0 4 27
75 A 93 ALA A - 0 0 -70.5 142.7 173.7 -155.3 23.9 107.0 0 0.0 0 0.0 0 0.0 0 0.0 8 33
76 A 94 ILE I - 0 0 -109.5 136.9 178.0 -127.8 20.1 158.0 0 0.0 78 -1.3 0 0.0 0 0.0 7 33
77 A 95 VAL V e + 0 0 -87.3 93.5 -178.9 131.4 60.8 142.2 0 0.0 111 -2.2 0 0.0 0 0.0 9 47
78 A 96 ASP D E E BG - 110 0 -136.0 169.9 176.2 -142.9 42.9 152.9 76 -1.3 0 0.0 0 0.0 0 0.0 10 45
79 A 97 VAL V E E BG - 109 0 -130.2 159.6 171.2 -95.1 30.4 158.9 109 -2.5 109 -2.1 0 0.0 0 0.0 13 50
80 A 98 PRO P E E BG - 108 0 -66.1 142.1 179.3 -178.0 45.7 113.2 0 0.0 0 0.0 0 0.0 0 0.0 13 46
81 A 99 VAL V e + 0 0 -139.0 165.6 -179.7 81.7 25.6 156.4 107 -2.0 0 0.0 0 0.0 0 0.0 14 57
82 A 100 GLY G S g > TS- 0 0 122.9 170.6 -177.7 -60.5 89.4 122.2 0 0.0 85 -1.8 0 0.0 0 0.0 11 49
83 A 101 GLU E G G > TS+ 0 0 -66.2 -13.8 179.2 80.3 116.3 44.4 0 0.0 86 -1.5 0 0.0 0 0.0 5 47
84 A 102 GLU E G G 3 TS+ 0 0 -66.3 -17.9 -177.6 61.9 83.7 55.8 0 0.0 0 0.0 0 0.0 0 0.0 8 40
85 A 103 LEU L G G X TS+ 0 0 -83.4 -16.0 179.4 110.9 76.3 50.9 82 -1.8 88 -2.1 0 0.0 0 0.0 13 55
86 A 104 LEU L T g < TS+ 0 0 -57.7 132.7 179.7 18.0 84.5 112.1 83 -1.5 0 0.0 0 0.0 0 0.0 10 60
87 A 105 GLY G T T 3 TS+ 0 0 89.5 -8.9 -177.5 111.5 106.8 73.6 211 -2.5 0 0.0 208 -0.9 0 0.0 10 53
88 A 106 ARG R e < T - 0 0 -104.3 154.8 174.4 -142.4 60.0 130.9 85 -2.1 213 -2.3 0 0.0 90 -0.6 12 51
89 A 107 VAL V E E Ch + 213 0 -111.8 119.6 177.9 175.9 30.7 166.6 0 0.0 97 -2.6 0 0.0 98 -0.8 12 59
90 A 108 VAL V E E ChA - 214 96 -122.1 160.5 175.1 -120.3 26.8 143.1 213 -3.2 215 -3.6 88 -0.6 0 0.0 14 59
91 A 109 ASP D t > T - 0 0 -80.6 -172.9 -175.6 -73.5 55.5 96.7 95 -2.2 94 -1.7 0 0.0 0 0.0 12 63
92 A 110 ALA A T T 3 TS+ 0 0 -62.2 -25.7 -179.1 45.2 132.4 43.8 0 0.0 0 0.0 0 0.0 0 0.0 14 65
93 A 111 LEU L T T 3 TS- 0 0 -103.5 16.0 176.0 -97.0 122.0 81.7 0 0.0 0 0.0 0 0.0 0 0.0 10 59
94 A 112 GLY G S t < TS+ 0 0 82.8 10.2 171.4 144.2 73.6 54.8 91 -1.7 0 0.0 0 0.0 0 0.0 10 60
95 A 113 ASN N - 0 0 -77.0 140.2 176.4 -108.5 56.8 133.6 0 0.0 91 -2.2 0 0.0 0 0.0 9 45
96 A 114 ALA A B B A + 90 0 -70.4 131.9 178.9 171.8 38.8 109.5 0 0.0 0 0.0 0 0.0 0 0.0 13 35
97 A 115 ILE I + 0 0 -124.3 10.9 178.6 80.4 63.7 75.6 89 -2.6 0 0.0 0 0.0 0 0.0 8 34
98 A 116 ASP D S S S- 0 0 -96.4 1.6 -179.5 -119.8 99.9 67.4 89 -0.8 0 0.0 0 0.0 0 0.0 8 37
99 A 117 GLY G S S S+ 0 0 71.0 14.5 179.9 119.4 80.6 53.6 0 0.0 0 0.0 0 0.0 0 0.0 5 20
100 A 118 LYS K S S S- 0 0 -97.4 22.1 178.4 -114.5 75.3 85.0 0 0.0 0 0.0 0 0.0 0 0.0 6 23
101 A 119 GLY G - 0 0 82.4 -171.8 -176.9 -4.2 60.9 96.0 0 0.0 0 0.0 0 0.0 0 0.0 6 19
102 A 120 PRO P - 0 0 -58.7 142.5 171.1 -125.9 57.6 97.2 0 0.0 0 0.0 0 0.0 0 0.0 6 27
103 A 121 ILE I - 0 0 -76.4 127.6 -174.9 -145.8 26.7 142.2 0 0.0 105 -0.8 0 0.0 0 0.0 10 34
104 A 122 GLY G + 0 0 -96.0 55.1 -171.6 164.6 36.7 107.2 0 0.0 0 0.0 0 0.0 0 0.0 5 25
105 A 123 SER S - 0 0 -73.8 155.4 179.7 -168.7 31.3 111.9 103 -0.8 0 0.0 0 0.0 0 0.0 10 30
106 A 124 LYS K + 0 0 -126.4 21.0 173.4 56.0 69.9 87.5 0 0.0 0 0.0 0 0.0 0 0.0 7 21
107 A 125 ALA A e - 0 0 -150.2 148.8 179.7 -167.8 58.8 166.9 0 0.0 81 -2.0 0 0.0 0 0.0 7 32
108 A 126 ARG R E E BG - 80 0 -132.2 156.0 -178.2 -164.4 4.1 152.1 0 0.0 0 0.0 0 0.0 0 0.0 9 36
109 A 127 ARG R E E BG - 79 0 -146.1 144.1 -178.1 -107.0 27.0 172.4 79 -2.1 79 -2.5 0 0.0 0 0.0 10 41
110 A 128 ARG R E E BG - 78 0 -68.0 150.0 179.5 -141.3 19.5 113.1 0 0.0 0 0.0 0 0.0 0 0.0 10 39
111 A 129 VAL V S e S+ 0 0 -81.2 -30.1 -178.4 56.9 92.6 36.1 77 -2.2 113 -0.8 0 0.0 0 0.0 12 49
112 A 130 GLY G S S S+ 0 0 -102.1 101.0 -179.9 140.2 71.7 151.1 0 0.0 0 0.0 0 0.0 0 0.0 6 48
113 A 131 LEU L - 0 0 -139.3 147.8 -179.6 -102.3 53.2 164.2 111 -0.8 0 0.0 0 0.0 0 0.0 5 40
114 A 132 LYS K - 0 0 -71.1 147.4 176.9 -109.6 38.6 117.5 0 0.0 0 0.0 0 0.0 0 0.0 6 32
115 A 133 ALA A - 0 0 -68.0 155.7 172.8 -86.5 44.3 111.4 0 0.0 0 0.0 0 0.0 0 0.0 8 44
116 A 134 PRO P - 0 0 -57.5 139.2 177.8 -127.3 52.8 113.9 0 0.0 0 0.0 0 0.0 0 0.0 10 41
117 A 135 GLY G - 0 0 -76.0 -165.7 -177.4 -75.8 34.3 80.6 0 0.0 0 0.0 0 0.0 0 0.0 6 26
118 A 136 ILE I S t > TS+ 0 0 -64.3 -37.3 -171.2 56.9 118.2 36.1 0 0.0 121 -0.6 0 0.0 0 0.0 5 20
119 A 137 ILE I T T 3 TS+ 0 0 -74.4 -51.3 -175.8 56.4 94.2 21.1 0 0.0 0 0.0 0 0.0 0 0.0 5 21
120 A 138 PRO P T T 3 TS+ 0 0 -69.4 15.1 -175.9 86.6 95.5 75.5 0 0.0 295 -2.5 0 0.0 0 0.0 10 30
121 A 139 ARG R B B B < T - 294 0 -113.8 163.3 172.0 -162.0 54.5 143.4 118 -0.6 0 0.0 0 0.0 0 0.0 11 36
122 A 140 ILE I - 0 0 -141.6 154.5 -174.7 -75.2 42.9 161.1 293 -1.6 0 0.0 0 0.0 0 0.0 7 34
123 A 141 SER S - 0 0 -54.0 144.8 -179.9 -103.1 51.5 95.9 0 0.0 0 0.0 0 0.0 0 0.0 5 39
124 A 142 VAL V + 0 0 -67.3 125.6 -173.7 143.5 60.2 122.5 0 0.0 0 0.0 0 0.0 0 0.0 12 48
125 A 143 ARG R + 0 0 -145.9 -13.9 178.6 93.7 36.1 63.3 0 0.0 0 0.0 0 0.0 0 0.0 9 41
126 A 144 GLU E S e S- 0 0 -93.9 133.1 -179.2 -114.5 76.5 140.5 0 0.0 143 -2.7 0 0.0 0 0.0 9 52
127 A 145 PRO P E E DI - 142 0 -62.2 137.0 170.4 -159.2 16.0 109.6 0 0.0 129 -0.7 0 0.0 0 0.0 11 60
128 A 146 MET M E E DI - 141 0 -115.1 93.3 -172.5 -152.4 25.3 163.4 141 -2.9 141 -0.5 0 0.0 0 0.0 9 75
129 A 147 GLN Q - 0 0 -75.6 121.3 178.0 -176.4 23.8 129.6 127 -0.7 0 0.0 0 0.0 0 0.0 13 72
130 A 148 THR T - 0 0 -87.9 -16.4 -175.4 -130.3 37.4 43.6 0 0.0 0 0.0 0 0.0 0 0.0 12 74
131 A 149 GLY G S S S+ 0 0 77.7 5.0 179.9 123.1 72.1 54.0 0 0.0 412 -2.7 0 0.0 133 -0.6 14 54
132 A 150 ILE I h > T - 0 0 -104.9 119.3 -172.7 -147.9 58.3 156.6 0 0.0 136 -2.8 0 0.0 0 0.0 13 63
133 A 151 LYS K H H > TS+ 0 0 -56.9 -49.8 -176.2 52.4 93.4 31.0 131 -0.6 137 -1.8 0 0.0 0 0.0 11 70
134 A 152 ALA A H H > TS+ 0 0 -58.7 -35.0 180.0 38.3 119.0 23.9 0 0.0 138 -1.8 0 0.0 0 0.0 12 74
135 A 153 VAL V H H > TS+ 0 0 -78.0 -59.5 -176.7 49.2 113.8 16.4 0 0.0 139 -2.1 0 0.0 0 0.0 11 79
136 A 154 ASP D H H < TS+ 0 0 -56.0 -26.8 177.4 35.4 123.5 37.4 132 -2.8 0 0.0 0 0.0 0 0.0 14 70
137 A 155 SER S H H < TS+ 0 0 -93.9 -43.5 -172.2 15.7 134.6 25.7 133 -1.8 0 0.0 0 0.0 0 0.0 11 66
138 A 156 LEU L H H < TS+ 0 0 -112.9 -11.4 177.1 29.7 134.6 50.5 134 -1.8 0 0.0 0 0.0 0 0.0 10 64
139 A 157 VAL V S h < TS- 0 0 -138.6 55.2 -167.1 -172.4 84.8 117.7 135 -2.1 0 0.0 0 0.0 0 0.0 14 61
140 A 158 PRO P - 0 0 -63.8 142.2 -177.4 -146.2 10.3 102.5 0 0.0 357 -0.5 0 0.0 0 0.0 16 67
141 A 159 ILE I E E DI - 128 0 -115.0 137.1 179.5 -160.6 9.1 156.1 128 -0.5 128 -2.9 0 0.0 0 0.0 16 68
142 A 160 GLY G E E DI > T - 127 0 -110.8 165.9 -176.4 -85.2 36.3 132.0 0 0.0 145 -1.8 0 0.0 0 0.0 16 64
143 A 161 ARG R T e 3 TS+ 0 0 -78.2 122.8 -174.2 20.2 117.0 125.6 126 -2.7 0 0.0 0 0.0 0 0.0 16 69
144 A 162 GLY G T T 3 TS+ 0 0 99.3 -2.7 175.2 127.1 96.9 76.8 0 0.0 0 0.0 0 0.0 0 0.0 12 73
145 A 163 GLN Q t < T - 0 0 -76.3 166.1 172.8 -138.0 55.6 107.9 142 -1.8 305 -2.6 0 0.0 0 0.0 15 69
146 A 164 ARG R B e c + 305 0 -124.4 110.2 -176.9 178.0 26.7 167.0 0 0.0 329 -2.2 0 0.0 330 -0.8 13 67
147 A 165 GLU E E E Cj - 330 0 -121.5 121.1 -174.9 -136.5 20.1 167.2 305 -2.4 0 0.0 0 0.0 0 0.0 14 72
148 A 166 LEU L E E Cj - 331 0 -81.0 142.6 171.0 -154.8 5.3 127.1 330 -3.0 332 -3.4 0 0.0 150 -0.6 15 70
149 A 167 ILE I E E Cjk + 332 308 -108.3 110.8 -173.0 169.9 31.6 162.5 307 -2.6 309 -2.7 0 0.0 0 0.0 13 72
150 A 168 ILE I E E Cjk + 333 309 -134.3 140.4 174.1 102.7 11.0 170.9 332 -2.3 334 -2.4 148 -0.6 0 0.0 13 67
151 A 169 GLY G E E C k - 0 310 171.9 175.0 179.2 -62.3 62.2 155.3 309 -1.6 311 -1.5 0 0.0 0 0.0 14 57
152 A 170 ASP D S t > TS- 0 0 -67.2 166.2 175.1 -67.4 72.4 91.9 0 0.0 155 -1.1 0 0.0 0 0.0 13 44
153 A 171 ARG R T T 3 TS+ 0 0 -50.5 144.8 172.2 16.6 119.7 105.9 0 0.0 0 0.0 0 0.0 0 0.0 7 39
154 A 172 GLN Q T T 3 TS+ 0 0 64.0 28.8 177.7 119.1 85.9 41.9 0 0.0 0 0.0 0 0.0 0 0.0 6 37
155 A 173 THR T S t < TS- 0 0 -99.7 -9.0 179.6 -92.7 91.1 52.1 152 -1.1 346 -0.5 0 0.0 0 0.0 11 43
156 A 174 GLY G S h > TS+ 0 0 112.2 16.4 -174.6 136.1 78.5 50.7 0 0.0 160 -1.5 0 0.0 0 0.0 9 51
157 A 175 LYS K H H > TS+ 0 0 -64.2 -54.2 -177.8 42.8 76.1 15.2 0 0.0 161 -1.5 0 0.0 0 0.0 12 59
158 A 176 THR T H H > TS+ 0 0 -61.7 -38.7 -178.2 57.8 110.8 29.4 0 0.0 162 -2.3 0 0.0 0 0.0 8 64
159 A 177 SER S H H > TS+ 0 0 -61.8 -36.6 176.0 54.4 101.9 35.4 0 0.0 163 -2.2 0 0.0 0 0.0 8 62
160 A 178 ILE I H H X TS+ 0 0 -59.7 -47.3 -177.7 46.6 111.1 24.1 156 -1.5 164 -1.6 0 0.0 0 0.0 10 71
161 A 179 ALA A H H X TS+ 0 0 -64.4 -40.6 -176.9 49.4 112.4 29.4 157 -1.5 165 -1.9 0 0.0 0 0.0 10 77
162 A 180 ILE I H H X TS+ 0 0 -69.4 -42.3 176.9 49.4 109.4 24.9 158 -2.3 166 -2.8 0 0.0 0 0.0 10 65
163 A 181 ASP D H H X TS+ 0 0 -62.4 -34.4 177.0 54.8 109.2 30.6 159 -2.2 167 -2.4 0 0.0 0 0.0 15 56
164 A 182 THR T H H X TS+ 0 0 -63.4 -43.8 -179.2 44.4 110.9 22.4 160 -1.6 168 -0.7 0 0.0 0 0.0 13 71
165 A 183 ILE I H H < > TS+ 0 0 -65.8 -46.2 177.5 51.5 112.7 23.2 161 -1.9 168 -1.1 0 0.0 0 0.0 12 68
166 A 184 ILE I H H < > TS+ 0 0 -56.5 -36.6 -177.6 62.5 103.0 26.7 162 -2.8 169 -1.4 0 0.0 0 0.0 13 54
167 A 185 ASN N H H < > TS+ 0 0 -63.4 -33.6 -171.0 69.4 86.9 45.1 163 -2.4 170 -1.2 0 0.0 0 0.0 13 56
168 A 186 GLN Q T h X X TS+ 0 0 -67.5 -15.1 176.1 85.6 75.5 51.0 165 -1.1 172 -3.1 164 -0.7 171 -1.6 13 60
169 A 187 LYS K H H > < TS+ 0 0 -50.0 -37.0 -178.6 62.1 80.9 28.9 166 -1.4 173 -2.4 0 0.0 0 0.0 10 49
170 A 188 ARG R H H 4 < TS+ 0 0 -65.8 -21.7 179.0 34.6 114.1 41.6 167 -1.2 0 0.0 0 0.0 0 0.0 7 41
171 A 189 PHE F H H 4 X TS+ 0 0 -96.9 -40.5 -176.4 54.1 114.5 28.6 168 -1.6 174 -1.1 0 0.0 0 0.0 11 38
172 A 190 ASN N H H < 3 TS+ 0 0 -66.4 -24.7 176.4 45.6 112.8 37.3 168 -3.1 0 0.0 0 0.0 0 0.0 11 37
173 A 191 ASP D T h < 3 TS+ 0 0 -89.1 -9.4 -179.0 88.1 104.5 51.5 169 -2.4 0 0.0 0 0.0 0 0.0 6 26
174 A 192 GLY G S t < TS- 0 0 -74.5 -168.2 179.5 -123.9 81.5 79.2 171 -1.1 0 0.0 0 0.0 0 0.0 8 19
175 A 193 THR T S S S+ 0 0 -124.8 -0.5 172.8 100.1 80.1 67.4 0 0.0 177 -0.9 0 0.0 0 0.0 6 13
176 A 194 ASP D g > T - 0 0 -87.4 106.9 -175.6 -164.8 56.9 146.1 0 0.0 179 -1.0 0 0.0 0 0.0 7 18
177 A 195 GLU E G G > TS+ 0 0 -59.3 -44.1 179.1 58.7 80.5 33.5 175 -0.9 180 -1.1 0 0.0 0 0.0 6 26
178 A 196 LYS K G G 3 TS+ 0 0 -62.2 -21.9 -179.1 55.8 101.4 56.0 0 0.0 0 0.0 0 0.0 0 0.0 6 39
179 A 197 LYS K G G < TS+ 0 0 -90.8 -9.9 -179.7 112.1 82.5 58.6 176 -1.0 0 0.0 0 0.0 0 0.0 7 46
180 A 198 LYS K g < T - 0 0 -66.1 153.5 -173.8 -165.9 48.4 101.8 177 -1.1 0 0.0 0 0.0 0 0.0 12 48
181 A 199 LEU L - 0 0 -150.2 115.0 179.0 -151.9 10.8 148.6 0 0.0 0 0.0 0 0.0 0 0.0 12 68
182 A 200 TYR Y E E Cl - 246 0 -91.3 135.8 -172.0 -144.8 21.1 130.5 245 -2.6 247 -2.8 0 0.0 0 0.0 10 72
183 A 201 CYS C E E Clm - 247 211 -111.4 144.5 177.5 -171.4 16.8 137.7 210 -2.5 212 -2.5 0 0.0 0 0.0 13 79
184 A 202 ILE I E E Clm - 248 212 -130.7 121.7 180.0 -165.6 6.2 171.1 247 -2.2 249 -2.6 0 0.0 186 -0.6 15 76
185 A 203 TYR Y E E Clm - 249 213 -111.6 115.1 178.7 -160.9 6.8 161.6 212 -3.3 214 -2.5 0 0.0 187 -0.7 13 76
186 A 204 VAL V E E Clm - 250 214 -99.9 121.6 177.8 -162.6 2.0 156.0 249 -2.9 251 -2.9 184 -0.6 188 -0.6 16 78
187 A 205 ALA A E E Clm - 251 215 -98.4 118.4 -179.7 -178.1 10.4 154.5 214 -2.5 216 -2.9 185 -0.7 0 0.0 15 70
188 A 206 ILE I E E C m - 0 216 -124.0 119.0 175.4 -11.4 65.9 167.7 251 -2.0 0 0.0 186 -0.6 0 0.0 17 59
189 A 207 GLY G S e S+ 0 0 78.1 5.3 -178.8 132.5 94.1 61.1 216 -2.8 0 0.0 0 0.0 0 0.0 13 49
190 A 208 GLN Q - 0 0 -83.2 170.8 175.2 -99.4 63.0 105.3 0 0.0 218 -2.5 0 0.0 0 0.0 10 49
191 A 209 LYS K h > T - 0 0 -88.5 155.4 -175.4 -117.6 30.3 131.2 0 0.0 195 -1.3 0 0.0 0 0.0 9 28
192 A 210 ARG R H H > TS+ 0 0 -62.3 -39.0 -178.5 54.4 110.5 35.6 0 0.0 196 -2.2 0 0.0 0 0.0 8 31
193 A 211 SER S H H > TS+ 0 0 -70.2 -23.8 172.5 54.7 105.8 35.1 0 0.0 197 -2.4 0 0.0 0 0.0 6 23
194 A 212 THR T H H > TS+ 0 0 -69.4 -39.1 -178.9 48.0 108.6 28.0 0 0.0 198 -2.2 0 0.0 0 0.0 8 31
195 A 213 VAL V H H X TS+ 0 0 -68.0 -40.7 175.3 50.8 111.2 22.9 191 -1.3 199 -2.7 0 0.0 0 0.0 11 45
196 A 214 ALA A H H X TS+ 0 0 -62.3 -40.0 173.9 52.0 108.5 25.8 192 -2.2 200 -2.6 0 0.0 0 0.0 8 38
197 A 215 GLN Q H H X TS+ 0 0 -57.6 -45.0 178.1 47.0 112.1 19.9 193 -2.4 201 -2.3 0 0.0 0 0.0 8 28
198 A 216 LEU L H H X TS+ 0 0 -63.4 -43.7 179.0 49.2 111.7 24.9 194 -2.2 202 -2.5 0 0.0 0 0.0 8 51
199 A 217 VAL V H H X TS+ 0 0 -63.5 -40.5 178.7 52.5 109.7 25.6 195 -2.7 203 -2.9 0 0.0 0 0.0 9 50
200 A 218 LYS K H H X TS+ 0 0 -59.9 -45.4 -179.6 49.9 109.5 19.7 196 -2.6 204 -2.8 0 0.0 0 0.0 8 31
201 A 219 ARG R H H X TS+ 0 0 -61.6 -42.8 179.7 45.4 112.8 21.2 197 -2.3 205 -1.5 0 0.0 0 0.0 8 38
202 A 220 LEU L H H < >TS+ 0 0 -66.9 -42.4 179.3 51.6 112.8 22.7 198 -2.5 207 -3.2 0 0.0 208 -0.8 12 47
203 A 221 THR T H H < >5TS+ 0 0 -60.6 -45.9 176.6 48.0 109.7 25.7 199 -2.9 206 -1.5 0 0.0 0 0.0 10 33
204 A 222 ASP D H H < 35TS+ 0 0 -63.7 -31.0 178.3 50.4 112.4 36.6 200 -2.8 0 0.0 0 0.0 0 0.0 7 25
205 A 223 ALA A T h < 35TS- 0 0 -82.8 -1.0 -175.9 -124.1 112.8 66.1 201 -1.5 0 0.0 0 0.0 0 0.0 8 34
206 A 224 ASP D T T <5TS+ 0 0 56.8 37.5 175.2 120.1 79.6 28.1 203 -1.5 0 0.0 0 0.0 0 0.0 9 35
207 A 225 ALA A g > TS+ 0 0 -56.2 -35.4 -179.6 71.4 77.6 31.2 202 -0.8 211 -2.3 0 0.0 87 -0.9 13 49
209 A 227 LYS K G G 3 TS+ 0 0 -56.4 -23.2 178.7 32.8 108.4 47.8 0 0.0 0 0.0 0 0.0 0 0.0 8 42
210 A 228 TYR Y G e < TS+ 0 0 -118.2 27.9 -172.7 88.5 109.0 80.5 207 -1.7 183 -2.5 0 0.0 0 0.0 11 54
211 A 229 THR T E E C m< T - 0 183 -132.2 140.3 175.2 -155.7 55.3 163.4 208 -2.3 87 -2.5 0 0.0 0 0.0 15 65
212 A 230 ILE I E E C m - 0 184 -111.8 126.8 174.9 -156.6 11.3 161.1 183 -2.5 185 -3.3 0 0.0 214 -0.6 14 73
213 A 231 VAL V E E Chm - 89 185 -105.8 115.9 178.8 -171.8 8.1 159.2 88 -2.3 90 -3.2 0 0.0 215 -0.6 12 78
214 A 232 VAL V E E Chm - 90 186 -106.5 115.7 -171.5 -170.6 14.3 164.1 185 -2.5 187 -2.5 212 -0.6 216 -0.5 15 70
215 A 233 SER S E E C m + 0 187 -128.2 126.8 178.1 165.4 29.0 159.9 90 -3.6 0 0.0 213 -0.6 0 0.0 13 64
216 A 234 ALA A E E C m - 0 188 -131.0 91.5 -169.6 -165.7 32.7 148.2 187 -2.9 189 -2.8 214 -0.5 0 0.0 15 59
217 A 235 THR T t > T - 0 0 -85.8 -179.3 -168.0 -82.9 34.6 88.8 0 0.0 220 -2.2 0 0.0 0 0.0 12 52
218 A 236 ALA A T T 3 TS+ 0 0 -60.4 -30.5 178.0 46.4 124.5 49.5 190 -2.5 0 0.0 0 0.0 0 0.0 9 41
219 A 237 SER S T T 3 TS+ 0 0 -90.3 -1.4 177.3 105.0 89.2 64.1 0 0.0 0 0.0 0 0.0 0 0.0 6 35
220 A 238 ASP D S t < TS- 0 0 -78.0 145.9 -178.9 -94.0 87.1 125.9 217 -2.2 0 0.0 0 0.0 0 0.0 10 48
221 A 239 ALA A h > > T - 0 0 -55.8 149.2 -177.5 -108.3 36.5 95.9 0 0.0 224 -1.6 0 0.0 225 -1.4 11 51
222 A 240 ALA A H H > 3 TS+ 0 0 -48.6 -46.3 177.9 59.0 114.9 36.7 0 0.0 226 -2.6 0 0.0 0 0.0 11 53
223 A 241 PRO P H H > 3 TS+ 0 0 -58.2 -30.9 178.2 52.0 104.1 33.8 0 0.0 227 -1.7 0 0.0 0 0.0 12 62
224 A 242 LEU L H H > < TS+ 0 0 -74.2 -35.0 177.2 49.2 109.4 22.7 221 -1.6 228 -2.4 0 0.0 0 0.0 12 61
225 A 243 GLN Q H H < TS+ 0 0 -65.2 -40.0 176.3 52.3 110.4 25.0 221 -1.4 0 0.0 0 0.0 0 0.0 17 59
226 A 244 TYR Y H H < TS+ 0 0 -59.0 -43.0 -172.8 40.8 115.0 30.6 222 -2.6 0 0.0 0 0.0 0 0.0 11 65
227 A 245 LEU L H H X > TS+ 0 0 -79.0 -35.4 -174.6 85.0 91.4 36.6 223 -1.7 231 -2.5 0 0.0 230 -0.8 10 71
228 A 246 ALA A H H X 3 TS+ 0 0 -39.6 -46.7 -179.3 51.0 88.4 38.1 224 -2.4 232 -2.2 0 0.0 0 0.0 17 69
229 A 247 PRO P H H > 3 TS+ 0 0 -64.1 -37.3 179.8 45.0 114.1 24.4 0 0.0 233 -2.2 0 0.0 0 0.0 12 76
230 A 248 TYR Y H H > < TS+ 0 0 -71.7 -37.4 179.9 54.8 110.7 24.8 227 -0.8 234 -2.2 0 0.0 0 0.0 10 71
231 A 249 SER S H H X TS+ 0 0 -62.6 -41.6 -177.4 42.2 112.4 25.6 227 -2.5 235 -1.2 0 0.0 0 0.0 14 67
232 A 250 GLY G H H X TS+ 0 0 -74.4 -37.3 179.8 58.9 108.9 29.9 228 -2.2 236 -2.0 0 0.0 0 0.0 14 75
233 A 251 CYS C H H X TS+ 0 0 -55.5 -45.0 -177.6 50.9 104.6 23.9 229 -2.2 237 -2.3 0 0.0 0 0.0 12 79
234 A 252 SER S H H X TS+ 0 0 -64.1 -34.1 178.0 54.1 107.3 28.0 230 -2.2 238 -1.1 0 0.0 0 0.0 13 68
235 A 253 MET M H H X TS+ 0 0 -65.7 -33.1 179.2 46.5 110.3 29.3 231 -1.2 239 -0.6 0 0.0 0 0.0 14 74
236 A 254 GLY G H H X TS+ 0 0 -75.8 -30.4 178.1 61.2 104.8 35.6 232 -2.0 240 -2.5 0 0.0 0 0.0 14 75
237 A 255 GLU E H H X TS+ 0 0 -66.5 -28.2 174.4 67.8 91.0 41.3 233 -2.3 241 -2.6 0 0.0 0 0.0 10 65
238 A 256 TYR Y H H < TS+ 0 0 -54.6 -45.9 178.3 36.8 109.3 22.4 234 -1.1 0 0.0 0 0.0 0 0.0 10 60
239 A 257 PHE F H H < >>TS+ 0 0 -72.6 -41.9 -177.8 57.5 114.0 24.5 235 -0.6 244 -2.3 0 0.0 242 -1.3 16 53
240 A 258 ARG R H H < >5TS+ 0 0 -53.4 -47.0 -170.9 42.8 110.1 28.3 236 -2.5 243 -0.5 0 0.0 0 0.0 16 57
241 A 259 ASP D T h < 35TS+ 0 0 -84.0 -5.2 -180.0 59.5 107.9 62.3 237 -2.6 0 0.0 0 0.0 0 0.0 12 49
242 A 260 ASN N T T <5TS- 0 0 -114.9 40.5 177.2 -87.9 123.5 108.8 239 -1.3 0 0.0 0 0.0 0 0.0 8 36
243 A 261 GLY G T T <5TS+ 0 0 63.4 21.7 173.6 113.0 94.0 48.4 240 -0.5 0 0.0 0 0.0 0 0.0 11 39
244 A 262 LYS K e T - 186 307 -113.1 99.3 -173.5 -154.0 14.8 159.1 306 -1.3 308 -2.6 0 0.0 253 -0.8 14 75
251 A 269 ASP D E E Cl 3 TS+ 187 0 -122.4 90.4 3.8 0.7 74.4 147.5 186 -2.9 188 -2.0 249 -0.6 0 0.0 12 74
252 A 270 ASP D T h > 3 T + 0 0 -136.6 166.5 179.7 173.2 49.6 56.4 0 0.0 256 -1.1 0 0.0 0 0.0 14 70
253 A 271 LEU L H H > < TS+ 0 0 -75.6 -20.8 179.6 68.4 88.0 45.3 308 -2.1 257 -2.1 250 -0.8 0 0.0 12 75
254 A 272 SER S H H > TS+ 0 0 -62.4 -40.1 -179.5 45.2 103.6 24.0 308 -0.6 258 -1.6 0 0.0 0 0.0 10 65
255 A 273 LYS K H H > TS+ 0 0 -73.7 -31.8 179.3 56.0 108.7 32.7 0 0.0 259 -1.9 0 0.0 0 0.0 10 57
256 A 274 GLN Q H H X TS+ 0 0 -67.7 -42.5 178.3 49.7 106.8 25.3 252 -1.1 260 -2.0 0 0.0 0 0.0 12 63
257 A 275 ALA A H H X TS+ 0 0 -63.8 -33.3 176.7 55.4 107.5 31.3 253 -2.1 261 -2.2 0 0.0 0 0.0 12 62
258 A 276 VAL V H H X TS+ 0 0 -64.4 -42.6 178.1 47.8 108.3 27.2 254 -1.6 262 -2.2 0 0.0 0 0.0 8 54
259 A 277 ALA A H H X TS+ 0 0 -63.6 -43.7 178.5 48.7 112.4 26.4 255 -1.9 263 -1.7 0 0.0 0 0.0 12 53
260 A 278 TYR Y H H X TS+ 0 0 -63.0 -43.8 176.7 52.4 109.9 27.9 256 -2.0 264 -2.6 0 0.0 0 0.0 12 59
261 A 279 ARG R H H X TS+ 0 0 -57.8 -44.1 178.1 56.1 104.8 29.3 257 -2.2 265 -2.8 0 0.0 0 0.0 11 46
262 A 280 GLN Q H H X TS+ 0 0 -54.1 -49.9 -177.5 42.7 111.9 19.3 258 -2.2 266 -2.2 0 0.0 0 0.0 9 47
263 A 281 MET M H H X TS+ 0 0 -63.1 -45.2 -178.2 50.6 114.0 19.0 259 -1.7 267 -1.3 0 0.0 0 0.0 12 53
264 A 282 SER S H H < >>TS+ 0 0 -59.2 -52.1 -179.3 44.5 113.0 22.4 260 -2.6 269 -2.7 0 0.0 267 -0.7 12 48
265 A 283 LEU L H H < >5TS+ 0 0 -61.9 -39.5 -179.8 51.3 113.2 29.6 261 -2.8 268 -1.0 0 0.0 0 0.0 12 35
266 A 284 LEU L H H < 35TS+ 0 0 -73.4 -19.9 175.3 50.8 108.0 49.8 262 -2.2 0 0.0 0 0.0 0 0.0 9 38
267 A 285 LEU L T h < <5TS- 0 0 -91.0 4.1 -177.8 -116.9 121.3 88.4 263 -1.3 0 0.0 264 -0.7 0 0.0 9 42
268 A 286 ARG R T T <5T + 0 0 58.7 38.7 170.3 159.4 57.5 37.8 265 -1.0 0 0.0 0 0.0 0 0.0 6 33
269 A 287 ARG R t T - 0 0 -112.6 -149.5 178.6 -13.9 51.5 101.5 276 -2.8 275 -2.5 0 0.0 0 0.0 8 26
273 A 291 ARG R G G > TS+ 0 0 -53.5 137.3 -177.2 2.5 139.1 106.3 0 0.0 276 -2.0 0 0.0 0 0.0 7 24
274 A 292 GLU E G G 3 TS- 0 0 52.4 21.2 -179.6 -73.9 128.4 47.8 0 0.0 0 0.0 0 0.0 0 0.0 6 32
275 A 293 ALA A G G < TS+ 0 0 71.6 7.7 175.7 140.7 95.5 57.9 272 -2.5 0 0.0 0 0.0 0 0.0 8 28
276 A 294 TYR Y g < T - 0 0 -79.0 151.8 -179.1 -112.9 53.4 117.7 273 -2.0 272 -2.8 0 0.0 0 0.0 11 38
277 A 295 PRO P t > T - 0 0 -80.2 163.2 -177.3 -103.5 28.0 113.2 0 0.0 280 -1.7 0 0.0 0 0.0 13 35
278 A 296 GLY G T T 3 TS+ 0 0 -67.6 -9.5 178.3 53.6 116.6 54.5 0 0.0 0 0.0 0 0.0 0 0.0 8 29
279 A 297 ASP D T h > 3 TS+ 0 0 -109.8 17.2 -179.6 102.2 72.7 75.0 0 0.0 283 -1.8 0 0.0 0 0.0 6 36
280 A 298 VAL V H H > < TS+ 0 0 -68.3 -25.2 177.4 55.9 81.5 31.9 277 -1.7 284 -1.5 0 0.0 0 0.0 10 45
281 A 299 PHE F H H > TS+ 0 0 -65.8 -49.4 177.4 46.6 108.5 13.0 0 0.0 285 -2.7 0 0.0 0 0.0 10 41
282 A 300 TYR Y H H > TS+ 0 0 -63.5 -34.7 175.4 64.8 102.2 37.4 0 0.0 286 -2.1 0 0.0 0 0.0 7 38
283 A 301 LEU L H H X TS+ 0 0 -53.7 -46.2 180.0 32.1 114.7 13.7 279 -1.8 287 -1.0 0 0.0 0 0.0 8 54
284 A 302 HIS H H H X TS+ 0 0 -79.8 -36.1 -176.6 57.9 114.8 30.3 280 -1.5 288 -2.7 0 0.0 0 0.0 11 62
285 A 303 SER S H H X TS+ 0 0 -66.2 -41.5 180.0 45.5 108.4 24.6 281 -2.7 289 -2.2 0 0.0 0 0.0 10 49
286 A 304 ARG R H H < TS+ 0 0 -72.5 -28.2 175.9 51.7 113.3 33.2 282 -2.1 0 0.0 0 0.0 0 0.0 10 42
287 A 305 LEU L H H < > TS+ 0 0 -67.3 -49.6 -176.8 40.9 115.3 14.2 283 -1.0 290 -0.9 0 0.0 0 0.0 11 64
288 A 306 LEU L H H < > TS+ 0 0 -74.9 -28.9 173.6 63.9 103.3 43.3 284 -2.7 291 -1.2 0 0.0 0 0.0 11 70
289 A 307 GLU E T h < 3 TS+ 0 0 -67.8 -9.3 176.2 74.0 89.1 45.3 285 -2.2 0 0.0 0 0.0 0 0.0 9 55
290 A 308 ARG R T T < TS+ 0 0 -75.4 -14.6 175.6 89.7 76.9 39.0 287 -0.9 0 0.0 0 0.0 0 0.0 11 59
291 A 309 ALA A t < T + 0 0 -75.7 139.6 -178.2 141.1 63.3 125.9 288 -1.2 0 0.0 0 0.0 0 0.0 14 69
292 A 310 ALA A E E CO - 303 0 -167.7 168.1 174.4 -115.5 54.8 174.3 303 -0.8 303 -2.4 0 0.0 294 -0.5 14 64
293 A 311 LYS K E E CO - 302 0 -113.8 112.0 -175.8 -141.7 39.4 163.9 0 0.0 122 -1.6 0 0.0 0 0.0 16 58
294 A 312 MET M B e B - 121 0 -79.3 155.0 176.0 -118.1 11.5 113.5 301 -3.2 0 0.0 292 -0.5 0 0.0 14 43
295 A 313 ASN N g >>T - 0 0 -79.6 168.2 -175.9 -100.5 34.2 113.7 120 -2.5 300 -2.1 0 0.0 298 -1.0 11 31
296 A 314 ASP D G G >5TS+ 0 0 -61.1 -41.2 176.9 60.2 121.8 25.3 0 0.0 299 -2.3 0 0.0 0 0.0 6 27
297 A 315 ALA A G G 35TS+ 0 0 -54.1 -33.8 -178.6 46.3 108.9 32.6 0 0.0 0 0.0 0 0.0 0 0.0 6 22
298 A 316 PHE F G G <5TS- 0 0 -95.6 9.9 175.5 -86.3 132.5 69.5 295 -1.0 0 0.0 0 0.0 0 0.0 10 30
299 A 317 GLY G T g <5T - 0 0 112.2 -6.4 -177.3 -104.7 47.6 68.6 296 -2.3 0 0.0 0 0.0 0 0.0 11 30
300 A 318 GLY G S t TS- 0 0 -117.8 123.8 -177.8 -19.3 84.1 167.7 0 0.0 315 -1.9 0 0.0 0 0.0 8 31
313 A 331 ALA A T T 3 TS- 0 0 46.6 41.5 170.7 -59.2 123.6 37.0 311 -0.5 0 0.0 0 0.0 0 0.0 5 24
314 A 332 GLY G T T 3 TS+ 0 0 78.6 4.4 -174.7 154.0 89.4 54.4 0 0.0 316 -1.6 0 0.0 0 0.0 8 35
315 A 333 ASP D t X T + 0 0 -77.2 92.6 -179.8 164.7 9.8 121.6 312 -1.9 318 -1.4 0 0.0 0 0.0 7 27
316 A 334 VAL V T T 3 TS+ 0 0 -81.7 -2.8 176.8 62.7 74.5 57.4 314 -1.6 0 0.0 0 0.0 0 0.0 7 39
317 A 335 SER S T T 3 TS+ 0 0 -105.7 12.3 174.2 117.4 75.3 71.6 0 0.0 0 0.0 0 0.0 0 0.0 6 26
318 A 336 ALA A S h > < TS- 0 0 -70.9 168.0 -171.8 -97.4 82.0 103.9 315 -1.4 322 -2.4 0 0.0 0 0.0 8 31
319 A 337 TYR Y H H > TS+ 0 0 -57.4 -62.5 -174.7 39.1 116.5 24.0 0 0.0 323 -1.8 0 0.0 0 0.0 8 41
320 A 338 ILE I H H > TS+ 0 0 -61.3 -38.9 174.8 49.4 118.0 18.5 0 0.0 324 -2.2 0 0.0 0 0.0 9 51
321 A 339 PRO P H H > TS+ 0 0 -63.2 -46.9 -178.4 52.5 108.6 23.5 0 0.0 325 -2.8 0 0.0 0 0.0 12 54
322 A 340 THR T H H X TS+ 0 0 -57.6 -41.2 -177.8 51.0 110.3 25.1 318 -2.4 326 -2.1 0 0.0 0 0.0 10 42
323 A 341 ASN N H H X TS+ 0 0 -61.2 -50.4 -174.4 41.3 113.3 22.4 319 -1.8 327 -1.6 0 0.0 0 0.0 10 47
324 A 342 VAL V H H X TS+ 0 0 -73.4 -33.6 172.5 54.3 112.8 31.3 320 -2.2 328 -1.7 0 0.0 0 0.0 13 54
325 A 343 ILE I H H < TS+ 0 0 -59.5 -48.4 -175.4 47.4 110.4 12.1 321 -2.8 0 0.0 0 0.0 0 0.0 10 50
326 A 344 SER S H H < TS+ 0 0 -66.4 -30.5 -177.7 50.0 112.0 29.5 322 -2.1 0 0.0 0 0.0 0 0.0 6 40
327 A 345 ILE I H H < TS+ 0 0 -72.6 -37.4 -171.6 78.5 99.8 36.5 323 -1.6 0 0.0 0 0.0 0 0.0 8 47
328 A 346 THR T S h < TS- 0 0 -79.1 169.7 -179.3 -124.8 80.0 104.6 324 -1.7 0 0.0 0 0.0 0 0.0 11 56
329 A 347 ASP D S S S- 0 0 -86.0 -12.3 177.3 -26.2 88.3 53.5 146 -2.2 355 -2.3 0 0.0 0 0.0 12 53
330 A 348 GLY G E E Cj - 147 0 176.6 176.9 -176.5 -126.4 61.4 158.8 146 -0.8 148 -3.0 0 0.0 0 0.0 12 55
331 A 349 GLN Q E E Cj - 148 0 -147.6 146.7 173.8 -143.3 7.0 170.3 0 0.0 353 -3.1 0 0.0 333 -0.6 14 57
332 A 350 ILE I E E Cj - 149 0 -108.8 108.7 179.2 -153.9 27.4 163.2 148 -3.4 150 -2.3 0 0.0 0 0.0 15 68
333 A 351 PHE F E E Cj - 150 0 -89.1 122.6 179.2 -165.1 7.8 138.4 331 -0.6 348 -2.5 0 0.0 0 0.0 12 60
334 A 352 LEU L B e D - 347 0 -105.3 149.0 -174.8 -163.8 4.5 147.0 150 -2.4 0 0.0 0 0.0 0 0.0 16 57
335 A 353 GLU E h > T - 0 0 -144.0 132.4 -172.1 -141.9 23.1 171.7 346 -1.6 339 -2.1 0 0.0 0 0.0 13 41
336 A 354 THR T H H > TS+ 0 0 -64.6 -33.3 179.3 56.8 102.7 29.0 0 0.0 340 -2.4 0 0.0 0 0.0 10 31
337 A 355 GLU E H H > TS+ 0 0 -66.3 -46.2 176.0 46.0 108.8 17.3 0 0.0 341 -1.5 0 0.0 0 0.0 6 25
338 A 356 LEU L H H 4 >TS+ 0 0 -57.6 -48.8 176.7 56.0 110.6 20.4 0 0.0 343 -2.4 0 0.0 0 0.0 13 37
339 A 357 PHE F H H < >5TS+ 0 0 -49.3 -54.4 -178.0 40.7 110.6 25.7 335 -2.1 342 -1.3 0 0.0 0 0.0 12 36
340 A 358 TYR Y H H < 35TS+ 0 0 -76.7 -17.2 174.6 63.2 106.8 45.6 336 -2.4 0 0.0 0 0.0 0 0.0 7 23
341 A 359 LYS K T h < 35TS- 0 0 -73.6 -11.3 -175.6 -99.6 126.7 61.9 337 -1.5 0 0.0 0 0.0 0 0.0 6 24
342 A 360 GLY G T T <5TS+ 0 0 103.9 -0.1 176.2 136.0 81.6 68.8 339 -1.3 344 -1.3 0 0.0 0 0.0 6 33
343 A 361 ILE I t > T + 0 0 -88.7 88.0 -176.6 179.9 21.9 142.3 333 -2.5 352 -2.4 0 0.0 351 -0.9 11 55
349 A 367 VAL V T T 4 3 TS+ 0 0 -70.2 -20.7 176.3 62.0 75.4 41.8 347 -1.2 0 0.0 0 0.0 0 0.0 11 57
350 A 368 GLY G T T 4 3 TS+ 0 0 -77.1 -10.8 -179.1 29.9 117.9 49.9 0 0.0 0 0.0 0 0.0 0 0.0 5 43
351 A 369 LEU L T T 4 < TS+ 0 0 -118.2 -22.4 178.6 102.1 95.2 49.2 348 -0.9 0 0.0 0 0.0 0 0.0 6 37
352 A 370 SER S t < T - 0 0 -66.1 154.2 -169.8 -149.0 59.1 99.0 348 -2.4 0 0.0 0 0.0 0 0.0 12 43
353 A 371 VAL V + 0 0 -132.2 144.5 169.3 172.3 28.4 171.8 331 -3.1 0 0.0 0 0.0 0 0.0 10 43
354 A 372 SER S - 0 0 -146.9 102.0 -173.6 -173.1 7.7 142.1 0 0.0 0 0.0 0 0.0 0 0.0 12 53
355 A 373 ARG R S S S+ 0 0 -68.8 -21.0 179.3 54.0 91.1 39.8 329 -2.3 0 0.0 0 0.0 0 0.0 6 38
356 A 374 VAL V S g > TS+ 0 0 -74.9 -43.7 174.0 145.9 82.7 19.0 0 0.0 359 -1.6 0 0.0 0 0.0 12 42
357 A 375 GLY G G G > T + 0 0 53.9 -129.7 -175.5 9.1 65.8 103.2 140 -0.5 360 -2.2 0 0.0 0 0.0 11 49
358 A 376 SER S G G > TS+ 0 0 -57.5 -33.2 -179.6 76.6 114.0 44.1 0 0.0 361 -2.9 0 0.0 0 0.0 8 43
359 A 377 ALA A G G < TS+ 0 0 -53.7 -22.3 178.0 44.8 100.8 45.9 356 -1.6 0 0.0 0 0.0 0 0.0 9 37
360 A 378 ALA A G G < TS+ 0 0 -106.0 16.4 177.3 91.0 99.6 75.3 357 -2.2 0 0.0 0 0.0 0 0.0 15 48
361 A 379 GLN Q S g < TS- 0 0 -107.1 159.0 173.2 -114.0 75.8 141.8 358 -2.9 0 0.0 0 0.0 0 0.0 16 50
362 A 380 THR T h > T - 0 0 -78.9 157.0 -178.7 -107.3 37.4 117.5 0 0.0 366 -3.1 0 0.0 0 0.0 9 48
363 A 381 ARG R H H > TS+ 0 0 -54.3 -43.2 -178.3 47.1 116.9 29.7 0 0.0 367 -2.0 0 0.0 0 0.0 8 39
364 A 382 ALA A H H > TS+ 0 0 -69.3 -39.2 178.4 44.0 115.8 23.7 0 0.0 368 -2.0 0 0.0 0 0.0 12 50
365 A 383 MET M H H > TS+ 0 0 -68.2 -37.5 -179.1 55.9 111.0 22.7 0 0.0 369 -3.0 0 0.0 0 0.0 14 59
366 A 384 LYS K H H X TS+ 0 0 -60.4 -36.5 176.0 51.9 107.5 26.0 362 -3.1 370 -1.7 0 0.0 0 0.0 11 51
367 A 385 GLN Q H H X TS+ 0 0 -63.6 -58.3 -175.5 33.1 116.8 15.0 363 -2.0 371 -1.3 0 0.0 0 0.0 9 45
368 A 386 VAL V H H X TS+ 0 0 -75.4 -27.8 179.4 57.7 115.6 30.5 364 -2.0 372 -2.5 0 0.0 0 0.0 12 53
369 A 387 ALA A H H X TS+ 0 0 -64.3 -41.5 176.8 54.2 103.5 22.6 365 -3.0 373 -3.8 0 0.0 0 0.0 11 54
370 A 388 GLY G H H X TS+ 0 0 -56.4 -47.7 179.4 45.5 110.3 24.6 366 -1.7 374 -2.2 0 0.0 0 0.0 8 43
371 A 389 THR T H H X TS+ 0 0 -62.7 -47.7 -178.3 47.4 115.3 20.7 367 -1.3 375 -2.7 0 0.0 0 0.0 9 41
372 A 390 MET M H H X TS+ 0 0 -62.4 -40.1 179.5 56.0 108.2 22.3 368 -2.5 376 -2.6 0 0.0 0 0.0 11 54
373 A 391 LYS K H H X TS+ 0 0 -53.1 -56.7 -179.8 42.4 112.2 13.6 369 -3.8 377 -2.4 0 0.0 0 0.0 9 50
374 A 392 LEU L H H X TS+ 0 0 -58.1 -44.5 -179.6 50.1 113.3 28.8 370 -2.2 378 -2.5 0 0.0 0 0.0 8 37
375 A 393 GLU E H H X TS+ 0 0 -69.0 -30.7 174.9 50.2 111.2 31.8 371 -2.7 379 -2.0 0 0.0 0 0.0 11 44
376 A 394 LEU L H H X TS+ 0 0 -70.8 -44.4 176.2 49.5 110.1 18.4 372 -2.6 380 -3.0 0 0.0 0 0.0 10 46
377 A 395 ALA A H H X TS+ 0 0 -55.8 -44.7 179.1 47.6 113.0 22.7 373 -2.4 381 -1.9 0 0.0 0 0.0 9 33
378 A 396 GLN Q H H X TS+ 0 0 -67.3 -33.1 174.0 51.9 111.2 30.4 374 -2.5 382 -0.7 0 0.0 0 0.0 9 31
379 A 397 TYR Y H H X > TS+ 0 0 -66.4 -46.1 -176.3 52.7 106.6 20.0 375 -2.0 382 -1.2 0 0.0 383 -0.9 12 35
380 A 398 ARG R H H < > TS+ 0 0 -57.4 -39.1 -176.5 61.0 102.3 23.7 376 -3.0 383 -0.9 0 0.0 0 0.0 8 29
381 A 399 GLU E H H < 3 TS+ 0 0 -59.9 -27.8 -176.0 25.2 118.3 41.6 377 -1.9 0 0.0 0 0.0 0 0.0 6 25
382 A 400 VAL V H H < < TS+ 0 0 -122.7 10.4 -176.0 127.0 97.3 76.3 379 -1.2 0 0.0 378 -0.7 0 0.0 10 25
383 A 401 ALA A h < < T + 0 0 -62.1 -179.3 174.3 45.5 46.8 83.3 380 -0.9 0 0.0 379 -0.9 0 0.0 7 27
384 A 402 ALA A 0 0 60.0 9.9 175.9 999.9 999.9 54.7 0 0.0 0 0.0 0 0.0 0 0.0 3 20
385!A 403 PHE F 0 0 -95.1 999.9 999.9 999.9 999.9 28.1 0 0.0 0 0.0 0 0.0 0 0.0 3 20
386!A 410 LEU L 0 0 999.9 152.6 178.5 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 4 13
387 A 411 ASP D h > T - 0 0 -41.0 147.2 -179.2 -121.1 999.9 88.9 0 0.0 391 -1.5 0 0.0 0 0.0 5 12
388 A 412 ALA A H H > TS+ 0 0 -63.9 -40.1 -179.7 63.6 108.6 27.0 0 0.0 392 -2.7 0 0.0 0 0.0 6 15
389 A 413 ALA A H H > TS+ 0 0 -56.7 -37.5 178.9 40.4 108.7 26.8 0 0.0 393 -1.7 0 0.0 0 0.0 6 20
390 A 414 THR T H H > TS+ 0 0 -88.1 -13.2 171.0 60.9 108.4 39.2 0 0.0 394 -1.8 0 0.0 0 0.0 9 24
391 A 415 GLN Q H H X TS+ 0 0 -67.5 -41.9 179.3 44.5 109.5 17.3 387 -1.5 395 -2.4 0 0.0 0 0.0 9 26
392 A 416 GLN Q H H X TS+ 0 0 -66.8 -43.9 -179.0 54.7 109.1 25.0 388 -2.7 396 -2.6 0 0.0 0 0.0 8 37
393 A 417 LEU L H H X TS+ 0 0 -60.3 -36.0 175.5 43.6 113.5 26.8 389 -1.7 397 -2.0 0 0.0 0 0.0 12 37
394 A 418 LEU L H H X TS+ 0 0 -71.3 -47.3 -180.0 53.0 111.0 27.7 390 -1.8 398 -2.4 0 0.0 0 0.0 11 38
395 A 419 SER S H H X TS+ 0 0 -59.1 -41.8 175.9 44.9 112.9 22.3 391 -2.4 399 -1.3 0 0.0 0 0.0 9 44
396 A 420 ARG R H H X TS+ 0 0 -66.8 -50.3 -179.7 50.4 112.1 21.5 392 -2.6 400 -3.1 0 0.0 0 0.0 14 49
397 A 421 GLY G H H X TS+ 0 0 -55.5 -48.4 179.3 50.9 109.4 22.5 393 -2.0 401 -2.7 0 0.0 0 0.0 12 54
398 A 422 VAL V H H X TS+ 0 0 -58.7 -36.3 178.9 46.2 113.8 27.2 394 -2.4 402 -1.9 0 0.0 0 0.0 9 51
399 A 423 ARG R H H X TS+ 0 0 -75.6 -41.5 177.3 50.4 110.1 18.5 395 -1.3 403 -2.0 0 0.0 0 0.0 13 51
400 A 424 LEU L H H X TS+ 0 0 -61.8 -34.1 177.6 56.4 108.8 26.4 396 -3.1 404 -1.1 0 0.0 0 0.0 13 65
401 A 425 THR T H H X > TS+ 0 0 -61.4 -48.8 -179.5 49.0 105.3 19.3 397 -2.7 404 -1.1 0 0.0 405 -0.6 8 63
402 A 426 GLU E H H < > TS+ 0 0 -59.7 -37.4 179.7 56.3 107.3 25.3 398 -1.9 405 -1.5 0 0.0 0 0.0 11 54
403 A 427 LEU L H H < 3 TS+ 0 0 -65.5 -23.8 -179.5 58.9 99.8 43.7 399 -2.0 0 0.0 0 0.0 0 0.0 13 64
404 A 428 LEU L H H < < TS+ 0 0 -83.9 -14.0 172.0 102.3 84.7 56.1 401 -1.1 0 0.0 400 -1.1 0 0.0 9 69
405 A 429 LYS K h < < T + 0 0 -60.8 152.0 179.2 173.0 50.8 111.1 402 -1.5 0 0.0 401 -0.6 0 0.0 12 52
406 A 430 GLN Q - 0 0 -164.2 136.2 175.9 -129.0 28.0 155.7 344 -2.7 0 0.0 0 0.0 0 0.0 9 53
407 A 431 GLY G t > T - 0 0 -77.5 169.3 177.9 -94.4 41.2 108.1 0 0.0 410 -0.5 0 0.0 0 0.0 7 44
408 A 432 GLN Q T T 3 TS+ 0 0 -79.2 163.9 172.1 29.4 95.9 121.1 0 0.0 0 0.0 0 0.0 0 0.0 7 41
409 A 433 TYR Y T T 3 TS+ 0 0 62.5 20.8 171.8 91.7 96.0 53.0 0 0.0 0 0.0 0 0.0 0 0.0 7 40
410 A 434 SER S t < T + 0 0 -139.7 62.0 178.6 179.6 51.7 116.5 407 -0.5 0 0.0 0 0.0 0 0.0 8 45
411 A 435 PRO P - 0 0 -56.4 147.0 -177.3 -131.4 26.1 109.8 0 0.0 0 0.0 0 0.0 0 0.0 12 47
412 A 436 MET M - 0 0 -111.9 149.8 172.5 -109.5 8.6 142.0 131 -2.7 0 0.0 0 0.0 0 0.0 10 51
413 A 437 ALA A h > > T - 0 0 -62.7 153.4 -174.9 -113.3 37.9 109.4 0 0.0 417 -2.1 0 0.0 416 -0.6 7 54
414 A 438 ILE I H H > 3 TS+ 0 0 -65.8 -34.5 177.9 53.7 114.8 27.8 0 0.0 418 -2.6 0 0.0 0 0.0 10 60
415 A 439 GLU E H H > 3 TS+ 0 0 -68.7 -31.8 -179.5 50.8 108.9 37.4 0 0.0 419 -2.4 0 0.0 0 0.0 11 55
416 A 440 GLU E H H > < TS+ 0 0 -70.6 -43.1 176.1 49.7 109.4 26.7 413 -0.6 420 -2.3 0 0.0 0 0.0 10 61
417 A 441 GLN Q H H X TS+ 0 0 -56.7 -52.1 179.4 47.9 113.1 19.3 413 -2.1 421 -2.9 0 0.0 0 0.0 12 66
418 A 442 VAL V H H X TS+ 0 0 -56.0 -48.8 179.5 53.3 107.6 25.1 414 -2.6 422 -3.0 0 0.0 0 0.0 12 67
419 A 443 ALA A H H X TS+ 0 0 -55.0 -42.6 177.7 45.8 114.0 24.2 415 -2.4 423 -2.1 0 0.0 0 0.0 10 73
420 A 444 VAL V H H X TS+ 0 0 -65.2 -51.1 -177.3 46.0 112.5 16.8 416 -2.3 424 -1.3 0 0.0 0 0.0 11 71
421 A 445 ILE I H H X > TS+ 0 0 -60.1 -43.8 174.9 58.4 110.1 16.6 417 -2.9 425 -2.9 0 0.0 424 -0.6 13 69
422 A 446 TYR Y H H X 3 TS+ 0 0 -48.5 -55.2 177.4 57.7 98.0 22.9 418 -3.0 426 -2.3 0 0.0 0 0.0 9 64
423 A 447 ALA A H H < 3>TS+ 0 0 -44.4 -46.3 -177.7 38.6 115.2 25.9 419 -2.1 428 -1.4 0 0.0 429 -0.6 11 66
424 A 448 GLY G H H < X5TS+ 0 0 -75.8 -47.2 -175.6 48.7 114.2 19.9 420 -1.3 427 -1.8 421 -0.6 0 0.0 14 62
425 A 449 VAL V H H < 35TS+ 0 0 -71.8 -17.8 178.0 54.1 109.9 40.0 421 -2.9 0 0.0 0 0.0 0 0.0 12 54
426 A 450 ARG R T h < 35TS- 0 0 -92.1 4.2 173.8 -114.7 116.4 65.1 422 -2.3 0 0.0 0 0.0 0 0.0 6 47
427 A 451 GLY G T T X5TS+ 0 0 84.8 6.7 -177.8 133.4 73.6 62.5 424 -1.8 430 -1.8 0 0.0 0 0.0 8 42
428 A 452 TYR Y T T 3 TS+ 0 0 -111.0 10.2 -175.0 109.7 78.3 70.3 423 -0.6 432 -1.5 0 0.0 0 0.0 8 52
430 A 454 ASP D T T < TS+ 0 0 -60.9 -22.9 178.7 40.8 86.0 43.7 427 -1.8 0 0.0 0 0.0 0 0.0 9 45
431 A 455 LYS K T T 3 TS+ 0 0 -107.3 8.3 176.2 102.1 91.1 64.4 0 0.0 0 0.0 0 0.0 0 0.0 5 35
432 A 456 LEU L S t < TS- 0 0 -86.1 140.1 -179.9 -99.7 87.0 128.8 429 -1.5 0 0.0 0 0.0 0 0.0 7 40
433 A 457 GLU E g > T - 0 0 -60.6 131.2 -175.8 -131.2 30.7 116.0 0 0.0 436 -2.0 0 0.0 0 0.0 6 31
434 A 458 PRO P G G > TS+ 0 0 -54.9 -38.2 179.4 62.3 103.1 31.0 0 0.0 437 -1.4 0 0.0 0 0.0 8 35
435 A 459 SER S G G 3 TS+ 0 0 -67.0 -11.6 179.1 53.1 101.9 54.1 0 0.0 0 0.0 0 0.0 0 0.0 5 30
436 A 460 LYS K G h > < TS+ 0 0 -103.5 -1.2 -177.3 93.4 80.4 55.1 433 -2.0 440 -2.7 0 0.0 0 0.0 8 35
437 A 461 ILE I H H > < TS+ 0 0 -57.8 -43.6 179.3 54.0 81.7 27.5 434 -1.4 441 -3.3 0 0.0 0 0.0 12 46
438 A 462 THR T H H > TS+ 0 0 -60.8 -43.4 177.0 44.1 112.1 24.7 0 0.0 442 -2.0 0 0.0 0 0.0 10 41
439 A 463 LYS K H H > TS+ 0 0 -65.5 -40.5 177.8 52.5 113.9 20.2 0 0.0 443 -2.6 0 0.0 0 0.0 7 31
440 A 464 PHE F H H X TS+ 0 0 -55.6 -56.0 -175.8 47.6 109.2 14.5 436 -2.7 444 -3.2 0 0.0 0 0.0 10 48
441 A 465 GLU E H H X TS+ 0 0 -58.0 -46.0 176.7 50.7 111.2 21.8 437 -3.3 445 -2.3 0 0.0 0 0.0 10 53
442 A 466 ASN N H H X TS+ 0 0 -56.8 -50.5 -179.1 40.9 115.9 18.3 438 -2.0 446 -2.3 0 0.0 0 0.0 8 40
443 A 467 ALA A H H X TS+ 0 0 -67.3 -35.7 -179.7 51.9 115.1 27.5 439 -2.6 447 -2.2 0 0.0 0 0.0 8 35
444 A 468 PHE F H H X TS+ 0 0 -65.0 -38.8 -178.2 48.9 110.3 34.0 440 -3.2 448 -2.3 0 0.0 0 0.0 9 48
445 A 469 LEU L H H X TS+ 0 0 -69.5 -45.6 177.3 49.5 110.1 19.0 441 -2.3 449 -2.5 0 0.0 0 0.0 10 45
446 A 470 SER S H H X TS+ 0 0 -58.4 -43.1 179.6 50.0 112.8 21.4 442 -2.3 450 -1.8 0 0.0 0 0.0 8 31
447 A 471 HIS H H H X >TS+ 0 0 -61.8 -46.9 -178.7 44.8 111.7 24.5 443 -2.2 451 -2.0 0 0.0 452 -0.6 9 32
448 A 472 VAL V H H X 5TS+ 0 0 -71.0 -32.2 176.6 53.1 112.0 29.0 444 -2.3 452 -1.4 0 0.0 0 0.0 10 44
449 A 473 ILE I H H < 5TS+ 0 0 -68.0 -33.9 178.8 39.0 117.2 31.4 445 -2.5 0 0.0 0 0.0 0 0.0 9 32
450 A 474 SER S H H < >5TS+ 0 0 -79.6 -65.5 -179.9 18.7 132.2 14.6 446 -1.8 453 -0.5 0 0.0 0 0.0 7 19
451 A 475 GLN Q H H < 35TS+ 0 0 -81.9 -20.1 -175.0 46.3 127.5 47.1 447 -2.0 0 0.0 0 0.0 0 0.0 6 22
452 A 476 HIS H T h X > < TS+ 0 0 -52.2 -35.9 -179.4 61.3 77.1 34.3 450 -0.5 457 -2.7 0 0.0 0 0.0 9 27
454 A 478 ALA A H H > 3 TS+ 0 0 -63.7 -39.4 179.9 47.9 102.6 30.3 0 0.0 458 -1.7 0 0.0 0 0.0 6 29
455 A 479 LEU L H H > < TS+ 0 0 -67.2 -45.9 178.5 52.5 110.7 19.8 452 -1.0 459 -1.9 0 0.0 0 0.0 9 44
456 A 480 LEU L H H X TS+ 0 0 -54.9 -45.1 176.3 55.5 105.8 20.5 452 -1.9 460 -2.4 0 0.0 0 0.0 13 45
457 A 481 GLY G H H X TS+ 0 0 -50.0 -56.2 -179.9 43.0 110.7 24.0 453 -2.7 461 -2.7 0 0.0 0 0.0 9 31
458 A 482 LYS K H H X TS+ 0 0 -62.9 -35.2 -179.2 54.3 110.3 43.0 454 -1.7 462 -3.0 0 0.0 0 0.0 9 34
459 A 483 ILE I H H < TS+ 0 0 -63.8 -42.0 -179.1 42.1 115.9 17.5 455 -1.9 0 0.0 0 0.0 0 0.0 16 43
460 A 484 ARG R H H < TS+ 0 0 -63.6 -46.6 -174.1 33.6 126.2 24.2 456 -2.4 0 0.0 0 0.0 0 0.0 10 42
461 A 485 THR T H H < TS+ 0 0 -84.2 -44.9 -173.2 66.5 101.9 40.8 457 -2.7 0 0.0 0 0.0 0 0.0 6 27
462 A 486 ASP D S h < TS- 0 0 -61.8 -14.2 -177.2 -136.1 91.6 54.4 458 -3.0 0 0.0 0 0.0 0 0.0 8 26
463 A 487 GLY G S S S+ 0 0 64.5 26.5 -177.2 30.2 80.8 44.7 0 0.0 0 0.0 0 0.0 0 0.0 9 32
464 A 488 LYS K S S S- 0 0 149.6 125.7 -168.1 -73.9 107.5 111.0 0 0.0 0 0.0 0 0.0 0 0.0 8 37
465 A 489 ILE I - 0 0 -51.2 106.7 -177.3 -149.5 52.5 91.6 0 0.0 0 0.0 0 0.0 0 0.0 9 42
466 A 490 SER S h > T - 0 0 -71.2 168.1 177.9 -106.9 27.1 101.7 0 0.0 470 -2.0 0 0.0 0 0.0 8 29
467 A 491 GLU E H H > TS+ 0 0 -63.1 -35.9 178.9 54.7 121.0 25.5 0 0.0 471 -1.8 0 0.0 0 0.0 6 21
468 A 492 GLU E H H > TS+ 0 0 -59.2 -58.3 -178.7 45.6 107.0 20.3 0 0.0 472 -2.8 0 0.0 0 0.0 6 25
469 A 493 SER S H H > TS+ 0 0 -55.8 -38.6 177.1 57.4 110.6 33.7 0 0.0 473 -2.7 0 0.0 0 0.0 11 39
470 A 494 ASP D H H X TS+ 0 0 -55.9 -49.3 -175.7 42.4 109.9 23.9 466 -2.0 474 -1.7 0 0.0 0 0.0 9 39
471 A 495 ALA A H H X TS+ 0 0 -68.3 -40.5 -178.2 47.1 117.8 21.8 467 -1.8 475 -1.6 0 0.0 0 0.0 8 26
472 A 496 LYS K H H X TS+ 0 0 -66.6 -41.4 -174.9 50.5 110.3 34.5 468 -2.8 476 -2.3 0 0.0 0 0.0 9 33
473 A 497 LEU L H H X TS+ 0 0 -67.0 -40.6 -176.3 51.6 109.1 27.1 469 -2.7 477 -3.1 0 0.0 0 0.0 8 49
474 A 498 LYS K H H X TS+ 0 0 -65.1 -37.6 178.8 50.1 110.4 33.5 470 -1.7 478 -2.4 0 0.0 0 0.0 8 36
475 A 499 GLU E H H X TS+ 0 0 -65.8 -54.5 178.1 41.3 115.1 19.6 471 -1.6 479 -1.6 0 0.0 0 0.0 8 29
476 A 500 ILE I H H X TS+ 0 0 -59.2 -48.0 -174.8 47.1 118.5 16.1 472 -2.3 480 -3.0 0 0.0 0 0.0 8 40
477 A 501 VAL V H H X TS+ 0 0 -63.5 -53.8 -176.6 46.9 110.8 23.9 473 -3.1 481 -2.4 0 0.0 0 0.0 10 47
478 A 502 THR T H H X TS+ 0 0 -57.4 -44.5 -177.6 39.8 120.3 31.3 474 -2.4 482 -1.4 0 0.0 0 0.0 9 35
479 A 503 ASN N H H X TS+ 0 0 -77.2 -34.8 177.8 50.7 114.5 32.2 475 -1.6 483 -2.0 0 0.0 0 0.0 8 27
480 A 504 PHE F H H X TS+ 0 0 -65.0 -41.6 -179.4 51.2 111.4 21.2 476 -3.0 484 -3.0 0 0.0 0 0.0 9 37
481 A 505 LEU L H H X TS+ 0 0 -62.8 -45.7 176.9 51.5 106.5 27.7 477 -2.4 485 -2.3 0 0.0 0 0.0 9 37
482 A 506 ALA A H H X TS+ 0 0 -59.1 -42.6 175.7 45.6 113.8 21.4 478 -1.4 486 -0.7 0 0.0 0 0.0 8 25
483 A 507 GLY G H H < > TS+ 0 0 -60.7 -51.5 179.8 52.8 111.4 18.0 479 -2.0 486 -1.6 0 0.0 0 0.0 7 21
484 A 508 PHE F H H < 3 TS+ 0 0 -55.4 -35.5 177.2 46.2 111.2 35.1 480 -3.0 0 0.0 0 0.0 0 0.0 7 30
485 A 509 GLU E H H < 3 T 0 0 -82.6 -8.8 -174.1 999.9 999.9 52.7 481 -2.3 0 0.0 0 0.0 0 0.0 5 25
486 A 510 ALA A h < < T 0 0 -49.7 999.9 999.9 999.9 999.9 106.4 483 -1.6 0 0.0 482 -0.7 0 0.0 4 15
1h8eA.pdb
1H8E ATP PHOSPHORYLASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand S TTTEEEEEEEETTEEEEEE TT TT EEEETTS EEEEEEEETTEEEEEEES GGG TT EEE EEE SGGGTT EE TTS B SSS Kabs/Sand
chirality ++--++++------++-+----+++++--++-----+-+----++-+-++------+--+++--++----+-+--+---+-+++++-+--+-+-++-+- chirality
bends S SSS S SS S SS SS SSS SS SS SSS SS SSSSSS SSS SSS bends
turns TTTTT TTTT TTTTTTTT TTTT TTTT TTTTTTTTT TTTTTTT TTTT turns
5-turns 5-turns
3-turns >33< >33<>33< >33< >33< >>3<<>33< >>3X<3< >33< 3-turns
bridge-2 BBB*BBB CCCC EE FFFF*FFF FFFFFFF EE A bridge-2
bridge-1 AAA BBBBBB DDD DDD CCCC AAA GGG hh A bridge-1
sheets AAAAAAAA AAAAAA AAAA AAAAAAAA AAAAAAA AAA BBB CC sheets
4-turns >444< 4-turns
summary S tTTeEEEEEEEETeEEEEEEeTTttTTeEEEEeTteEEEEEEEETTEEEEEEESgGGGgtTTeEEEe eEEEegGGGgTeEEtTTt B SSS summary
sequence ADTSVDLEETGRVLSIGDGIARVHGLRNVQAEEMVEFSSGLKGMSLNLEPDNVGVVVFGNDKLIKEGDIVKRTGAIVDVPVGEELLGRVVDALGNAIDGK sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand EEESS STTB SEE S HHHHHHS EETT BEEEEESTTSSHHHHHHHHHHHTHHHHTSS GGG EEEEEEES HHHHHHHHH Kabs/Sand
chirality ---+-+----++-----+++---++-----+-++++++----++-+--++--++-++++++++++++++++++-+-+++---------+--+++++++++ chirality
bends SS SSS S S SSSSSSS SS SSSSSSSSSSSSSSSSSSSSSSSS SSS S SSSSSSSSS bends
turns TTTT TTTTTTTT TTTT TTTTTTTTTTTTTTTTTTTTTTT TTTTT TTTTTTTTTT turns
5-turns 5-turns
3-turns >33< >33< >33< >>>X<>3<< 3-turns
bridge-2 kkk mmmmmm bridge-2
bridge-1 GGG B II II cjjjj llllll bridge-1
sheets BBB DD DD CCCCC CCCCCCC sheets
4-turns >>>><<<< >>>>XXXXX<<44<< >>>>XXXXXX 4-turns
summary eEEEeS tTTB eEE ShHHHHHHh EEeTteEEEEEtTTthHHHHHHHHHHHhHHHHhtSgGGGg EEEEEEEe hHHHHHHHHH summary
sequence GPIGSKARRRVGLKAPGIIPRISVREPMQTGIKAVDSLVPIGRGQRELIIGDRQTGKTSIAIDTIINQKRFNDGTDEKKKLYCIYVAIGQKRSTVAQLVK sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand HHHHTT GGGEEEEEE TTS HHHHHHHHHHHHHHHHHHHTTT EEEEEEETHHHHHHHHHHHHHHTT GGG TTHHHHHHHHHTT EEB GGGTS Kabs/Sand
chirality ++++-+++++----+--++--++++++++++++++++++++-+-------++++++++++++++++-+--+-+-+--++++++++++++++----++--+ chirality
bends SSSSSS SSS SSS SSSSSSSSSSSSSSSSSSSSSS S SSSSSSSSSSSSSSS SSS SSSSSSSSSSSSS SSS S bends
turns TTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTT TTTTTT turns
5-turns >5555< >5555< >5555< >5555< 5-turns
3-turns >33<>>3<< >33<>33< >33< >>3<< >33< >>3<< >>3<<>33< >>3<< >>3<< 3-turns
bridge-2 mmmmmm nnnnnn bridge-2
bridge-1 hh llllll OOB bridge-1
sheets CCCCCC CCCCCCC CC sheets
4-turns X<<<< >>>><>XXXXXXX<<<< >>>>XXXXXXXX<<<< >>>>XXX<<<< 4-turns
summary HHHHhTgGGeEEEEEEtTTthHHHHHHHHHHHHHHHHHHHhTTeEEEEEEEhHHHHHHHHHHHHHHhTt gGGGgtThHHHHHHHHHhTtEEegGGGgt summary
sequence RLTDADAMKYTIVVSATASDAAPLQYLAPYSGCSMGEYFRDNGKHALIIYDDLSKQAVAYRQMSLLLRRPPGREAYPGDVFYLHSRLLERAAKMNDAFGG sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand EEEEEEEEE STT TTSHHHHHHHHHSSEEEEB HHHHHTT SS B TTT SSGGGGS HHHHHHHHHHHHHHHHHHHH HHHHHHHHHHHHH Kabs/Sand
chirality -------------++++-+++++++++--------+++++-+-+-+-++++-+-++++++--+++++++++++++++++++++ -+++++++++++++ chirality
bends SSS SSSSSSSSSSSSSS SSSSSSS SS SSS SS SSSS SSSSSSSSSSSSSSSSSSSS SSSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTT TTTTTTTTT TTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >33X33< >33< >33< >>><<< >>3<< 3-turns
bridge-2 OO c bridge-2
bridge-1 nnnnnnkkk jjjjD D bridge-1
sheets CCCCCCCCC CCCC sheets
4-turns >>>>XXX<<<< >>>4<<< >444< >>>>XXXXXXXXXXXXXX<<<< >>>>XXXXXXXXXX 4-turns
summary eEEEEEEEEEetTTtTThHHHHHHHHHhSEEEEehHHHHHhTtSS BtTTTt SgGGGGghHHHHHHHHHHHHHHHHHHHHh hHHHHHHHHHHHHH summary
sequence GSLTALPVIETQAGDVSAYIPTNVISITDGQIFLETELFYKGIRPAINVGLSVSRVGSAAQTRAMKQVAGTMKLELAQYREVAAFLDAATQQLLSRGVRL sequence
310 320 330 340 350 360 370 380 390 400
author author
Kabs/Sand HHHH TT HHHHHHHHHHHHTTTTTTS GGGHHHHHHHHHHHHHHHTHHHHHHHHHSSS HHHHHHHHHHHHHHHHHHH Kabs/Sand
chirality +++++--+++---++++++++++++-+++++--++++++++++++++++++++++++++++-+---++++++++++++++++++ chirality
bends SSSS SS SSSSSSSSSSSSSSSSSSS SSSSSSSSSSSSSSSSSS SSSSSSSSSSSS SSSSSSSSSSSSSSSSSS bends
turns TTTTT TTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >>3<< >33< >33< >33X33X3><3<>>3<< >3><3< >33< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns X<<<< >>>>XXXXXX<<<< >>>>XXXXXXXXX<<>>XXX<<<< >>>>XXXXXXXXXXXXX<<<< 4-turns
summary HHHHh tTTt hHHHHHHHHHHHHhTTTTTtgGGhHHHHHHHHHHHHHHHhHHHHHHHHHhSS hHHHHHHHHHHHHHHHHHHHh summary
sequence TELLKQGQYSPMAIEEQVAVIYAGVRGYLDKLEPSKITKFENAFLSHVISQHQALLGKIRTDGKISEESDAKLKEIVTNFLAGFEA sequence
410 420 430 440 450 460 470 480
Messages
chain break between 385(A 403 ) and 386(A 410 )