Secondary structure calculation program - copyright by David Keith Smith, 1989
2hgsA.pdb
2HGS AMINE/CARBOXYLATE LIGASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 472
A A K K hydrogen bonding Ooi's
strk chain/ l amino u & S structure bridge dihedral angles donor acceptor donor acceptor N N
num seq.no t acids t S + patterns partners phi psi omega alpha kappa tco to/energy fr/energy to/energy fr/energy 8 14
1 A 3 THR T 0 0 999.9 -83.9 -176.5 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 4 36
2 A 4 ASN N + 0 0 -42.5 112.3 -178.0 179.9 999.9 94.4 0 0.0 0 0.0 0 0.0 0 0.0 5 35
3 A 5 TRP W S g > > TS+ 0 0 -86.2 -32.1 -179.8 77.7 70.4 34.8 0 0.0 6 -2.1 0 0.0 7 -0.9 9 45
4 A 6 GLY G G G 4 > TS+ 0 0 -44.3 -39.6 -179.1 59.5 89.3 36.4 0 0.0 7 -0.9 0 0.0 0 0.0 9 32
5 A 7 SER S G G 4 > TS+ 0 0 -63.1 -31.1 179.8 47.2 105.1 37.7 0 0.0 8 -0.5 0 0.0 0 0.0 6 28
6 A 8 LEU L G G 4 < TS+ 0 0 -86.7 -8.7 -178.0 64.6 104.0 54.8 3 -2.1 0 0.0 0 0.0 0 0.0 8 40
7 A 9 LEU L G G < < TS+ 0 0 -94.4 -0.7 180.0 75.0 81.8 66.1 3 -0.9 0 0.0 4 -0.9 0 0.0 11 38
8 A 10 GLN Q S g < TS+ 0 0 -86.3 -19.6 -179.8 78.2 78.1 46.0 5 -0.5 10 -0.8 0 0.0 0 0.0 7 25
9 A 11 ASP D h > T - 0 0 -99.2 106.8 -175.7 -163.7 63.5 141.0 0 0.0 13 -1.6 0 0.0 0 0.0 7 23
10 A 12 LYS K H H > TS+ 0 0 -55.8 -41.4 179.4 49.5 82.4 43.0 8 -0.8 14 -1.9 0 0.0 0 0.0 7 23
11 A 13 GLN Q H H > TS+ 0 0 -70.9 -41.9 178.9 47.9 114.7 21.8 0 0.0 15 -1.5 0 0.0 0 0.0 6 19
12 A 14 GLN Q H H > TS+ 0 0 -64.6 -31.8 -179.3 53.6 110.0 35.5 0 0.0 16 -2.5 0 0.0 0 0.0 7 29
13 A 15 LEU L H H X TS+ 0 0 -65.5 -51.8 177.4 50.6 106.3 15.4 9 -1.6 17 -2.8 0 0.0 0 0.0 11 35
14 A 16 GLU E H H X TS+ 0 0 -52.3 -38.9 -178.2 47.5 114.4 31.5 10 -1.9 18 -1.5 0 0.0 0 0.0 9 33
15 A 17 GLU E H H X TS+ 0 0 -77.9 -40.5 178.4 45.9 111.5 31.3 11 -1.5 19 -2.0 0 0.0 0 0.0 8 31
16 A 18 LEU L H H X TS+ 0 0 -69.5 -29.8 -179.0 52.4 113.2 38.1 12 -2.5 20 -2.1 0 0.0 0 0.0 11 45
17 A 19 ALA A H H X TS+ 0 0 -69.8 -39.9 178.7 50.1 108.2 28.9 13 -2.8 21 -2.8 0 0.0 0 0.0 11 49
18 A 20 ARG R H H X TS+ 0 0 -61.5 -42.5 178.5 49.1 112.2 21.2 14 -1.5 22 -2.0 0 0.0 0 0.0 8 42
19 A 21 GLN Q H H X TS+ 0 0 -60.3 -48.6 -177.8 46.7 112.4 24.0 15 -2.0 23 -2.1 0 0.0 0 0.0 10 38
20 A 22 ALA A H H X TS+ 0 0 -61.6 -49.2 -177.3 51.1 110.9 19.4 16 -2.1 24 -3.2 0 0.0 0 0.0 13 54
21 A 23 VAL V H H X TS+ 0 0 -59.8 -45.4 -176.8 47.2 111.0 24.6 17 -2.8 25 -2.3 0 0.0 0 0.0 10 51
22 A 24 ASP D H H X TS+ 0 0 -65.9 -39.6 179.3 45.9 114.9 23.5 18 -2.0 26 -2.3 0 0.0 0 0.0 8 38
23 A 25 ARG R H H X TS+ 0 0 -68.2 -37.2 179.1 55.1 110.7 28.9 19 -2.1 27 -1.8 0 0.0 0 0.0 10 38
24 A 26 ALA A H H < >TS+ 0 0 -62.4 -45.3 179.5 44.7 110.1 25.6 20 -3.2 29 -2.3 0 0.0 0 0.0 14 49
25 A 27 LEU L H H < >5TS+ 0 0 -65.2 -41.0 -179.8 52.5 112.4 19.0 21 -2.3 28 -2.0 0 0.0 0 0.0 11 44
26 A 28 ALA A H H < 35TS+ 0 0 -62.8 -30.4 -178.0 52.3 107.8 32.4 22 -2.3 0 0.0 0 0.0 0 0.0 7 29
27 A 29 GLU E T h < 35TS- 0 0 -85.6 4.5 -179.5 -106.6 120.7 65.7 23 -1.8 0 0.0 0 0.0 0 0.0 10 38
28 A 30 GLY G T T <5T + 0 0 85.1 17.5 178.1 148.6 66.8 46.1 25 -2.0 30 -2.0 0 0.0 0 0.0 9 45
29 A 31 VAL V e T + 0 0 -139.5 63.7 -179.3 162.8 66.2 117.3 0 0.0 39 -2.4 0 0.0 0 0.0 8 21
37 A 39 PRO P T T 3 TS+ 0 0 -61.3 -6.8 177.1 53.1 78.6 58.1 0 0.0 212 -2.4 0 0.0 0 0.0 11 29
38 A 40 THR T T T 3 TS+ 0 0 -107.9 1.6 -179.1 78.9 98.6 67.8 0 0.0 0 0.0 0 0.0 0 0.0 9 27
39 A 41 SER S t < T - 0 0 -119.2 137.2 175.1 -176.7 44.6 156.6 36 -2.4 0 0.0 0 0.0 0 0.0 7 22
40 A 42 SER S + 0 0 -100.9 16.0 -179.7 98.9 69.5 84.2 0 0.0 0 0.0 0 0.0 0 0.0 6 29
41 A 43 GLU E S S S+ 0 0 -73.6 -22.5 -179.6 19.7 97.5 36.5 0 0.0 0 0.0 0 0.0 0 0.0 4 19
42 A 44 VAL V S e S+ 0 0 -144.1 137.8 -178.3 162.4 77.6 174.4 0 0.0 33 -0.8 0 0.0 0 0.0 7 27
43 A 45 VAL V E E AA - 32 0 -147.6 173.5 175.5 -154.4 16.2 154.6 0 0.0 0 0.0 0 0.0 0 0.0 9 35
44 A 46 SER S E E AA - 31 0 -142.4 -179.1 -179.9 -75.1 36.1 142.3 31 -2.6 31 -2.3 0 0.0 0 0.0 10 45
45 A 47 TYR Y E E AA - 30 0 -79.6 148.5 175.9 -115.8 46.2 122.0 0 0.0 0 0.0 0 0.0 0 0.0 12 56
46 A 48 ALA A e - 0 0 -79.9 150.6 -178.2 -87.5 49.8 123.8 29 -1.3 0 0.0 0 0.0 0 0.0 11 68
47 A 49 PRO P + 0 0 -61.8 146.4 -178.1 162.5 62.4 107.9 0 0.0 466 -2.6 0 0.0 0 0.0 12 69
48 A 50 PHE F E E BBa - 409 466 -159.8 163.7 178.3 -96.3 38.7 170.5 409 -2.2 409 -2.8 0 0.0 0 0.0 10 74
49 A 51 THR T E E BB - 408 0 -87.0 154.8 178.1 -132.9 24.3 130.3 466 -2.1 0 0.0 0 0.0 0 0.0 13 76
50 A 52 LEU L S e S+ 0 0 -68.4 -38.3 -179.8 26.1 93.6 26.7 407 -2.7 0 0.0 0 0.0 0 0.0 13 78
51 A 53 PHE F S S S- 0 0 -125.0 159.9 179.9 -100.3 93.0 149.5 0 0.0 0 0.0 0 0.0 0 0.0 11 76
52 A 54 PRO P - 0 0 -79.0 126.3 -179.0 -118.5 43.9 130.1 0 0.0 0 0.0 0 0.0 0 0.0 11 74
53 A 55 SER S e - 0 0 -67.9 137.3 178.7 -107.5 28.2 111.0 0 0.0 470 -3.4 0 0.0 0 0.0 10 67
54 A 56 LEU L E E Cc - 470 0 -63.1 135.5 179.7 -176.5 39.9 115.4 0 0.0 0 0.0 0 0.0 0 0.0 9 53
55 A 57 VAL V E E Cc - 471 0 -137.9 130.9 177.5 -109.1 33.7 174.4 470 -3.8 472 -2.5 0 0.0 0 0.0 10 55
56 A 58 PRO P E E >Cc > T - 472 0 -55.8 119.7 -178.7 -140.9 26.0 112.1 0 0.0 60 -1.7 0 0.0 59 -0.7 8 44
57 A 59 SER S H H > 3 TS+ 0 0 -55.5 -37.3 179.2 59.0 98.4 28.9 472 -3.0 61 -2.5 0 0.0 0 0.0 8 34
58 A 60 ALA A H H > 3 TS+ 0 0 -61.2 -37.3 179.4 46.9 106.2 29.1 0 0.0 62 -2.2 0 0.0 0 0.0 6 29
59 A 61 LEU L H H > < TS+ 0 0 -72.4 -34.6 178.6 50.8 111.1 30.5 56 -0.7 63 -2.5 0 0.0 0 0.0 10 47
60 A 62 LEU L H H X TS+ 0 0 -66.9 -38.8 179.1 48.5 111.9 21.9 56 -1.7 64 -1.8 0 0.0 0 0.0 10 53
61 A 63 GLU E H H X TS+ 0 0 -65.4 -42.1 -179.2 50.7 111.3 21.3 57 -2.5 65 -2.7 0 0.0 0 0.0 8 43
62 A 64 GLN Q H H X TS+ 0 0 -62.3 -41.9 178.6 51.7 107.7 28.3 58 -2.2 66 -1.2 0 0.0 0 0.0 9 47
63 A 65 ALA A H H < TS+ 0 0 -64.0 -39.2 178.5 46.9 112.6 28.6 59 -2.5 0 0.0 0 0.0 0 0.0 11 56
64 A 66 TYR Y H H < > TS+ 0 0 -69.6 -44.6 179.7 56.2 107.5 26.1 60 -1.8 67 -1.2 0 0.0 0 0.0 9 53
65 A 67 ALA A H H < 3 TS+ 0 0 -64.7 -15.7 176.8 47.4 109.2 43.0 61 -2.7 0 0.0 0 0.0 0 0.0 7 44
66 A 68 VAL V T h X 3 TS+ 0 0 -102.2 -3.4 -177.1 86.0 86.7 54.4 62 -1.2 70 -2.4 0 0.0 0 0.0 11 55
67 A 69 GLN Q H H > < TS+ 0 0 -63.2 -46.0 -179.7 51.7 88.0 22.8 64 -1.2 71 -2.8 0 0.0 0 0.0 14 60
68 A 70 MET M H H > TS+ 0 0 -58.3 -35.3 178.4 51.2 110.8 24.8 0 0.0 72 -2.0 0 0.0 0 0.0 11 53
69 A 71 ASP D H H > TS+ 0 0 -66.1 -43.4 178.8 47.9 110.1 21.8 0 0.0 73 -2.8 0 0.0 0 0.0 11 55
70 A 72 PHE F H H X TS+ 0 0 -65.9 -37.1 178.1 54.2 108.3 28.8 66 -2.4 74 -3.1 0 0.0 0 0.0 10 68
71 A 73 ASN N H H X TS+ 0 0 -62.1 -42.2 -179.6 47.0 111.2 19.3 67 -2.8 75 -2.2 0 0.0 0 0.0 14 68
72 A 74 LEU L H H X TS+ 0 0 -61.5 -42.4 -178.8 49.3 113.4 16.7 68 -2.0 76 -2.8 0 0.0 0 0.0 10 61
73 A 75 LEU L H H X TS+ 0 0 -61.8 -49.7 -178.5 47.3 110.5 16.6 69 -2.8 77 -2.8 0 0.0 0 0.0 10 71
74 A 76 VAL V H H X TS+ 0 0 -60.9 -38.3 -178.3 50.7 112.9 24.4 70 -3.1 78 -2.2 0 0.0 0 0.0 11 70
75 A 77 ASP D H H X TS+ 0 0 -69.5 -33.7 177.1 50.1 109.2 25.6 71 -2.2 79 -1.2 0 0.0 0 0.0 10 63
76 A 78 ALA A H H X TS+ 0 0 -68.5 -40.9 179.0 51.4 110.6 20.0 72 -2.8 80 -2.0 0 0.0 0 0.0 10 55
77 A 79 VAL V H H < TS+ 0 0 -59.2 -45.8 -176.9 52.0 106.5 20.8 73 -2.8 0 0.0 0 0.0 0 0.0 13 54
78 A 80 SER S H H < TS+ 0 0 -63.7 -28.6 179.3 46.0 113.2 36.6 74 -2.2 0 0.0 0 0.0 0 0.0 12 65
79 A 81 GLN Q H H < TS+ 0 0 -86.0 -23.1 -178.0 80.8 94.0 41.1 75 -1.2 81 -1.2 0 0.0 0 0.0 7 50
80 A 82 ASN N h X T - 0 0 -82.5 99.0 -177.5 -178.2 57.1 128.1 76 -2.0 84 -1.6 0 0.0 0 0.0 8 40
81 A 83 ALA A H H > TS+ 0 0 -68.8 -35.1 -175.6 54.5 75.8 26.4 79 -1.2 85 -2.6 0 0.0 0 0.0 8 38
82 A 84 ALA A H H > TS+ 0 0 -66.3 -39.4 177.0 54.0 105.6 26.0 0 0.0 86 -2.6 0 0.0 0 0.0 6 29
83 A 85 PHE F H H > TS+ 0 0 -57.1 -47.7 -178.7 45.8 110.9 18.9 0 0.0 87 -3.1 0 0.0 0 0.0 8 44
84 A 86 LEU L H H X TS+ 0 0 -65.7 -41.2 179.9 47.1 113.7 25.7 80 -1.6 88 -2.4 0 0.0 0 0.0 14 51
85 A 87 GLU E H H X TS+ 0 0 -66.5 -48.3 -177.9 43.4 116.6 11.1 81 -2.6 89 -1.4 0 0.0 0 0.0 8 43
86 A 88 GLN Q H H X > TS+ 0 0 -59.1 -51.3 177.8 49.1 116.2 12.2 82 -2.6 89 -0.9 0 0.0 90 -0.5 8 39
87 A 89 THR T H H < 3 TS+ 0 0 -50.6 -48.2 -176.3 32.6 122.3 24.2 83 -3.1 0 0.0 0 0.0 0 0.0 10 55
88 A 90 LEU L H H X 3 TS+ 0 0 -93.8 0.4 -179.1 104.9 87.5 63.1 84 -2.4 92 -2.6 0 0.0 0 0.0 10 57
89 A 91 SER S H H < < TS+ 0 0 -49.8 -47.6 -179.7 35.1 90.3 21.3 85 -1.4 0 0.0 86 -0.9 0 0.0 9 43
90 A 92 SER S T h X > TS+ 0 0 -77.1 -31.4 -178.0 56.4 114.3 27.2 86 -0.5 93 -0.9 0 0.0 94 -0.7 11 43
91 A 93 THR T H H > > TS+ 0 0 -63.0 -47.0 -178.3 57.5 101.8 22.4 0 0.0 95 -2.8 0 0.0 94 -1.4 13 50
92 A 94 ILE I H H < 3 TS+ 0 0 -61.8 -12.9 178.0 56.0 100.5 50.0 88 -2.6 0 0.0 0 0.0 0 0.0 12 43
93 A 95 LYS K H H 4 < TS+ 0 0 -89.2 -20.6 -179.5 31.3 120.4 43.7 90 -0.9 0 0.0 0 0.0 0 0.0 8 32
94 A 96 GLN Q H H < < TS+ 0 0 -107.3 -18.4 -175.7 61.2 112.4 48.5 91 -1.4 96 -0.7 90 -0.7 0 0.0 10 34
95 A 97 ASP D h X T - 0 0 -118.6 110.2 -177.7 -165.6 56.1 152.7 91 -2.8 99 -2.3 0 0.0 0 0.0 11 42
96 A 98 ASP D H H > TS+ 0 0 -54.9 -47.0 179.1 51.4 89.7 19.7 94 -0.7 100 -3.0 0 0.0 0 0.0 8 36
97 A 99 PHE F H H > TS+ 0 0 -58.6 -47.3 178.8 45.1 111.8 17.6 0 0.0 101 -2.4 0 0.0 0 0.0 8 48
98 A 100 THR T H H > TS+ 0 0 -66.1 -26.7 178.1 56.7 111.5 27.3 0 0.0 102 -2.9 0 0.0 0 0.0 11 53
99 A 101 ALA A H H X TS+ 0 0 -65.0 -48.0 176.9 45.5 108.4 16.3 95 -2.3 103 -3.5 0 0.0 0 0.0 11 46
100 A 102 ARG R H H X TS+ 0 0 -62.7 -46.5 178.1 47.8 113.8 19.4 96 -3.0 104 -1.8 0 0.0 0 0.0 8 48
101 A 103 LEU L H H X > TS+ 0 0 -57.0 -53.6 -179.2 45.3 116.1 14.6 97 -2.4 105 -1.9 0 0.0 104 -0.7 10 64
102 A 104 PHE F H H X 3 TS+ 0 0 -56.1 -40.5 -179.9 57.4 108.2 25.0 98 -2.9 106 -2.3 0 0.0 0 0.0 12 58
103 A 105 ASP D H H X 3 TS+ 0 0 -63.2 -27.4 179.9 49.3 106.1 35.5 99 -3.5 107 -2.5 0 0.0 0 0.0 8 43
104 A 106 ILE I H H X < TS+ 0 0 -75.9 -38.1 178.6 53.1 108.6 28.7 100 -1.8 108 -2.5 101 -0.7 0 0.0 11 49
105 A 107 HIS H H H X TS+ 0 0 -59.1 -40.3 179.8 47.7 111.7 22.6 101 -1.9 109 -1.7 0 0.0 0 0.0 10 53
106 A 108 LYS K H H X TS+ 0 0 -68.5 -51.7 179.8 48.9 109.9 17.8 102 -2.3 110 -2.5 0 0.0 0 0.0 8 41
107 A 109 GLN Q H H X TS+ 0 0 -55.4 -39.8 -179.4 48.9 113.7 24.8 103 -2.5 111 -2.7 0 0.0 0 0.0 8 30
108 A 110 VAL V H H X TS+ 0 0 -66.3 -36.9 -178.4 50.5 109.7 31.3 104 -2.5 112 -1.4 0 0.0 0 0.0 11 41
109 A 111 LEU L H H < TS+ 0 0 -65.5 -40.1 -179.6 50.6 111.8 21.8 105 -1.7 0 0.0 0 0.0 0 0.0 8 35
110 A 112 LYS K H H < TS+ 0 0 -62.0 -52.2 178.5 41.9 112.7 26.1 106 -2.5 0 0.0 0 0.0 0 0.0 6 22
111 A 113 GLU E H H < TS- 0 0 -72.2 -19.1 -176.2 -108.9 121.2 42.3 107 -2.7 0 0.0 0 0.0 0 0.0 6 23
112 A 114 GLY G h < T - 0 0 97.9 141.9 -179.1 -77.3 39.9 82.8 108 -1.4 0 0.0 0 0.0 0 0.0 6 30
113 A 115 ILE I - 0 0 -74.7 123.3 -179.3 -165.1 38.2 126.0 0 0.0 0 0.0 0 0.0 0 0.0 9 41
114 A 116 ALA A + 0 0 -75.4 -40.3 -179.0 85.6 64.2 23.6 0 0.0 0 0.0 0 0.0 0 0.0 9 42
115 A 117 GLN Q - 0 0 -59.7 144.9 176.6 -177.2 49.2 105.8 287 -0.7 0 0.0 0 0.0 0 0.0 11 57
116 A 118 THR T e + 0 0 -123.8 -1.0 -177.8 69.7 67.8 74.4 288 -0.6 434 -2.6 0 0.0 0 0.0 11 46
117 A 119 VAL V E E BD - 433 0 -122.3 135.0 -174.6 -173.6 63.8 164.1 0 0.0 0 0.0 0 0.0 0 0.0 13 58
118 A 120 PHE F E E BD + 432 0 -131.7 147.0 177.8 169.8 6.5 168.4 432 -3.5 432 -2.6 0 0.0 0 0.0 14 64
119 A 121 LEU L E E BD - 431 0 -153.6 155.4 175.1 -156.8 17.7 174.6 291 -0.9 0 0.0 0 0.0 0 0.0 16 73
120 A 122 GLY G E E BD - 430 0 -132.6 133.9 173.3 -174.3 4.6 174.6 430 -2.4 430 -1.8 0 0.0 122 -0.5 14 77
121 A 123 LEU L E E BD + 429 0 -114.4 114.2 -176.6 155.4 35.2 172.8 0 0.0 0 0.0 0 0.0 0 0.0 16 79
122 A 124 ASN N E E BD - 428 0 -137.0 178.2 175.3 -139.9 39.4 147.3 428 -2.4 428 -2.8 120 -0.5 0 0.0 13 78
123 A 125 ARG R E E BDE - 427 144 -141.4 124.8 176.8 -155.8 10.6 165.1 144 -1.9 144 -3.1 0 0.0 125 -0.5 12 73
124 A 126 SER S E E BDE - 426 143 -102.1 119.0 -175.6 -153.8 17.9 153.8 426 -2.3 426 -1.7 0 0.0 0 0.0 15 75
125 A 127 ASP D E E BDE + 425 142 -101.2 132.4 -177.8 178.8 14.9 143.6 142 -2.1 141 -3.7 123 -0.5 142 -1.1 13 76
126 A 128 TYR Y E E BDE - 424 140 -132.7 158.4 172.0 -156.0 14.8 161.1 424 -2.9 424 -2.4 0 0.0 0 0.0 13 65
127 A 129 MET M E E B E - 0 139 -121.9 167.8 -177.7 -110.9 28.7 140.3 139 -2.4 139 -2.6 0 0.0 129 -0.7 13 64
128 A 130 PHE F E E B E - 0 138 -110.0 107.0 -175.2 -157.8 31.3 148.0 0 0.0 0 0.0 0 0.0 0 0.0 13 54
129 A 131 GLN Q E E B E - 0 137 -88.2 132.6 177.8 -122.2 20.4 128.8 137 -2.5 137 -2.2 127 -0.7 0 0.0 12 43
130 A 132 ARG R E E B E - 0 136 -67.3 124.0 -178.2 -162.7 43.7 126.8 0 0.0 0 0.0 0 0.0 0 0.0 11 31
131 A 133 SER S e - 0 0 -106.8 -177.5 178.5 -80.1 32.0 119.9 135 -1.4 0 0.0 0 0.0 0 0.0 8 25
132 A 134 ALA A S S S+ 0 0 -40.2 -70.6 178.8 36.6 129.8 22.0 0 0.0 0 0.0 0 0.0 0 0.0 5 15
133 A 135 ASP D S S S- 0 0 -50.3 -52.8 -178.0 -104.7 121.1 18.8 0 0.0 0 0.0 0 0.0 0 0.0 4 10
134 A 136 GLY G S S S+ 0 0 142.0 -17.3 177.8 135.1 80.3 90.4 0 0.0 0 0.0 0 0.0 0 0.0 6 16
135 A 137 SER S e - 0 0 -56.9 133.3 178.0 -120.6 61.7 108.2 0 0.0 131 -1.4 0 0.0 0 0.0 7 24
136 A 138 PRO P E E BE - 130 0 -76.1 142.9 -178.9 -151.2 29.8 125.4 0 0.0 0 0.0 0 0.0 0 0.0 9 40
137 A 139 ALA A E E BE - 129 0 -120.3 143.2 179.1 -111.3 17.9 164.3 129 -2.2 129 -2.5 0 0.0 139 -0.5 9 44
138 A 140 LEU L E E BE + 128 0 -74.8 120.0 178.9 179.8 40.3 126.8 0 0.0 0 0.0 0 0.0 0 0.0 13 54
139 A 141 LYS K E E BE - 127 0 -127.4 132.9 -178.7 -121.3 26.5 166.0 127 -2.6 127 -2.4 137 -0.5 0 0.0 13 56
140 A 142 GLN Q E E BE - 126 0 -70.9 132.6 178.3 -176.7 21.2 120.1 332 -3.6 0 0.0 0 0.0 0 0.0 12 62
141 A 143 ILE I E E B* - 0 0 -93.0 -41.6 -179.5 -44.4 65.6 35.8 125 -3.7 0 0.0 0 0.0 0 0.0 8 71
142 A 144 GLU E E E BE - 125 0 -172.6 172.0 175.8 -115.7 48.4 162.7 125 -1.1 125 -2.1 0 0.0 0 0.0 9 74
143 A 145 ILE I E E BE - 124 0 -124.4 133.5 -175.8 -147.5 23.6 170.7 0 0.0 145 -0.7 0 0.0 0 0.0 11 73
144 A 146 ASN N E E BE + 123 0 -109.8 113.7 -176.3 164.2 25.6 152.9 123 -3.1 123 -1.9 0 0.0 0 0.0 12 70
145 A 147 THR T + 0 0 -109.5 0.0 173.4 59.0 59.3 64.4 143 -0.7 0 0.0 0 0.0 0 0.0 14 67
146 A 148 ILE I S S S- 0 0 -126.4 133.6 177.5 -10.1 118.0 174.3 0 0.0 0 0.0 0 0.0 0 0.0 14 64
147 A 149 SER S S S S- 0 0 51.8 45.4 -176.4 -167.1 73.0 25.0 264 -0.6 149 -0.9 0 0.0 0 0.0 12 71
148 A 150 ALA A - 0 0 -68.3 102.2 -174.0 -168.1 22.5 124.2 0 0.0 0 0.0 0 0.0 0 0.0 12 77
149 A 151 SER S + 0 0 -104.2 175.8 176.6 47.1 43.7 114.8 147 -0.9 0 0.0 0 0.0 0 0.0 6 76
150 A 152 PHE F h > T + 0 0 82.6 11.1 179.5 118.7 67.2 61.3 0 0.0 154 -1.7 0 0.0 0 0.0 8 77
151 A 153 GLY G H H > TS+ 0 0 -76.3 -24.5 -179.3 51.2 75.5 41.8 0 0.0 183 -1.2 0 0.0 155 -0.5 16 67
152 A 154 GLY G H H > > TS+ 0 0 -78.6 -47.6 -179.8 43.2 112.5 14.0 0 0.0 155 -1.0 0 0.0 156 -0.5 16 63
153 A 155 LEU L H H > > TS+ 0 0 -63.0 -32.0 -178.5 62.4 107.4 34.6 0 0.0 156 -1.2 0 0.0 157 -0.8 13 65
154 A 156 ALA A H H < 3 TS+ 0 0 -69.2 -22.5 177.3 59.8 95.2 43.4 150 -1.7 0 0.0 0 0.0 0 0.0 14 66
155 A 157 SER S H H < < TS+ 0 0 -74.3 -19.1 -176.3 47.6 108.4 40.8 152 -1.0 0 0.0 151 -0.5 0 0.0 12 57
156 A 158 ARG R H H < < TS+ 0 0 -95.0 -16.0 -175.4 69.3 95.3 51.2 153 -1.2 0 0.0 152 -0.5 0 0.0 13 58
157 A 159 THR T S h X TS+ 0 0 -84.1 -21.0 -178.9 72.4 78.8 47.1 153 -0.8 161 -1.9 0 0.0 0 0.0 14 63
158 A 160 PRO P H H > TS+ 0 0 -58.0 -43.1 -179.8 55.5 95.3 24.4 0 0.0 162 -2.8 0 0.0 0 0.0 13 59
159 A 161 ALA A H H > TS+ 0 0 -57.1 -35.2 177.8 55.7 106.1 31.0 0 0.0 163 -2.0 0 0.0 0 0.0 8 47
160 A 162 VAL V H H > TS+ 0 0 -65.2 -48.9 177.6 43.0 109.0 22.0 0 0.0 164 -2.0 0 0.0 0 0.0 12 58
161 A 163 HIS H H H X TS+ 0 0 -67.6 -37.7 177.1 53.8 111.9 27.5 157 -1.9 165 -2.4 0 0.0 0 0.0 15 67
162 A 164 ARG R H H X TS+ 0 0 -56.0 -43.9 -179.3 52.4 108.7 18.4 158 -2.8 166 -2.6 0 0.0 0 0.0 12 48
163 A 165 HIS H H H X TS+ 0 0 -56.9 -53.8 -179.1 49.7 107.2 19.7 159 -2.0 167 -2.5 0 0.0 0 0.0 12 44
164 A 166 VAL V H H X TS+ 0 0 -56.4 -43.6 179.5 45.5 113.9 21.9 160 -2.0 168 -1.0 0 0.0 0 0.0 13 54
165 A 167 LEU L H H < >>TS+ 0 0 -67.5 -36.3 -179.0 55.0 110.1 23.4 161 -2.4 170 -2.5 0 0.0 168 -0.7 13 50
166 A 168 SER S H H < >5TS+ 0 0 -61.7 -38.7 179.3 60.3 99.7 23.5 162 -2.6 169 -2.4 0 0.0 0 0.0 10 31
167 A 169 VAL V H H < 35TS+ 0 0 -56.7 -36.1 -179.9 44.7 108.5 28.7 163 -2.5 0 0.0 0 0.0 0 0.0 8 31
168 A 170 LEU L T h < <5TS- 0 0 -91.1 8.7 178.3 -113.3 118.7 77.0 164 -1.0 0 0.0 165 -0.7 0 0.0 6 34
169 A 171 SER S T T <5TS+ 0 0 63.4 30.5 177.2 138.6 72.8 34.4 166 -2.4 171 -1.0 0 0.0 0 0.0 6 21
170 A 172 LYS K h > T + 0 0 -65.0 -24.6 179.2 58.4 67.4 44.4 169 -1.0 175 -1.6 0 0.0 0 0.0 8 24
172 A 174 LYS K H H 4 TS+ 0 0 -67.4 -61.8 176.0 38.6 111.6 10.9 0 0.0 0 0.0 0 0.0 0 0.0 6 23
173 A 175 GLU E H H > > TS+ 0 0 -56.9 -47.7 179.5 56.4 113.2 24.6 0 0.0 176 -2.5 0 0.0 177 -0.8 10 36
174 A 176 ALA A H H < > TS+ 0 0 -52.1 -42.4 -179.4 56.4 104.5 20.7 170 -2.6 177 -1.3 0 0.0 0 0.0 12 37
175 A 177 GLY G T h < 3 TS+ 0 0 -65.4 -12.7 -176.9 58.2 100.2 52.0 171 -1.6 0 0.0 0 0.0 0 0.0 7 30
176 A 178 LYS K T T 4 < TS+ 0 0 -96.9 -9.9 180.0 110.5 74.4 54.1 173 -2.5 0 0.0 0 0.0 0 0.0 8 34
177 A 179 ILE I S t < < TS- 0 0 -60.4 140.4 178.7 -120.0 73.8 112.1 174 -1.3 0 0.0 173 -0.8 0 0.0 14 45
178 A 180 LEU L - 0 0 -87.6 137.3 175.6 -130.0 15.6 134.9 0 0.0 0 0.0 0 0.0 0 0.0 8 45
179 A 181 SER S - 0 0 -77.1 148.8 -174.8 -172.2 32.3 120.2 0 0.0 0 0.0 0 0.0 0 0.0 6 39
180 A 182 ASN N + 0 0 -150.3 133.1 -178.4 176.0 22.3 167.4 0 0.0 0 0.0 0 0.0 0 0.0 9 47
181 A 183 ASN N h > > T + 0 0 -139.7 68.1 -178.1 153.9 16.1 118.1 0 0.0 185 -1.0 0 0.0 184 -0.6 13 48
182 A 184 PRO P H H > 3 T + 0 0 -66.7 -38.2 -177.5 62.7 69.4 30.6 0 0.0 186 -3.1 0 0.0 0 0.0 14 56
183 A 185 SER S H H > 3 TS+ 0 0 -60.1 -29.1 179.5 57.1 99.3 32.7 151 -1.2 187 -2.4 0 0.0 0 0.0 12 59
184 A 186 LYS K H H > < TS+ 0 0 -60.7 -50.2 -177.7 41.6 112.5 13.0 181 -0.6 188 -2.0 0 0.0 0 0.0 10 48
185 A 187 GLY G H H X TS+ 0 0 -64.7 -43.9 176.6 51.1 113.4 25.9 181 -1.0 189 -1.1 0 0.0 0 0.0 11 54
186 A 188 LEU L H H X > TS+ 0 0 -60.5 -42.9 -179.4 49.6 111.6 25.1 182 -3.1 190 -1.6 0 0.0 189 -0.5 15 72
187 A 189 ALA A H H X 3 TS+ 0 0 -62.4 -37.1 -178.7 59.1 103.6 32.9 183 -2.4 191 -2.7 0 0.0 0 0.0 12 66
188 A 190 LEU L H H X 3 TS+ 0 0 -63.2 -29.8 177.9 53.6 103.1 38.3 184 -2.0 192 -2.3 0 0.0 0 0.0 10 54
189 A 191 GLY G H H X < TS+ 0 0 -71.4 -51.9 177.4 43.7 110.4 21.8 185 -1.1 193 -2.5 186 -0.5 0 0.0 14 66
190 A 192 ILE I H H X TS+ 0 0 -59.3 -38.6 180.0 54.4 114.4 23.2 186 -1.6 194 -2.2 0 0.0 0 0.0 12 74
191 A 193 ALA A H H X TS+ 0 0 -58.3 -48.0 179.3 47.2 108.3 21.2 187 -2.7 195 -2.5 0 0.0 0 0.0 10 58
192 A 194 LYS K H H X TS+ 0 0 -59.1 -48.2 178.5 49.4 112.6 20.7 188 -2.3 196 -2.6 0 0.0 0 0.0 9 54
193 A 195 ALA A H H X TS+ 0 0 -60.1 -35.0 -179.5 48.6 111.7 35.5 189 -2.5 197 -1.8 0 0.0 0 0.0 15 58
194 A 196 TRP W H H X TS+ 0 0 -71.9 -40.2 -175.7 51.9 110.4 28.5 190 -2.2 198 -1.8 0 0.0 0 0.0 14 58
195 A 197 GLU E H H < TS+ 0 0 -58.2 -53.6 179.9 45.6 112.0 9.7 191 -2.5 0 0.0 0 0.0 0 0.0 9 43
196 A 198 LEU L H H < TS+ 0 0 -60.7 -38.8 177.9 61.8 102.6 32.4 192 -2.6 0 0.0 0 0.0 0 0.0 8 40
197 A 199 TYR Y H H < TS- 0 0 -55.0 -39.8 175.9 -151.4 100.6 22.4 193 -1.8 0 0.0 0 0.0 0 0.0 11 46
198 A 200 GLY G h < T + 0 0 84.8 17.5 178.2 126.5 48.6 56.3 194 -1.8 0 0.0 0 0.0 0 0.0 6 31
199 A 201 SER S t > T - 0 0 -109.0 104.2 -179.5 -154.0 45.7 153.1 0 0.0 202 -2.6 0 0.0 0 0.0 8 34
200 A 202 PRO P T T 3 TS+ 0 0 -44.5 -36.5 -179.7 38.5 93.9 39.7 0 0.0 0 0.0 0 0.0 0 0.0 5 27
201 A 203 ASN N T T 3 TS+ 0 0 -106.1 18.9 -179.8 115.9 87.4 80.6 0 0.0 0 0.0 0 0.0 0 0.0 5 33
202 A 204 ALA A t < T - 0 0 -86.8 148.3 -179.7 -134.9 57.3 130.6 199 -2.6 0 0.0 0 0.0 0 0.0 10 43
203 A 205 LEU L E E Df - 259 0 -98.9 167.5 175.1 -118.6 10.5 120.7 258 -2.2 260 -2.8 0 0.0 261 -1.0 13 51
204 A 206 VAL V E E Dfg - 261 232 -96.3 133.5 -179.1 -144.4 33.0 152.2 231 -2.7 233 -2.1 0 0.0 206 -0.6 15 69
205 A 207 LEU L E E Dfg - 262 233 -107.4 121.5 -179.7 -158.5 9.4 160.1 261 -3.7 263 -3.1 0 0.0 207 -0.6 13 68
206 A 208 LEU L E E Dfg - 263 234 -99.9 120.6 -178.1 -147.2 8.3 148.3 233 -3.0 235 -2.7 204 -0.6 208 -0.9 12 69
207 A 209 ILE I E E Dfg + 264 235 -93.5 113.4 179.6 147.2 36.5 143.0 263 -2.8 265 -2.7 205 -0.6 266 -0.6 13 64
208 A 210 ALA A e - 0 0 -142.2 147.2 177.4 -116.8 44.8 169.9 235 -1.7 0 0.0 206 -0.9 0 0.0 12 50
209 A 211 GLN Q - 0 0 -74.9 161.6 178.7 -117.1 29.9 113.3 0 0.0 0 0.0 0 0.0 0 0.0 9 44
210 A 212 GLU E S S S+ 0 0 -68.3 -45.9 175.8 63.7 108.2 23.0 0 0.0 212 -1.1 0 0.0 0 0.0 7 37
211 A 213 LYS K S S S+ 0 0 -78.5 103.6 -179.9 146.7 71.3 135.7 0 0.0 0 0.0 0 0.0 0 0.0 7 35
212 A 214 GLU E t > T - 0 0 -143.4 102.4 -178.2 -179.0 28.8 145.9 37 -2.4 215 -1.0 210 -1.1 0 0.0 10 46
213 A 215 ARG R T T 3 TS+ 0 0 -71.1 -27.8 -177.4 62.0 83.8 33.9 0 0.0 32 -2.5 0 0.0 0 0.0 10 43
214 A 216 ASN N T h > 3 T + 0 0 -90.4 35.4 -178.7 123.5 62.9 91.6 0 0.0 218 -1.2 0 0.0 0 0.0 10 56
215 A 217 ILE I H H > < T + 0 0 -61.5 -39.1 -178.7 59.0 68.5 27.1 212 -1.0 219 -3.2 0 0.0 0 0.0 9 55
216 A 218 PHE F H H > TS+ 0 0 -59.1 -38.7 179.2 53.4 101.6 28.3 0 0.0 220 -1.9 0 0.0 0 0.0 11 52
217 A 219 ASP D H H > TS+ 0 0 -64.8 -36.5 178.1 44.4 113.3 22.5 0 0.0 221 -0.6 0 0.0 0 0.0 13 59
218 A 220 GLN Q H H X > TS+ 0 0 -70.7 -44.9 178.4 57.6 108.4 20.2 214 -1.2 222 -2.1 0 0.0 221 -1.5 9 65
219 A 221 ARG R H H X 3 TS+ 0 0 -54.8 -32.3 178.9 65.6 96.0 30.7 215 -3.2 223 -2.9 0 0.0 0 0.0 9 53
220 A 222 ALA A H H X 3 TS+ 0 0 -59.0 -39.0 -179.6 44.0 103.7 26.0 216 -1.9 224 -1.7 0 0.0 0 0.0 11 52
221 A 223 ILE I H H X < TS+ 0 0 -70.2 -43.8 -178.9 53.4 112.2 26.7 218 -1.5 225 -2.5 217 -0.6 0 0.0 13 63
222 A 224 GLU E H H X TS+ 0 0 -55.5 -32.4 -178.6 53.7 106.7 28.3 218 -2.1 226 -3.0 0 0.0 0 0.0 11 49
223 A 225 ASN N H H X TS+ 0 0 -69.3 -44.9 176.4 48.5 107.8 25.6 219 -2.9 227 -2.1 0 0.0 0 0.0 8 40
224 A 226 GLU E H H < TS+ 0 0 -64.9 -38.3 179.0 46.4 115.0 21.3 220 -1.7 0 0.0 0 0.0 0 0.0 12 38
225 A 227 LEU L H H < >>TS+ 0 0 -64.3 -49.8 179.2 52.8 109.6 13.9 221 -2.5 228 -2.7 0 0.0 230 -1.9 14 43
226 A 228 LEU L H H < >5TS+ 0 0 -53.4 -33.5 179.2 61.9 101.3 31.9 222 -3.0 229 -1.8 0 0.0 0 0.0 10 35
227 A 229 ALA A T h < 35TS+ 0 0 -71.1 -11.9 -179.7 45.4 106.3 52.3 223 -2.1 0 0.0 0 0.0 0 0.0 7 25
228 A 230 ARG R T T <5TS- 0 0 -114.5 17.6 176.9 -106.0 124.6 86.5 225 -2.7 0 0.0 0 0.0 0 0.0 6 30
229 A 231 ASN N T T <5TS+ 0 0 61.4 36.4 176.6 133.8 77.7 34.5 226 -1.8 0 0.0 0 0.0 0 0.0 6 28
230 A 232 ILE I t T - 0 0 -91.9 164.7 175.7 -108.1 35.0 117.0 0 0.0 240 -1.3 0 0.0 0 0.0 10 47
237 A 239 PHE F H H > > TS+ 0 0 -58.4 -43.2 177.2 58.0 123.7 21.7 0 0.0 241 -1.9 0 0.0 240 -0.7 12 48
238 A 240 GLU E H H > 3 TS+ 0 0 -55.0 -40.4 179.5 52.5 103.1 26.0 0 0.0 242 -1.5 0 0.0 0 0.0 9 38
239 A 241 ASP D H H > 3 TS+ 0 0 -64.1 -33.2 -175.9 54.0 106.7 34.9 0 0.0 243 -2.1 0 0.0 0 0.0 9 43
240 A 242 ILE I H H X < TS+ 0 0 -68.4 -37.3 -179.4 50.2 106.3 31.6 236 -1.3 244 -3.6 237 -0.7 0 0.0 12 52
241 A 243 SER S H H < TS+ 0 0 -67.6 -35.8 -177.3 42.9 115.6 34.9 237 -1.9 0 0.0 0 0.0 0 0.0 11 35
242 A 244 GLU E H H < TS+ 0 0 -81.6 -33.4 -175.9 11.8 136.1 35.2 238 -1.5 0 0.0 0 0.0 0 0.0 6 27
243 A 245 LYS K H H < TS+ 0 0 -129.9 5.6 178.9 100.5 96.8 69.7 239 -2.1 255 -1.1 0 0.0 0 0.0 8 32
244 A 246 GLY G E E TS- 244 257 -125.2 123.1 -179.1 -17.8 80.3 172.1 257 -3.7 257 -3.1 0 0.0 0 0.0 11 44
255 A 257 ASP D T e 3 TS- 0 0 53.7 35.0 -178.9 -54.5 130.0 31.1 243 -1.1 0 0.0 0 0.0 0 0.0 6 30
256 A 258 GLY G T T 3 TS+ 0 0 78.1 -3.4 178.4 119.5 115.7 65.4 0 0.0 0 0.0 0 0.0 0 0.0 5 26
257 A 259 GLN Q E E DI < T - 254 0 -101.0 142.9 -178.7 -118.7 65.9 142.6 254 -3.1 254 -3.7 0 0.0 0 0.0 8 36
258 A 260 GLU E E E DI - 253 0 -81.6 125.2 177.2 -146.0 22.0 129.1 0 0.0 203 -2.2 0 0.0 0 0.0 11 45
259 A 261 ILE I E E Df + 203 0 -91.2 127.6 179.1 175.7 20.2 136.1 252 -2.1 0 0.0 0 0.0 0 0.0 14 59
260 A 262 ALA A E E D* S+ 0 0 -96.5 -40.7 179.5 22.9 71.7 33.1 203 -2.8 290 -2.6 0 0.0 0 0.0 16 65
261 A 263 VAL V E E Dfj - 204 290 -131.8 139.5 178.5 -153.8 60.3 175.4 203 -1.0 205 -3.7 0 0.0 263 -0.6 14 75
262 A 264 VAL V E E Dfj - 205 291 -114.0 107.2 -176.9 -167.4 15.9 166.6 290 -2.3 292 -3.0 0 0.0 264 -0.7 14 79
263 A 265 TYR Y E E Dfj - 206 292 -99.8 104.9 -178.5 -143.2 13.6 156.8 205 -3.1 207 -2.8 261 -0.6 0 0.0 13 77
264 A 266 PHE F E E Df + 207 0 -78.0 124.7 175.8 157.1 36.8 127.1 292 -2.4 147 -0.6 262 -0.7 0 0.0 13 75
265 A 267 ARG R S e S+ 0 0 -114.1 -5.2 -178.8 41.2 73.1 66.6 207 -2.7 0 0.0 0 0.0 0 0.0 10 66
266 A 268 ASP D S S S+ 0 0 -131.6 172.0 177.4 67.4 80.8 143.1 207 -0.6 0 0.0 0 0.0 0 0.0 9 57
267 A 269 GLY G + 0 0 89.5 28.8 179.6 112.6 56.5 43.0 0 0.0 0 0.0 0 0.0 0 0.0 8 64
268 A 270 TYR Y S S S+ 0 0 -107.1 0.7 178.8 53.2 75.0 70.1 0 0.0 0 0.0 0 0.0 0 0.0 10 59
269 A 271 MET M S g > TS- 0 0 -135.1 149.0 -179.8 -122.9 82.3 172.2 0 0.0 272 -1.6 0 0.0 0 0.0 10 49
270 A 272 PRO P G G > TS+ 0 0 -56.6 -40.2 177.8 67.1 106.3 36.5 0 0.0 273 -2.1 0 0.0 0 0.0 7 38
271 A 273 ARG R G G 3 TS+ 0 0 -55.3 -19.2 -178.5 63.8 92.7 46.4 0 0.0 0 0.0 0 0.0 0 0.0 5 32
272 A 274 GLN Q G G < TS+ 0 0 -85.0 -4.6 -177.7 74.2 93.9 58.3 269 -1.6 274 -0.5 0 0.0 0 0.0 9 39
273 A 275 TYR Y g < T + 0 0 -122.0 118.8 173.4 176.3 49.8 155.2 270 -2.1 0 0.0 0 0.0 0 0.0 10 38
274 A 276 SER S h > T - 0 0 -94.6 -178.7 -179.2 -87.5 57.5 111.7 272 -0.5 278 -2.0 0 0.0 0 0.0 7 28
275 A 277 LEU L H H > TS+ 0 0 -60.6 -40.6 179.3 47.4 131.7 26.0 0 0.0 279 -1.5 0 0.0 0 0.0 6 29
276 A 278 GLN Q H H > TS+ 0 0 -72.5 -31.9 178.5 56.3 106.4 35.6 0 0.0 280 -2.2 0 0.0 0 0.0 9 27
277 A 279 ASN N H H > TS+ 0 0 -66.1 -33.4 177.6 55.1 104.4 28.6 0 0.0 281 -3.1 0 0.0 0 0.0 12 40
278 A 280 TRP W H H X TS+ 0 0 -63.5 -42.4 176.3 48.1 108.1 19.4 274 -2.0 282 -2.5 0 0.0 0 0.0 9 44
279 A 281 GLU E H H X TS+ 0 0 -63.7 -37.3 179.9 51.5 111.0 24.1 275 -1.5 283 -3.7 0 0.0 0 0.0 9 39
280 A 282 ALA A H H X TS+ 0 0 -68.8 -39.8 178.9 49.1 109.4 19.3 276 -2.2 284 -2.6 0 0.0 0 0.0 13 51
281 A 283 ARG R H H X TS+ 0 0 -64.2 -40.1 177.5 46.9 113.2 20.7 277 -3.1 285 -2.8 0 0.0 0 0.0 9 71
282 A 284 LEU L H H X TS+ 0 0 -60.8 -47.3 178.9 54.5 110.5 13.3 278 -2.5 286 -2.8 0 0.0 0 0.0 9 58
283 A 285 LEU L H H X TS+ 0 0 -53.9 -44.5 179.5 44.3 110.9 26.9 279 -3.7 287 -0.9 0 0.0 0 0.0 11 59
284 A 286 LEU L H H < TS+ 0 0 -68.3 -39.6 -178.7 51.0 112.5 29.7 280 -2.6 0 0.0 0 0.0 0 0.0 11 70
285 A 287 GLU E H H < TS+ 0 0 -68.1 -28.6 179.0 55.6 106.6 31.2 281 -2.8 0 0.0 0 0.0 0 0.0 11 65
286 A 288 ARG R H H < TS+ 0 0 -70.5 -21.3 -176.5 94.4 95.5 40.6 282 -2.8 0 0.0 0 0.0 0 0.0 11 52
287 A 289 SER S S h < TS- 0 0 -70.4 168.2 179.4 -117.7 82.9 91.3 283 -0.9 115 -0.7 0 0.0 0 0.0 12 54
288 A 290 HIS H S S S+ 0 0 -82.7 -5.4 -179.9 106.9 79.3 59.6 250 -2.9 116 -0.6 0 0.0 0 0.0 13 55
289 A 291 ALA A S S S- 0 0 -76.5 150.1 175.6 -103.6 82.1 119.2 0 0.0 0 0.0 0 0.0 0 0.0 16 68
290 A 292 ALA A E E Dj - 261 0 -65.3 142.1 -178.7 -143.3 40.5 114.2 260 -2.6 262 -2.3 0 0.0 0 0.0 16 65
291 A 293 LYS K E E Dj - 262 0 -115.8 140.5 179.2 -127.8 6.4 161.9 0 0.0 119 -0.9 0 0.0 0 0.0 14 76
292 A 294 CYS C E E Dj S- 263 0 -124.1 98.0 -7.0 -0.5 103.9 148.8 262 -3.0 264 -2.4 0 0.0 0 0.0 13 74
293 A 295 PRO P S S S- 0 0 -80.8 162.7 174.2 -141.8 92.4 48.6 0 0.0 0 0.0 0 0.0 0 0.0 14 74
294 A 296 ASP D h > > T - 0 0 -78.7 163.9 -176.3 -96.0 37.6 119.4 0 0.0 298 -1.6 0 0.0 297 -0.7 11 77
295 A 297 ILE I H H > 3 TS+ 0 0 -54.5 -33.8 179.4 51.9 124.8 34.2 0 0.0 299 -1.9 0 0.0 0 0.0 11 74
296 A 298 ALA A H H > 3 TS+ 0 0 -70.8 -35.4 -177.7 51.2 108.8 27.4 0 0.0 300 -2.1 0 0.0 0 0.0 11 68
297 A 299 THR T H H 4 < TS+ 0 0 -72.7 -29.7 175.6 53.5 106.9 36.4 294 -0.7 0 0.0 0 0.0 0 0.0 15 72
298 A 300 GLN Q H H < > TS+ 0 0 -69.3 -39.2 -179.5 49.6 108.9 25.7 294 -1.6 301 -1.2 0 0.0 0 0.0 11 72
299 A 301 LEU L H H < > TS+ 0 0 -68.1 -33.3 176.9 61.2 103.1 29.4 295 -1.9 302 -2.0 0 0.0 0 0.0 13 72
300 A 302 ALA A T h < 3 TS+ 0 0 -64.7 -17.3 179.7 60.6 97.3 48.5 296 -2.1 0 0.0 0 0.0 0 0.0 13 66
301 A 303 GLY G T T < TS+ 0 0 -91.3 6.0 179.5 118.7 78.5 69.4 298 -1.2 0 0.0 0 0.0 0 0.0 13 70
302 A 304 THR T S h > < TS- 0 0 -68.8 153.1 178.4 -126.4 71.9 108.6 299 -2.0 306 -2.0 0 0.0 0 0.0 10 77
303 A 305 LYS K H H > TS+ 0 0 -65.4 -38.3 174.8 56.4 112.4 26.1 0 0.0 307 -2.8 0 0.0 0 0.0 12 66
304 A 306 LYS K H H > TS+ 0 0 -59.3 -50.6 176.2 47.7 106.7 13.5 0 0.0 308 -3.0 0 0.0 0 0.0 13 67
305 A 307 VAL V H H > TS+ 0 0 -58.7 -41.2 178.5 52.4 111.5 19.3 0 0.0 309 -2.0 0 0.0 0 0.0 13 69
306 A 308 GLN Q H H < TS+ 0 0 -57.4 -46.0 179.9 47.5 110.3 23.9 302 -2.0 0 0.0 0 0.0 0 0.0 12 69
307 A 309 GLN Q H H < > TS+ 0 0 -61.4 -49.9 -180.0 52.1 110.2 8.1 303 -2.8 310 -2.4 0 0.0 0 0.0 12 62
308 A 310 GLU E H H < > TS+ 0 0 -54.5 -39.4 -179.2 62.2 100.5 29.7 304 -3.0 311 -1.6 0 0.0 0 0.0 11 58
309 A 311 LEU L T h < 3 TS+ 0 0 -63.8 -12.6 -179.1 64.8 93.3 53.4 305 -2.0 0 0.0 0 0.0 0 0.0 8 60
310 A 312 SER S T T < TS+ 0 0 -88.0 -14.5 177.5 107.4 75.4 47.5 307 -2.4 0 0.0 0 0.0 0 0.0 11 49
311 A 313 ARG R S t X TS- 0 0 -62.1 135.0 -178.8 -90.9 87.5 110.0 308 -1.6 314 -2.7 0 0.0 0 0.0 8 37
312 A 314 PRO P T T 3 TS+ 0 0 -47.7 140.9 -175.3 15.9 112.7 90.3 0 0.0 0 0.0 0 0.0 0 0.0 5 28
313 A 315 GLY G T h > 3 TS+ 0 0 73.6 -13.7 179.8 102.3 98.6 68.6 0 0.0 317 -2.1 0 0.0 0 0.0 6 25
314 A 316 MET M H H > < TS+ 0 0 -70.0 -41.4 179.0 43.2 83.7 16.9 311 -2.7 318 -1.3 0 0.0 0 0.0 10 40
315 A 317 LEU L H H > > TS+ 0 0 -63.7 -46.7 -179.8 55.3 113.3 19.2 0 0.0 319 -2.3 0 0.0 318 -0.7 13 44
316 A 318 GLU E H H 4 3 TS+ 0 0 -53.2 -45.3 178.6 48.7 106.8 28.0 0 0.0 0 0.0 0 0.0 0 0.0 11 32
317 A 319 MET M H H < 3 TS+ 0 0 -70.2 -24.2 -178.2 45.6 114.2 41.9 313 -2.1 0 0.0 0 0.0 0 0.0 7 36
318 A 320 LEU L H H < < TS+ 0 0 -86.6 -32.7 -177.5 27.9 126.2 31.7 314 -1.3 0 0.0 315 -0.7 0 0.0 9 42
319 A 321 LEU L S h < > TS- 0 0 -127.1 69.7 -177.7 -166.3 87.7 133.3 315 -2.3 322 -1.5 0 0.0 0 0.0 11 37
320 A 322 PRO P T T 3 T + 0 0 -66.9 136.2 177.0 14.9 69.5 115.9 0 0.0 0 0.0 0 0.0 0 0.0 8 25
321 A 323 GLY G T T 3 TS+ 0 0 78.5 16.3 -179.3 109.6 95.7 57.9 0 0.0 0 0.0 0 0.0 0 0.0 5 20
322 A 324 GLN Q h > < T + 0 0 -126.2 76.3 -177.0 157.0 30.1 130.0 319 -1.5 326 -2.3 0 0.0 0 0.0 8 25
323 A 325 PRO P H H > TS+ 0 0 -70.4 -31.7 179.6 48.6 72.5 44.5 0 0.0 327 -1.6 0 0.0 0 0.0 8 24
324 A 326 GLU E H H > TS+ 0 0 -76.9 -42.0 178.8 47.3 114.7 25.0 0 0.0 328 -2.9 0 0.0 0 0.0 6 26
325 A 327 ALA A H H > TS+ 0 0 -60.3 -47.6 -178.8 52.3 111.9 13.3 0 0.0 329 -2.5 0 0.0 0 0.0 9 38
326 A 328 VAL V H H X TS+ 0 0 -53.9 -43.4 -179.0 46.8 110.9 28.1 322 -2.3 330 -2.3 0 0.0 0 0.0 12 37
327 A 329 ALA A H H X TS+ 0 0 -68.1 -44.8 -179.5 51.9 109.0 29.8 323 -1.6 331 -2.5 0 0.0 0 0.0 8 38
328 A 330 ARG R H H X TS+ 0 0 -60.3 -42.3 -178.8 44.4 115.2 21.5 324 -2.9 332 -0.6 0 0.0 0 0.0 10 40
329 A 331 LEU L H H < > TS+ 0 0 -64.5 -48.6 -179.2 50.2 112.0 22.9 325 -2.5 332 -1.0 0 0.0 0 0.0 11 56
330 A 332 ARG R H H < > TS+ 0 0 -62.8 -37.5 179.5 66.6 99.0 28.3 326 -2.3 333 -2.1 0 0.0 0 0.0 9 48
331 A 333 ALA A H H < 3 TS+ 0 0 -56.1 -26.2 -177.4 53.1 100.2 36.3 327 -2.5 0 0.0 0 0.0 0 0.0 8 45
332 A 334 THR T T h < < TS+ 0 0 -87.0 -5.2 -176.5 105.6 85.2 54.3 329 -1.0 140 -3.6 328 -0.6 0 0.0 9 57
333 A 335 PHE F t < T - 0 0 -82.7 131.7 177.2 -169.2 48.3 128.0 330 -2.1 0 0.0 0 0.0 0 0.0 10 53
334 A 336 ALA A - 0 0 -98.1 -172.2 179.8 -55.3 51.5 108.7 0 0.0 0 0.0 0 0.0 0 0.0 8 49
335 A 337 GLY G e - 0 0 -69.9 129.8 -177.9 -179.1 59.0 115.9 0 0.0 397 -2.3 0 0.0 0 0.0 6 49
336 A 338 LEU L E E EK - 396 0 -134.2 127.1 -175.2 -163.8 5.9 175.2 0 0.0 0 0.0 0 0.0 0 0.0 12 51
337 A 339 TYR Y E E EK - 395 0 -124.7 128.4 176.9 -135.2 17.0 162.6 395 -2.9 395 -2.4 0 0.0 0 0.0 11 54
338 A 340 SER S E E EK - 394 0 -67.9 148.9 177.0 -163.0 9.3 111.9 0 0.0 0 0.0 0 0.0 0 0.0 14 55
339 A 341 LEU L e + 0 0 -117.1 21.3 -178.5 135.3 43.3 83.5 393 -0.7 0 0.0 0 0.0 0 0.0 15 59
340 A 342 ASP D S S S- 0 0 -63.1 164.1 179.4 -76.7 74.8 99.9 0 0.0 0 0.0 0 0.0 0 0.0 10 47
341 A 343 VAL V S S S+ 0 0 -58.8 136.9 -179.9 71.7 97.2 115.0 0 0.0 0 0.0 0 0.0 0 0.0 9 35
342 A 344 GLY G S h > TS- 0 0 141.8 173.5 -177.8 -63.3 96.5 138.1 0 0.0 346 -2.3 0 0.0 0 0.0 7 24
343 A 345 GLU E H H > TS+ 0 0 -64.5 -41.0 -179.2 52.6 123.5 34.0 0 0.0 347 -2.2 0 0.0 0 0.0 6 19
344 A 346 GLU E H H > TS+ 0 0 -61.6 -47.1 179.7 47.1 111.7 18.1 0 0.0 348 -2.1 0 0.0 0 0.0 10 29
345 A 347 GLY G H H > TS+ 0 0 -61.5 -44.7 178.8 51.7 111.3 25.9 0 0.0 349 -2.3 0 0.0 0 0.0 12 44
346 A 348 ASP D H H X TS+ 0 0 -61.6 -39.3 -179.0 48.8 110.9 29.5 342 -2.3 350 -1.8 0 0.0 0 0.0 11 36
347 A 349 GLN Q H H X TS+ 0 0 -66.4 -43.7 179.0 48.9 109.8 26.1 343 -2.2 351 -2.4 0 0.0 0 0.0 8 32
348 A 350 ALA A H H X TS+ 0 0 -61.3 -40.5 177.4 53.6 110.3 27.0 344 -2.1 352 -2.8 0 0.0 0 0.0 12 45
349 A 351 ILE I H H X TS+ 0 0 -62.4 -41.9 178.9 48.5 108.6 18.5 345 -2.3 353 -2.4 0 0.0 0 0.0 11 52
350 A 352 ALA A H H X TS+ 0 0 -65.9 -42.6 176.8 49.0 112.2 21.6 346 -1.8 354 -1.6 0 0.0 0 0.0 8 40
351 A 353 GLU E H H X TS+ 0 0 -62.1 -43.4 -178.4 48.3 111.9 24.2 347 -2.4 355 -1.8 0 0.0 0 0.0 9 35
352 A 354 ALA A H H < TS+ 0 0 -64.8 -36.7 178.5 49.9 112.1 27.6 348 -2.8 0 0.0 0 0.0 0 0.0 11 44
353 A 355 LEU L H H < TS+ 0 0 -70.4 -29.6 179.0 48.5 112.0 38.1 349 -2.4 0 0.0 0 0.0 0 0.0 9 36
354 A 356 ALA A H H < TS+ 0 0 -81.0 -32.0 -178.0 15.6 130.8 37.2 350 -1.6 0 0.0 0 0.0 0 0.0 6 25
355 A 357 ALA A S h < > TS+ 0 0 -141.8 71.9 -175.5 169.4 70.2 124.5 351 -1.8 358 -1.8 0 0.0 0 0.0 8 29
356 A 358 PRO P G T > TS+ 0 0 -65.0 -19.3 178.1 67.4 70.7 45.3 0 0.0 359 -1.0 0 0.0 374 -0.6 13 34
357 A 359 SER S G T 3 TS+ 0 0 -75.7 -10.4 -177.4 59.8 97.2 45.7 0 0.0 0 0.0 0 0.0 0 0.0 7 35
358 A 360 ARG R G e < TS+ 0 0 -96.5 5.0 -177.6 52.1 100.0 65.9 355 -1.8 398 -3.2 0 0.0 0 0.0 9 40
359 A 361 PHE F E E EL < T - 397 0 -136.3 162.1 175.0 -147.9 59.3 156.0 356 -1.0 0 0.0 0 0.0 0 0.0 12 48
360 A 362 VAL V E E EL - 396 0 -128.4 144.8 -180.0 -141.4 14.5 168.0 396 -2.6 396 -2.5 0 0.0 362 -0.5 13 59
361 A 363 LEU L E E ELB - 395 372 -110.0 121.6 -176.3 -165.9 23.0 158.9 372 -2.6 372 -3.2 0 0.0 0 0.0 12 64
362 A 364 LYS K E E EL - 394 0 -122.8 125.0 176.6 -159.0 14.5 158.6 394 -2.7 394 -1.3 360 -0.5 0 0.0 13 63
363 A 365 PRO P E E EL - 393 0 -78.9 169.9 -175.8 -89.5 49.4 100.9 0 0.0 365 -2.2 0 0.0 0 0.0 10 57
364 A 366 GLN Q S e S+ 0 0 -86.2 68.0 -177.3 120.2 88.2 116.6 392 -0.6 0 0.0 0 0.0 0 0.0 11 64
365 A 367 ARG R - 0 0 -123.6 178.9 -177.2 -148.9 46.8 132.4 363 -2.2 0 0.0 0 0.0 0 0.0 11 59
366 A 368 GLU E + 0 0 -150.3 154.9 176.7 43.1 61.1 170.2 0 0.0 0 0.0 0 0.0 0 0.0 8 57
367 A 369 GLY G S S S- 0 0 91.7 3.7 175.9 -77.3 100.4 59.2 0 0.0 0 0.0 0 0.0 0 0.0 9 51
368 A 370 GLY G S S S+ 0 0 88.4 148.0 177.8 72.9 98.9 76.2 0 0.0 0 0.0 0 0.0 0 0.0 10 48
369 A 371 GLY G S S S+ 0 0 90.4 2.3 -175.1 86.6 80.1 64.0 0 0.0 0 0.0 0 0.0 0 0.0 8 31
370 A 372 ASN N + 0 0 -109.9 -21.7 -180.0 92.6 58.6 44.6 0 0.0 0 0.0 0 0.0 0 0.0 8 41
371 A 373 ASN N - 0 0 -71.4 166.8 -178.0 -132.4 65.5 101.4 0 0.0 0 0.0 0 0.0 0 0.0 10 46
372 A 374 LEU L B B B + 361 0 -124.3 142.2 -177.9 177.6 25.3 162.0 361 -3.2 361 -2.6 0 0.0 0 0.0 9 44
373 A 375 TYR Y h > > T - 0 0 -136.5 170.2 175.6 -23.2 45.0 151.3 0 0.0 377 -2.1 0 0.0 376 -1.2 13 42
374 A 376 GLY G H H > 3 TS+ 0 0 32.1 -119.9 179.0 12.6 126.7 83.9 356 -0.6 378 -2.8 0 0.0 0 0.0 9 36
375 A 377 GLU E H H > 3 TS+ 0 0 -51.4 -46.9 -178.5 42.8 135.3 28.2 0 0.0 379 -2.3 0 0.0 0 0.0 7 26
376 A 378 GLU E H H > < TS+ 0 0 -70.0 -38.8 179.5 51.5 114.3 25.2 373 -1.2 380 -2.4 0 0.0 0 0.0 8 32
377 A 379 MET M H H X TS+ 0 0 -61.3 -47.9 -179.7 48.9 110.7 19.3 373 -2.1 381 -2.5 0 0.0 0 0.0 12 43
378 A 380 VAL V H H X TS+ 0 0 -56.9 -51.6 177.9 47.2 112.6 20.3 374 -2.8 382 -2.0 0 0.0 0 0.0 12 36
379 A 381 GLN Q H H X TS+ 0 0 -57.6 -40.1 179.8 47.6 114.3 30.5 375 -2.3 383 -0.9 0 0.0 0 0.0 8 29
380 A 382 ALA A H H X TS+ 0 0 -69.6 -40.7 179.9 53.1 109.2 27.5 376 -2.4 384 -2.7 0 0.0 0 0.0 8 38
381 A 383 LEU L H H X TS+ 0 0 -62.1 -40.1 -179.1 57.4 103.4 28.5 377 -2.5 385 -2.1 0 0.0 0 0.0 10 49
382 A 384 LYS K H H < TS+ 0 0 -64.8 -27.4 177.7 38.6 114.4 37.6 378 -2.0 0 0.0 0 0.0 0 0.0 7 34
383 A 385 GLN Q H H < TS+ 0 0 -89.0 -34.8 -179.8 50.5 116.6 37.4 379 -0.9 0 0.0 0 0.0 0 0.0 8 28
384 A 386 LEU L H H < > TS+ 0 0 -72.2 -29.2 -177.2 82.8 87.7 36.8 380 -2.7 387 -2.4 0 0.0 0 0.0 10 39
385 A 387 LYS K T h < 3 TS+ 0 0 -42.7 -50.7 -179.5 29.8 105.0 30.8 381 -2.1 0 0.0 0 0.0 0 0.0 9 37
386 A 388 ASP D T T 3 TS+ 0 0 -99.7 16.4 178.7 91.7 107.1 78.5 0 0.0 0 0.0 0 0.0 0 0.0 6 28
387 A 389 SER S S g X TS- 0 0 -113.3 154.9 175.1 -136.2 71.8 146.0 384 -2.4 390 -0.9 0 0.0 0 0.0 7 27
388 A 390 GLU E G G > TS+ 0 0 -67.7 -28.7 179.3 77.6 101.7 38.1 0 0.0 391 -1.9 0 0.0 0 0.0 9 33
389 A 391 GLU E G G > T + 0 0 -53.4 -28.6 175.8 83.9 68.8 40.7 0 0.0 392 -3.2 0 0.0 0 0.0 8 40
390 A 392 ARG R G G X TS+ 0 0 -46.1 -33.7 -178.0 71.1 76.7 32.3 387 -0.9 393 -1.9 0 0.0 0 0.0 12 52
391 A 393 ALA A G G < TS+ 0 0 -65.8 -12.2 177.8 71.7 81.5 46.8 388 -1.9 0 0.0 0 0.0 0 0.0 13 53
392 A 394 SER S G e < TS+ 0 0 -76.1 -9.8 -177.9 52.7 100.6 54.5 389 -3.2 364 -0.6 0 0.0 0 0.0 12 57
393 A 395 TYR Y E E E L< T - 0 363 -119.9 172.6 173.2 -155.5 61.9 134.6 390 -1.9 339 -0.7 0 0.0 0 0.0 13 65
394 A 396 ILE I E E EKL - 338 362 -136.9 163.9 -179.6 -132.0 18.8 156.0 362 -1.3 362 -2.7 0 0.0 0 0.0 15 70
395 A 397 LEU L E E EKL - 337 361 -120.1 147.2 -180.0 -169.9 23.1 159.3 337 -2.4 337 -2.9 0 0.0 0 0.0 13 67
396 A 398 MET M E E EKL - 336 360 -142.0 148.6 175.8 -105.9 30.1 174.2 360 -2.5 360 -2.6 0 0.0 0 0.0 12 67
397 A 399 GLU E E E E L - 0 359 -59.9 127.0 178.3 -125.3 42.9 117.7 335 -2.3 0 0.0 0 0.0 0 0.0 10 56
398 A 400 LYS K e - 0 0 -79.6 131.2 173.9 -142.5 15.0 129.4 358 -3.2 0 0.0 0 0.0 0 0.0 8 53
399 A 401 ILE I - 0 0 -84.6 141.6 -179.4 -166.2 14.0 141.7 0 0.0 0 0.0 0 0.0 0 0.0 9 49
400 A 402 GLU E - 0 0 -130.0 77.1 -176.8 -164.1 10.2 139.6 0 0.0 0 0.0 0 0.0 0 0.0 7 48
401 A 403 PRO P - 0 0 -61.0 157.0 177.4 -89.3 34.4 101.6 0 0.0 0 0.0 0 0.0 0 0.0 11 49
402 A 404 GLU E - 0 0 -68.3 128.7 179.7 -126.0 48.3 122.8 0 0.0 0 0.0 0 0.0 0 0.0 8 37
403 A 405 PRO P - 0 0 -74.3 149.8 -179.8 -172.0 27.5 111.5 0 0.0 0 0.0 0 0.0 0 0.0 8 36
404 A 406 PHE F E E B M - 0 420 -141.1 148.2 -179.5 -104.1 27.7 171.2 420 -2.2 420 -2.7 0 0.0 0 0.0 8 46
405 A 407 GLU E E E B M + 0 419 -79.3 142.2 176.0 146.8 49.4 123.1 0 0.0 0 0.0 0 0.0 0 0.0 10 42
406 A 408 ASN N E E B M - 0 418 -150.9 -173.6 179.6 -109.1 43.8 144.9 418 -2.0 418 -1.8 0 0.0 0 0.0 15 58
407 A 409 CYS C E E B M - 0 417 -130.6 130.6 -177.8 -149.3 24.9 172.0 0 0.0 50 -2.7 0 0.0 0 0.0 12 60
408 A 410 LEU L E E BBM - 49 416 -105.1 134.6 177.2 -161.4 5.1 148.3 416 -3.1 416 -2.1 0 0.0 410 -0.5 15 61
409 A 411 LEU L E E BB + 48 0 -113.1 122.9 -179.0 163.4 18.1 161.5 48 -2.8 48 -2.2 0 0.0 0 0.0 14 58
410 A 412 ARG R t > T - 0 0 -138.0 132.5 -177.1 -98.5 46.0 178.6 408 -0.5 413 -1.8 0 0.0 0 0.0 12 49
411 A 413 PRO P T T 3 TS+ 0 0 -53.9 132.9 177.3 17.4 106.0 102.7 0 0.0 0 0.0 0 0.0 0 0.0 9 41
412 A 414 GLY G T T 3 TS+ 0 0 87.8 -3.3 178.1 85.8 110.3 62.7 0 0.0 0 0.0 0 0.0 0 0.0 4 25
413 A 415 SER S S t < TS- 0 0 -130.9 149.2 178.2 -101.7 84.7 166.7 410 -1.8 0 0.0 0 0.0 0 0.0 6 28
414 A 416 PRO P - 0 0 -66.9 150.8 176.0 -83.8 52.0 105.6 0 0.0 0 0.0 0 0.0 0 0.0 7 29
415 A 417 ALA A - 0 0 -48.4 139.3 -177.6 -148.2 52.6 108.2 0 0.0 417 -0.5 0 0.0 0 0.0 10 43
416 A 418 ARG R E E BM - 408 0 -127.9 114.4 178.3 -158.1 11.9 161.4 408 -2.1 408 -3.1 0 0.0 418 -0.6 7 46
417 A 419 VAL V E E BM + 407 0 -84.8 119.5 -179.2 140.2 39.2 142.8 415 -0.5 0 0.0 0 0.0 0 0.0 9 45
418 A 420 VAL V E E BM - 406 0 -155.8 168.8 176.2 -84.8 58.6 170.2 406 -1.8 406 -2.0 416 -0.6 0 0.0 10 42
419 A 421 GLN Q E E BM - 405 0 -75.0 136.3 -177.3 -178.3 56.3 124.5 0 0.0 452 -2.7 0 0.0 0 0.0 10 41
420 A 422 CYS C E E BMN - 404 451 -135.9 164.4 173.1 -151.1 24.2 158.6 404 -2.7 404 -2.2 0 0.0 0 0.0 12 54
421 A 423 ILE I E E B N - 0 450 -133.7 150.9 -178.3 -140.5 19.3 162.3 450 -2.1 450 -2.3 0 0.0 0 0.0 12 61
422 A 424 SER S E E B N - 0 449 -111.9 164.7 177.5 -154.0 7.7 133.4 0 0.0 0 0.0 0 0.0 0 0.0 11 69
423 A 425 GLU E E E B N - 0 448 -132.9 118.3 178.8 -148.2 16.9 171.7 448 -2.6 448 -2.8 0 0.0 425 -0.5 11 68
424 A 426 LEU L E E BDN - 126 447 -95.7 123.7 178.4 -170.3 14.6 146.2 126 -2.4 126 -2.9 0 0.0 0 0.0 12 73
425 A 427 GLY G E E BDN - 125 446 -110.8 145.0 179.2 -159.4 9.3 146.8 446 -3.1 446 -2.1 423 -0.5 0 0.0 12 73
426 A 428 ILE I E E BDN - 124 445 -126.7 128.4 -179.0 -134.9 18.6 177.7 124 -1.7 124 -2.3 0 0.0 0 0.0 15 70
427 A 429 PHE F E E BDN - 123 444 -86.8 134.7 -179.3 -158.7 20.8 135.0 444 -2.5 443 -2.5 0 0.0 444 -0.7 18 70
428 A 430 GLY G E E BDN - 122 442 -117.6 146.1 177.0 -170.6 9.2 154.0 122 -2.8 122 -2.4 0 0.0 0 0.0 18 66
429 A 431 VAL V E E BDN + 121 441 -135.4 129.5 175.3 158.1 13.3 169.9 441 -4.3 441 -4.4 0 0.0 0 0.0 17 65
430 A 432 TYR Y E E BDN - 120 440 -145.4 149.3 178.6 -168.9 14.4 177.0 120 -1.8 120 -2.4 0 0.0 0 0.0 14 65
431 A 433 VAL V E E BDN - 119 439 -139.2 142.4 180.0 -173.7 5.0 177.5 439 -2.8 438 -2.6 0 0.0 439 -2.4 15 61
432 A 434 ARG R E E BDN - 118 437 -139.2 138.9 178.6 -151.8 16.6 173.9 118 -2.6 118 -3.5 0 0.0 434 -0.5 12 48
433 A 435 GLN Q E E BDN> TS- 117 436 -108.9 118.7 -176.8 -42.9 78.2 166.4 436 -1.9 436 -2.5 0 0.0 435 -0.9 11 39
434 A 436 GLU E T e 3 TS- 0 0 55.3 -95.4 -179.0 -26.3 126.6 111.9 116 -2.6 0 0.0 432 -0.5 0 0.0 7 31
435 A 437 LYS K T T 3 TS+ 0 0 -132.4 8.6 179.8 100.5 113.9 74.4 433 -0.9 437 -0.7 0 0.0 0 0.0 5 27
436 A 438 THR T E E BN < TS- 433 0 -100.7 116.9 177.6 -134.1 70.0 151.4 433 -2.5 433 -1.9 0 0.0 0 0.0 6 24
437 A 439 LEU L E E BN + 432 0 -66.9 118.0 -177.6 174.7 29.3 121.6 435 -0.7 0 0.0 0 0.0 0 0.0 9 35
438 A 440 VAL V E E B* + 0 0 -101.9 -22.0 176.5 16.9 66.0 45.0 431 -2.6 0 0.0 0 0.0 0 0.0 8 35
439 A 441 MET M E E BN + 431 0 -147.6 136.7 176.3 166.6 59.9 167.6 431 -2.4 431 -2.8 0 0.0 0 0.0 9 41
440 A 442 ASN N E E BN + 430 0 -148.0 111.2 -178.4 137.0 25.9 149.5 0 0.0 0 0.0 0 0.0 0 0.0 12 47
441 A 443 LYS K E E BN - 429 0 -153.6 166.9 168.7 -121.7 52.3 173.5 429 -4.4 429 -4.3 0 0.0 0 0.0 10 45
442 A 444 HIS H E E BN - 428 0 -97.4 145.8 -178.2 -174.5 28.7 140.6 0 0.0 0 0.0 0 0.0 0 0.0 11 53
443 A 445 VAL V E E B* - 0 0 -125.5 -4.1 178.8 -49.0 50.0 59.8 427 -2.5 0 0.0 0 0.0 0 0.0 13 56
444 A 446 GLY G E E BN - 427 0 159.2 -175.8 -178.2 -96.9 56.0 159.8 427 -0.7 427 -2.5 0 0.0 0 0.0 12 59
445 A 447 HIS H E E BN - 426 0 -131.6 171.3 177.3 -152.9 11.4 141.4 0 0.0 0 0.0 0 0.0 0 0.0 12 66
446 A 448 LEU L E E BN - 425 0 -145.7 119.1 177.3 -161.7 5.9 158.3 425 -2.1 425 -3.1 0 0.0 448 -0.6 14 77
447 A 449 LEU L E E BNO - 424 467 -102.1 121.1 177.5 -170.9 11.0 161.4 467 -0.8 467 -1.7 0 0.0 0 0.0 12 75
448 A 450 ARG R E E BNO - 423 466 -114.3 132.2 -179.2 -171.7 6.4 163.6 423 -2.8 423 -2.6 446 -0.6 0 0.0 15 73
449 A 451 THR T E E BNO - 422 465 -124.4 149.1 -177.9 -177.9 4.4 157.6 465 -2.3 465 -3.1 0 0.0 0 0.0 13 65
450 A 452 LYS K E E BN - 421 0 -146.6 159.8 177.5 -90.4 35.5 165.0 421 -2.3 421 -2.1 0 0.0 0 0.0 13 58
451 A 453 ALA A E E BN > T - 420 0 -66.9 139.5 -177.7 -113.6 45.5 116.9 0 0.0 454 -1.8 0 0.0 0 0.0 12 47
452 A 454 ILE I T e 3 TS+ 0 0 -52.8 -27.6 -179.7 67.2 107.1 49.6 419 -2.7 0 0.0 0 0.0 0 0.0 10 37
453 A 455 GLU E T T 3 TS+ 0 0 -73.4 -11.4 -178.7 93.3 79.6 51.8 0 0.0 455 -0.6 0 0.0 0 0.0 4 31
454 A 456 HIS H t < T - 0 0 -87.1 117.6 179.1 -174.0 50.9 137.2 451 -1.8 0 0.0 0 0.0 0 0.0 8 39
455 A 457 ALA A S S S+ 0 0 -73.1 -39.0 -176.6 41.7 75.9 30.3 453 -0.6 0 0.0 0 0.0 0 0.0 6 46
456 A 458 ASP D S S S- 0 0 -93.0 -162.7 -175.7 -174.5 73.8 84.7 0 0.0 0 0.0 0 0.0 0 0.0 8 52
457 A 459 GLY G + 0 0 -167.7 -152.0 -179.5 136.8 23.4 148.6 0 0.0 0 0.0 0 0.0 0 0.0 12 51
458 A 460 GLY G t >T - 0 0 94.1 135.6 177.2 -123.5 44.4 72.1 0 0.0 463 -2.4 0 0.0 464 -1.6 13 54
459 A 461 VAL V T T >5TS+ 0 0 -76.0 -55.5 179.7 45.9 111.5 15.3 0 0.0 462 -2.8 0 0.0 0 0.0 11 61
460 A 462 ALA A T T 35TS+ 0 0 -58.8 -33.0 178.7 59.3 108.7 32.0 0 0.0 0 0.0 0 0.0 0 0.0 7 54
461 A 463 ALA A T T 35TS- 0 0 -73.2 -4.2 178.7 -110.7 120.0 59.9 0 0.0 0 0.0 0 0.0 0 0.0 10 40
462 A 464 GLY G T T <5TS+ 0 0 89.6 11.5 -178.6 88.4 91.9 51.9 459 -2.8 0 0.0 0 0.0 0 0.0 7 43
463 A 465 VAL V S t 5555< 5-turns
3-turns >>><<< >33< >33< >33< >33< >33<>>3<< 3-turns
bridge-2 a bridge-2
bridge-1 AAA AAA BB ccc bridge-1
sheets AAA AAA BB CCC sheets
4-turns >444< >>>>XXXXXXXXXXX<<<< >>>>XXX<<>>XXXXXXX<<>>XXX<4>>XX 4-turns
summary gGGGGghHHHHHHHHHHHHHHHHHhTeEEEeSStTTt SeEEEe EEeS eEEEHHHHHHHHHhHHHHHHHHHHHHHhHHHHHHHHHhHHHHhHHHHH summary
sequence TNWGSLLQDKQQLEELARQAVDRALAEGVLLRTSQEPTSSEVVSYAPFTLFPSLVPSALLEQAYAVQMDFNLLVDAVSQNAAFLEQTLSSTIKQDDFTAR sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHHHHHHHHHH EEEEEEEEEEEEEE SSS EEEEEEEEE SS HHHHHHSHHHHHHHHHHTT HHHHTTS HHHHHHHHHHHHHHHH T Kabs/Sand
chirality ++++++++++---+-+-+--+---+------+-+---+-----++---+++++++++++++++++++-++++++++---+++++++++++++++++-+-+ chirality
bends SSSSSSSSSSS SSS SS SSSSSSSSSSSSSSSSSSS SSSSSS SSSSSSSSSSSSSSS S bends
turns TTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >33< >>3<< >>3<< >>3<< >33< >33< >3 3-turns
bridge-2 EEEEEEEE bridge-2
bridge-1 DDDDDDDDDD EEEEE*EEE bridge-1
sheets BBBBBBBBBBBBBB BBBBBBBBB sheets
4-turns XXXXXXXX<<<< >>>><<>>XXXX<<<< >>4><<4< >>>>XXXXXXXXXX<<<< 4-turns
summary HHHHHHHHHHHh eEEEEEEEEEEEEEEeSSSeEEEEEEEEE SS hHHHHHHhHHHHHHHHHHhThHHHHhTt hHHHHHHHHHHHHHHHHhtT summary
sequence LFDIHKQVLKEGIAQTVFLGLNRSDYMFQRSADGSPALKQIEINTISASFGGLASRTPAVHRHVLSVLSKTKEAGKILSNNPSKGLALGIAKAWELYGSP sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand T EEEEE SS TTHHHHHHHHHHHHTTT EEEE HHHHHHHEEE SS EEETTEEEEEEEESS SSGGG HHHHHHHHHHHHSSSEEES HHHHHT Kabs/Sand
chirality +-----+--++-+++++++++++++++-+----+--++++++++---+-+-----+--++---+++++-++++-++++++++++++-+------++++++ chirality
bends S SS S SSSSSSSSSSSSSS SSSSSSS SS SSS S SS SSSSS SSSSSSSSSSSSSSS SS SSSSSS bends
turns TT TTTTTTTTTTTTTTTTTTT TTTTTTTTT TTTT TTTTTTTTTTTTTTTTTTT TTTTTTT turns
5-turns >5555< 5-turns
3-turns 3< >33< >33< >>3<< >33< >33< >>3<< >33<>>3 3-turns
bridge-2 gggg II jjj bridge-2
bridge-1 fffff gggg HHH HHH IIf*ffff jjj bridge-1
sheets DDDDD DDDD DDD DDD DDDDDDDD DDD sheets
4-turns >>>>XXXXXX<<<< >>>>X<<<< >>>>XXXXXX<<<< >>>4<<< 4-turns
summary TtEEEEEe SStThHHHHHHHHHHHHhTTteEEEEhHHHHHHHEEEeSS eEEEeTEEEEEEEEeS SgGGGghHHHHHHHHHHHHhSSEEEShHHHHHh summary
sequence NALVLLIAQEKERNIFDQRAIENELLARNIHVIRRTFEDISEKGSLDQDRRLFVDGQEIAVVYFRDGYMPRQYSLQNWEARLLLERSHAAKCPDIATQLA sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand TSHHHHHHTTSTTHHHHHSTT HHHHHHHHHT EEE SSSHHHHHHHHHHHHSGGGEEEEES SSS B HHHHHHHHHHHTTSGGGGGEEEEE Kabs/Sand
chirality +-++++++++-+++++++-+++++++++++++------+-+-++++++++++++++++-----+-+-+++-+-+++++++++++++-+++++-------- chirality
bends SSSSSSSSSSSSSSSSSSS S SSSSSSSSSS SSSSSSSSSSSSSSSSSSS S SSS SSSSSSSSSSSSSSS SSS bends
turns TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTT turns
5-turns 5-turns
3-turns << >>333<>33< >>3<< >>3<< >33< >33X>>X<<< 3-turns
bridge-2 B LLLLL bridge-2
bridge-1 KKK LLLLL B KKK bridge-1
sheets EEE EEEEE EEEEE sheets
4-turns >>>><<<< >>>4<<< >>>>XXX<<<< >>>>XXXXXX<<<< >>>>XXXXX<<<< 4-turns
summary ThHHHHHHhTtThHHHHHhTThHHHHHHHHHht eEEEeSShHHHHHHHHHHHHhTTeEEEEEe SSS BhHHHHHHHHHHHhTgGGGGeEEEEEe summary
sequence GTKKVQQELSRPGMLEMLLPGQPEAVARLRATFAGLYSLDVGEEGDQAIAEALAAPSRFVLKPQREGGGNNLYGEEMVQALKQLKDSEERASYILMEKIE sequence
310 320 330 340 350 360 370 380 390 400
author author
Kabs/Sand EEEEEE TTS EEEEEEEEEEEEEEEEEETTEEEEEEEEEEEEEEEETT SS TTTTS EEE EEE Kabs/Sand
chirality ----+---+-++----+-----------+-----+-++++-----------++-+-+-++-++--+---- chirality
bends SSS SSSS SS SS SSSSS bends
turns TTTT TTTT TTTT TTTTTT turns
5-turns >5555< 5-turns
3-turns >33< >33< >33< >33< 3-turns
bridge-2 MMMMM NNNNNNNNNNNNNN OOO a bridge-2
bridge-1 BB MMMMM DDDDDDDDDD NN*NNNN*NNNNNNNN OOO ccc bridge-1
sheets BBBBBB BBBBBBBBBBBBBBBBBB BBBBBBBBBBBBBBBB BBB CCC sheets
4-turns 4-turns
summary EEEEEEtTTt EEEEEEEEEEEEEEEEEEeTEEEEEEEEEEEEEEEEeTtSS tTTTTt EEE EEE summary
sequence PEPFENCLLRPGSPARVVQCISELGIFGVYVRQEKTLVMNKHVGHLLRTKAIEHADGGVAAGVAVLDNPYPV sequence
410 420 430 440 450 460 470