Secondary structure calculation program - copyright by David Keith Smith, 1989
1be3A.pdb
1BE3 ELECTRON TRANSPORT MOL_ID: 1; MOL_ID: 1;
Sequence length - 446
A A K K hydrogen bonding Ooi's
strk chain/ l amino u & S structure bridge dihedral angles donor acceptor donor acceptor N N
num seq.no t acids t S + patterns partners phi psi omega alpha kappa tco to/energy fr/energy to/energy fr/energy 8 14
1 A 1 THR T 0 0 999.9 158.7 178.2 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 2 7
2 A 2 ALA A - 0 0 -178.4 139.2 -173.0 -137.8 999.9 149.8 0 0.0 0 0.0 0 0.0 0 0.0 5 10
3 A 3 THR T h > > T - 0 0 -118.0 151.0 -164.5 -102.8 29.2 145.2 0 0.0 7 -0.8 0 0.0 6 -0.8 6 11
4 A 4 TYR Y H H > 3 TS+ 0 0 -37.1 -61.2 176.7 47.5 118.7 43.7 0 0.0 8 -2.5 0 0.0 0 0.0 6 25
5 A 5 ALA A H H > 3 TS+ 0 0 -38.5 -66.6 -177.5 51.7 111.3 22.3 0 0.0 9 -1.5 0 0.0 0 0.0 6 23
6 A 6 GLN Q H H > X TS+ 0 0 -40.1 -73.8 173.4 51.5 107.6 23.5 3 -0.8 9 -2.8 0 0.0 10 -1.4 8 17
7 A 7 ALA A H H < 3 TS+ 0 0 -23.5 -59.8 -175.5 57.0 106.5 42.4 3 -0.8 0 0.0 0 0.0 0 0.0 9 23
8 A 8 LEU L H H < > TS+ 0 0 -47.3 -46.9 -169.2 44.7 107.4 29.6 4 -2.5 11 -1.1 0 0.0 0 0.0 8 30
9 A 9 GLN Q H H < < TS+ 0 0 -75.9 -25.0 -180.0 61.5 107.6 33.5 6 -2.8 0 0.0 5 -1.5 0 0.0 7 22
10 A 10 SER S T h < 3 TS+ 0 0 -82.7 7.0 -179.5 119.6 76.3 77.7 6 -1.4 0 0.0 0 0.0 0 0.0 6 23
11 A 11 VAL V S t < TS- 0 0 -87.2 138.6 -177.0 -95.8 76.7 131.3 8 -1.1 0 0.0 0 0.0 0 0.0 7 33
12 A 12 PRO P - 0 0 -52.7 109.0 176.2 -125.4 43.2 111.1 0 0.0 0 0.0 0 0.0 0 0.0 7 39
13 A 13 GLU E - 0 0 -55.6 158.5 -176.9 -113.6 21.0 80.4 0 0.0 0 0.0 0 0.0 0 0.0 6 40
14 A 14 THR T - 0 0 -102.7 131.0 -179.9 -139.9 21.5 149.0 0 0.0 16 -0.7 0 0.0 0 0.0 10 51
15 A 15 GLN Q - 0 0 -95.6 112.1 177.2 -168.1 15.7 143.0 27 -2.1 0 0.0 0 0.0 0 0.0 9 44
16 A 16 VAL V + 0 0 -95.4 137.1 172.3 162.1 17.3 140.9 14 -0.7 0 0.0 0 0.0 0 0.0 9 49
17 A 17 SER S E E AA - 25 0 -147.2 171.0 -169.2 -137.1 22.4 170.4 25 -1.9 25 -3.0 0 0.0 0 0.0 9 43
18 A 18 GLN Q E E AA - 24 0 -144.2 132.9 171.8 -143.9 2.5 165.6 0 0.0 0 0.0 0 0.0 0 0.0 10 43
19 A 19 LEU L e > T - 0 0 -78.7 167.5 -174.8 -94.1 45.3 100.6 23 -1.9 22 -1.1 0 0.0 0 0.0 10 35
20 A 20 ASP D T T 3 TS+ 0 0 -54.8 -41.1 -178.5 46.7 127.1 24.2 0 0.0 0 0.0 0 0.0 0 0.0 6 29
21 A 21 ASN N T T 3 TS- 0 0 -77.3 -15.0 -177.2 -92.1 130.3 46.4 0 0.0 218 -0.5 0 0.0 0 0.0 10 29
22 A 22 GLY G t < T + 0 0 112.5 17.1 179.4 166.0 65.3 55.3 19 -1.1 0 0.0 0 0.0 0 0.0 11 42
23 A 23 LEU L e - 0 0 -67.1 125.2 -173.4 -137.4 31.8 118.1 0 0.0 19 -1.9 0 0.0 0 0.0 14 54
24 A 24 ARG R E E AAb - 18 196 -98.9 134.3 -174.9 -166.8 18.7 150.9 195 -0.6 197 -3.8 0 0.0 0 0.0 13 63
25 A 25 VAL V E E AAb + 17 197 -121.4 114.3 173.6 160.0 15.6 173.6 17 -3.0 17 -1.9 0 0.0 0 0.0 14 61
26 A 26 ALA A e + 0 0 -127.3 166.1 -178.3 162.2 4.1 157.2 197 -1.7 0 0.0 0 0.0 0 0.0 15 64
27 A 27 SER S - 0 0 -177.6 138.1 167.8 -146.7 27.0 155.1 0 0.0 15 -2.1 0 0.0 0 0.0 17 63
28 A 28 GLU E E E Ac - 200 0 -112.8 135.4 -176.8 -145.3 26.5 167.4 199 -1.2 201 -2.4 0 0.0 0 0.0 13 57
29 A 29 GLN Q E E Ac + 201 0 -104.1 143.7 176.9 149.3 38.0 147.8 0 0.0 0 0.0 0 0.0 0 0.0 12 45
30 A 30 SER S e - 0 0 -146.2 -6.6 179.4 -123.8 54.6 70.5 201 -5.7 0 0.0 0 0.0 0 0.0 9 34
31 A 31 SER S + 0 0 62.1 31.3 179.9 142.7 63.2 37.2 201 -1.3 0 0.0 0 0.0 0 0.0 7 31
32 A 32 GLN Q - 0 0 -110.3 164.4 -162.9 -102.3 58.2 129.7 0 0.0 0 0.0 0 0.0 0 0.0 8 31
33 A 33 PRO P S e S+ 0 0 -59.8 -48.0 -173.6 46.8 91.5 45.8 0 0.0 103 -4.5 0 0.0 0 0.0 9 29
34 A 34 THR T E E AD - 102 0 -101.0 153.2 177.4 -163.3 65.0 135.1 0 0.0 0 0.0 0 0.0 0 0.0 11 43
35 A 35 CYS C E E AD - 101 0 -126.2 165.7 177.0 -151.3 13.9 147.8 101 -4.3 101 -3.6 0 0.0 0 0.0 17 54
36 A 36 THR T E E ADE - 100 200 -137.8 86.9 -180.0 -171.2 18.4 141.7 200 -1.0 200 -0.6 0 0.0 0 0.0 14 65
37 A 37 VAL V E E ADE - 99 199 -82.8 141.1 179.0 -177.7 12.3 132.5 99 -1.2 99 -3.2 0 0.0 0 0.0 16 73
38 A 38 GLY G E E ADE - 98 198 -147.6 145.2 170.1 -150.9 32.5 161.7 198 -3.0 198 -3.9 0 0.0 40 -0.6 15 75
39 A 39 VAL V E E ADE - 97 197 -103.5 113.1 -179.3 -164.9 19.3 151.3 97 -2.0 97 -2.0 0 0.0 41 -0.8 14 75
40 A 40 TRP W e - 0 0 -102.5 80.8 179.6 -172.2 8.0 131.4 196 -2.9 0 0.0 38 -0.6 0 0.0 16 68
41 A 41 ILE I - 0 0 -71.8 136.2 -177.3 -153.9 10.5 113.1 39 -0.8 95 -1.0 0 0.0 0 0.0 13 66
42 A 42 ASP D + 0 0 -109.5 27.6 172.8 103.0 58.5 73.5 0 0.0 44 -1.0 0 0.0 0 0.0 12 61
43 A 43 ALA A + 0 0 -101.4 107.5 176.5 157.2 51.6 146.5 0 0.0 0 0.0 0 0.0 0 0.0 12 60
44 A 44 GLY G - 0 0 -97.0 -132.5 -160.4 -54.3 55.5 60.8 42 -1.0 0 0.0 0 0.0 0 0.0 14 57
45 A 45 SER S S t > TS+ 0 0 -101.7 -17.8 175.7 71.9 118.2 58.2 0 0.0 48 -1.0 0 0.0 0 0.0 18 54
46 A 46 ARG R T T 3 TS+ 0 0 -84.4 6.4 174.0 51.7 95.3 63.4 92 -1.8 0 0.0 0 0.0 0 0.0 11 54
47 A 47 TYR Y T T 3 TS+ 0 0 -108.3 -7.2 -171.3 106.7 86.9 80.5 0 0.0 0 0.0 0 0.0 0 0.0 10 53
48 A 48 GLU E t < T - 0 0 -75.9 147.7 175.8 -137.2 66.2 129.8 45 -1.0 0 0.0 0 0.0 0 0.0 13 51
49 A 49 SER S - 0 0 -85.6 -172.8 -178.6 -84.3 41.2 111.1 0 0.0 0 0.0 0 0.0 0 0.0 7 44
50 A 50 GLU E S g > TS+ 0 0 -62.5 -42.9 177.3 43.9 129.9 26.9 0 0.0 53 -0.5 0 0.0 0 0.0 7 38
51 A 51 LYS K G G > TS+ 0 0 -62.6 -76.9 -178.4 39.7 118.0 18.7 0 0.0 54 -0.7 0 0.0 53 -0.7 8 38
52 A 52 ASN N G G > > TS+ 0 0 -62.7 19.5 176.3 130.4 77.3 66.2 0 0.0 55 -4.0 0 0.0 56 -0.5 12 48
53 A 53 ASN N G G 4 < TS+ 0 0 -41.5 -38.5 177.9 26.6 86.4 35.2 51 -0.7 0 0.0 50 -0.5 0 0.0 16 52
54 A 54 GLY G G h > < TS+ 0 0 -116.9 26.6 178.5 111.1 91.2 86.0 51 -0.7 58 -1.7 0 0.0 0 0.0 16 61
55 A 55 ALA A H H > X TS+ 0 0 -59.7 -61.3 178.3 45.7 79.5 11.5 52 -4.0 59 -2.4 0 0.0 58 -0.6 14 61
56 A 56 GLY G H H X > TS+ 0 0 -44.6 -65.5 179.1 54.4 110.2 16.7 52 -0.5 60 -1.6 0 0.0 59 -1.1 17 66
57 A 57 TYR Y H H > 3 TS+ 0 0 -40.9 -35.3 171.8 50.8 108.6 41.5 0 0.0 61 -0.6 0 0.0 0 0.0 12 65
58 A 58 PHE F H H X X TS+ 0 0 -68.7 -46.1 179.4 57.6 102.7 28.8 54 -1.7 61 -1.1 55 -0.6 62 -1.0 11 67
59 A 59 VAL V H H X X TS+ 0 0 -51.0 -48.7 177.4 63.2 99.1 11.6 55 -2.4 62 -2.8 56 -1.1 63 -2.1 9 67
60 A 60 GLU E H H < 3 TS+ 0 0 -40.9 -41.7 179.7 52.5 98.7 44.9 56 -1.6 0 0.0 0 0.0 0 0.0 11 61
61 A 61 HIS H H H < < TS+ 0 0 -72.0 -24.5 178.0 42.0 115.4 47.4 58 -1.1 0 0.0 57 -0.6 0 0.0 9 55
62 A 62 LEU L H H < X TS+ 0 0 -89.5 -28.0 -177.3 91.1 89.6 48.0 59 -2.8 65 -2.4 58 -1.0 0 0.0 12 57
63 A 63 ALA A T h < 3 TS+ 0 0 -38.1 -45.5 -178.5 33.6 96.2 38.6 59 -2.1 0 0.0 0 0.0 0 0.0 11 58
64 A 64 PHE F T T 3 TS+ 0 0 -101.9 19.3 -176.0 81.5 97.2 87.5 0 0.0 0 0.0 0 0.0 0 0.0 10 55
65 A 65 LYS K S t < TS- 0 0 -109.9 11.6 -175.5 -27.1 101.0 72.7 62 -2.4 0 0.0 0 0.0 0 0.0 14 45
66 A 66 GLY G - 0 0 152.5 154.9 -179.5 -157.0 40.6 140.1 0 0.0 0 0.0 0 0.0 0 0.0 18 40
67 A 67 THR T B B A > T - 70 0 -149.4 144.7 -175.4 -104.5 46.3 157.4 70 -0.7 70 -3.7 0 0.0 0 0.0 12 35
68 A 68 LYS K T T 3 TS+ 0 0 -48.3 -30.7 177.8 50.0 129.5 30.4 0 0.0 0 0.0 0 0.0 0 0.0 8 27
69 A 69 ASN N T T 3 TS+ 0 0 -78.5 -8.9 -176.7 30.5 122.5 70.1 0 0.0 0 0.0 0 0.0 0 0.0 6 28
70 A 70 ARG R B B A <>TS- 67 0 -156.9 76.6 176.6 -174.2 75.4 110.9 67 -3.7 67 -0.7 0 0.0 75 -0.6 9 31
71 A 71 PRO P T T >5T - 0 0 -65.0 168.0 179.5 -6.0 57.5 95.7 0 0.0 74 -1.9 0 0.0 0 0.0 11 29
72 A 72 GLY G T T >5TS- 0 0 48.1 -137.7 -171.1 -7.7 132.9 93.1 0 0.0 75 -0.6 0 0.0 0 0.0 7 29
73 A 73 ASN N T h > 35TS+ 0 0 -74.9 -2.8 177.8 107.9 100.8 71.8 0 0.0 77 -3.0 0 0.0 0 0.0 9 28
74 A 74 ALA A H H > <5TS+ 0 0 -45.7 -65.2 179.5 50.4 76.4 19.8 71 -1.9 78 -2.3 0 0.0 0 0.0 10 33
75 A 75 LEU L H H > X 3 TS+ 0 0 -49.2 -55.2 -177.5 51.4 113.6 19.8 0 0.0 80 -3.1 0 0.0 0 0.0 9 40
77 A 77 LYS K H H X 3 TS+ 0 0 -55.1 -30.5 178.6 50.5 111.9 38.3 73 -3.0 81 -1.5 0 0.0 0 0.0 8 26
78 A 78 GLU E H H X < TS+ 0 0 -70.6 -49.1 -177.8 42.8 113.7 15.6 74 -2.3 82 -0.7 75 -0.8 0 0.0 8 36
79 A 79 VAL V H H X >TS+ 0 0 -61.7 -42.9 -175.7 49.7 116.2 35.8 75 -2.7 84 -2.4 0 0.0 83 -0.8 11 48
80 A 80 GLU E H H < >5TS+ 0 0 -59.9 -64.1 -177.4 55.4 102.7 3.3 76 -3.1 83 -3.3 0 0.0 0 0.0 9 25
81 A 81 SER S H H < 35TS+ 0 0 -50.6 -16.0 175.1 48.4 111.1 52.7 77 -1.5 0 0.0 0 0.0 0 0.0 7 22
82 A 82 MET M H H < 35TS- 0 0 -88.6 -35.9 -176.7 -120.2 114.8 42.2 78 -0.7 0 0.0 0 0.0 0 0.0 8 31
83 A 83 GLY G T h < <5T + 0 0 102.3 17.2 -179.5 144.4 63.9 53.8 80 -3.3 0 0.0 79 -0.8 0 0.0 8 29
84 A 84 ALA A t T - 34 0 -79.2 144.4 -165.4 -117.8 50.5 123.2 0 0.0 105 -2.3 0 0.0 0 0.0 11 38
103 A 103 SER S G e > TS+ 0 0 -66.0 -23.1 175.1 58.3 112.9 39.6 33 -4.5 106 -1.0 0 0.0 0 0.0 12 43
104 A 104 LYS K G T 3 TS+ 0 0 -77.4 0.2 -173.6 72.6 93.3 64.1 0 0.0 0 0.0 0 0.0 0 0.0 6 35
105 A 105 ASP D G h > < T + 0 0 -101.8 2.1 174.4 102.2 61.1 71.5 102 -2.3 109 -2.8 0 0.0 0 0.0 9 41
106 A 106 LEU L H H > <>TS+ 0 0 -48.9 -58.8 166.4 66.7 71.1 21.6 103 -1.0 110 -1.1 0 0.0 111 -0.6 12 53
107 A 107 PRO P H H > 5TS+ 0 0 -18.6 -82.3 -173.6 23.7 117.6 31.7 0 0.0 111 -1.0 0 0.0 0 0.0 8 38
108 A 108 LYS K H H > 5TS+ 0 0 -70.0 -27.4 -178.3 62.7 121.0 37.4 0 0.0 112 -1.7 0 0.0 0 0.0 7 45
109 A 109 ALA A H H X >5TS+ 0 0 -58.3 -78.0 178.5 40.1 105.1 14.6 105 -2.8 112 -2.2 0 0.0 113 -1.9 11 55
110 A 110 VAL V H H X 35TS+ 0 0 -43.2 -30.4 177.9 56.1 114.4 49.6 106 -1.1 114 -1.7 0 0.0 0 0.0 11 61
111 A 111 GLU E H H X 3 > T - 0 0 -88.3 160.1 175.4 -108.6 41.6 106.1 121 -0.9 127 -2.4 0 0.0 126 -0.7 6 33
124 A 124 ASP D H H > > TS+ 0 0 -42.6 -46.2 177.0 56.3 121.8 23.9 0 0.0 128 -2.9 0 0.0 127 -0.5 7 30
125 A 125 SER S H H > 3 TS+ 0 0 -51.9 -48.9 -178.9 44.6 108.2 28.5 0 0.0 129 -0.6 0 0.0 0 0.0 6 22
126 A 126 GLN Q H H > < TS+ 0 0 -69.3 -33.1 179.7 52.6 112.4 39.0 123 -0.7 130 -2.0 0 0.0 0 0.0 9 35
127 A 127 ILE I H H X < TS+ 0 0 -68.1 -49.4 178.6 43.9 113.0 9.8 123 -2.4 131 -1.6 124 -0.5 0 0.0 10 40
128 A 128 GLU E H H X TS+ 0 0 -70.0 -9.8 177.4 50.8 114.4 58.6 124 -2.9 132 -0.6 0 0.0 0 0.0 8 30
129 A 129 LYS K H H X TS+ 0 0 -91.2 -37.4 177.0 47.9 110.9 33.7 125 -0.6 133 -0.9 0 0.0 0 0.0 8 31
130 A 130 GLU E H H X TS+ 0 0 -73.6 -22.4 175.6 59.9 105.1 47.9 126 -2.0 134 -2.1 0 0.0 0 0.0 11 43
131 A 131 ARG R H H X TS+ 0 0 -67.9 -61.3 173.7 46.8 105.8 11.7 127 -1.6 135 -2.9 0 0.0 0 0.0 10 40
132 A 132 ASP D H H X TS+ 0 0 -43.8 -39.7 -172.3 50.9 114.0 41.7 128 -0.6 136 -1.4 0 0.0 0 0.0 8 30
133 A 133 VAL V H H X TS+ 0 0 -75.5 -41.4 -178.6 44.4 110.9 27.0 129 -0.9 137 -3.4 0 0.0 0 0.0 8 32
134 A 134 ILE I H H X TS+ 0 0 -68.3 -39.2 172.9 56.0 109.5 20.9 130 -2.1 138 -3.0 0 0.0 0 0.0 10 40
135 A 135 LEU L H H X TS+ 0 0 -52.7 -45.2 174.4 46.6 111.4 12.4 131 -2.9 139 -2.1 0 0.0 0 0.0 10 33
136 A 136 GLN Q H H X TS+ 0 0 -61.3 -48.3 -178.4 52.8 109.3 16.4 132 -1.4 140 -2.3 0 0.0 0 0.0 8 27
137 A 137 GLU E H H X TS+ 0 0 -54.3 -47.8 178.5 52.5 107.1 15.9 133 -3.4 141 -3.1 0 0.0 0 0.0 8 31
138 A 138 LEU L H H X TS+ 0 0 -50.0 -45.9 176.2 53.5 106.8 23.3 134 -3.0 142 -2.3 0 0.0 0 0.0 10 35
139 A 139 GLN Q H H < TS+ 0 0 -56.6 -41.1 179.3 45.2 111.8 17.0 135 -2.1 0 0.0 0 0.0 0 0.0 8 24
140 A 140 GLU E H H < > TS+ 0 0 -74.5 -31.3 -178.2 60.5 105.7 18.7 136 -2.3 143 -2.0 0 0.0 0 0.0 8 20
141 A 141 ASN N H H < > TS+ 0 0 -62.8 -36.4 -179.9 60.8 96.9 21.9 137 -3.1 144 -2.3 0 0.0 0 0.0 9 27
142 A 142 ASP D T h < 3 TS+ 0 0 -59.3 -24.9 -178.4 65.5 92.7 45.0 138 -2.3 0 0.0 0 0.0 0 0.0 9 31
143 A 143 THR T T T < TS+ 0 0 -71.9 -18.1 -178.4 85.2 88.8 80.6 140 -2.0 145 -0.6 0 0.0 0 0.0 7 25
144 A 144 SER S h > < T - 0 0 -96.6 111.0 -178.6 -174.2 55.5 153.6 141 -2.3 148 -3.2 0 0.0 0 0.0 8 32
145 A 145 MET M H H > TS+ 0 0 -73.4 -22.9 179.9 54.2 86.3 40.9 143 -0.6 149 -1.1 0 0.0 0 0.0 9 43
146 A 146 ARG R H H > TS+ 0 0 -71.4 -50.4 178.1 39.9 115.5 20.3 0 0.0 150 -2.6 0 0.0 0 0.0 7 41
147 A 147 ASP D H H > TS+ 0 0 -57.4 -56.4 -178.4 51.3 115.3 7.1 0 0.0 151 -2.2 0 0.0 0 0.0 9 37
148 A 148 VAL V H H X TS+ 0 0 -53.9 -38.1 -177.5 46.7 113.5 37.4 144 -3.2 152 -1.5 0 0.0 0 0.0 11 47
149 A 149 VAL V H H X TS+ 0 0 -77.0 -45.7 178.1 49.0 109.7 18.1 145 -1.1 153 -2.2 0 0.0 0 0.0 14 53
150 A 150 PHE F H H X TS+ 0 0 -60.4 -38.1 170.9 54.3 108.9 33.8 146 -2.6 154 -1.7 0 0.0 0 0.0 10 57
151 A 151 ASN N H H X > TS+ 0 0 -49.3 -59.5 179.5 50.0 109.3 13.0 147 -2.2 155 -2.9 0 0.0 154 -0.7 11 56
152 A 152 TYR Y H H X 3 TS+ 0 0 -46.3 -46.2 -174.9 56.3 105.5 29.1 148 -1.5 156 -2.4 0 0.0 0 0.0 10 51
153 A 153 LEU L H H X 3 TS+ 0 0 -59.8 -40.9 -178.2 43.9 110.6 19.8 149 -2.2 157 -2.5 0 0.0 0 0.0 14 57
154 A 154 HIS H H H X < TS+ 0 0 -68.2 -53.2 174.1 53.9 111.6 12.6 150 -1.7 158 -3.1 151 -0.7 0 0.0 13 62
155 A 155 ALA A H H < TS+ 0 0 -41.7 -51.5 -175.4 33.0 119.2 30.8 151 -2.9 0 0.0 0 0.0 0 0.0 12 52
156 A 156 THR T H H < > TS+ 0 0 -82.3 -30.3 -178.7 57.5 114.7 37.3 152 -2.4 159 -1.0 0 0.0 0 0.0 16 46
157 A 157 ALA A H H < 3 TS+ 0 0 -60.6 -41.9 -173.2 23.6 125.8 22.6 153 -2.5 237 -2.1 0 0.0 0 0.0 15 54
158 A 158 PHE F T h < > TS- 0 0 -120.6 47.8 177.4 -179.9 85.4 108.3 154 -3.1 161 -2.0 0 0.0 0 0.0 13 48
159 A 159 GLN Q T T < TS+ 0 0 -46.3 144.1 170.3 13.2 71.5 95.9 156 -1.0 0 0.0 0 0.0 0 0.0 10 35
160 A 160 GLY G T T 3 TS+ 0 0 59.4 24.7 161.2 114.3 102.3 43.2 0 0.0 0 0.0 0 0.0 0 0.0 6 31
161 A 161 THR T S g X TS- 0 0 -125.7 153.3 177.4 -122.0 74.6 169.5 158 -2.0 164 -3.2 0 0.0 0 0.0 9 41
162 A 162 PRO P G G > TS+ 0 0 -49.6 -34.5 174.4 63.4 110.4 38.3 0 0.0 165 -1.5 0 0.0 0 0.0 11 48
163 A 163 LEU L G G 3 TS+ 0 0 -69.3 -14.6 179.9 69.5 88.8 51.6 0 0.0 0 0.0 0 0.0 0 0.0 12 57
164 A 164 ALA A G G < TS+ 0 0 -88.5 8.2 178.1 104.8 77.7 65.2 161 -3.2 0 0.0 0 0.0 0 0.0 14 57
165 A 165 GLN Q S g < TS- 0 0 -85.3 164.4 -178.6 -98.2 81.8 114.8 162 -1.5 167 -0.7 0 0.0 0 0.0 15 48
166 A 166 SER S t > T - 0 0 -83.1 115.6 176.8 -142.2 18.8 137.3 0 0.0 169 -2.6 0 0.0 0 0.0 11 57
167 A 167 VAL V T T 3 TS+ 0 0 -37.3 -54.5 178.8 59.9 106.2 27.0 165 -0.7 0 0.0 0 0.0 0 0.0 13 57
168 A 168 GLU E T T 3 TS- 0 0 -41.0 -42.3 -178.4 -124.9 116.0 35.4 0 0.0 0 0.0 0 0.0 0 0.0 9 61
169 A 169 GLY G t < T - 0 0 94.5 126.2 173.2 -62.9 30.4 65.1 166 -2.6 0 0.0 0 0.0 0 0.0 13 60
170 A 170 PRO P h > T - 0 0 -32.8 124.8 -176.9 -112.7 56.5 92.3 0 0.0 174 -1.2 0 0.0 0 0.0 10 44
171 A 171 SER S H H > > TS+ 0 0 -26.6 -82.2 -163.8 43.0 107.3 35.2 0 0.0 174 -0.6 0 0.0 175 -0.5 8 35
172 A 172 GLU E H H > > TS+ 0 0 -55.1 -41.2 168.2 67.5 99.1 43.8 0 0.0 176 -2.4 0 0.0 175 -1.4 6 33
173 A 173 ASN N H H > > TS+ 0 0 -37.6 -63.3 174.1 61.0 96.5 15.9 0 0.0 177 -3.9 0 0.0 176 -0.5 12 40
174 A 174 VAL V H H < < TS+ 0 0 -30.5 -51.1 -179.0 43.0 108.2 36.0 170 -1.2 0 0.0 171 -0.6 0 0.0 12 47
175 A 175 ARG R H H < < TS+ 0 0 -60.2 -54.0 -175.2 37.6 122.2 16.0 172 -1.4 0 0.0 171 -0.5 0 0.0 7 38
176 A 176 LYS K H H < < TS+ 0 0 -65.1 -36.3 -166.6 130.7 81.7 40.3 172 -2.4 0 0.0 173 -0.5 0 0.0 6 30
177 A 177 LEU L h < T - 0 0 -39.8 117.3 175.4 -133.9 55.3 92.8 173 -3.9 0 0.0 0 0.0 0 0.0 10 42
178 A 178 SER S h > > T - 0 0 -71.0 134.7 179.0 -130.1 9.3 118.9 0 0.0 181 -1.6 0 0.0 182 -0.5 6 34
179 A 179 ARG R H H > 3 TS+ 0 0 -54.7 -32.0 173.3 59.8 107.5 46.9 0 0.0 183 -0.7 0 0.0 0 0.0 8 35
180 A 180 ALA A H H > 3 TS+ 0 0 -59.0 -37.2 -167.2 66.3 94.3 38.0 0 0.0 184 -1.7 0 0.0 0 0.0 6 29
181 A 181 ASP D H H > < TS+ 0 0 -66.8 -30.8 179.7 59.5 90.9 44.3 178 -1.6 185 -2.4 0 0.0 0 0.0 10 36
182 A 182 LEU L H H X TS+ 0 0 -63.4 -46.9 174.2 50.8 106.1 17.7 178 -0.5 186 -3.2 0 0.0 0 0.0 11 51
183 A 183 THR T H H X TS+ 0 0 -48.9 -67.4 -179.8 47.6 109.3 18.4 179 -0.7 187 -3.2 0 0.0 0 0.0 8 37
184 A 184 GLU E H H X TS+ 0 0 -46.3 -48.8 173.9 51.7 113.1 22.5 180 -1.7 188 -3.2 0 0.0 0 0.0 8 32
185 A 185 TYR Y H H X TS+ 0 0 -49.9 -66.8 -179.2 37.7 115.7 19.7 181 -2.4 189 -1.9 0 0.0 0 0.0 11 47
186 A 186 LEU L H H X > TS+ 0 0 -50.2 -58.8 -170.6 51.8 117.7 11.8 182 -3.2 190 -4.0 0 0.0 189 -2.2 9 56
187 A 187 SER S H H X 3 TS+ 0 0 -46.0 -60.9 179.0 40.2 115.3 30.9 183 -3.2 191 -0.6 0 0.0 0 0.0 8 37
188 A 188 ARG R H H < 3 TS+ 0 0 -60.8 -31.8 -172.2 29.2 127.6 50.0 184 -3.2 0 0.0 0 0.0 0 0.0 7 39
189 A 189 HIS H H H < < TS+ 0 0 -112.2 -14.6 -179.2 66.8 105.2 49.1 186 -2.2 0 0.0 185 -1.9 0 0.0 8 54
190 A 190 TYR Y H H < TS+ 0 0 -84.0 7.7 -178.8 110.8 73.2 50.0 186 -4.0 192 -0.9 0 0.0 0 0.0 13 57
191 A 191 LYS K h < > T - 0 0 -80.4 95.3 176.6 -124.4 66.7 121.0 187 -0.6 194 -1.0 0 0.0 0 0.0 12 49
192 A 192 ALA A T T 3 TS+ 0 0 -54.3 160.8 19.8 90.5 95.7 102.4 190 -0.9 0 0.0 0 0.0 0 0.0 12 51
193 A 193 PRO P T T 3 TS+ 0 0 -54.6 -19.8 -177.2 58.3 109.7 158.1 0 0.0 0 0.0 0 0.0 0 0.0 11 49
194 A 194 ARG R S t < TS+ 0 0 -45.2 -62.9 176.8 69.2 95.3 24.9 191 -1.0 0 0.0 0 0.0 0 0.0 12 57
195 A 195 MET M e - 0 0 -57.8 146.8 163.1 -162.9 62.9 114.9 0 0.0 24 -0.6 0 0.0 0 0.0 13 66
196 A 196 VAL V E E Ab - 24 0 -126.3 134.2 174.7 -150.1 10.6 170.3 0 0.0 40 -2.9 0 0.0 198 -0.7 16 69
197 A 197 LEU L E E AbE + 25 39 -105.1 108.6 -175.7 168.6 33.9 154.8 24 -3.8 26 -1.7 0 0.0 0 0.0 13 80
198 A 198 ALA A E E A E + 0 38 -117.1 166.2 172.7 174.7 11.4 153.7 38 -3.9 38 -3.0 196 -0.7 0 0.0 15 75
199 A 199 ALA A E E A E - 0 37 -172.2 154.8 -172.9 -153.9 12.7 169.0 0 0.0 28 -1.2 0 0.0 0 0.0 15 77
200 A 200 ALA A E E AcE + 28 36 -133.6 151.2 175.9 34.0 48.6 171.3 36 -0.6 36 -1.0 0 0.0 0 0.0 16 62
201 A 201 GLY G E E Ac S+ 29 0 128.9 -112.6 179.3 2.0 102.6 159.7 28 -2.4 30 -5.7 0 0.0 31 -1.3 16 52
202 A 202 GLY G S S S+ 0 0 -100.3 -3.6 -179.7 109.0 93.6 60.2 0 0.0 0 0.0 0 0.0 0 0.0 12 40
203 A 3 LEU L - 0 0 -80.0 156.3 175.2 -123.0 66.7 107.0 0 0.0 0 0.0 0 0.0 0 0.0 14 50
204 A 204 GLU E h > T - 0 0 -96.6 123.7 -176.2 -139.0 17.0 142.9 0 0.0 208 -2.2 0 0.0 0 0.0 8 40
205 A 205 HIS H H H > TS+ 0 0 -45.2 -58.3 169.6 64.0 99.8 20.0 0 0.0 209 -2.3 0 0.0 0 0.0 11 44
206 A 206 ARG R H H > TS+ 0 0 -24.4 -62.5 175.2 43.8 106.1 34.3 0 0.0 210 -1.7 0 0.0 0 0.0 6 33
207 A 207 GLN Q H H > TS+ 0 0 -59.3 -52.4 -177.1 56.5 109.1 19.4 0 0.0 211 -4.0 0 0.0 0 0.0 8 40
208 A 208 LEU L H H X TS+ 0 0 -45.3 -58.9 -178.0 46.5 109.2 17.7 204 -2.2 212 -1.2 0 0.0 0 0.0 11 52
209 A 209 LEU L H H < TS+ 0 0 -47.3 -48.1 179.9 43.9 117.0 37.8 205 -2.3 0 0.0 0 0.0 0 0.0 11 43
210 A 210 ASP D H H < TS+ 0 0 -65.6 -40.8 -167.4 58.8 108.7 13.7 206 -1.7 0 0.0 0 0.0 0 0.0 6 35
211 A 211 LEU L H H < TS+ 0 0 -76.8 -10.5 178.6 109.5 76.0 54.1 207 -4.0 213 -0.8 0 0.0 0 0.0 8 41
212 A 212 ALA A S h < TS- 0 0 -67.4 107.8 -179.9 -124.1 76.9 124.2 208 -1.2 214 -0.7 0 0.0 0 0.0 9 50
213 A 213 GLN Q - 0 0 -58.9 100.5 -178.8 -149.7 17.9 108.2 211 -0.8 215 -1.4 0 0.0 0 0.0 6 42
214 A 214 LYS K + 0 0 -73.4 81.7 -168.0 130.8 51.3 127.0 212 -0.7 0 0.0 0 0.0 0 0.0 6 37
215 A 215 HIS H + 0 0 -115.7 -35.1 174.1 7.0 64.9 45.9 213 -1.4 0 0.0 0 0.0 0 0.0 4 34
216 A 216 PHE F - 0 0 -155.3 149.4 -163.6 -171.9 65.0 173.8 0 0.0 0 0.0 0 0.0 0 0.0 6 34
217 A 217 SER S - 0 0 -136.5 174.9 -179.9 -53.3 42.4 135.5 0 0.0 0 0.0 0 0.0 0 0.0 12 35
218 A 218 GLY G - 0 0 -61.6 115.3 176.5 -159.9 38.1 116.2 21 -0.5 220 -1.0 0 0.0 0 0.0 9 33
219 A 219 LEU L + 0 0 -89.1 49.7 -177.1 118.1 54.4 107.9 0 0.0 0 0.0 0 0.0 0 0.0 5 27
220 A 220 SER S - 0 0 -117.2 177.8 -176.4 -66.6 65.2 122.9 218 -1.0 0 0.0 0 0.0 0 0.0 5 27
221 A 221 GLY G - 0 0 -62.2 158.5 175.2 -152.8 18.2 97.3 0 0.0 0 0.0 0 0.0 0 0.0 7 20
222 A 222 THR T S S S+ 0 0 -104.1 -13.2 179.9 46.3 78.8 56.7 0 0.0 0 0.0 0 0.0 0 0.0 5 16
223 A 223 TYR Y S t > TS- 0 0 -118.6 -170.6 179.5 -76.0 102.6 117.1 0 0.0 226 -1.2 0 0.0 0 0.0 6 11
224 A 224 ASP D T T 3 TS+ 0 0 -61.2 -18.1 -178.4 88.2 103.8 52.4 0 0.0 0 0.0 0 0.0 0 0.0 7 10
225 A 225 GLU E T T 3 TS+ 0 0 -64.4 -18.8 168.3 50.2 91.0 47.6 0 0.0 0 0.0 0 0.0 0 0.0 6 11
226 A 226 ASP D S t < TS+ 0 0 -75.3 -33.9 -173.1 94.7 86.8 35.1 223 -1.2 0 0.0 0 0.0 0 0.0 9 20
227 A 227 ALA A + 0 0 -38.0 -30.8 170.0 112.3 47.7 56.4 0 0.0 0 0.0 0 0.0 0 0.0 6 12
228 A 228 VAL V S S S- 0 0 -44.2 102.3 -179.0 -111.6 84.1 108.8 0 0.0 0 0.0 0 0.0 0 0.0 6 14
229 A 229 PRO P - 0 0 -45.0 124.5 173.0 -171.7 31.4 97.8 0 0.0 0 0.0 0 0.0 0 0.0 6 21
230 A 230 THR T S S S+ 0 0 -83.0 -23.2 177.3 63.9 93.1 42.3 0 0.0 232 -0.9 0 0.0 0 0.0 5 36
231 A 231 LEU L S S S+ 0 0 -93.9 56.6 178.4 168.1 78.1 124.7 0 0.0 0 0.0 0 0.0 0 0.0 6 34
232 A 232 SER S - 0 0 -78.6 127.2 177.7 -92.1 46.2 128.4 230 -0.9 0 0.0 0 0.0 0 0.0 6 29
233 A 233 PRO P - 0 0 -30.4 148.2 170.4 -131.6 35.3 84.9 0 0.0 0 0.0 0 0.0 0 0.0 6 32
234 A 234 CYS C - 0 0 -108.6 128.8 -177.6 -107.7 30.4 162.4 0 0.0 0 0.0 0 0.0 0 0.0 10 39
235 A 235 ARG R - 0 0 -62.5 130.4 -176.2 -127.4 30.2 119.5 0 0.0 0 0.0 0 0.0 0 0.0 7 34
236 A 236 PHE F - 0 0 -82.3 124.2 -177.5 -177.4 29.5 113.5 0 0.0 0 0.0 0 0.0 0 0.0 8 41
237 A 237 THR T - 0 0 -132.4 126.2 -178.7 -152.5 23.2 156.3 157 -2.1 239 -1.4 0 0.0 0 0.0 9 41
238 A 238 GLY G + 0 0 -96.5 89.4 -178.6 133.2 48.3 126.2 0 0.0 0 0.0 0 0.0 0 0.0 11 49
239 A 239 SER S e - 0 0 -121.3 178.1 167.7 -131.6 46.1 137.8 237 -1.4 422 -2.2 0 0.0 0 0.0 10 43
240 A 240 GLN Q E E Bg - 422 0 -129.6 154.8 171.9 -163.1 7.2 164.0 0 0.0 0 0.0 0 0.0 0 0.0 9 48
241 A 241 ILE I E E Bg - 423 0 -132.7 104.2 -177.5 -170.5 13.4 171.2 422 -1.9 424 -1.2 0 0.0 243 -0.5 10 46
242 A 242 CYS C E E Bg - 424 0 -105.6 125.5 -173.2 -177.9 7.0 164.9 0 0.0 244 -0.5 0 0.0 0 0.0 10 42
243 A 243 HIS H E E Bg - 425 0 -128.2 89.1 -175.7 -156.2 14.3 152.0 424 -1.7 426 -1.8 241 -0.5 0 0.0 9 41
244 A 244 ARG R + 0 0 -74.3 128.3 173.2 160.4 25.0 124.3 242 -0.5 0 0.0 0 0.0 0 0.0 10 32
245 A 245 GLU E t > T - 0 0 -146.6 73.2 175.8 -177.5 12.6 116.1 0 0.0 248 -2.6 0 0.0 0 0.0 9 30
246 A 246 ASP D T T 3 TS+ 0 0 -45.8 -6.8 177.3 78.6 77.6 60.7 0 0.0 0 0.0 0 0.0 0 0.0 8 24
247 A 247 GLY G T T 3 TS+ 0 0 -81.8 -7.7 -176.5 84.5 78.4 60.4 0 0.0 0 0.0 0 0.0 0 0.0 6 20
248 A 248 LEU L S t < TS- 0 0 -100.7 144.6 -177.9 -135.8 76.8 142.2 245 -2.6 0 0.0 0 0.0 0 0.0 8 28
249 A 249 PRO P S S S+ 0 0 -62.8 -51.9 -176.4 28.7 79.3 33.3 0 0.0 0 0.0 0 0.0 0 0.0 7 29
250 A 250 LEU L S S S- 0 0 -112.3 177.5 -170.9 -118.2 75.3 120.4 0 0.0 0 0.0 0 0.0 0 0.0 10 44
251 A 251 ALA A E E BH - 326 0 -126.2 136.6 -179.2 -157.0 15.3 163.2 326 -1.2 326 -2.2 0 0.0 0 0.0 16 52
252 A 252 HIS H E E BHI + 325 425 -119.8 122.2 178.6 176.8 14.1 173.0 425 -0.9 425 -1.4 0 0.0 0 0.0 14 62
253 A 253 VAL V E E BHI - 324 424 -128.9 130.0 174.1 -171.1 11.3 175.0 324 -2.2 324 -2.4 0 0.0 0 0.0 12 74
254 A 254 ALA A E E BHI + 323 423 -117.9 114.9 174.3 178.8 10.8 172.4 423 -3.2 423 -1.8 0 0.0 0 0.0 14 67
255 A 255 ILE I E E B I + 0 422 -113.9 124.8 177.2 156.7 11.6 163.5 322 -1.5 0 0.0 0 0.0 0 0.0 13 77
256 A 256 ALA A E E B I - 0 421 -148.3 145.7 170.9 -147.2 30.2 162.7 421 -2.0 421 -2.1 0 0.0 0 0.0 11 69
257 A 257 VAL V - 0 0 -106.8 149.8 -175.2 -90.0 43.5 156.3 320 -2.7 0 0.0 0 0.0 0 0.0 14 62
258 A 258 GLU E - 0 0 -65.4 142.1 -176.4 -175.9 48.3 86.1 0 0.0 0 0.0 0 0.0 0 0.0 13 59
259 A 259 GLY G - 0 0 -129.4 -168.7 -169.7 -73.6 25.1 130.1 0 0.0 0 0.0 0 0.0 0 0.0 11 54
260 A 260 PRO P - 0 0 -86.1 177.0 179.3 -97.2 48.0 93.1 0 0.0 314 -0.6 0 0.0 0 0.0 14 41
261 A 261 GLY G - 0 0 -75.7 -153.2 -178.9 -75.1 55.1 78.3 0 0.0 0 0.0 0 0.0 0 0.0 11 38
262 A 262 TRP W S S S+ 0 0 -76.8 -30.3 -171.0 59.5 116.3 40.2 0 0.0 264 -0.7 0 0.0 0 0.0 10 40
263 A 263 ALA A S S S+ 0 0 -109.7 103.7 179.3 112.5 71.4 149.0 0 0.0 0 0.0 0 0.0 0 0.0 8 35
264 A 264 HIS H t > T - 0 0 -173.8 132.9 173.8 -129.6 62.5 140.4 262 -0.7 267 -2.0 0 0.0 0 0.0 8 39
265 A 265 PRO P T h > > TS+ 0 0 -44.0 -33.5 -170.7 57.8 112.0 44.8 0 0.0 269 -0.6 0 0.0 268 -0.5 6 36
266 A 266 ASP D H H > 3 TS+ 0 0 -76.5 -23.4 -174.0 72.6 92.0 37.1 0 0.0 270 -2.5 0 0.0 0 0.0 8 44
267 A 267 ASN N H H 4 < TS+ 0 0 -76.9 -4.9 176.3 41.4 98.4 75.3 264 -2.0 0 0.0 0 0.0 0 0.0 10 54
268 A 268 VAL V H H > < TS+ 0 0 -107.1 -32.9 -177.4 57.0 112.6 58.2 265 -0.5 272 -2.3 0 0.0 0 0.0 10 57
269 A 269 ALA A H H X TS+ 0 0 -66.4 -42.0 168.1 52.8 103.8 19.5 265 -0.6 273 -0.9 0 0.0 0 0.0 14 60
270 A 270 LEU L H H X > TS+ 0 0 -49.1 -57.7 178.4 54.1 106.0 10.9 266 -2.5 273 -2.7 0 0.0 274 -1.8 12 68
271 A 271 GLN Q H H > 3 TS+ 0 0 -47.9 -48.2 179.4 51.9 105.9 27.0 0 0.0 275 -2.2 0 0.0 0 0.0 10 65
272 A 272 VAL V H H X 3 TS+ 0 0 -61.0 -29.9 179.1 51.3 109.5 38.3 268 -2.3 276 -0.8 0 0.0 0 0.0 15 60
273 A 273 ALA A H H X X TS+ 0 0 -75.2 -47.0 168.1 46.7 109.9 13.2 270 -2.7 276 -2.1 269 -0.9 277 -0.8 13 70
274 A 274 ASN N H H X 3 TS+ 0 0 -56.7 -26.8 172.1 68.2 101.7 45.1 270 -1.8 278 -2.5 0 0.0 0 0.0 11 69
275 A 275 ALA A H H < 3 TS+ 0 0 -52.6 -43.9 -178.2 49.0 101.3 22.7 271 -2.2 0 0.0 0 0.0 0 0.0 11 54
276 A 276 ILE I H H < < TS+ 0 0 -67.9 -52.8 170.8 42.6 112.0 14.0 273 -2.1 0 0.0 272 -0.8 0 0.0 11 60
277 A 277 ILE I H H < TS+ 0 0 -52.3 -56.1 173.8 179.7 96.5 23.8 273 -0.8 0 0.0 0 0.0 0 0.0 12 67
278 A 278 GLY G h < T - 0 0 92.8 -141.8 -166.8 -82.8 27.4 137.0 274 -2.5 309 -1.4 0 0.0 0 0.0 11 56
279 A 279 HIS H E E BJ - 308 0 -176.3 129.1 -166.1 -164.5 41.3 149.9 0 0.0 0 0.0 0 0.0 0 0.0 9 54
280 A 280 TYR Y E E BJ - 307 0 -142.1 151.0 -175.8 -168.9 7.1 178.6 307 -4.4 307 -2.3 0 0.0 0 0.0 10 44
281 A 281 ASP D E E BJ > T - 306 0 -140.6 152.8 174.5 -106.1 41.8 152.5 0 0.0 284 -2.2 0 0.0 0 0.0 8 40
282 A 282 CYS C T e 3 TS+ 0 0 -40.0 -31.7 -173.9 48.8 122.2 49.4 305 -0.7 0 0.0 0 0.0 0 0.0 7 31
283 A 283 THR T T T 3 TS+ 0 0 -103.6 9.6 -179.4 130.4 72.7 79.3 0 0.0 285 -0.7 0 0.0 0 0.0 4 24
284 A 284 TYR Y t X T - 0 0 -70.8 130.2 -172.0 -142.1 52.7 123.9 281 -2.2 287 -2.1 0 0.0 0 0.0 7 28
285 A 285 GLY G T T 3 TS+ 0 0 -65.0 -25.1 -172.2 50.1 93.3 42.5 283 -0.7 0 0.0 0 0.0 0 0.0 4 20
286 A 286 GLY G T g > > T + 0 0 -94.5 -8.5 -178.7 153.7 69.3 51.2 0 0.0 289 -3.5 0 0.0 290 -0.9 6 25
287 A 287 GLY G G G 4 X TS+ 0 0 17.9 -125.1 -172.0 22.2 74.1 70.0 284 -2.1 290 -4.0 0 0.0 0 0.0 10 30
288 A 288 ALA A G G 4 3 TS+ 0 0 -42.0 -17.0 -177.9 53.7 125.0 55.4 0 0.0 0 0.0 0 0.0 0 0.0 9 28
289 A 289 HIS H G G 4 < TS+ 0 0 -105.1 -4.3 164.8 123.3 76.6 57.1 286 -3.5 0 0.0 0 0.0 0 0.0 6 26
290 A 290 LEU L g < < T - 0 0 -40.8 156.5 -175.6 -135.3 63.7 84.2 287 -4.0 0 0.0 286 -0.9 0 0.0 9 34
291 A 291 SER S S S S+ 0 0 -100.2 -20.6 177.0 90.6 82.1 44.1 0 0.0 0 0.0 0 0.0 0 0.0 6 35
292 A 292 SER S S h > > TS- 0 0 -79.7 109.8 180.0 -147.3 72.9 129.8 0 0.0 296 -2.7 0 0.0 295 -1.0 9 53
293 A 293 PRO P H H > 3 TS+ 0 0 -46.7 -41.7 164.3 57.5 99.6 23.5 0 0.0 297 -2.4 0 0.0 0 0.0 9 50
294 A 294 LEU L H H > 3 TS+ 0 0 -47.2 -52.7 -179.8 43.4 110.3 18.2 0 0.0 298 -2.1 0 0.0 0 0.0 11 58
295 A 295 ALA A H H > < TS+ 0 0 -54.8 -53.1 -176.1 52.4 113.4 21.2 292 -1.0 299 -1.7 0 0.0 0 0.0 15 51
296 A 296 SER S H H X TS+ 0 0 -52.2 -43.8 -179.1 49.1 109.2 34.2 292 -2.7 300 -2.1 0 0.0 0 0.0 13 39
297 A 297 ILE I H H X TS+ 0 0 -71.1 -44.5 170.9 41.6 114.7 14.1 293 -2.4 301 -3.6 0 0.0 303 -0.5 12 42
298 A 298 ALA A H H < TS+ 0 0 -69.9 -25.2 177.1 52.0 116.6 43.7 294 -2.1 304 -0.8 0 0.0 0 0.0 12 49
299 A 299 ALA A H H < > TS+ 0 0 -66.8 -66.8 179.3 35.0 118.6 19.2 295 -1.7 302 -1.7 0 0.0 0 0.0 11 40
300 A 300 THR T H H < 3 TS+ 0 0 -49.0 -57.9 -176.0 36.5 127.2 35.5 296 -2.1 0 0.0 0 0.0 0 0.0 9 30
301 A 301 ASN N T h < 3 TS- 0 0 -95.8 29.9 178.8 -119.4 101.5 81.0 297 -3.6 0 0.0 0 0.0 0 0.0 6 34
302 A 302 LYS K t < T + 0 0 40.4 41.5 -179.8 149.9 62.7 33.8 299 -1.7 0 0.0 0 0.0 0 0.0 8 38
303 A 303 LEU L + 0 0 -77.8 -27.0 179.6 11.2 56.4 49.0 297 -0.5 0 0.0 0 0.0 0 0.0 12 46
304 A 304 CYS C - 0 0 -152.5 165.2 179.0 -142.3 48.5 160.0 298 -0.8 0 0.0 0 0.0 0 0.0 14 50
305 A 305 GLN Q S e S- 0 0 -88.1 -51.3 178.4 -16.0 89.4 41.2 325 -2.6 282 -0.7 0 0.0 0 0.0 13 44
306 A 306 SER S E E BJK - 281 325 -159.1 131.1 167.9 -177.1 61.9 159.7 325 -1.1 325 -2.4 0 0.0 0 0.0 11 51
307 A 307 PHE F E E BJK + 280 324 -132.7 158.8 -166.9 179.3 2.1 166.1 280 -2.3 280 -4.4 0 0.0 0 0.0 12 62
308 A 308 GLN Q E E BJK - 279 323 -158.0 122.8 170.9 -140.7 19.9 167.5 323 -2.3 323 -0.9 0 0.0 0 0.0 10 53
309 A 309 THR T E E B K - 0 322 -80.8 148.2 177.7 -172.5 27.7 133.9 278 -1.4 0 0.0 0 0.0 0 0.0 12 60
310 A 310 PHE F E E B K - 0 321 -144.7 154.8 173.1 -157.0 26.9 168.7 321 -3.6 321 -2.0 0 0.0 0 0.0 10 54
311 A 311 ASN N E E B K - 0 320 -127.5 86.6 179.5 -160.6 17.8 140.3 0 0.0 313 -1.3 0 0.0 0 0.0 11 53
312 A 312 ILE I E E B K - 0 319 -71.5 89.0 -171.6 -152.6 13.5 122.4 319 -2.6 319 -0.6 0 0.0 0 0.0 7 49
313 A 313 CYS C E E B K + 0 318 -75.2 127.8 174.0 161.8 23.7 107.5 311 -1.3 0 0.0 0 0.0 0 0.0 11 48
314 A 314 TYR Y e - 0 0 -131.9 164.8 177.3 -108.6 45.4 143.4 317 -1.0 0 0.0 260 -0.6 0 0.0 10 51
315 A 315 ALA A S S S+ 0 0 -51.6 -79.8 -173.4 17.8 110.9 13.1 0 0.0 0 0.0 0 0.0 0 0.0 10 47
316 A 316 ASP D S S S+ 0 0 -75.5 -16.8 -175.6 2.7 133.7 47.1 0 0.0 0 0.0 0 0.0 0 0.0 10 40
317 A 317 THR T e - 0 0 -147.7 -170.4 166.4 -144.6 63.2 141.7 0 0.0 314 -1.0 0 0.0 0 0.0 13 47
318 A 318 GLY G E E B K - 0 313 -152.4 175.6 168.1 -133.6 12.1 152.6 0 0.0 0 0.0 0 0.0 0 0.0 13 60
319 A 319 LEU L E E B K + 0 312 -131.5 118.3 -177.3 173.2 31.4 163.2 312 -0.6 312 -2.6 0 0.0 0 0.0 14 63
320 A 320 LEU L E E B K + 0 311 -139.3 119.9 178.9 68.2 26.0 152.6 0 0.0 257 -2.7 0 0.0 0 0.0 13 66
321 A 321 GLY G E E B K - 0 310 173.1 -163.0 -179.2 -57.1 69.3 170.1 310 -2.0 310 -3.6 0 0.0 0 0.0 11 72
322 A 322 ALA A E E B K - 0 309 -99.2 173.1 168.9 -154.8 28.5 105.5 0 0.0 255 -1.5 0 0.0 0 0.0 12 71
323 A 323 HIS H E E BHK - 254 308 -145.0 130.6 -176.8 -174.8 16.2 168.0 308 -0.9 308 -2.3 0 0.0 0 0.0 12 66
324 A 324 PHE F E E BHK - 253 307 -130.9 148.2 171.6 -155.2 17.4 178.9 253 -2.4 253 -2.2 0 0.0 0 0.0 14 64
325 A 325 VAL V E E BHK + 252 306 -110.2 129.8 176.8 134.9 37.1 166.5 306 -2.4 305 -2.6 0 0.0 306 -1.1 12 57
326 A 326 CYS C E E BH - 251 0 -158.1 -175.8 176.5 -63.1 50.4 164.1 251 -2.2 251 -1.2 0 0.0 0 0.0 13 55
327 A 327 ASP D t > > T - 0 0 -64.7 167.5 177.7 -110.0 50.2 95.3 0 0.0 330 -1.3 0 0.0 331 -1.0 11 42
328 A 328 HIS H T T 4 3 TS+ 0 0 -69.4 -22.4 -178.7 51.4 119.1 45.1 0 0.0 0 0.0 0 0.0 0 0.0 12 37
329 A 329 MET M T T 4 3 TS+ 0 0 -98.4 9.0 -177.9 55.7 105.9 78.1 0 0.0 0 0.0 0 0.0 0 0.0 6 34
330 A 330 SER S T h > X TS+ 0 0 -120.5 -17.0 -178.2 99.4 70.8 44.2 327 -1.3 334 -2.4 0 0.0 333 -1.4 11 41
331 A 331 ILE I H H X 3 TS+ 0 0 -39.4 -48.2 -177.3 47.2 85.8 45.9 327 -1.0 335 -2.3 0 0.0 0 0.0 14 52
332 A 332 ASP D H H > 3 TS+ 0 0 -73.0 -35.1 -178.5 47.3 111.4 34.1 0 0.0 336 -1.5 0 0.0 0 0.0 10 51
333 A 333 ASP D H H > < TS+ 0 0 -76.1 -37.5 178.2 51.2 112.6 14.7 330 -1.4 337 -2.2 0 0.0 0 0.0 8 48
334 A 334 MET M H H X > TS+ 0 0 -57.1 -51.7 -178.1 48.3 110.9 17.9 330 -2.4 338 -2.1 0 0.0 337 -0.8 12 61
335 A 335 MET M H H X 3 TS+ 0 0 -57.7 -21.2 -173.2 52.6 111.6 36.8 331 -2.3 339 -1.7 0 0.0 0 0.0 10 63
336 A 336 PHE F H H X 3 TS+ 0 0 -80.4 -54.2 175.3 42.9 109.5 19.1 332 -1.5 340 -0.6 0 0.0 0 0.0 9 52
337 A 337 VAL V H H X < TS+ 0 0 -56.7 -40.2 179.7 54.0 115.3 33.1 333 -2.2 341 -0.9 334 -0.8 0 0.0 10 56
338 A 338 LEU L H H X > TS+ 0 0 -62.8 -67.8 -179.8 38.2 111.8 11.3 334 -2.1 341 -2.2 0 0.0 342 -1.8 10 66
339 A 339 GLN Q H H X 3 TS+ 0 0 -52.5 -28.2 -176.4 61.6 113.0 46.4 335 -1.7 343 -2.1 0 0.0 0 0.0 10 68
340 A 340 GLY G H H X 3 TS+ 0 0 -72.1 -29.0 179.6 49.0 102.8 34.2 336 -0.6 344 -1.2 0 0.0 0 0.0 10 51
341 A 341 GLN Q H H X X TS+ 0 0 -79.7 -44.2 163.0 51.5 110.3 14.0 338 -2.2 345 -3.2 337 -0.9 344 -0.6 11 59
342 A 342 TRP W H H X 3 TS+ 0 0 -44.5 -63.7 -177.0 45.1 112.5 26.7 338 -1.8 346 -1.8 0 0.0 0 0.0 9 68
343 A 343 MET M H H < 3 TS+ 0 0 -53.3 -49.1 -173.4 49.9 112.6 28.9 339 -2.1 0 0.0 0 0.0 0 0.0 13 50
344 A 344 ARG R H H X X TS+ 0 0 -67.9 -25.7 172.9 59.8 106.7 20.8 340 -1.2 348 -2.3 341 -0.6 347 -1.3 9 44
345 A 345 LEU L H H X 3 TS+ 0 0 -65.0 -47.4 -177.9 44.5 105.5 24.6 341 -3.2 349 -0.6 0 0.0 0 0.0 11 57
346 A 346 CYS C H H < 3 TS+ 0 0 -79.7 5.7 -172.4 26.7 128.1 76.5 342 -1.8 0 0.0 0 0.0 0 0.0 14 47
347 A 347 THR T H H 4 < TS+ 0 0 -137.2 -18.4 -171.6 30.6 129.8 68.5 344 -1.3 0 0.0 0 0.0 0 0.0 7 36
348 A 348 SER S H H < T + 0 0 -144.0 28.9 179.0 152.2 69.0 85.7 344 -2.3 0 0.0 0 0.0 0 0.0 7 34
349 A 349 ALA A h < T - 0 0 -66.6 140.8 -177.3 -149.8 31.4 111.9 345 -0.6 0 0.0 0 0.0 0 0.0 13 39
350 A 350 THR T h > T - 0 0 -111.7 150.5 -175.1 -124.1 19.1 145.3 0 0.0 354 -2.0 0 0.0 0 0.0 7 34
351 A 351 GLU E H H > TS+ 0 0 -65.1 -43.5 176.2 53.5 111.6 3.5 0 0.0 355 -2.9 0 0.0 0 0.0 8 31
352 A 352 SER S H H > TS+ 0 0 -46.5 -55.7 -179.3 48.2 109.7 26.8 0 0.0 356 -2.0 0 0.0 0 0.0 6 28
353 A 353 GLU E H H > TS+ 0 0 -52.4 -53.5 -177.8 43.6 114.0 28.4 0 0.0 357 -1.6 0 0.0 0 0.0 9 41
354 A 354 VAL V H H X TS+ 0 0 -62.7 -39.5 179.9 60.3 109.2 23.6 350 -2.0 358 -2.0 0 0.0 0 0.0 16 48
355 A 355 LEU L H H X TS+ 0 0 -54.0 -43.9 179.3 44.6 107.1 27.7 351 -2.9 359 -1.9 0 0.0 0 0.0 10 42
356 A 356 ARG R H H X TS+ 0 0 -70.1 -36.3 -176.1 50.6 112.5 31.4 352 -2.0 360 -2.1 0 0.0 0 0.0 9 38
357 A 357 GLY G H H X TS+ 0 0 -75.4 -22.5 175.4 57.6 107.4 39.9 353 -1.6 361 -1.0 0 0.0 0 0.0 13 50
358 A 358 LYS K H H X > TS+ 0 0 -61.7 -65.8 176.9 45.3 106.5 9.2 354 -2.0 362 -1.5 0 0.0 361 -1.1 13 47
359 A 359 ASN N H H X 3 TS+ 0 0 -45.1 -50.2 178.9 57.9 108.4 24.9 355 -1.9 363 -2.0 0 0.0 0 0.0 8 41
360 A 360 LEU L H H X 3 TS+ 0 0 -50.5 -46.5 -175.4 53.8 103.2 29.6 356 -2.1 364 -2.3 0 0.0 0 0.0 10 37
361 A 361 LEU L H H X < TS+ 0 0 -58.0 -41.7 176.6 55.7 104.1 23.2 358 -1.1 365 -2.8 357 -1.0 0 0.0 11 44
362 A 362 ARG R H H X TS+ 0 0 -48.4 -59.4 178.0 44.1 111.4 20.0 358 -1.5 366 -1.7 0 0.0 0 0.0 10 41
363 A 363 ASN N H H X TS+ 0 0 -57.8 -40.5 -175.0 51.0 111.4 33.9 359 -2.0 367 -3.1 0 0.0 0 0.0 8 33
364 A 364 ALA A H H X TS+ 0 0 -66.8 -37.7 -175.1 45.5 115.4 18.0 360 -2.3 368 -1.8 0 0.0 0 0.0 8 33
365 A 365 LEU L H H < TS+ 0 0 -84.2 -11.8 169.4 41.6 117.6 41.5 361 -2.8 0 0.0 0 0.0 0 0.0 8 40
366 A 366 VAL V H H < > TS+ 0 0 -89.8 -50.3 -175.1 51.0 113.6 22.1 362 -1.7 369 -0.9 0 0.0 0 0.0 8 35
367 A 367 SER S H H < > TS+ 0 0 -58.5 -33.3 176.9 60.6 101.4 37.4 363 -3.1 370 -1.5 0 0.0 0 0.0 7 26
368 A 368 HIS H T h < 3 TS+ 0 0 -59.5 -39.5 -179.8 63.2 97.0 23.0 364 -1.8 0 0.0 0 0.0 0 0.0 7 21
369 A 369 LEU L T T < TS+ 0 0 -71.4 11.1 171.1 114.9 74.1 68.1 366 -0.9 0 0.0 0 0.0 0 0.0 9 40
370 A 370 ASP D t < T + 0 0 -77.3 125.8 177.3 26.6 67.5 134.9 367 -1.5 0 0.0 0 0.0 0 0.0 8 30
371 A 371 GLY G S h > TS- 0 0 107.1 160.8 -178.6 -88.5 90.0 92.3 0 0.0 375 -1.4 0 0.0 0 0.0 6 36
372 A 372 THR T H H > TS+ 0 0 -75.4 -40.1 -174.4 50.9 116.5 17.0 0 0.0 376 -2.8 0 0.0 0 0.0 11 46
373 A 373 THR T H H > TS+ 0 0 -69.8 -41.7 177.0 48.4 109.3 23.4 0 0.0 377 -1.9 0 0.0 0 0.0 10 50
374 A 374 PRO P H H > TS+ 0 0 -58.9 -47.0 -175.6 51.1 111.9 15.7 0 0.0 378 -2.4 0 0.0 0 0.0 10 43
375 A 375 VAL V H H X TS+ 0 0 -64.9 -37.3 174.2 54.8 106.2 17.1 371 -1.4 379 -2.0 0 0.0 0 0.0 12 53
376 A 376 CYS C H H X > TS+ 0 0 -51.6 -67.5 179.1 48.6 108.5 17.3 372 -2.8 380 -2.4 0 0.0 379 -1.1 15 64
377 A 377 GLU E H H X 3>TS+ 0 0 -35.1 -57.7 -178.1 55.8 106.0 32.6 373 -1.9 381 -1.7 0 0.0 382 -0.7 11 61
378 A 378 ASP D H H X 35TS+ 0 0 -46.0 -48.9 -177.9 42.9 114.0 27.1 374 -2.4 382 -2.5 0 0.0 0 0.0 9 59
379 A 379 ILE I H H X <5TS+ 0 0 -64.2 -52.8 -176.9 42.8 117.4 21.4 375 -2.0 383 -1.0 376 -1.1 0 0.0 14 61
380 A 380 GLY G H H X >5TS+ 0 0 -59.9 -67.7 -177.5 35.9 122.8 4.8 376 -2.4 383 -2.0 0 0.0 384 -1.0 16 63
381 A 381 ARG R H H X >5TS+ 0 0 -50.9 -48.5 -175.7 65.5 108.9 22.9 377 -1.7 385 -3.0 0 0.0 384 -2.2 10 61
382 A 382 SER S H H < 3 TS- 0 0 -82.3 21.0 -174.8 -115.4 110.0 80.6 0 0.0 389 -0.8 0 0.0 0 0.0 9 39
387 A 387 GLY G T T 3 T - 0 0 69.3 -157.7 -170.6 -29.5 68.3 109.4 0 0.0 0 0.0 0 0.0 0 0.0 7 43
388 A 388 ARG R T T 3 TS+ 0 0 -73.4 -12.3 -173.0 120.1 101.0 44.6 0 0.0 0 0.0 0 0.0 0 0.0 8 41
389 A 389 ARG R t < T - 0 0 -57.5 155.0 163.0 -157.5 49.8 98.7 386 -0.8 0 0.0 0 0.0 0 0.0 7 37
390 A 390 ILE I t > T + 0 0 -122.1 67.9 178.6 177.9 16.4 126.7 0 0.0 393 -0.8 0 0.0 392 -0.7 9 49
391 A 391 PRO P T h > 3 T + 0 0 -49.9 2.4 -170.5 117.3 40.8 66.9 0 0.0 395 -3.2 0 0.0 0 0.0 6 45
392 A 392 LEU L H H > 3 TS+ 0 0 -50.9 -44.9 -178.1 35.2 80.9 40.2 390 -0.7 396 -0.8 0 0.0 0 0.0 6 50
393 A 393 ALA A H H > < TS+ 0 0 -83.4 -33.1 175.5 55.6 115.9 30.5 390 -0.8 397 -0.8 0 0.0 0 0.0 10 36
394 A 394 GLU E H H > > TS+ 0 0 -58.9 -47.7 178.3 73.4 94.8 25.8 0 0.0 398 -2.7 0 0.0 397 -0.8 7 37
395 A 395 TRP W H H X 3>TS+ 0 0 -31.3 -73.8 -177.9 49.8 92.5 25.2 391 -3.2 399 -3.6 0 0.0 400 -0.6 9 46
396 A 396 GLU E H H X 35TS+ 0 0 -43.1 -36.9 175.1 48.0 114.5 27.3 392 -0.8 400 -2.2 0 0.0 0 0.0 9 41
397 A 397 SER S H H X <5TS+ 0 0 -63.8 -56.3 176.3 40.3 116.9 12.1 394 -0.8 401 -0.8 393 -0.8 0 0.0 8 31
398 A 398 ARG R H H < >5TS+ 0 0 -55.2 -54.9 175.7 50.2 116.6 16.5 394 -2.7 401 -1.6 0 0.0 0 0.0 9 38
399 A 399 ILE I H H < >5TS+ 0 0 -49.1 -41.0 -175.7 56.2 108.4 25.5 395 -3.6 402 -1.6 0 0.0 0 0.0 12 47
400 A 400 ALA A H H < 3 > T - 0 0 -81.2 148.8 -179.6 -106.2 51.2 123.9 401 -1.4 407 -1.5 0 0.0 406 -0.8 9 38
404 A 404 ALA A H H > 3 TS+ 0 0 -52.0 -32.3 172.3 61.0 121.4 39.3 0 0.0 408 -1.8 0 0.0 0 0.0 11 40
405 A 405 ARG R H H > 3 TS+ 0 0 -57.1 -40.3 179.3 54.0 101.8 21.0 0 0.0 409 -2.3 0 0.0 0 0.0 8 34
406 A 406 VAL V H H > < TS+ 0 0 -58.2 -48.5 -179.0 47.0 109.1 12.5 403 -0.8 410 -2.3 0 0.0 0 0.0 9 40
407 A 407 VAL V H H X TS+ 0 0 -63.6 -31.9 -178.0 49.7 113.6 32.9 403 -1.5 411 -1.9 0 0.0 0 0.0 16 52
408 A 408 ARG R H H X TS+ 0 0 -78.1 -47.9 169.3 42.1 112.5 6.5 404 -1.8 412 -1.7 0 0.0 0 0.0 13 45
409 A 409 GLU E H H < TS+ 0 0 -60.2 -36.9 177.8 52.5 115.1 32.2 405 -2.3 0 0.0 0 0.0 0 0.0 9 36
410 A 410 VAL V H H X > TS+ 0 0 -63.8 -44.3 -177.2 52.3 108.7 2.5 406 -2.3 413 -1.8 0 0.0 414 -0.6 12 45
411 A 411 CYS C H H X 3 TS+ 0 0 -58.1 -40.0 -178.1 56.2 103.0 43.9 407 -1.9 415 -1.8 0 0.0 0 0.0 14 57
412 A 412 SER S H H < 3 TS+ 0 0 -71.8 -18.2 -176.0 65.5 95.0 61.0 408 -1.7 0 0.0 0 0.0 0 0.0 9 46
413 A 413 LYS K H H 4 < TS+ 0 0 -70.4 -44.0 -175.3 27.7 114.8 25.8 410 -1.8 0 0.0 0 0.0 0 0.0 7 40
414 A 414 TYR Y H H < TS+ 0 0 -84.0 -37.7 -171.2 31.2 132.8 47.4 410 -0.6 0 0.0 0 0.0 0 0.0 10 57
415 A 415 PHE F S h < > TS+ 0 0 -93.2 -66.4 -177.7 90.9 91.6 22.6 411 -1.8 418 -1.9 0 0.0 0 0.0 11 56
416 A 416 TYR Y T T 3 TS- 0 0 -45.5 123.4 -171.3 -17.2 112.4 85.8 0 0.0 0 0.0 0 0.0 0 0.0 11 42
417 A 417 ASP D T T 3 TS+ 0 0 39.3 49.6 179.0 137.5 98.4 42.6 441 -2.0 0 0.0 0 0.0 0 0.0 8 38
418 A 418 GLN Q t < T - 0 0 -112.3 147.0 -175.0 -109.8 62.4 133.0 415 -1.9 0 0.0 0 0.0 0 0.0 9 42
419 A 419 CYS C - 0 0 -84.3 115.7 179.2 -136.7 35.9 140.8 0 0.0 0 0.0 0 0.0 0 0.0 9 45
420 A 420 PRO P - 0 0 -61.0 155.7 174.4 -132.8 6.7 94.1 0 0.0 0 0.0 0 0.0 0 0.0 12 63
421 A 421 ALA A E E B I - 0 256 -108.6 122.3 -162.4 -166.0 32.4 160.4 256 -2.1 256 -2.0 0 0.0 0 0.0 15 60
422 A 422 VAL V E E BgI + 240 255 -123.3 143.0 170.5 169.5 19.0 156.8 239 -2.2 241 -1.9 0 0.0 0 0.0 16 68
423 A 423 ALA A E E BgI + 241 254 -151.3 137.4 176.1 162.0 6.0 162.7 254 -1.8 254 -3.2 0 0.0 0 0.0 16 60
424 A 424 GLY G E E BgI - 242 253 -141.6 168.8 178.5 -138.3 27.6 161.7 241 -1.2 243 -1.7 0 0.0 0 0.0 15 63
425 A 425 PHE F E E BgI - 243 252 -137.6 118.8 -159.2 -55.1 53.5 174.0 252 -1.4 252 -0.9 0 0.0 0 0.0 14 48
426 A 426 GLY G S e S+ 0 0 -42.1 156.9 7.9 66.5 111.0 77.4 243 -1.8 0 0.0 0 0.0 0 0.0 16 42
427 A 427 PRO P S S S+ 0 0 -75.1 106.2 176.0 131.8 72.4 100.4 0 0.0 0 0.0 0 0.0 0 0.0 14 34
428 A 428 ILE I t > T + 0 0 -98.8 -5.4 179.6 118.5 26.9 59.4 0 0.0 431 -4.3 0 0.0 0 0.0 15 44
429 A 429 GLU E T T 3 TS+ 0 0 -31.6 -33.9 176.6 42.9 82.3 47.4 0 0.0 0 0.0 0 0.0 0 0.0 7 35
430 A 430 GLN Q T T 3 TS+ 0 0 -92.2 -14.7 175.4 122.5 83.2 53.5 0 0.0 0 0.0 0 0.0 0 0.0 10 38
431 A 431 LEU L S t < TS- 0 0 -50.6 116.8 -180.0 -98.9 73.5 104.0 428 -4.3 0 0.0 0 0.0 0 0.0 8 51
432 A 432 PRO P - 0 0 -31.0 160.1 179.0 -99.0 36.5 65.8 0 0.0 0 0.0 0 0.0 0 0.0 9 45
433 A 433 ASP D h > T - 0 0 -87.5 159.2 -165.4 -112.0 35.6 115.2 0 0.0 437 -1.7 0 0.0 0 0.0 6 35
434 A 434 TYR Y H H > TS+ 0 0 -65.2 -42.5 178.8 54.0 119.2 24.6 0 0.0 438 -2.8 0 0.0 0 0.0 7 41
435 A 435 ASN N H H > TS+ 0 0 -57.4 -29.8 -178.1 50.8 107.7 38.6 0 0.0 439 -1.9 0 0.0 0 0.0 6 27
436 A 436 ARG R H H 4 TS+ 0 0 -76.3 -42.8 176.9 48.4 109.6 19.9 0 0.0 0 0.0 0 0.0 0 0.0 8 36
437 A 437 ILE I H H < > TS+ 0 0 -55.3 -45.5 -174.1 52.1 112.9 12.6 433 -1.7 440 -2.2 0 0.0 0 0.0 11 53
438 A 438 ARG R H H < > TS+ 0 0 -64.0 -50.2 -179.3 47.1 106.8 27.3 434 -2.8 441 -2.9 0 0.0 0 0.0 12 42
439 A 439 SER S G h < > TS+ 0 0 -70.2 -4.7 179.2 74.5 98.8 50.0 435 -1.9 442 -1.0 0 0.0 0 0.0 9 34
440 A 440 GLY G G G < TS+ 0 0 -80.2 -14.0 173.8 69.8 83.4 48.6 437 -2.2 0 0.0 0 0.0 0 0.0 10 47
441 A 441 MET M G G < TS+ 0 0 -83.9 3.0 177.4 46.8 99.4 74.9 438 -2.9 417 -2.0 0 0.0 0 0.0 13 47
442 A 442 PHE F S g < TS- 0 0 -136.3 175.7 -175.1 -119.3 80.3 132.7 439 -1.0 0 0.0 0 0.0 0 0.0 9 36
443 A 443 TRP W + 0 0 -132.8 79.8 174.6 124.0 57.7 117.4 0 0.0 0 0.0 0 0.0 0 0.0 8 28
444 A 444 LEU L S S S- 0 0 -90.5 -31.8 -176.5 -42.1 89.8 33.5 0 0.0 0 0.0 0 0.0 0 0.0 4 18
445 A 445 ARG R 0 0 -178.6 174.5 175.8 999.9 999.9 158.8 0 0.0 0 0.0 0 0.0 0 0.0 3 19
446 A 446 PHE F 0 0 118.3 999.9 999.9 999.9 999.9 155.5 0 0.0 0 0.0 0 0.0 0 0.0 4 23
1be3A.pdb
1BE3 ELECTRON TRANSPORT MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand HHHHHHTS EE TT EE EE SEEEEEE STT SGGGGHHHHHHHHTTS BTTBTTTHHHHHHHHHT EEEEEE SS EEEEEE Kabs/Sand
chirality --+++++++-----+---+-+--++--+-+-+--------++-+++--+++++++++++++++---++---+++++++++-+----+-+-++---+--+ chirality
bends SSSSSSSS SS S SSS SSSSSSSSSSSSSSSS SSS SSSSSSSSSSS SS bends
turns TTTTTTTTT TTTT TTTT TTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >33X3><3< >33< >33< >>><3XX333<>>333< 3-turns
bridge-2 bb EEEE FFFFFF bridge-2
bridge-1 AA AA cc DDDDDD A A FFFFFF DDDD bridge-1
sheets AA AA AA AAAAAA AAAAAA AAAAAA sheets
4-turns >>>><<<< >4>>X>XX<<<< >>>>XXX<<<< 4-turns
summary hHHHHHHht EEeTTteEEe EEe eEEEEEEe tTTt gGGGhHHHHHHHHhTt BTTBTThHHHHHHHHHhtEEEEEEeSSeEEEEEE summary
sequence TATYAQALQSVPETQVSQLDNGLRVASEQSSQPTCTVGVWIDAGSRYESEKNNGAGYFVEHLAFKGTKNRPGNALEKEVESMGAHLNAYSTREHTAYYIK sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand EEGGGHHHHHHHHHHHHH HHHHHHHHHHHHHHHHHHTT HHHHHHHHHHHHHTTTSGGGS TT HHHHHH HHHHHHHHHHHH TTS EEEEE Kabs/Sand
chirality --+++++++++++++++++-+--++++++++++++++++++++-+++++++++++++-++-+++--+---++++++--++++++++++++-+++--++-+ chirality
bends SS SSSSSSSSSSSSS SSSSSSSSSSSSSSSSSSSS SSSSSSSSSSSSSSSSSSSSS SS SSSSSS SSSSSSSSSSSS SSS bends
turns TTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >>3<< >33< >>3<< >>3<< >33< >3><3X>3<<>33< >>><<< >33< >33< >33< 3-turns
bridge-2 EEEE bridge-2
bridge-1 DD bb c bridge-1
sheets AA AAAAA sheets
4-turns >>>>XXXXXXX<<<< >>>>XXXXXXXXXXXX<<<< >>>>XXXXXXX<<<< >>>><<<<>>>>XXXXXX<<<< 4-turns
summary EEeThHHHHHHHHHHHHHh hHHHHHHHHHHHHHHHHHHhThHHHHHHHHHHHHHhTTgGGGgtTTthHHHHHHhhHHHHHHHHHHHHhTTteEEEEE summary
sequence ALSKDLPKAVELLADIVQNCSLEDSQIEKERDVILQELQENDTSMRDVVFNYLHATAFQGTPLAQSVEGPSENVRKLSRADLTEYLSRHYKAPRMVLAAA sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand ES HHHHHHHS SSTTS S SS EEEE TTSSSEEEEEE SS THHHHHHHHHHHH EEETT TTGGG SSHHHHHHHH Kabs/Sand
chirality ++--+++++++--++---+--+-++++--++------+-----+-++-+--+-++------++-+++++++++++++----++-+++++-+-++++++++ chirality
bends SS SSSSSSSS SSSSS S SS SSSSS SS SSSSSSSSSSSSS SS S SSS SSSSSSSSSS bends
turns TTTTTTTTT TTTT TTTT TTTTTTTTTTTTTTT TTTTTTTTTT TTTTTTTTT turns
5-turns 5-turns
3-turns >33< >33< >>3<< >33X33< >33X3>X3<< >33< >3 3-turns
bridge-2 IIIII bridge-2
bridge-1 c gggg HHHH JJJ bridge-1
sheets A BBBB BBBBBB BBB sheets
4-turns >>>>X<<<< >>4>XX>XXX<<<< >444< >>>>XX<<< 4-turns
summary ES hHHHHHHHh StTTt S SS eEEEE tTTtSSEEEEEE SSthHHHHHHHHHHHHhEEEeTtTgGGGgShHHHHHHHH summary
sequence GGLEHRQLLDLAQKHFSGLSGTYDEDAVPTLSPCRFTGSQICHREDGLPLAHVAIAVEGPGWAHPDNVALQVANAIIGHYDCTYGGGAHLSSPLASIAAT sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand T SEEEEEEEE SS EEEEEEEEE TTTHHHHHHHHHHHHHHHHHH HHHHHHHHHHHHHHHHHTT SHHHHHHHHHHHHHSSTT THHHHHHHHH Kabs/Sand
chirality -++---+-----+-++--++----+--+++++++++++++++++++++--++++++++++++++++++++-++++++++++++++--+-+++++++++++ chirality
bends S S SS SSSSSSSSSSSSSSSSSSSS SSSSSSSSSSSSSSSSSSS SSSSSSSSSSSSSSSS S SSSSSSSSS bends
turns TT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns 3< >33X33<>33<>33X33X33< >33< >>3<< >33<>>3<< >33<>33<>33<>>3 3-turns
bridge-2 KKKKKKKK KKKKKKKK bridge-2
bridge-1 JJJ HHHH bridge-1
sheets BBBBBBBB BBBBBBBBB sheets
4-turns < >44>X>>XXXXXXXXX>>>XXXXXXXXXXX<<<< >>>>XXXXXXX<<<< >>>>XXX<<< 4-turns
summary ht eEEEEEEEEeSSeEEEEEEEEEtTThHHHHHHHHHHHHHHHHHHhhHHHHHHHHHHHHHHHHHhTthHHHHHHHHHHHHHhtTTtthHHHHHHHHH summary
sequence NKLCQSFQTFNICYADTGLLGAHFVCDHMSIDDMMFVLQGQWMRLCTSATESEVLRGKNLLRNALVSHLDGTTPVCEDIGRSLLTYGRRIPLAEWESRIA sequence
310 320 330 340 350 360 370 380 390 400
author author
Kabs/Sand T HHHHHHHHHHHSTT EEEEESS TTS HHHHHGGGS S Kabs/Sand
chirality ++-++++++++++++-+----++--+++++---++++++++-+- chirality
bends S SSSSSSSSSSSSSS SS SSS SSSSSSSSS S bends
turns TTTTTTTTTTTTTTTTTT TTTT TTTTTTTTTT turns
5-turns 5-turns
3-turns <<>33< >33< >33< >33< >>><<< 3-turns
bridge-2 IIIII bridge-2
bridge-1 gggg bridge-1
sheets BBBBB sheets
4-turns < >>>>XX>>4<<< 4-turns
summary hthHHHHHHHHHHHhTTt EEEEEeStTTt hHHHHHhGGg S summary
sequence EVDARVVREVCSKYFYDQCPAVAGFGPIEQLPDYNRIRSGMFWLRF sequence
410 420 430 440