Secondary structure calculation program - copyright by David Keith Smith, 1989
1c7qA.pdb
1C7Q ISOMERASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 442
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 2 ALA A e 0 0 999.9 140.5 177.9 999.9 999.9 999.9 0 0.0 380 -1.7 0 0.0 0 0.0 7 42
2 A 3 ILE I E E AA + 379 0 -134.7 130.4 172.2 176.4 999.9 168.8 0 0.0 0 0.0 0 0.0 0 0.0 10 52
3 A 4 SER S E E AA - 378 0 -132.2 151.0 -179.9 -139.2 19.5 166.9 378 -1.9 378 -2.7 0 0.0 0 0.0 8 44
4 A 5 PHE F E E AA - 377 0 -112.4 136.7 -175.4 -169.7 13.5 161.1 0 0.0 0 0.0 0 0.0 0 0.0 12 49
5 A 6 ASP D E E AA + 376 0 -129.5 112.0 176.1 164.5 17.7 166.0 376 -2.7 376 -2.4 0 0.0 0 0.0 9 46
6 A 7 TYR Y g > > T + 0 0 -107.3 13.8 -174.3 111.4 45.7 72.1 0 0.0 9 -2.8 0 0.0 10 -0.6 11 49
7 A 8 SER S G G 4 > TS+ 0 0 -63.2 -23.4 178.1 59.7 72.5 35.0 0 0.0 10 -0.9 0 0.0 0 0.0 6 40
8 A 9 ASN N G G 4 3 TS+ 0 0 -89.8 9.8 165.1 56.6 100.3 66.8 0 0.0 374 -1.2 0 0.0 0 0.0 10 40
9 A 10 ALA A G G > X TS+ 0 0 -101.4 -11.6 -178.3 86.2 83.6 61.4 6 -2.8 12 -2.1 0 0.0 13 -0.5 11 50
10 A 11 LEU L T g < < TS+ 0 0 -65.0 -24.9 167.2 69.1 74.3 41.2 7 -0.9 0 0.0 6 -0.6 0 0.0 10 37
11 A 12 PRO P T T 4 3 TS+ 0 0 -57.9 -11.4 -169.2 32.5 112.9 48.4 0 0.0 0 0.0 0 0.0 0 0.0 8 32
12 A 13 PHE F T T 4 < TS+ 0 0 -127.5 -10.9 -179.7 38.4 123.6 69.3 9 -2.1 0 0.0 0 0.0 0 0.0 6 37
13 A 14 MET M S t < TS- 0 0 -146.5 148.7 175.3 -121.2 72.2 172.3 9 -0.5 0 0.0 0 0.0 0 0.0 7 36
14 A 15 GLN Q h > > T - 0 0 -84.0 148.7 174.9 -122.3 26.5 136.9 0 0.0 17 -1.5 0 0.0 18 -0.5 8 26
15 A 16 GLU E H H > > TS+ 0 0 -55.6 -33.9 178.1 66.0 110.8 31.1 0 0.0 18 -1.4 0 0.0 19 -1.1 7 29
16 A 17 ASN N H H > 3 TS+ 0 0 -59.5 -31.9 178.9 71.6 83.6 42.4 0 0.0 20 -2.0 0 0.0 0 0.0 6 23
17 A 18 GLU E H H 4 < TS+ 0 0 -55.2 -30.4 179.5 49.3 99.3 30.5 14 -1.5 0 0.0 0 0.0 0 0.0 9 34
18 A 19 LEU L H H X X TS+ 0 0 -74.8 -46.1 172.7 55.7 105.8 21.7 15 -1.4 21 -1.6 14 -0.5 22 -0.6 14 43
19 A 20 ASP D H H < > TS+ 0 0 -47.8 -43.6 -176.9 63.3 98.2 31.4 15 -1.1 22 -1.1 0 0.0 0 0.0 8 31
20 A 21 TYR Y T h < 3 TS+ 0 0 -61.7 -17.6 -177.3 50.3 102.9 42.6 16 -2.0 0 0.0 0 0.0 0 0.0 7 27
21 A 22 LEU L T h > X TS+ 0 0 -97.8 -13.4 -177.9 97.6 79.4 51.6 18 -1.6 25 -2.4 0 0.0 24 -0.6 10 43
22 A 23 SER S H H X < TS+ 0 0 -40.9 -53.3 -173.9 48.3 83.9 35.8 19 -1.1 26 -2.5 18 -0.6 0 0.0 11 36
23 A 24 GLU E H H > 3 TS+ 0 0 -61.6 -37.9 -173.6 46.3 113.9 24.3 0 0.0 27 -1.5 0 0.0 0 0.0 7 30
24 A 25 PHE F H H > < TS+ 0 0 -77.0 -37.0 177.3 48.5 113.0 31.1 21 -0.6 28 -1.9 0 0.0 0 0.0 8 39
25 A 26 VAL V H H X TS+ 0 0 -70.6 -35.6 173.6 57.0 106.8 30.9 21 -2.4 29 -2.3 0 0.0 0 0.0 15 50
26 A 27 LYS K H H X TS+ 0 0 -57.6 -39.9 179.0 47.4 109.6 28.4 22 -2.5 30 -1.0 0 0.0 0 0.0 11 42
27 A 28 ALA A H H X TS+ 0 0 -68.5 -46.3 178.1 50.7 109.2 31.5 23 -1.5 31 -1.7 0 0.0 0 0.0 8 37
28 A 29 ALA A H H X TS+ 0 0 -65.5 -29.0 170.1 59.5 105.3 31.5 24 -1.9 32 -2.2 0 0.0 0 0.0 11 50
29 A 30 HIS H H H X TS+ 0 0 -59.5 -43.2 -178.3 46.7 106.6 30.0 25 -2.3 33 -1.9 0 0.0 0 0.0 10 55
30 A 31 HIS H H H X TS+ 0 0 -74.0 -35.8 171.1 55.2 107.9 34.3 26 -1.0 34 -3.7 0 0.0 0 0.0 11 36
31 A 32 MET M H H X >TS+ 0 0 -55.5 -53.4 -179.0 43.9 112.3 10.8 27 -1.7 36 -1.8 0 0.0 35 -1.3 11 42
32 A 33 LEU L H H < 5TS+ 0 0 -59.7 -40.9 -173.0 35.5 124.2 29.7 28 -2.2 0 0.0 0 0.0 0 0.0 14 52
33 A 34 HIS H H H < 5TS+ 0 0 -90.7 -34.6 172.7 40.3 122.2 29.7 29 -1.9 0 0.0 0 0.0 0 0.0 8 41
34 A 35 GLU E H H < 5TS- 0 0 -83.4 -8.0 -177.4 -119.5 110.1 60.4 30 -3.7 0 0.0 0 0.0 0 0.0 6 27
35 A 36 ARG R T h < 5T + 0 0 64.3 57.1 173.7 134.5 65.9 14.6 31 -1.3 0 0.0 0 0.0 0 0.0 10 32
36 A 37 LYS K t TS- 0 0 85.6 178.5 -178.3 -19.5 98.0 107.3 0 0.0 40 -1.1 0 0.0 0 0.0 7 33
38 A 39 PRO P T T 3 TS+ 0 0 -66.1 139.2 179.8 13.7 127.3 111.7 0 0.0 0 0.0 0 0.0 0 0.0 8 39
39 A 40 GLY G T g > TS+ 0 0 72.2 23.9 -177.1 145.4 75.1 47.1 0 0.0 42 -2.1 0 0.0 0 0.0 10 41
40 A 41 SER S G G X T + 0 0 -75.0 -4.9 167.3 72.6 60.8 52.7 37 -1.1 43 -0.7 0 0.0 0 0.0 11 36
41 A 42 ASP D G G 3 TS+ 0 0 -66.2 -28.6 -172.2 49.3 98.7 44.9 0 0.0 0 0.0 0 0.0 0 0.0 7 29
42 A 43 PHE F G G < TS+ 0 0 -114.1 51.4 -176.7 108.5 73.8 105.1 39 -2.1 0 0.0 0 0.0 0 0.0 11 43
43 A 44 LEU L g X T + 0 0 -111.1 16.2 -176.1 112.0 38.8 75.0 40 -0.7 46 -1.9 0 0.0 0 0.0 12 50
44 A 45 GLY G T T > 3 T + 0 0 -64.5 -24.1 -179.2 64.4 68.0 42.2 197 -2.6 48 -0.7 0 0.0 0 0.0 11 46
45 A 46 TRP W T T 4 3 TS+ 0 0 -72.5 -21.2 -177.1 78.6 83.5 48.4 0 0.0 0 0.0 0 0.0 0 0.0 10 63
46 A 47 VAL V T T 4 < TS+ 0 0 -58.2 -47.0 -179.6 13.7 113.3 23.6 43 -1.9 0 0.0 0 0.0 0 0.0 10 60
47 A 48 ASP D T h > > TS+ 0 0 -112.1 4.1 175.6 111.0 92.7 72.2 0 0.0 50 -2.3 0 0.0 51 -1.5 8 51
48 A 49 TRP W H H X 3 T + 0 0 -41.2 -45.4 -177.1 67.9 68.6 30.7 44 -0.7 52 -1.4 0 0.0 0 0.0 8 54
49 A 50 PRO P H H 4 3 TS+ 0 0 -56.0 -22.4 176.7 26.0 116.0 42.5 0 0.0 0 0.0 0 0.0 0 0.0 13 52
50 A 51 ILE I H H 4 < TS+ 0 0 -114.2 -0.5 -172.5 46.4 128.0 56.9 47 -2.3 0 0.0 0 0.0 0 0.0 7 35
51 A 52 ARG R H H < TS+ 0 0 -122.2 12.1 -157.4 126.8 72.0 69.4 47 -1.5 53 -1.0 0 0.0 0 0.0 6 33
52 A 53 TYR Y S h < TS- 0 0 -82.1 23.7 -179.8 -101.9 73.0 87.6 48 -1.4 0 0.0 0 0.0 0 0.0 8 44
53 A 54 ASP D h > T - 0 0 58.0 101.9 -169.4 -153.8 26.0 15.7 51 -1.0 57 -1.6 0 0.0 0 0.0 6 32
54 A 55 LYS K H H > TS+ 0 0 -85.2 -16.1 -179.6 62.9 88.0 42.2 0 0.0 58 -1.4 0 0.0 0 0.0 6 29
55 A 56 ASN N H H > TS+ 0 0 -76.3 -42.7 176.4 42.0 106.9 21.5 0 0.0 59 -1.6 0 0.0 0 0.0 6 23
56 A 57 GLU E H H > TS+ 0 0 -69.6 -35.2 179.8 63.2 107.1 27.3 0 0.0 60 -2.5 0 0.0 0 0.0 8 40
57 A 58 PHE F H H X TS+ 0 0 -57.9 -35.4 177.8 46.4 105.7 27.2 53 -1.6 61 -1.6 0 0.0 0 0.0 10 45
58 A 59 SER S H H X TS+ 0 0 -74.2 -39.5 176.8 52.9 109.2 25.6 54 -1.4 62 -1.9 0 0.0 0 0.0 8 31
59 A 60 ARG R H H X TS+ 0 0 -62.9 -36.7 171.9 55.5 106.4 33.9 55 -1.6 63 -2.7 0 0.0 0 0.0 8 34
60 A 61 ILE I H H X TS+ 0 0 -55.1 -51.2 -176.9 48.8 107.0 19.3 56 -2.5 64 -2.3 0 0.0 0 0.0 12 51
61 A 62 LYS K H H X TS+ 0 0 -66.0 -30.6 175.2 46.9 113.7 31.0 57 -1.6 65 -1.6 0 0.0 0 0.0 10 41
62 A 63 GLN Q H H X TS+ 0 0 -73.7 -47.0 178.2 51.5 110.0 23.1 58 -1.9 66 -2.7 0 0.0 0 0.0 8 37
63 A 64 ALA A H H X TS+ 0 0 -57.2 -37.3 -178.9 50.2 110.8 26.7 59 -2.7 67 -2.2 0 0.0 0 0.0 9 51
64 A 65 ALA A H H X TS+ 0 0 -72.6 -37.8 173.5 48.4 109.9 28.8 60 -2.3 68 -2.4 0 0.0 0 0.0 12 54
65 A 66 GLU E H H X TS+ 0 0 -60.4 -47.3 179.9 51.5 112.2 9.5 61 -1.6 69 -2.7 0 0.0 0 0.0 9 37
66 A 67 ARG R H H X TS+ 0 0 -55.3 -46.6 179.6 45.6 112.0 33.3 62 -2.7 70 -1.3 0 0.0 0 0.0 8 38
67 A 68 ILE I H H X TS+ 0 0 -65.4 -45.1 -176.9 51.6 111.0 26.1 63 -2.2 71 -1.2 0 0.0 0 0.0 12 48
68 A 69 ARG R H H < TS+ 0 0 -63.4 -37.7 178.3 46.8 112.7 24.4 64 -2.4 0 0.0 0 0.0 0 0.0 10 42
69 A 70 ASN N H H < TS+ 0 0 -66.7 -39.2 -166.8 32.1 123.0 39.1 65 -2.7 0 0.0 0 0.0 0 0.0 6 27
70 A 71 HIS H H H < TS+ 0 0 -111.1 8.4 -178.2 60.8 112.7 71.8 66 -1.3 0 0.0 0 0.0 0 0.0 8 34
71 A 72 SER S h < T - 0 0 -140.2 143.4 166.8 -163.5 47.1 173.6 67 -1.2 0 0.0 0 0.0 0 0.0 12 46
72 A 73 ASP D S e S+ 0 0 -81.8 -33.1 -173.9 23.6 88.6 38.8 130 -2.9 106 -2.9 0 0.0 0 0.0 11 40
73 A 74 ALA A E E Bbc - 106 131 -139.4 140.5 165.8 -152.8 60.8 164.9 130 -2.0 132 -1.9 0 0.0 0 0.0 13 53
74 A 75 LEU L E E Bbc - 107 132 -104.8 130.0 167.9 -156.2 13.3 168.8 106 -2.6 108 -2.7 0 0.0 76 -0.6 15 65
75 A 76 VAL V E E Bbc - 108 133 -102.7 115.4 173.9 -155.6 6.9 165.5 132 -2.2 134 -2.8 0 0.0 77 -0.6 12 70
76 A 77 VAL V E E Bbc - 109 134 -87.5 122.7 -178.8 -160.3 5.6 148.0 108 -2.8 110 -2.5 74 -0.6 78 -0.6 15 74
77 A 78 ILE I E E Bbc + 110 135 -110.6 112.8 -170.9 97.2 43.5 158.3 134 -3.8 136 -2.5 75 -0.6 0 0.0 17 67
78 A 79 GLY G e - 0 0 177.3 163.5 -177.1 -148.4 46.6 161.4 110 -2.0 0 0.0 76 -0.6 0 0.0 16 64
79 A 80 ILE I g > T + 0 0 -148.2 161.4 -179.0 8.3 64.6 154.8 0 0.0 82 -2.0 0 0.0 0 0.0 12 55
80 A 81 GLY G G G > > TS- 0 0 66.4 -130.6 179.3 -1.0 135.7 110.0 0 0.0 84 -2.4 0 0.0 83 -1.4 10 58
81 A 82 GLY G G G 4 3 TS+ 0 0 -67.0 -16.4 178.6 63.1 131.2 51.1 0 0.0 0 0.0 0 0.0 0 0.0 14 66
82 A 83 SER S G G 4 < TS+ 0 0 -89.4 15.4 -172.0 25.8 118.4 77.4 79 -2.0 0 0.0 0 0.0 0 0.0 17 69
83 A 84 TYR Y T h > < TS+ 0 0 -141.5 -57.6 -173.0 55.1 112.9 57.2 80 -1.4 87 -2.5 0 0.0 0 0.0 14 64
84 A 85 LEU L H H X TS+ 0 0 -62.8 -42.4 -177.2 52.9 105.7 33.0 80 -2.4 88 -2.6 0 0.0 0 0.0 13 57
85 A 86 GLY G H H > TS+ 0 0 -62.0 -50.8 -179.8 41.8 113.1 14.7 0 0.0 89 -2.0 0 0.0 0 0.0 15 68
86 A 87 ALA A H H > TS+ 0 0 -61.2 -49.6 -178.4 47.0 117.6 17.6 0 0.0 90 -2.8 0 0.0 0 0.0 14 70
87 A 88 ARG R H H X TS+ 0 0 -64.0 -35.6 175.0 54.8 109.1 26.5 83 -2.5 91 -2.5 0 0.0 0 0.0 9 67
88 A 89 ALA A H H X TS+ 0 0 -60.0 -43.0 -179.8 41.7 113.9 23.4 84 -2.6 92 -1.6 0 0.0 0 0.0 15 65
89 A 90 ALA A H H X TS+ 0 0 -70.6 -47.3 -175.2 50.3 114.0 19.6 85 -2.0 93 -1.8 0 0.0 0 0.0 13 69
90 A 91 ILE I H H X TS+ 0 0 -63.2 -41.1 180.0 43.5 114.8 21.1 86 -2.8 94 -2.5 0 0.0 0 0.0 11 60
91 A 92 GLU E H H < TS+ 0 0 -75.8 -29.5 177.5 50.2 113.8 32.2 87 -2.5 0 0.0 0 0.0 0 0.0 12 50
92 A 93 ALA A H H < TS+ 0 0 -75.7 -25.4 -172.1 30.2 123.6 39.7 88 -1.6 0 0.0 0 0.0 0 0.0 11 59
93 A 94 LEU L H H < TS+ 0 0 -115.0 -13.5 178.0 65.8 109.7 50.2 89 -1.8 0 0.0 0 0.0 0 0.0 11 53
94 A 95 SER S S h < TS- 0 0 -101.9 179.4 176.6 -66.8 94.2 115.1 90 -2.5 0 0.0 0 0.0 0 0.0 9 47
95 A 96 HIS H t > T - 0 0 -62.7 137.7 175.1 -124.2 42.6 113.7 0 0.0 98 -2.2 0 0.0 0 0.0 6 36
96 A 97 THR T T T 3 TS+ 0 0 -50.1 -31.1 -175.8 34.7 116.1 34.2 0 0.0 0 0.0 0 0.0 0 0.0 6 32
97 A 98 PHE F T g > > TS+ 0 0 -121.1 40.0 -175.7 147.4 78.5 105.8 0 0.0 100 -2.2 0 0.0 101 -0.5 6 23
98 A 99 HIS H G G 4 X T + 0 0 -42.4 -52.2 -173.2 52.2 69.6 29.1 95 -2.2 101 -1.7 0 0.0 0 0.0 9 33
99 A 100 ASN N G G 4 3 TS+ 0 0 -68.3 -13.7 -179.8 50.8 110.0 55.0 0 0.0 0 0.0 0 0.0 0 0.0 9 37
100 A 101 GLN Q G G 4 < TS+ 0 0 -103.4 -2.9 173.7 96.2 88.8 67.1 97 -2.2 0 0.0 0 0.0 0 0.0 5 22
101 A 102 MET M S g < < TS- 0 0 -84.4 148.6 -167.7 -136.9 73.1 132.8 98 -1.7 0 0.0 97 -0.5 0 0.0 7 19
102 A 103 ASN N S S S+ 0 0 -87.4 -19.6 -176.5 55.7 93.6 34.6 0 0.0 0 0.0 0 0.0 0 0.0 5 20
103 A 104 ASP D S S S+ 0 0 -82.5 -17.1 -162.6 89.7 92.5 45.3 0 0.0 0 0.0 0 0.0 0 0.0 4 23
104 A 105 THR T S S S- 0 0 -95.4 156.6 166.2 -119.2 75.7 109.0 0 0.0 106 -0.5 0 0.0 0 0.0 10 38
105 A 106 THR T - 0 0 -84.1 121.8 -177.5 -123.2 45.0 145.4 0 0.0 0 0.0 0 0.0 0 0.0 12 47
106 A 107 GLN Q E E Bb - 73 0 -67.5 147.7 176.2 -153.5 20.7 116.5 72 -2.9 74 -2.6 104 -0.5 0 0.0 10 52
107 A 108 ILE I E E Bb + 74 0 -125.8 120.7 178.5 173.9 17.0 172.9 0 0.0 0 0.0 0 0.0 0 0.0 11 62
108 A 109 TYR Y E E Bb - 75 0 -121.7 155.8 -179.9 -141.4 18.9 152.2 74 -2.7 76 -2.8 0 0.0 0 0.0 8 65
109 A 110 PHE F E E Bb + 76 0 -121.1 140.7 175.8 161.9 24.7 160.0 0 0.0 0 0.0 0 0.0 0 0.0 10 66
110 A 111 ALA A E E Bb + 77 0 -143.5 171.5 177.8 51.9 52.1 156.0 76 -2.5 78 -2.0 0 0.0 0 0.0 12 56
111 A 112 GLY G S S S+ 0 0 79.3 2.1 -177.9 105.7 77.4 60.2 0 0.0 0 0.0 0 0.0 0 0.0 14 51
112 A 113 GLN Q S S S+ 0 0 -98.0 6.6 176.1 19.2 86.4 69.9 0 0.0 0 0.0 0 0.0 0 0.0 12 47
113 A 114 ASN N S S S- 0 0 -156.9 174.9 175.9 -119.3 73.5 157.5 0 0.0 0 0.0 0 0.0 0 0.0 7 32
114 A 115 ILE I + 0 0 -116.9 50.3 -175.6 133.4 63.2 111.4 0 0.0 116 -0.6 0 0.0 0 0.0 6 31
115 A 116 SER S h > T - 0 0 -108.0 117.0 -177.6 -168.6 39.0 155.2 0 0.0 119 -1.9 0 0.0 0 0.0 6 25
116 A 117 SER S H H > TS+ 0 0 -72.5 -28.5 176.9 56.4 91.4 37.0 114 -0.6 120 -2.6 0 0.0 0 0.0 6 24
117 A 118 THR T H H > TS+ 0 0 -69.1 -42.1 174.0 47.6 107.4 25.5 0 0.0 121 -2.0 0 0.0 0 0.0 6 19
118 A 119 TYR Y H H > TS+ 0 0 -59.3 -51.9 -175.2 45.6 115.4 20.1 0 0.0 122 -1.4 0 0.0 0 0.0 7 26
119 A 120 ILE I H H X TS+ 0 0 -62.3 -48.6 179.1 49.0 112.2 25.4 115 -1.9 123 -2.4 0 0.0 0 0.0 9 35
120 A 121 SER S H H X TS+ 0 0 -61.4 -38.5 176.2 51.1 111.4 22.2 116 -2.6 124 -2.0 0 0.0 0 0.0 8 28
121 A 122 HIS H H H X TS+ 0 0 -65.2 -35.1 177.4 52.1 108.3 38.6 117 -2.0 125 -1.2 0 0.0 0 0.0 8 22
122 A 123 LEU L H H X TS+ 0 0 -67.4 -41.5 174.8 54.1 105.4 25.3 118 -1.4 126 -1.4 0 0.0 0 0.0 8 38
123 A 124 LEU L H H X TS+ 0 0 -58.7 -36.9 174.1 57.5 104.6 23.4 119 -2.4 127 -0.9 0 0.0 0 0.0 8 41
124 A 125 ASP D H H < > TS+ 0 0 -54.8 -49.2 -172.4 43.2 109.2 25.7 120 -2.0 127 -0.6 0 0.0 0 0.0 7 23
125 A 126 VAL V H H < 3 TS+ 0 0 -79.4 -14.7 -179.3 55.4 111.1 47.0 121 -1.2 0 0.0 0 0.0 0 0.0 6 28
126 A 127 LEU L H H < > TS+ 0 0 -91.6 -10.1 -174.2 121.9 78.7 53.4 122 -1.4 129 -1.5 0 0.0 0 0.0 8 34
127 A 128 GLU E T h < < TS+ 0 0 -63.8 133.5 -176.4 12.4 79.0 102.3 123 -0.9 0 0.0 124 -0.6 0 0.0 6 26
128 A 129 GLY G T T 3 TS+ 0 0 72.8 20.8 175.2 115.5 104.8 42.6 0 0.0 0 0.0 0 0.0 0 0.0 4 21
129 A 130 LYS K t < T - 0 0 -122.2 139.8 173.5 -125.7 66.9 159.6 126 -1.5 0 0.0 0 0.0 0 0.0 8 36
130 A 131 ASP D e - 0 0 -76.6 136.3 -175.4 -176.6 41.7 141.0 0 0.0 72 -2.9 0 0.0 73 -2.0 8 43
131 A 132 LEU L E E Bc - 73 0 -141.1 151.4 164.9 -153.7 29.1 155.3 0 0.0 0 0.0 0 0.0 0 0.0 11 57
132 A 133 SER S E E Bc - 74 0 -111.6 163.8 -175.4 -141.2 20.6 147.5 73 -1.9 75 -2.2 0 0.0 0 0.0 12 64
133 A 134 ILE I E E Bcd - 75 169 -127.6 127.5 170.7 -168.0 10.2 170.9 168 -2.4 170 -3.0 0 0.0 135 -0.5 12 73
134 A 135 ASN N E E Bcd - 76 170 -115.9 104.8 177.3 -172.0 10.3 160.3 75 -2.8 77 -3.8 0 0.0 0 0.0 12 77
135 A 136 VAL V E E Bcd - 77 171 -99.9 127.8 -169.1 -172.7 6.5 146.1 170 -2.1 172 -2.4 133 -0.5 0 0.0 13 76
136 A 137 ILE I E E B d + 0 172 -129.7 126.7 177.1 137.1 20.5 173.1 77 -2.5 0 0.0 0 0.0 0 0.0 15 77
137 A 138 SER S e - 0 0 -171.3 121.9 -178.6 -153.6 35.3 138.5 172 -2.0 0 0.0 0 0.0 0 0.0 14 66
138 A 139 LYS K S S S+ 0 0 -62.4 -57.6 -179.6 37.4 101.8 6.5 0 0.0 174 -1.1 0 0.0 0 0.0 10 53
139 A 140 SER S S S S- 0 0 -64.0 -31.3 -171.2 -138.1 97.5 39.7 0 0.0 0 0.0 0 0.0 0 0.0 11 43
140 A 141 GLY G S S S+ 0 0 85.4 -8.0 -174.1 73.0 89.5 72.4 0 0.0 0 0.0 0 0.0 0 0.0 14 48
141 A 142 THR T + 0 0 -121.5 -0.9 179.4 140.8 52.3 67.7 0 0.0 0 0.0 0 0.0 0 0.0 9 41
142 A 143 THR T h > T - 0 0 -50.2 123.6 -163.2 -134.5 51.6 108.4 0 0.0 146 -2.0 0 0.0 0 0.0 8 45
143 A 144 THR T H H > TS+ 0 0 -62.1 -43.4 -175.1 49.0 92.5 42.5 0 0.0 147 -2.3 0 0.0 0 0.0 6 41
144 A 145 GLU E H H > TS+ 0 0 -69.7 -45.5 171.0 42.3 115.5 15.9 0 0.0 148 -2.3 0 0.0 0 0.0 12 43
145 A 146 PRO P H H > TS+ 0 0 -60.5 -37.9 -173.5 54.5 113.6 27.7 0 0.0 149 -2.7 0 0.0 0 0.0 16 52
146 A 147 ALA A H H X TS+ 0 0 -68.8 -40.9 174.6 45.0 110.3 19.5 142 -2.0 150 -2.0 0 0.0 0 0.0 11 50
147 A 148 ILE I H H X TS+ 0 0 -66.3 -40.9 179.7 48.9 114.4 23.4 143 -2.3 151 -1.6 0 0.0 0 0.0 9 39
148 A 149 ALA A H H X TS+ 0 0 -67.5 -33.1 179.2 53.8 109.8 29.3 144 -2.3 152 -2.5 0 0.0 0 0.0 11 47
149 A 150 PHE F H H X TS+ 0 0 -70.2 -38.0 174.2 54.3 103.1 30.8 145 -2.7 153 -2.6 0 0.0 0 0.0 11 59
150 A 151 ARG R H H X TS+ 0 0 -57.4 -45.6 -176.9 45.6 112.7 18.5 146 -2.0 154 -1.9 0 0.0 0 0.0 8 44
151 A 152 ILE I H H X TS+ 0 0 -66.0 -46.0 -176.5 42.4 116.8 18.1 147 -1.6 155 -2.0 0 0.0 0 0.0 8 43
152 A 153 PHE F H H X TS+ 0 0 -74.3 -30.1 179.8 55.6 110.8 36.0 148 -2.5 156 -2.9 0 0.0 0 0.0 9 55
153 A 154 ARG R H H X TS+ 0 0 -66.7 -49.5 173.6 46.7 109.2 13.9 149 -2.6 157 -3.0 0 0.0 0 0.0 8 47
154 A 155 ASP D H H X TS+ 0 0 -52.0 -48.6 -179.7 49.1 114.5 20.2 150 -1.9 158 -2.5 0 0.0 0 0.0 8 31
155 A 156 TYR Y H H X TS+ 0 0 -59.6 -48.4 -179.2 45.2 113.3 24.7 151 -2.0 159 -1.6 0 0.0 0 0.0 8 39
156 A 157 MET M H H X TS+ 0 0 -63.6 -41.8 -173.8 49.0 113.7 26.4 152 -2.9 160 -2.8 0 0.0 0 0.0 11 43
157 A 158 GLU E H H X TS+ 0 0 -75.9 -24.4 172.1 49.3 112.0 32.4 153 -3.0 161 -1.3 0 0.0 0 0.0 12 28
158 A 159 LYS K H H < TS+ 0 0 -76.5 -34.2 -179.7 43.4 116.3 40.9 154 -2.5 0 0.0 0 0.0 0 0.0 8 27
159 A 160 LYS K H H < TS+ 0 0 -76.1 -46.5 -168.5 16.9 131.9 27.8 155 -1.6 0 0.0 0 0.0 0 0.0 7 28
160 A 161 TYR Y H H < TS- 0 0 -105.7 -10.9 -162.1 -109.8 105.0 54.8 156 -2.8 0 0.0 0 0.0 0 0.0 9 26
161 A 162 GLY G h X T - 0 0 77.0 158.5 -167.9 -78.2 46.1 87.4 157 -1.3 165 -2.1 0 0.0 0 0.0 9 21
162 A 163 LYS K H H > TS+ 0 0 -68.6 -30.2 -174.4 51.3 126.0 36.8 0 0.0 166 -1.5 0 0.0 0 0.0 9 26
163 A 164 GLU E H H 4 TS+ 0 0 -79.4 -38.1 174.7 42.4 113.0 33.1 0 0.0 0 0.0 0 0.0 0 0.0 8 24
164 A 165 GLU E H H > > TS+ 0 0 -71.4 -42.0 174.7 56.8 111.0 28.4 0 0.0 167 -1.4 0 0.0 168 -0.5 9 29
165 A 166 ALA A H H < > TS+ 0 0 -53.3 -38.9 178.1 63.4 98.1 25.1 161 -2.1 168 -2.1 0 0.0 0 0.0 12 42
166 A 167 ARG R T h < 3 TS+ 0 0 -57.7 -26.6 178.1 53.0 100.1 41.6 162 -1.5 0 0.0 0 0.0 0 0.0 10 42
167 A 168 LYS K T T 4 < TS+ 0 0 -80.6 -14.3 -170.7 49.8 109.5 51.5 164 -1.4 0 0.0 0 0.0 0 0.0 8 41
168 A 169 ARG R S e < < TS+ 0 0 -112.5 5.4 179.8 85.1 90.9 72.1 165 -2.1 133 -2.4 164 -0.5 0 0.0 10 54
169 A 170 ILE I E E Bd - 133 0 -115.5 123.9 179.7 -171.0 53.2 161.5 0 0.0 190 -0.8 0 0.0 0 0.0 12 64
170 A 171 TYR Y E E Bde - 134 190 -119.0 130.0 -173.8 -158.6 6.0 166.7 133 -3.0 135 -2.1 0 0.0 0 0.0 12 71
171 A 172 VAL V E E Bde - 135 191 -112.8 121.5 172.7 -170.5 7.3 162.3 190 -2.5 192 -2.0 0 0.0 173 -0.6 14 70
172 A 173 THR T E E Bde + 136 192 -111.7 114.4 -168.1 115.5 40.3 163.1 135 -2.4 137 -2.0 0 0.0 0 0.0 15 70
173 A 174 THR T E E B e - 0 193 -157.5 -172.6 174.4 -34.1 63.8 141.9 192 -2.5 194 -2.1 171 -0.6 0 0.0 17 62
174 A 175 ASP D - 0 0 -55.8 158.1 178.6 -120.7 53.4 107.8 138 -1.1 0 0.0 0 0.0 0 0.0 15 45
175 A 176 ARG R S S S- 0 0 -69.6 -29.5 -166.6 -3.2 99.5 36.8 0 0.0 0 0.0 0 0.0 0 0.0 10 35
176 A 177 THR T S S S+ 0 0 -137.2 -32.1 -164.5 72.1 114.8 49.8 0 0.0 0 0.0 0 0.0 0 0.0 5 28
177 A 178 LYS K + 0 0 -110.1 152.2 170.2 45.7 63.3 120.5 0 0.0 0 0.0 0 0.0 0 0.0 9 29
178 A 179 GLY G S h > TS- 0 0 112.9 160.4 176.9 -80.3 80.4 90.3 0 0.0 182 -1.9 0 0.0 0 0.0 12 32
179 A 180 ALA A H H > TS+ 0 0 -63.2 -30.2 -174.8 54.6 124.3 35.2 0 0.0 183 -2.2 0 0.0 0 0.0 9 35
180 A 181 LEU L H H > TS+ 0 0 -77.6 -42.2 171.6 47.6 106.8 28.3 0 0.0 184 -2.1 0 0.0 0 0.0 12 48
181 A 182 LYS K H H > TS+ 0 0 -59.4 -47.2 176.4 51.3 113.0 18.4 0 0.0 185 -2.9 0 0.0 0 0.0 15 39
182 A 183 LYS K H H X TS+ 0 0 -56.8 -46.6 178.4 44.9 112.0 24.2 178 -1.9 186 -1.9 0 0.0 0 0.0 9 31
183 A 184 LEU L H H X TS+ 0 0 -64.6 -40.7 -177.5 50.6 113.6 28.7 179 -2.2 187 -2.4 0 0.0 0 0.0 9 39
184 A 185 ALA A H H X >TS+ 0 0 -63.9 -41.0 -176.1 50.8 109.5 21.7 180 -2.1 188 -2.2 0 0.0 189 -1.2 12 43
185 A 186 ASP D H H < 5TS+ 0 0 -64.9 -36.2 -174.9 44.1 115.1 27.3 181 -2.9 0 0.0 0 0.0 0 0.0 8 27
186 A 187 GLN Q H H < 5TS+ 0 0 -76.5 -44.0 -174.5 33.2 122.3 34.2 182 -1.9 0 0.0 0 0.0 0 0.0 6 23
187 A 188 GLU E H H < 5TS- 0 0 -89.5 -18.3 -176.8 -121.1 106.1 55.7 183 -2.4 0 0.0 0 0.0 0 0.0 7 27
188 A 189 GLY G T h < 5T + 0 0 75.8 45.3 175.0 166.5 47.7 24.6 184 -2.2 0 0.0 0 0.0 0 0.0 8 27
189 A 190 TYR Y t T - 0 0 -52.8 144.4 -173.8 -121.2 19.1 109.2 0 0.0 198 -1.5 0 0.0 0 0.0 8 52
196 A 197 ASP D T T 3 TS+ 0 0 -55.7 -42.6 -172.2 47.3 108.2 26.9 0 0.0 0 0.0 0 0.0 0 0.0 9 40
197 A 198 ASN N T T 3 TS+ 0 0 -97.1 25.3 174.8 95.8 88.6 89.3 0 0.0 44 -2.6 0 0.0 199 -0.6 9 40
198 A 199 ILE I S t < TS- 0 0 -119.0 111.4 -170.2 -126.0 77.4 164.5 195 -1.5 0 0.0 0 0.0 0 0.0 12 54
199 A 200 GLY G - 0 0 -61.4 154.5 -171.1 -66.6 47.2 104.4 197 -0.6 201 -0.8 0 0.0 0 0.0 10 55
200 A 201 GLY G S S S+ 0 0 -54.4 77.7 153.7 29.4 117.6 95.1 0 0.0 0 0.0 0 0.0 0 0.0 8 56
201 A 202 ARG R + 0 0 -159.8 -64.1 -122.1 147.8 56.1 128.4 199 -0.8 0 0.0 0 0.0 0 0.0 10 70
202 A 203 TYR Y t > T - 0 0 -50.1 131.6 -156.8 -164.9 25.3 27.9 0 0.0 205 -1.1 0 0.0 0 0.0 13 76
203 A 204 SER S T T 3 TS+ 0 0 -84.1 -16.6 177.2 72.8 79.0 62.4 0 0.0 210 -0.9 0 0.0 0 0.0 13 76
204 A 205 VAL V T T 3 TS+ 0 0 -86.3 13.5 158.3 78.8 90.7 72.3 0 0.0 0 0.0 0 0.0 0 0.0 10 80
205 A 206 LEU L S t <>TS- 0 0 -83.0 -172.3 163.0 -97.6 109.7 112.5 202 -1.1 210 -1.5 0 0.0 0 0.0 10 71
206 A 207 THR T T T >TS+ 0 0 -69.4 -14.2 -156.4 111.0 98.4 40.4 193 -0.5 208 -1.8 0 0.0 211 -0.9 14 72
207 A 208 ALA A T T 5TS- 0 0 -84.8 84.7 -135.7 -55.5 109.0 109.2 0 0.0 0 0.0 0 0.0 0 0.0 17 73
208 A 209 VAL V T T 5TS+ 0 0 37.5 -152.0 -164.9 71.8 131.1 103.1 206 -1.8 0 0.0 0 0.0 0 0.0 17 71
209 A 210 GLY G T h > 5TS+ 0 0 59.6 -108.1 -152.5 35.0 104.1 136.3 0 0.0 213 -2.7 0 0.0 0 0.0 14 81
210 A 211 LEU L H H > TS+ 0 0 -59.6 -42.1 -179.7 54.4 114.6 22.9 0 0.0 216 -2.0 0 0.0 0 0.0 12 78
213 A 214 ILE I H H < >TS+ 0 0 -59.7 -38.6 -177.8 48.6 108.7 21.5 209 -2.7 218 -1.9 0 0.0 0 0.0 14 73
214 A 215 ALA A H H < >5TS+ 0 0 -73.9 -33.8 174.7 54.6 107.2 29.3 210 -2.6 217 -1.4 0 0.0 0 0.0 13 63
215 A 216 VAL V H H < 35TS+ 0 0 -63.3 -34.9 179.6 60.9 100.6 27.1 211 -1.9 0 0.0 0 0.0 0 0.0 13 60
216 A 217 ALA A T h < 35TS- 0 0 -70.9 -6.9 174.3 -106.6 125.8 54.7 212 -2.0 0 0.0 0 0.0 0 0.0 12 63
217 A 218 GLY G T T <5TS+ 0 0 97.9 11.6 -172.8 145.9 71.0 58.4 214 -1.4 0 0.0 0 0.0 0 0.0 7 49
218 A 219 LEU L t T + 0 0 -83.1 101.4 -172.7 179.5 33.8 132.2 0 0.0 223 -1.3 0 0.0 0 0.0 8 40
220 A 221 ILE I H H > TS+ 0 0 -82.6 -12.6 176.7 61.5 76.4 40.5 218 -1.1 224 -2.0 0 0.0 0 0.0 10 54
221 A 222 ASP D H H > TS+ 0 0 -71.7 -43.4 -177.7 47.6 105.8 17.3 0 0.0 225 -1.9 0 0.0 0 0.0 6 48
222 A 223 ARG R H H > TS+ 0 0 -64.9 -36.7 -178.7 54.1 109.0 31.9 0 0.0 226 -2.2 0 0.0 0 0.0 9 39
223 A 224 MET M H H X TS+ 0 0 -70.1 -39.7 167.7 47.6 109.4 28.8 219 -1.3 227 -2.1 0 0.0 0 0.0 14 56
224 A 225 MET M H H X TS+ 0 0 -63.3 -38.4 176.5 56.8 107.7 35.2 220 -2.0 228 -2.5 0 0.0 0 0.0 12 51
225 A 226 GLU E H H X TS+ 0 0 -56.9 -50.1 -179.8 45.9 109.4 20.3 221 -1.9 229 -1.8 0 0.0 0 0.0 11 38
226 A 227 GLY G H H X TS+ 0 0 -60.1 -46.5 177.1 49.6 112.1 21.4 222 -2.2 230 -2.3 0 0.0 0 0.0 14 45
227 A 228 ALA A H H X TS+ 0 0 -58.8 -42.6 -179.3 50.6 110.6 22.9 223 -2.1 231 -2.7 0 0.0 0 0.0 17 51
228 A 229 ALA A H H X TS+ 0 0 -66.8 -35.3 173.2 54.5 107.4 34.8 224 -2.5 232 -1.7 0 0.0 0 0.0 12 44
229 A 230 SER S H H X TS+ 0 0 -57.2 -53.5 -179.2 46.5 109.3 14.9 225 -1.8 233 -2.6 0 0.0 0 0.0 9 41
230 A 231 ALA A H H X TS+ 0 0 -60.9 -36.1 175.8 61.8 105.7 24.6 226 -2.3 234 -2.9 0 0.0 0 0.0 13 48
231 A 232 TYR Y H H < TS+ 0 0 -53.1 -46.1 -174.2 38.2 110.9 23.3 227 -2.7 0 0.0 0 0.0 0 0.0 13 48
232 A 233 HIS H H H < > TS+ 0 0 -77.9 -40.2 177.7 51.6 115.0 26.9 228 -1.7 235 -0.8 0 0.0 0 0.0 7 38
233 A 234 LYS K H H < 3 TS+ 0 0 -58.3 -42.5 -168.7 43.0 115.0 23.3 229 -2.6 0 0.0 0 0.0 0 0.0 8 41
234 A 235 TYR Y T h < 3 TS+ 0 0 -99.3 8.7 167.7 97.3 83.6 73.1 230 -2.9 236 -1.3 0 0.0 0 0.0 11 52
235 A 236 ASN N t < T + 0 0 -88.3 74.9 -168.3 114.9 60.4 131.2 232 -0.8 0 0.0 0 0.0 0 0.0 6 45
236 A 237 ASN N - 0 0 -155.5 113.6 -168.9 -152.8 58.6 164.0 234 -1.3 0 0.0 0 0.0 0 0.0 8 38
237 A 238 PRO P + 0 0 -71.6 -9.8 -167.0 99.5 68.6 52.1 0 0.0 239 -0.7 0 0.0 0 0.0 9 36
238 A 239 ASP D t > > T - 0 0 -93.7 111.2 -179.8 -160.4 57.7 133.1 0 0.0 242 -1.7 0 0.0 241 -1.3 9 35
239 A 240 LEU L T T 4 3 TS+ 0 0 -53.6 -37.7 -171.5 57.3 89.6 32.2 237 -0.7 0 0.0 0 0.0 0 0.0 14 47
240 A 241 LEU L T T 4 3 TS+ 0 0 -78.8 -18.0 171.7 32.0 116.8 52.7 0 0.0 0 0.0 0 0.0 0 0.0 9 38
241 A 242 THR T T T 4 < TS+ 0 0 -108.2 -7.9 -178.5 84.4 103.5 60.4 238 -1.3 243 -0.8 0 0.0 0 0.0 6 35
242 A 243 ASN N h X T - 0 0 -100.9 114.5 -174.8 -170.1 56.7 144.9 238 -1.7 246 -1.2 0 0.0 0 0.0 12 49
243 A 244 GLU E H H > TS+ 0 0 -76.7 -33.4 175.3 52.9 84.0 41.3 241 -0.8 247 -1.3 0 0.0 0 0.0 11 55
244 A 245 SER S H H > TS+ 0 0 -67.2 -34.0 178.2 51.4 110.8 28.3 0 0.0 248 -1.9 0 0.0 0 0.0 12 64
245 A 246 TYR Y H H > TS+ 0 0 -68.1 -33.4 177.5 56.5 104.6 35.8 0 0.0 249 -2.7 0 0.0 0 0.0 13 64
246 A 247 GLN Q H H X TS+ 0 0 -63.4 -40.8 177.5 50.4 106.0 37.4 242 -1.2 250 -2.7 0 0.0 0 0.0 12 65
247 A 248 TYR Y H H X TS+ 0 0 -60.8 -52.8 178.0 46.5 112.2 18.1 243 -1.3 251 -2.1 0 0.0 0 0.0 11 69
248 A 249 ALA A H H X TS+ 0 0 -53.1 -51.0 176.2 46.0 116.7 22.8 244 -1.9 252 -1.4 0 0.0 0 0.0 12 75
249 A 250 ALA A H H X TS+ 0 0 -56.1 -58.7 -171.9 47.4 111.8 19.8 245 -2.7 253 -2.2 0 0.0 0 0.0 13 68
250 A 251 VAL V H H X TS+ 0 0 -63.6 -32.0 -177.3 52.9 109.8 26.3 246 -2.7 254 -2.7 0 0.0 0 0.0 10 65
251 A 252 ARG R H H X TS+ 0 0 -76.2 -22.9 174.2 47.0 111.6 25.8 247 -2.1 255 -1.5 0 0.0 0 0.0 9 70
252 A 253 ASN N H H X TS+ 0 0 -81.3 -31.2 176.2 52.8 110.1 33.7 248 -1.4 256 -1.4 0 0.0 0 0.0 11 64
253 A 254 ILE I H H X TS+ 0 0 -67.0 -42.2 -179.1 46.9 111.0 19.4 249 -2.2 257 -0.9 0 0.0 0 0.0 10 53
254 A 255 LEU L H H < >TS+ 0 0 -71.6 -33.2 170.8 57.5 106.7 38.7 250 -2.7 259 -1.9 0 0.0 0 0.0 10 52
255 A 256 TYR Y H H < >5TS+ 0 0 -56.2 -44.2 -177.0 54.0 103.6 27.7 251 -1.5 258 -1.6 0 0.0 0 0.0 11 48
256 A 257 ARG R H H < 35TS+ 0 0 -68.9 -22.7 171.6 59.7 100.9 42.8 252 -1.4 0 0.0 0 0.0 0 0.0 7 36
257 A 258 LYS K T h < 35TS- 0 0 -80.2 -0.7 177.1 -92.1 131.2 75.0 253 -0.9 0 0.0 0 0.0 0 0.0 6 33
258 A 259 GLY G T T <5TS+ 0 0 103.1 10.5 177.5 150.6 72.8 54.4 255 -1.6 0 0.0 0 0.0 0 0.0 7 27
259 A 260 LYS K t TS- 0 0 -130.8 120.4 -178.2 -143.6 72.9 166.9 0 0.0 271 -2.4 0 0.0 0 0.0 8 51
269 A 270 PRO P G G > TS+ 0 0 -54.4 -22.6 -175.9 68.8 96.0 45.2 0 0.0 272 -1.5 0 0.0 0 0.0 8 43
270 A 271 SER S G G 3 TS+ 0 0 -74.0 -15.3 -175.4 61.7 91.2 50.7 0 0.0 0 0.0 0 0.0 0 0.0 9 44
271 A 272 LEU L G h > X TS+ 0 0 -95.3 6.3 176.6 104.7 70.6 59.4 268 -2.4 275 -1.4 0 0.0 274 -0.9 11 56
272 A 273 HIS H H H > < TS+ 0 0 -50.2 -44.1 -176.4 47.1 81.7 34.2 269 -1.5 276 -1.0 0 0.0 0 0.0 11 47
273 A 274 TYR Y H H > 3 TS+ 0 0 -82.6 -18.0 163.7 64.1 100.1 43.5 0 0.0 277 -2.2 0 0.0 0 0.0 13 50
274 A 275 VAL V H H > < TS+ 0 0 -59.7 -33.9 177.3 53.7 103.0 27.6 271 -0.9 278 -2.7 0 0.0 0 0.0 12 67
275 A 276 SER S H H X TS+ 0 0 -67.6 -40.5 176.7 48.7 106.8 28.6 271 -1.4 279 -2.3 0 0.0 0 0.0 12 53
276 A 277 GLU E H H X TS+ 0 0 -65.4 -45.5 173.9 48.8 112.3 23.5 272 -1.0 280 -1.8 0 0.0 0 0.0 11 49
277 A 278 TRP W H H X TS+ 0 0 -55.8 -45.7 -178.5 51.4 110.9 20.1 273 -2.2 281 -2.1 0 0.0 0 0.0 12 57
278 A 279 TRP W H H X TS+ 0 0 -63.4 -36.7 177.3 55.4 106.5 27.4 274 -2.7 282 -2.3 0 0.0 0 0.0 9 63
279 A 280 LYS K H H X TS+ 0 0 -63.8 -45.7 178.5 46.3 107.8 25.7 275 -2.3 283 -2.2 0 0.0 0 0.0 12 49
280 A 281 GLN Q H H X TS+ 0 0 -60.6 -45.3 -174.8 54.3 111.5 22.9 276 -1.8 284 -2.4 0 0.0 0 0.0 11 53
281 A 282 LEU L H H X TS+ 0 0 -56.1 -56.9 -176.5 25.3 121.8 13.4 277 -2.1 285 -1.6 0 0.0 0 0.0 10 62
282 A 283 PHE F H H X TS+ 0 0 -78.5 -40.3 -179.9 52.4 123.3 16.6 278 -2.3 286 -2.9 0 0.0 0 0.0 11 64
283 A 284 GLY G H H X TS+ 0 0 -61.9 -43.9 -178.8 37.9 116.7 25.4 279 -2.2 287 -1.8 0 0.0 0 0.0 12 53
284 A 285 GLU E H H < TS+ 0 0 -79.3 -28.7 -179.9 49.4 118.4 32.7 280 -2.4 0 0.0 0 0.0 0 0.0 12 49
285 A 286 SER S H H < TS+ 0 0 -72.5 -39.7 -166.5 20.5 127.5 22.1 281 -1.6 0 0.0 0 0.0 0 0.0 15 56
286 A 287 GLU E H H < TS+ 0 0 -111.8 -21.2 179.6 98.7 88.9 56.6 282 -2.9 288 -2.8 0 0.0 0 0.0 14 50
287 A 288 GLY G h < T + 0 0 -71.6 70.3 -170.7 117.7 68.2 114.0 283 -1.8 0 0.0 0 0.0 0 0.0 12 40
288 A 289 LYS K t > T + 0 0 -140.8 150.9 170.5 13.6 59.2 164.5 286 -2.8 291 -1.8 0 0.0 0 0.0 9 36
289 A 290 ASP D T T 3 TS- 0 0 54.4 37.2 -178.3 -61.3 126.6 32.7 0 0.0 0 0.0 0 0.0 0 0.0 5 26
290 A 291 GLN Q T T 3 TS+ 0 0 56.4 35.6 175.4 104.9 115.5 47.6 0 0.0 0 0.0 0 0.0 0 0.0 5 22
291 A 292 LYS K t < T + 0 0 -124.9 175.6 163.9 86.9 33.2 134.7 288 -1.8 0 0.0 0 0.0 0 0.0 7 37
292 A 293 GLY G - 0 0 113.5 138.2 166.9 -84.1 67.0 81.6 0 0.0 0 0.0 0 0.0 0 0.0 11 49
293 A 294 LEU L - 0 0 -58.6 136.3 176.9 -118.3 49.8 119.4 0 0.0 0 0.0 0 0.0 0 0.0 12 52
294 A 295 PHE F E E Af - 261 0 -84.7 120.4 -175.6 -135.4 27.0 138.5 260 -2.9 262 -2.6 0 0.0 0 0.0 9 44
295 A 296 PRO P E E Af + 262 0 -85.0 121.4 172.6 158.5 35.6 132.6 0 0.0 0 0.0 0 0.0 0 0.0 11 47
296 A 297 ALA A E E Af - 263 0 -126.2 169.1 177.0 -159.0 18.7 150.5 262 -2.8 264 -2.5 0 0.0 0 0.0 9 45
297 A 298 SER S E E Af - 264 0 -146.7 169.5 -172.7 -163.3 4.6 163.8 0 0.0 0 0.0 0 0.0 0 0.0 11 51
298 A 299 VAL V E E Af - 265 0 -158.3 136.9 -179.9 -135.6 16.5 170.2 264 -2.5 266 -1.3 0 0.0 300 -0.6 10 48
299 A 300 ASP D E E >Af T - 266 0 -105.2 118.7 -170.3 -113.8 41.1 161.1 0 0.0 303 -3.1 0 0.0 0 0.0 12 43
300 A 301 PHE F T e 4 TS+ 0 0 -110.1 133.3 37.3 7.4 81.8 133.6 266 -2.5 0 0.0 298 -0.6 0 0.0 11 48
301 A 302 THR T T g 4 > TS+ 0 0 -112.3 3.1 178.3 60.8 125.2 177.8 0 0.0 304 -1.8 0 0.0 0 0.0 8 41
302 A 303 THR T G G 4 > TS+ 0 0 -48.2 -53.9 -174.9 44.6 108.5 28.5 0 0.0 305 -1.3 0 0.0 0 0.0 7 26
303 A 304 ASP D G G X 3>TS+ 0 0 -87.9 6.9 156.7 78.6 90.9 66.2 299 -3.1 307 -1.8 0 0.0 308 -1.0 10 33
304 A 305 LEU L G G 4 <5TS+ 0 0 -70.1 -14.0 180.0 55.1 95.9 52.7 301 -1.8 0 0.0 0 0.0 0 0.0 9 36
305 A 306 HIS H T g 4 <5TS+ 0 0 -112.0 30.1 164.4 17.9 124.6 106.9 302 -1.3 0 0.0 0 0.0 0 0.0 8 19
306 A 307 SER S T T 4 5TS+ 0 0 -150.8 -46.3 -174.8 20.6 140.7 93.2 0 0.0 0 0.0 0 0.0 0 0.0 7 20
307 A 308 MET M T h X 5TS+ 0 0 -109.3 -8.7 -176.8 88.2 98.2 61.1 303 -1.8 311 -2.2 0 0.0 0 0.0 9 33
308 A 309 GLY G H H > TS+ 0 0 -59.9 -46.8 -176.2 43.9 110.3 25.5 0 0.0 313 -2.7 0 0.0 0 0.0 10 29
310 A 311 TYR Y H H > TS+ 0 0 -70.9 -41.7 -179.4 52.0 112.0 24.4 0 0.0 314 -2.9 0 0.0 0 0.0 8 32
311 A 312 VAL V H H < TS+ 0 0 -62.1 -33.9 -177.6 41.3 117.1 26.4 307 -2.2 0 0.0 0 0.0 0 0.0 10 45
312 A 313 GLN Q H H < TS+ 0 0 -78.1 -38.9 -166.1 7.4 137.5 23.7 308 -1.8 0 0.0 0 0.0 0 0.0 10 35
313 A 314 GLU E H H < TS+ 0 0 -134.6 8.0 -175.3 92.2 101.4 80.2 309 -2.7 0 0.0 0 0.0 0 0.0 8 26
314 A 315 GLY G S h < TS- 0 0 -92.8 -152.9 -176.1 -31.5 90.3 93.3 310 -2.9 0 0.0 0 0.0 0 0.0 7 27
315 A 316 ARG R - 0 0 -64.5 147.8 -177.4 -126.9 57.8 103.1 0 0.0 317 -1.1 0 0.0 0 0.0 6 27
316 A 317 ARG R S S S+ 0 0 -95.2 59.5 179.7 105.4 79.8 115.4 0 0.0 0 0.0 0 0.0 0 0.0 8 37
317 A 318 ASN N e + 0 0 -123.4 29.8 -171.8 101.4 57.2 87.1 315 -1.1 260 -2.7 0 0.0 261 -2.2 8 38
318 A 319 LEU L E E Ag - 261 0 -116.9 155.1 163.0 -164.0 47.3 146.7 0 0.0 0 0.0 0 0.0 0 0.0 13 51
319 A 320 ILE I E E Ag - 262 0 -124.6 146.1 169.0 -147.4 16.9 161.2 261 -1.9 263 -2.9 0 0.0 0 0.0 13 65
320 A 321 GLU E E E Agh - 263 374 -113.0 131.5 169.1 -171.7 10.6 166.8 373 -2.7 375 -3.3 0 0.0 322 -0.5 12 73
321 A 322 THR T E E Agh - 264 375 -117.8 119.5 -174.1 -155.3 14.7 168.0 263 -3.2 265 -2.4 0 0.0 0 0.0 12 75
322 A 323 VAL V E E Agh - 265 376 -102.2 127.2 169.2 -147.4 11.1 143.6 375 -3.0 377 -3.0 320 -0.5 324 -0.7 11 67
323 A 324 LEU L E E A h - 0 377 -86.3 114.1 -172.0 -171.3 27.3 150.0 265 -3.0 325 -0.5 0 0.0 0 0.0 12 66
324 A 325 HIS H E E A h - 0 378 -119.0 122.5 176.9 -164.2 15.0 161.6 377 -2.7 379 -3.1 322 -0.7 326 -0.6 10 58
325 A 326 VAL V E E A h - 0 379 -107.7 117.6 -173.6 -159.8 5.7 158.0 323 -0.5 0 0.0 0 0.0 0 0.0 10 54
326 A 327 LYS K E E A * S+ 0 0 -60.8 -52.1 -171.4 44.4 75.0 19.9 379 -2.8 0 0.0 324 -0.6 0 0.0 8 39
327 A 328 LYS K E E A h S- 0 381 -107.8 126.8 176.1 -142.4 75.2 150.8 380 -1.7 382 -0.5 0 0.0 0 0.0 7 34
328 A 329 PRO P - 0 0 -73.2 162.9 177.4 -133.1 14.0 106.1 0 0.0 0 0.0 0 0.0 0 0.0 9 37
329 A 330 GLN Q S S S+ 0 0 -90.4 -33.4 169.0 21.3 91.2 29.2 0 0.0 0 0.0 0 0.0 0 0.0 6 33
330 A 331 ILE I S S S- 0 0 -131.8 137.5 -178.8 -148.7 74.8 173.9 0 0.0 0 0.0 0 0.0 0 0.0 4 27
331 A 332 GLU E - 0 0 -101.4 142.4 165.7 -172.8 10.0 143.4 0 0.0 0 0.0 0 0.0 0 0.0 8 22
332 A 333 LEU L - 0 0 -125.9 144.9 -179.3 -145.7 14.9 174.1 0 0.0 352 -2.3 0 0.0 0 0.0 7 20
333 A 334 THR T B B A - 351 0 -112.8 139.7 -179.7 -120.6 16.5 149.1 0 0.0 0 0.0 0 0.0 0 0.0 9 23
334 A 335 ILE I - 0 0 -81.0 133.7 -172.2 -140.1 30.3 130.0 350 -3.0 349 -3.2 0 0.0 0 0.0 10 24
335 A 336 GLN Q - 0 0 -99.1 147.1 174.1 -105.4 17.8 126.6 0 0.0 0 0.0 0 0.0 0 0.0 7 24
336 A 337 GLU E - 0 0 -67.2 136.8 178.8 -142.4 30.8 120.2 0 0.0 0 0.0 0 0.0 0 0.0 8 20
337 A 338 ASP D - 0 0 -105.8 127.1 -173.8 -147.3 1.7 161.0 0 0.0 0 0.0 0 0.0 0 0.0 6 17
338 A 339 PRO P S S S+ 0 0 -63.5 -43.5 178.6 34.0 100.8 22.0 0 0.0 0 0.0 0 0.0 0 0.0 4 15
339 A 340 GLU E S S S- 0 0 -77.0 -35.6 -176.5 -165.5 87.3 38.9 0 0.0 0 0.0 0 0.0 0 0.0 4 12
340 A 341 ASN N t > T + 0 0 47.3 47.9 -179.2 157.5 25.3 41.5 0 0.0 343 -1.4 0 0.0 0 0.0 9 15
341 A 342 ILE I T T 3 T + 0 0 -69.1 -23.4 -177.4 57.8 69.5 42.2 0 0.0 0 0.0 0 0.0 0 0.0 5 13
342 A 343 ASP D T T 3 TS- 0 0 -84.0 -10.2 -179.1 -129.4 103.9 54.6 0 0.0 0 0.0 0 0.0 0 0.0 4 14
343 A 344 GLY G S t < TS+ 0 0 70.5 23.6 -171.1 123.1 72.1 49.2 340 -1.4 0 0.0 0 0.0 0 0.0 6 14
344 A 345 LEU L g > T + 0 0 -102.1 4.8 -175.2 103.3 29.8 69.7 0 0.0 347 -2.0 0 0.0 0 0.0 8 20
345 A 346 ASN N G G > T + 0 0 -65.6 -18.3 175.5 74.2 66.3 41.0 0 0.0 348 -1.4 0 0.0 0 0.0 9 20
346 A 347 PHE F G G 3 TS+ 0 0 -66.3 -9.1 177.2 51.3 99.1 53.0 0 0.0 0 0.0 0 0.0 0 0.0 5 22
347 A 348 LEU L G G X TS+ 0 0 -96.4 -20.1 -174.9 121.1 82.2 55.6 344 -2.0 350 -2.0 0 0.0 0 0.0 8 26
348 A 349 ALA A T g < TS+ 0 0 -55.2 132.0 179.3 26.8 72.9 102.6 345 -1.4 0 0.0 0 0.0 0 0.0 10 25
349 A 350 GLY G T T 3 TS+ 0 0 99.1 -13.2 175.2 108.5 97.6 75.0 334 -3.2 0 0.0 0 0.0 0 0.0 8 21
350 A 351 LYS K S t < TS- 0 0 -89.8 153.2 172.8 -119.0 70.7 129.4 347 -2.0 334 -3.0 0 0.0 0 0.0 10 24
351 A 352 THR T B h > A T - 333 0 -83.5 160.0 178.4 -114.2 24.2 123.5 0 0.0 355 -1.9 0 0.0 0 0.0 10 26
352 A 353 LEU L H H > TS+ 0 0 -61.5 -31.0 177.3 60.2 119.9 27.3 332 -2.3 356 -2.7 0 0.0 0 0.0 10 33
353 A 354 ASP D H H > TS+ 0 0 -59.6 -49.2 175.1 51.8 100.1 28.2 0 0.0 357 -2.7 0 0.0 0 0.0 10 35
354 A 355 GLU E H H > TS+ 0 0 -50.6 -49.6 -178.0 47.2 112.6 15.3 0 0.0 358 -2.1 0 0.0 0 0.0 8 31
355 A 356 VAL V H H X TS+ 0 0 -62.6 -40.9 179.5 48.5 112.2 25.2 351 -1.9 359 -1.7 0 0.0 0 0.0 10 34
356 A 357 ASN N H H X TS+ 0 0 -69.0 -30.9 177.9 54.1 109.8 33.2 352 -2.7 360 -1.7 0 0.0 0 0.0 9 41
357 A 358 LYS K H H X TS+ 0 0 -70.6 -38.4 179.4 46.9 109.1 27.7 353 -2.7 361 -2.3 0 0.0 0 0.0 8 37
358 A 359 LYS K H H X TS+ 0 0 -76.1 -29.8 170.3 52.6 109.6 42.0 354 -2.1 362 -2.4 0 0.0 0 0.0 8 30
359 A 360 ALA A H H X TS+ 0 0 -64.4 -38.0 -179.2 51.1 110.3 29.3 355 -1.7 363 -2.4 0 0.0 0 0.0 9 35
360 A 361 PHE F H H X TS+ 0 0 -64.4 -50.3 179.9 39.7 115.6 19.5 356 -1.7 364 -2.1 0 0.0 0 0.0 9 45
361 A 362 GLN Q H H X TS+ 0 0 -69.5 -44.8 172.3 50.1 115.7 24.1 357 -2.3 365 -2.2 0 0.0 0 0.0 8 38
362 A 363 GLY G H H X TS+ 0 0 -56.8 -42.4 177.2 47.5 113.4 23.5 358 -2.4 366 -2.0 0 0.0 0 0.0 8 28
363 A 364 THR T H H X TS+ 0 0 -66.2 -42.2 176.6 55.5 107.8 26.6 359 -2.4 367 -2.7 0 0.0 0 0.0 8 46
364 A 365 LEU L H H X TS+ 0 0 -55.2 -50.8 178.5 44.0 111.0 16.7 360 -2.1 368 -2.3 0 0.0 0 0.0 9 49
365 A 366 LEU L H H X TS+ 0 0 -63.0 -38.8 -178.3 51.8 113.4 25.8 361 -2.2 369 -2.4 0 0.0 0 0.0 8 34
366 A 367 ALA A H H X TS+ 0 0 -64.8 -45.1 -176.9 45.5 111.8 21.9 362 -2.0 370 -1.5 0 0.0 0 0.0 9 32
367 A 368 HIS H H H < >TS+ 0 0 -68.7 -43.8 171.1 52.1 110.6 24.7 363 -2.7 372 -2.3 0 0.0 0 0.0 13 48
368 A 369 VAL V H H < >5TS+ 0 0 -52.4 -50.8 174.6 50.6 109.7 14.3 364 -2.3 371 -2.4 0 0.0 0 0.0 13 42
369 A 370 ASP D H H < 35TS+ 0 0 -58.6 -30.1 173.8 55.5 107.3 36.6 365 -2.4 0 0.0 0 0.0 0 0.0 7 31
370 A 371 GLY G T h < 35TS- 0 0 -80.1 -5.7 175.2 -97.1 128.7 61.6 366 -1.5 0 0.0 0 0.0 0 0.0 8 29
371 A 372 GLY G T T <5TS+ 0 0 101.3 19.7 176.4 132.2 80.0 48.9 368 -2.4 0 0.0 0 0.0 0 0.0 7 40
372 A 373 VAL V t TS- 0 0 -149.6 175.6 -174.6 -86.9 74.3 148.1 381 -0.7 387 -2.2 0 0.0 0 0.0 7 47
384 A 385 GLU E H H > TS+ 0 0 -59.7 -28.1 -177.3 52.0 124.8 31.4 0 0.0 388 -1.8 0 0.0 0 0.0 13 55
385 A 386 TYR Y H H > TS+ 0 0 -74.5 -53.3 179.8 41.6 111.2 16.0 0 0.0 389 -2.2 0 0.0 0 0.0 13 41
386 A 387 THR T H H > TS+ 0 0 -67.9 -26.3 172.1 59.1 111.2 32.0 0 0.0 390 -2.9 0 0.0 0 0.0 16 52
387 A 388 PHE F H H X TS+ 0 0 -62.7 -48.3 171.5 48.0 106.5 18.0 383 -2.2 391 -2.3 0 0.0 0 0.0 13 67
388 A 389 GLY G H H X TS+ 0 0 -53.5 -46.5 178.8 50.2 111.8 24.9 384 -1.8 392 -1.9 0 0.0 0 0.0 15 65
389 A 390 GLU E H H X TS+ 0 0 -56.8 -52.8 -174.9 47.0 111.9 15.6 385 -2.2 393 -2.8 0 0.0 0 0.0 16 60
390 A 391 MET M H H X TS+ 0 0 -63.6 -36.7 177.4 54.5 108.2 36.9 386 -2.9 394 -2.0 0 0.0 0 0.0 11 69
391 A 392 VAL V H H X TS+ 0 0 -64.6 -42.2 -179.7 41.7 113.9 17.0 387 -2.3 395 -2.3 0 0.0 0 0.0 9 77
392 A 393 TYR Y H H X TS+ 0 0 -74.2 -37.8 174.4 58.5 109.6 23.9 388 -1.9 396 -2.6 0 0.0 0 0.0 11 70
393 A 394 PHE F H H X TS+ 0 0 -52.6 -41.8 -176.0 42.4 111.9 22.8 389 -2.8 397 -2.1 0 0.0 0 0.0 11 66
394 A 395 PHE F H H X TS+ 0 0 -80.1 -35.5 176.1 51.7 111.9 23.7 390 -2.0 398 -2.3 0 0.0 0 0.0 10 72
395 A 396 GLU E H H X TS+ 0 0 -64.0 -44.0 178.6 44.0 114.2 25.0 391 -2.3 399 -1.8 0 0.0 0 0.0 9 72
396 A 397 LYS K H H X TS+ 0 0 -65.1 -51.4 175.9 50.8 113.3 14.6 392 -2.6 400 -2.4 0 0.0 0 0.0 12 71
397 A 398 ALA A H H X TS+ 0 0 -50.4 -42.9 -178.2 50.8 110.6 31.7 393 -2.1 401 -2.7 0 0.0 0 0.0 12 71
398 A 399 CYS C H H X TS+ 0 0 -70.8 -33.7 177.3 50.7 108.1 29.4 394 -2.3 402 -2.0 0 0.0 0 0.0 13 65
399 A 400 GLY G H H X TS+ 0 0 -69.0 -43.0 177.9 43.8 114.5 24.4 395 -1.8 403 -1.1 0 0.0 0 0.0 11 74
400 A 401 ILE I H H X > TS+ 0 0 -64.2 -48.8 177.2 53.6 112.4 14.3 396 -2.4 404 -1.9 0 0.0 403 -0.8 14 67
401 A 402 SER S H H X 3 TS+ 0 0 -51.3 -43.2 -176.5 54.8 104.8 32.9 397 -2.7 405 -1.8 0 0.0 0 0.0 13 65
402 A 403 GLY G H H X 3>TS+ 0 0 -64.8 -34.9 -179.1 48.6 108.3 31.0 398 -2.0 407 -2.5 0 0.0 406 -0.9 13 63
403 A 404 HIS H H H < <5TS+ 0 0 -76.8 -31.5 174.3 52.2 108.8 32.3 399 -1.1 0 0.0 400 -0.8 0 0.0 11 58
404 A 405 LEU L H H < 5TS+ 0 0 -69.7 -32.6 175.5 51.8 109.1 34.2 400 -1.9 0 0.0 0 0.0 0 0.0 12 55
405 A 406 LEU L H H < 5TS- 0 0 -69.9 -29.7 -178.0 -117.4 115.2 42.3 401 -1.8 0 0.0 0 0.0 0 0.0 9 49
406 A 407 GLY G T h < 5TS+ 0 0 93.0 34.4 -173.4 126.5 71.6 40.8 402 -0.9 0 0.0 0 0.0 0 0.0 6 40
407 A 408 VAL V S t T - 0 0 -76.2 104.8 -169.2 -166.7 36.2 144.1 0 0.0 411 -0.9 0 0.0 0 0.0 11 41
409 A 410 PRO P T T 3 TS+ 0 0 -77.1 -0.7 -165.5 57.5 72.3 55.1 0 0.0 0 0.0 0 0.0 0 0.0 13 59
410 A 411 PHE F T T 3 TS+ 0 0 -121.3 9.5 177.5 63.0 92.7 73.0 0 0.0 0 0.0 0 0.0 0 0.0 11 53
411 A 412 ASP D t < T - 0 0 -124.1 -175.2 -177.5 -152.4 55.8 128.4 408 -0.9 0 0.0 0 0.0 0 0.0 9 42
412 A 413 GLN Q t > T + 0 0 -166.2 71.3 164.5 162.2 20.0 104.5 0 0.0 415 -0.6 0 0.0 0 0.0 7 37
413 A 414 PRO P T T 3 T + 0 0 -75.0 170.6 -175.9 55.4 68.0 103.2 0 0.0 0 0.0 0 0.0 0 0.0 6 27
414 A 415 GLY G T h > 3 TS+ 0 0 84.1 -29.1 159.5 82.2 90.4 85.6 0 0.0 418 -0.7 0 0.0 0 0.0 6 23
415 A 416 VAL V H H > < TS+ 0 0 -64.1 -27.5 -176.2 52.2 91.0 35.0 412 -0.6 419 -0.7 0 0.0 0 0.0 7 29
416 A 417 GLU E H H > TS+ 0 0 -87.8 -14.2 -178.1 74.3 91.2 36.8 0 0.0 420 -2.5 0 0.0 0 0.0 7 22
417 A 418 ALA A H H > TS+ 0 0 -65.7 -47.1 178.2 41.9 100.5 26.1 0 0.0 421 -1.4 0 0.0 0 0.0 8 18
418 A 419 TYR Y H H X TS+ 0 0 -66.9 -31.9 -173.7 57.4 112.1 27.9 414 -0.7 422 -3.1 0 0.0 0 0.0 8 22
419 A 420 LYS K H H X TS+ 0 0 -69.0 -40.9 179.7 48.1 105.7 23.5 415 -0.7 423 -2.9 0 0.0 0 0.0 8 27
420 A 421 LYS K H H X TS+ 0 0 -66.3 -37.6 178.4 46.1 114.9 30.0 416 -2.5 424 -1.5 0 0.0 0 0.0 9 29
421 A 422 ASN N H H X TS+ 0 0 -68.9 -45.3 179.9 49.9 113.4 19.8 417 -1.4 425 -2.4 0 0.0 0 0.0 11 30
422 A 423 MET M H H X TS+ 0 0 -59.2 -53.8 175.3 44.1 113.4 23.7 418 -3.1 426 -2.1 0 0.0 0 0.0 8 31
423 A 424 PHE F H H X >TS+ 0 0 -60.7 -32.0 179.4 58.9 109.6 33.4 419 -2.9 428 -2.5 0 0.0 427 -0.7 10 29
424 A 425 ALA A H H < >5TS+ 0 0 -63.5 -49.6 176.9 39.8 110.8 16.2 420 -1.5 427 -0.9 0 0.0 0 0.0 13 27
425 A 426 LEU L H H < 35TS+ 0 0 -66.4 -35.4 177.9 59.2 111.1 35.4 421 -2.4 0 0.0 0 0.0 0 0.0 11 25
426 A 427 LEU L H H < 35TS- 0 0 -69.3 -14.5 178.8 -114.8 116.1 53.6 422 -2.1 0 0.0 0 0.0 0 0.0 6 25
427 A 428 GLY G T h < <5T + 0 0 83.9 30.8 171.4 173.4 47.5 35.0 424 -0.9 0 0.0 423 -0.7 0 0.0 9 20
428 A 429 LYS K t > TS+ 0 0 123.7 -42.3 -172.0 83.3 92.5 106.7 0 0.0 432 -0.7 0 0.0 433 -0.5 6 18
431 A 432 PHE F T h > < T + 0 0 -92.0 39.7 -173.8 125.6 50.0 94.6 428 -1.3 435 -2.4 0 0.0 0 0.0 11 23
432 A 433 GLU E H H > 3 TS+ 0 0 -67.6 -38.0 -177.6 48.5 73.4 28.6 430 -0.7 436 -1.6 0 0.0 0 0.0 9 20
433 A 434 ASP D H H > < TS+ 0 0 -66.3 -46.3 -172.2 48.2 112.7 14.3 430 -0.5 437 -2.1 0 0.0 0 0.0 7 21
434 A 435 GLU E H H > TS+ 0 0 -69.3 -37.0 179.6 53.3 107.9 31.3 0 0.0 438 -2.6 0 0.0 0 0.0 10 26
435 A 436 LYS K H H X TS+ 0 0 -64.5 -44.8 -178.4 48.7 109.2 25.7 431 -2.4 439 -2.6 0 0.0 0 0.0 12 25
436 A 437 ALA A H H X TS+ 0 0 -59.1 -55.0 178.8 45.2 114.5 9.9 432 -1.6 440 -2.0 0 0.0 0 0.0 8 22
437 A 438 ALA A H H X TS+ 0 0 -53.1 -47.8 -177.1 46.6 115.4 29.2 433 -2.1 441 -0.9 0 0.0 0 0.0 8 20
438 A 439 LEU L H H X TS+ 0 0 -67.0 -41.4 173.1 58.3 107.0 30.2 434 -2.6 442 -1.2 0 0.0 0 0.0 10 23
439 A 440 MET M H H < > TS+ 0 0 -48.2 -49.5 -175.5 55.0 102.3 22.4 435 -2.6 442 -0.8 0 0.0 0 0.0 8 19
440 A 441 LYS K H H < 3 TS+ 0 0 -58.3 -30.8 -172.0 51.3 107.1 34.8 436 -2.0 0 0.0 0 0.0 0 0.0 6 13
441 A 442 ARG R H H < 3 T 0 0 -81.8 -31.6 -179.3 999.9 999.9 45.8 437 -0.9 0 0.0 0 0.0 0 0.0 5 13
442 A 443 LEU L h < < T 0 0 -93.5 999.9 999.9 999.9 999.9 31.7 438 -1.2 0 0.0 439 -0.8 0 0.0 4 12
1c7qA.pdb
1C7Q ISOMERASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEEE GGGTTTS HHHHHTTHHHHHHHHHHHHHT STTGGG TTTTHHHHS HHHHHHHHHHHHHHHHH SEEEEE GGGTHHHHHHHHHHS TTGGG Kabs/Sand
chirality +--++++++++--+++++++++++++++++++-++-++++++++++++++--+++++++++++++++++-+----+-+-+++++++++++++--+++++ chirality
bends SSSSSSS SSSSSSSSSSSSSSSSSSSS SSS SS SSS SSSS SSSSSSSSSSSSSSSSS S SSSSSSSSSSSSSSS SS SS bends
turns TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >>3X<3< >>33X<3< >3>X333< >>3<< >3>X3< 3-turns
bridge-2 ccccc bridge-2
bridge-1 AAAA bbbbb bridge-1
sheets AAAA BBBBB sheets
4-turns >44><44<>>>4X<<>X>>XXXXXXX<<<< >44>X44<<>>>>XXXXXXXXXXX<<<< >44>X>>XXXX<<<< >444 4-turns
summary eEEEEgGGGgTTthHHHHHhhHHHHHHHHHHHHHhttTgGGGgTTThHHHHhhHHHHHHHHHHHHHHHHHheEEEEEegGGGhHHHHHHHHHHhtTgGGG summary
sequence AISFDYSNALPFMQENELDYLSEFVKAAHHMLHERKGPGSDFLGWVDWPIRYDKNEFSRIKQAAERIRNHSDALVVIGIGGSYLGARAAIEALSHTFHNQ sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand SSSS EEEEESSS HHHHHHHHHHHTT EEEEEE SSS HHHHHHHHHHHHHHHHHH HHHHTTSEEEEE SS SHHHHHHHHHT EEEE TTS S Kabs/Sand
chirality -++---+-++++-+-+++++++++++++-------+-+-++-+++++++++++++++++--+++++++---+---++-++++++++-+-------++--+ chirality
bends SSSS SSS SSSSSSSSSSSSS SSS SSSSSSSSSSSSSSSSSS SSSSSSS SS SSSSSSSSSS SSS S bends
turns T TTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTT TTTT turns
5-turns >5555< 5-turns
3-turns < >3><3< >>3<< >33< 3-turns
bridge-2 dddd eeee bridge-2
bridge-1 bbbbb ccccc dddd eeee bridge-1
sheets BBBBB BBBBBB BBBBB BBBB sheets
4-turns < >>>>XXXXX<<<< >>>>XXXXXXXXXXXX<<4><<4< >>>>XXX<<<< 4-turns
summary gSSS EEEEESSS hHHHHHHHHHHHhTteEEEEEEeSSS hHHHHHHHHHHHHHHHHHHhHHHHhTeEEEEE SS hHHHHHHHHHhtEEEEetTTt S summary
sequence MNDTTQIYFAGQNISSTYISHLLDVLEGKDLSINVISKSGTTTEPAIAFRIFRDYMEKKYGKEEARKRIYVTTDRTKGALKKLADQEGYETFVIPDNIGG sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand TTSTTTTHHHHHHTT HHHHHHHHHHHHHHT TTT HHHHHHHHHHHHHHTT EEEEEESSGGGHHHHHHHHHHHHHHH TT EEEEEET Kabs/Sand
chirality +-++-+-++++++++-+-+++++++++++++++++-+-+++-++++++++++++++-+-+------+-++++++++++++++++++++-++---+----+ chirality
bends SSSSSSSSSSSSSSS SSSSSSSSSSSSSSS SSS SSSSSSSSSSSSSSSS SSSSSSSSSSSSSSSSSSSS SS S bends
turns TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTT TT turns
5-turns >>555<< >5555< >5555< 5-turns
3-turns >33< >33< >33< >33< >33< >>3X<3< >33< 3-turns
bridge-2 ggggg bridge-2
bridge-1 ffffff ffffff bridge-1
sheets AAAAAA AAAAAA sheets
4-turns >>>><<<< >>>>XXXXXXXX<<<< >444X>>>XXXXXXXX<<<< >>>>XXXXXXXXX<<<< >4 4-turns
summary tTTtTTThHHHHHHhTthHHHHHHHHHHHHHHht tTTThHHHHHHHHHHHHHHhTteEEEEEESgGGhHHHHHHHHHHHHHHHhtTTt EEEEEEe summary
sequence RYSVLTAVGLLPIAVAGLNIDRMMEGAASAYHKYNNPDLLTNESYQYAAVRNILYRKGKAIELLVNYEPSLHYVSEWWKQLFGESEGKDQKGLFPASVDF sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand TGGGTTTHHHHHHS S EEEEEEEEEE SS B SS TTS GGGTTSBHHHHHHHHHHHHHHHHHHTT EEEEEEEE SHHHHHHHHHHHHHHHHH Kabs/Sand
chirality +++++++++++++--++--------+--+--------+-++-+++++++--++++++++++++++++++-+----------+-+++++++++++++++++ chirality
bends SSSSSSSSSSSSSS S SS SS SS SS SSSSS SSSSSSSSSSSSSSSSSSSS S SSSSSSSSSSSSSSSSSS bends
turns TTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >>3<< >33<>>3X<3< >33< > 3-turns
bridge-2 hhhhhh*h hhhhhh*h bridge-2
bridge-1 ggggg A A AAAA bridge-1
sheets AAAAAAAAAA AAAAAAAA sheets
4-turns 44X444X>>><<<< >>>>XXXXXXXXXXXX<<<< >>>>XXXXXXXXXXXXXX 4-turns
summary gGGGgThHHHHHHh SeEEEEEEEEEE SS B SStTTtgGGGgTthHHHHHHHHHHHHHHHHHHhTteEEEEEEEEehHHHHHHHHHHHHHHHHH summary
sequence TTDLHSMGQYVQEGRRNLIETVLHVKKPQIELTIQEDPENIDGLNFLAGKTLDEVNKKAFQGTLLAHVDGGVPNLIVELDEMNEYTFGEMVYFFEKACGI sequence
310 320 330 340 350 360 370 380 390 400
author author
Kabs/Sand HHHHHTS TT TTHHHHHHHHHHHHT TTTHHHHHHHHHH Kabs/Sand
chirality ++++-+--++-++++++++++++++-+-++++++++++++ chirality
bends SSSSSSS SS SSSSSSSSSSSSS SS SSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns 33< >33<>33< >33<>3><3< >33< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns XX<<<< >>>>XXXXXX<<<< >>>>XXXX<<<< 4-turns
summary HHHHHhttTTttThHHHHHHHHHHHHhtTThHHHHHHHHHHh summary
sequence SGHLLGVNPFDQPGVEAYKKNMFALLGKPGFEDEKAALMKRL sequence
410 420 430 440