Secondary structure calculation program - copyright by David Keith Smith, 1989
1g5aA.pdb
1G5A TRANSFERASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 628
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 SER S 0 0 999.9 137.3 180.0 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 3 29
2 A 2 PRO P - 0 0 -70.1 152.7 179.7 -130.4 999.9 109.6 0 0.0 0 0.0 0 0.0 0 0.0 5 36
3 A 3 ASN N h > T - 0 0 -104.4 164.1 -178.6 -108.6 19.6 129.8 0 0.0 7 -2.4 0 0.0 0 0.0 7 32
4 A 4 A SER S H H > TS+ 0 0 -55.5 -47.0 -178.8 52.2 114.7 27.9 0 0.0 8 -2.3 0 0.0 0 0.0 10 40
5 A 5 GLN Q H H > TS+ 0 0 -58.9 -47.6 179.3 46.1 112.2 20.5 0 0.0 9 -1.5 0 0.0 0 0.0 7 31
6 A 6 TYR Y H H > TS+ 0 0 -60.7 -48.5 -179.0 50.0 112.2 21.2 0 0.0 10 -1.1 0 0.0 0 0.0 8 25
7 A 7 LEU L H H X TS+ 0 0 -61.5 -34.9 179.2 55.7 107.1 31.1 3 -2.4 11 -1.5 0 0.0 0 0.0 10 40
8 A 8 LYS K H H X TS+ 0 0 -67.2 -34.9 179.1 56.9 101.0 30.2 4 -2.3 12 -1.9 0 0.0 0 0.0 9 48
9 A 9 THR T H H < TS+ 0 0 -65.0 -29.6 179.6 47.8 109.2 32.9 5 -1.5 0 0.0 0 0.0 0 0.0 8 34
10 A 10 ARG R H H < > TS+ 0 0 -80.0 -30.1 177.5 58.9 104.0 36.1 6 -1.1 13 -0.7 0 0.0 0 0.0 8 34
11 A 11 A ILE I H H < > TS+ 0 0 -61.1 -43.3 -178.7 49.5 107.2 20.8 7 -1.5 14 -1.0 0 0.0 0 0.0 11 46
12 A 12 LEU L G h < > TS+ 0 0 -73.3 -9.6 -179.4 89.3 85.1 54.8 8 -1.9 15 -1.9 0 0.0 0 0.0 8 38
13 A 13 ASP D G G < TS+ 0 0 -65.3 -11.3 179.5 71.5 73.0 51.3 10 -0.7 0 0.0 0 0.0 0 0.0 8 27
14 A 14 ILE I G G < TS+ 0 0 -76.9 -15.1 -179.4 80.1 88.5 46.9 11 -1.0 0 0.0 0 0.0 0 0.0 6 25
15 A 15 TYR Y S g < TS- 0 0 -94.5 148.8 177.7 -117.2 84.8 129.9 12 -1.9 0 0.0 0 0.0 0 0.0 8 23
16 A 16 THR T h > T - 0 0 -72.3 163.8 179.8 -97.7 41.6 109.6 0 0.0 20 -3.2 0 0.0 0 0.0 7 15
17 A 17 PRO P H H > TS+ 0 0 -50.8 -42.1 -179.4 47.9 126.0 27.0 0 0.0 21 -1.7 0 0.0 0 0.0 6 16
18 A 18 GLU E H H > TS+ 0 0 -66.5 -47.0 180.0 43.6 114.5 22.4 0 0.0 22 -1.1 0 0.0 0 0.0 7 14
19 A 19 GLN Q H H > TS+ 0 0 -65.1 -42.5 -179.2 57.7 110.1 24.1 0 0.0 23 -2.3 0 0.0 0 0.0 8 17
20 A 20 ARG R H H X TS+ 0 0 -55.3 -43.8 -179.9 55.9 100.7 27.8 16 -3.2 24 -2.6 0 0.0 0 0.0 11 26
21 A 21 ALA A H H X TS+ 0 0 -58.3 -38.2 179.5 46.9 110.1 28.4 17 -1.7 25 -0.7 0 0.0 0 0.0 8 21
22 A 22 GLY G H H X > TS+ 0 0 -70.3 -44.7 180.0 51.0 110.3 22.6 18 -1.1 25 -0.8 0 0.0 26 -0.8 8 19
23 A 23 ILE I H H < > TS+ 0 0 -58.4 -46.7 -179.1 57.0 105.1 22.1 19 -2.3 26 -1.4 0 0.0 0 0.0 8 31
24 A 24 A GLU E H H < 3 TS+ 0 0 -58.8 -23.5 179.6 45.6 109.7 43.0 20 -2.6 0 0.0 0 0.0 0 0.0 8 30
25 A 25 LYS K H H < < TS+ 0 0 -95.9 -9.1 -178.4 110.1 91.6 57.0 22 -0.8 0 0.0 21 -0.7 0 0.0 8 22
26 A 26 SER S S h X < TS- 0 0 -70.3 151.0 179.7 -129.4 72.0 107.4 23 -1.4 30 -1.9 22 -0.8 0 0.0 8 24
27 A 27 GLU E H H > TS+ 0 0 -65.5 -39.5 179.8 55.8 107.5 29.2 0 0.0 31 -2.2 0 0.0 0 0.0 6 27
28 A 28 ASP D H H > TS+ 0 0 -61.8 -42.8 179.5 46.0 109.1 24.7 0 0.0 32 -2.5 0 0.0 0 0.0 8 40
29 A 29 TRP W H H > TS+ 0 0 -67.3 -38.3 179.3 55.9 109.4 26.7 0 0.0 33 -3.3 0 0.0 0 0.0 11 44
30 A 30 ARG R H H X TS+ 0 0 -58.2 -45.5 -179.9 42.1 112.2 22.8 26 -1.9 34 -1.9 0 0.0 0 0.0 10 32
31 A 31 GLN Q H H X TS+ 0 0 -68.5 -44.6 179.7 48.1 116.1 23.9 27 -2.2 35 -2.3 0 0.0 0 0.0 8 44
32 A 32 PHE F H H X TS+ 0 0 -62.2 -44.0 -179.6 50.6 111.9 23.5 28 -2.5 36 -2.2 0 0.0 0 0.0 12 51
33 A 33 A SER S H H X TS+ 0 0 -61.6 -42.9 179.1 49.2 110.3 26.0 29 -3.3 37 -2.1 0 0.0 0 0.0 9 45
34 A 34 ARG R H H X TS+ 0 0 -62.3 -48.6 -179.5 46.6 112.7 20.4 30 -1.9 38 -1.8 0 0.0 0 0.0 8 39
35 A 35 ARG R H H X TS+ 0 0 -64.6 -33.1 178.0 56.8 108.7 32.7 31 -2.3 39 -3.0 0 0.0 0 0.0 11 43
36 A 36 MET M H H X TS+ 0 0 -62.8 -48.8 -179.2 47.9 107.1 18.3 32 -2.2 40 -2.7 0 0.0 0 0.0 10 52
37 A 37 ASP D H H < TS+ 0 0 -60.6 -37.2 -179.1 42.2 117.9 27.5 33 -2.1 0 0.0 0 0.0 0 0.0 10 33
38 A 38 THR T H H < TS+ 0 0 -76.6 -42.9 -175.9 22.6 129.2 25.3 34 -1.8 0 0.0 0 0.0 0 0.0 7 32
39 A 39 HIS H H H X > TS+ 0 0 -104.1 -17.0 -179.4 81.8 99.2 49.9 35 -3.0 43 -1.6 0 0.0 42 -0.7 11 42
40 A 40 PHE F H H X 3 TS+ 0 0 -58.5 -40.5 179.9 62.9 85.4 27.5 36 -2.7 44 -2.8 0 0.0 0 0.0 12 47
41 A 41 PRO P H H > 3 TS+ 0 0 -52.1 -39.1 179.1 47.7 105.1 27.5 0 0.0 45 -2.3 0 0.0 0 0.0 10 37
42 A 42 LYS K H H > < TS+ 0 0 -66.9 -44.3 -179.5 50.4 110.9 23.1 39 -0.7 46 -2.7 0 0.0 0 0.0 10 38
43 A 43 LEU L H H X TS+ 0 0 -59.8 -45.6 -179.3 45.9 113.2 22.7 39 -1.6 47 -2.5 0 0.0 0 0.0 13 54
44 A 44 MET M H H X TS+ 0 0 -64.8 -45.2 -179.8 49.3 113.0 23.7 40 -2.8 48 -2.5 0 0.0 0 0.0 10 54
45 A 45 ASN N H H X TS+ 0 0 -62.2 -43.8 -179.8 46.7 113.1 23.8 41 -2.3 49 -1.9 0 0.0 0 0.0 8 40
46 A 46 GLU E H H X TS+ 0 0 -65.5 -46.3 179.5 46.2 114.4 20.3 42 -2.7 50 -1.0 0 0.0 0 0.0 12 44
47 A 47 LEU L H H X >TS+ 0 0 -64.3 -36.9 178.9 52.6 111.7 28.1 43 -2.5 51 -3.1 0 0.0 52 -0.5 13 54
48 A 48 ASP D H H X 5TS+ 0 0 -66.2 -36.8 -179.6 56.4 103.8 28.5 44 -2.5 52 -1.6 0 0.0 0 0.0 9 41
49 A 49 SER S H H < 5TS+ 0 0 -66.7 -23.2 -179.8 33.5 118.9 39.7 45 -1.9 0 0.0 0 0.0 0 0.0 9 34
50 A 50 VAL V H H < 5TS+ 0 0 -96.6 -50.8 -177.3 24.0 132.5 28.1 46 -1.0 0 0.0 0 0.0 0 0.0 9 44
51 A 51 TYR Y H H < >5TS+ 0 0 -93.6 -17.3 179.3 178.6 80.4 48.7 47 -3.1 54 -1.5 0 0.0 0 0.0 10 39
52 A 52 GLY G T h < 3 3 TS+ 0 0 -79.8 -12.9 -178.8 83.1 86.1 51.4 0 0.0 60 -2.5 0 0.0 0 0.0 8 32
57 A 57 LEU L H H > < TS+ 0 0 -56.2 -56.6 -179.3 42.8 92.3 18.1 54 -1.4 61 -2.9 0 0.0 0 0.0 12 37
58 A 58 LEU L H H > TS+ 0 0 -58.0 -51.4 179.8 45.2 117.5 20.5 0 0.0 62 -2.5 0 0.0 0 0.0 7 38
59 A 59 A PRO P H H > TS+ 0 0 -61.4 -38.6 179.4 48.4 115.4 25.6 0 0.0 63 -1.8 0 0.0 0 0.0 8 34
60 A 60 MET M H H X TS+ 0 0 -65.5 -45.1 -179.4 50.3 111.2 21.3 56 -2.5 64 -2.6 0 0.0 0 0.0 11 43
61 A 61 LEU L H H X TS+ 0 0 -61.0 -44.5 180.0 48.8 110.0 24.5 57 -2.9 65 -2.6 0 0.0 0 0.0 9 57
62 A 62 GLU E H H X TS+ 0 0 -65.0 -35.7 178.7 49.6 112.1 28.0 58 -2.5 66 -1.9 0 0.0 0 0.0 10 45
63 A 63 MET M H H X TS+ 0 0 -67.1 -42.5 179.8 49.1 111.7 23.3 59 -1.8 67 -2.0 0 0.0 0 0.0 9 42
64 A 64 LEU L H H X TS+ 0 0 -63.3 -43.0 -179.9 49.1 110.7 25.8 60 -2.6 68 -2.3 0 0.0 0 0.0 11 52
65 A 65 LEU L H H X TS+ 0 0 -66.4 -36.1 178.6 52.9 109.0 29.8 61 -2.6 69 -2.1 0 0.0 0 0.0 9 64
66 A 66 ALA A H H X TS+ 0 0 -64.0 -41.9 179.2 45.7 112.2 23.9 62 -1.9 70 -2.0 0 0.0 0 0.0 9 43
67 A 67 A GLN Q H H X TS+ 0 0 -67.4 -39.0 -180.0 55.6 109.3 29.3 63 -2.0 71 -2.7 0 0.0 0 0.0 9 46
68 A 68 ALA A H H X TS+ 0 0 -61.9 -40.8 179.5 49.1 107.5 26.4 64 -2.3 72 -2.6 0 0.0 0 0.0 12 58
69 A 69 TRP W H H X TS+ 0 0 -64.7 -48.3 179.8 46.6 112.4 18.1 65 -2.1 73 -2.9 0 0.0 0 0.0 11 59
70 A 70 GLN Q H H X TS+ 0 0 -60.1 -40.7 179.8 51.3 112.9 24.1 66 -2.0 74 -2.2 0 0.0 0 0.0 8 47
71 A 71 SER S H H X TS+ 0 0 -62.5 -46.6 -179.8 44.3 112.5 20.5 67 -2.7 75 -1.7 0 0.0 0 0.0 12 47
72 A 72 TYR Y H H < TS+ 0 0 -66.1 -39.6 179.3 53.9 111.1 25.9 68 -2.6 0 0.0 0 0.0 0 0.0 11 55
73 A 73 SER S H H < TS+ 0 0 -59.5 -40.3 -179.5 43.5 113.6 25.0 69 -2.9 0 0.0 0 0.0 0 0.0 8 45
74 A 74 GLN Q H H < TS+ 0 0 -75.9 -26.8 -178.7 117.5 86.9 42.3 70 -2.2 0 0.0 0 0.0 0 0.0 6 34
75 A 75 ARG R S h < TS- 0 0 -47.7 130.9 -179.3 -103.6 76.0 98.3 71 -1.7 0 0.0 0 0.0 0 0.0 9 42
76 A 76 ASN N h > > T - 0 0 -60.5 142.3 -179.3 -122.5 22.4 104.6 0 0.0 80 -1.8 0 0.0 79 -0.7 7 35
77 A 77 A SER S H H > 3 TS+ 0 0 -54.8 -37.7 179.8 56.8 110.8 34.1 0 0.0 81 -1.3 0 0.0 0 0.0 6 29
78 A 78 A SER S H H > 3 TS+ 0 0 -64.9 -35.7 179.5 47.8 107.9 29.3 0 0.0 82 -1.1 0 0.0 0 0.0 6 34
79 A 79 LEU L H H > < TS+ 0 0 -73.3 -31.9 178.9 58.4 106.3 33.2 76 -0.7 83 -2.0 0 0.0 0 0.0 11 48
80 A 80 LYS K H H X TS+ 0 0 -66.9 -28.4 178.3 54.0 102.6 35.9 76 -1.8 84 -1.7 0 0.0 0 0.0 11 42
81 A 81 ASP D H H X TS+ 0 0 -72.2 -35.9 178.9 48.9 108.1 29.8 77 -1.3 85 -2.2 0 0.0 0 0.0 8 33
82 A 82 A ILE I H H X TS+ 0 0 -69.9 -35.0 178.5 58.9 105.8 30.5 78 -1.1 86 -2.7 0 0.0 0 0.0 9 44
83 A 83 ASP D H H X TS+ 0 0 -56.6 -49.3 -179.6 42.0 110.2 18.9 79 -2.0 87 -1.9 0 0.0 0 0.0 12 48
84 A 84 ILE I H H X TS+ 0 0 -65.2 -42.4 180.0 55.5 111.7 25.6 80 -1.7 88 -1.4 0 0.0 0 0.0 10 35
85 A 85 ALA A H H < TS+ 0 0 -58.0 -46.5 -179.3 40.3 113.4 22.5 81 -2.2 0 0.0 0 0.0 0 0.0 9 25
86 A 86 ARG R H H < > TS+ 0 0 -76.0 -28.0 177.6 65.6 104.4 35.9 82 -2.7 89 -1.4 0 0.0 0 0.0 11 37
87 A 87 GLU E H H < 3 TS+ 0 0 -58.5 -35.3 -179.1 36.2 112.9 30.0 83 -1.9 0 0.0 0 0.0 0 0.0 9 39
88 A 88 A ASN N T h < 3 TS+ 0 0 -102.9 13.2 178.6 50.8 119.2 76.1 84 -1.4 0 0.0 0 0.0 0 0.0 6 23
89 A 89 ASN N g X T + 0 0 -146.4 64.2 -179.8 160.3 57.2 115.9 86 -1.4 92 -1.6 0 0.0 0 0.0 7 27
90 A 90 PRO P G G > TS+ 0 0 -60.2 -22.4 -178.8 61.4 72.8 43.8 0 0.0 93 -0.6 0 0.0 0 0.0 8 41
91 A 91 ASP D G G > T + 0 0 -93.8 18.5 179.3 109.1 63.8 78.0 0 0.0 94 -1.7 0 0.0 0 0.0 8 45
92 A 92 TRP W G G X TS+ 0 0 -60.2 -29.5 180.0 59.2 77.6 32.5 89 -1.6 95 -0.9 0 0.0 0 0.0 7 50
93 A 93 ILE I G G < TS+ 0 0 -71.6 -17.0 -178.6 54.0 101.6 49.3 90 -0.6 0 0.0 0 0.0 0 0.0 12 63
94 A 94 LEU L G G < TS+ 0 0 -97.9 -2.4 -179.4 118.4 79.9 63.9 91 -1.7 553 -1.7 0 0.0 0 0.0 15 60
95 A 95 SER S g X T - 0 0 -68.9 138.8 178.9 -136.0 66.0 113.9 92 -0.9 98 -1.7 0 0.0 0 0.0 11 49
96 A 96 ASN N T T 3 TS+ 0 0 -67.8 -12.7 179.2 76.3 100.0 49.7 0 0.0 0 0.0 0 0.0 0 0.0 16 49
97 A 97 LYS K T T 3 TS+ 0 0 -71.3 -15.6 -179.2 95.5 77.6 46.0 0 0.0 0 0.0 0 0.0 0 0.0 9 47
98 A 98 GLN Q t < T + 0 0 -84.0 132.8 177.1 158.0 41.6 127.8 95 -1.7 0 0.0 0 0.0 0 0.0 13 62
99 A 99 VAL V e - 0 0 -149.9 125.2 -178.5 -160.3 20.4 160.7 0 0.0 128 -2.8 0 0.0 129 -1.1 14 67
100 A 100 GLY G E E Aab - 129 483 -113.4 166.6 178.5 -164.0 9.9 132.3 482 -3.2 484 -2.9 0 0.0 0 0.0 13 72
101 A 101 GLY G E E Aab - 130 484 -140.2 156.5 178.7 -155.1 5.9 163.6 129 -1.9 131 -2.8 0 0.0 0 0.0 12 64
102 A 102 VAL V E E Aab + 131 485 -135.9 142.8 178.6 154.4 20.6 173.7 484 -1.9 486 -1.7 0 0.0 0 0.0 12 63
103 A 103 CYS C E E Aa - 132 0 -160.9 160.7 176.5 -108.0 43.3 172.5 131 -2.0 133 -2.0 0 0.0 0 0.0 12 60
104 A 104 TYR Y h > T - 0 0 -90.4 132.1 -179.7 -140.8 28.2 144.8 0 0.0 108 -2.6 0 0.0 0 0.0 10 59
105 A 105 VAL V H H > TS+ 0 0 -60.8 -45.2 -179.1 43.2 99.9 22.5 0 0.0 109 -2.2 0 0.0 0 0.0 14 55
106 A 106 ASP D H H > TS+ 0 0 -68.6 -44.4 -178.9 42.2 118.6 21.3 0 0.0 110 -1.4 0 0.0 0 0.0 9 45
107 A 107 LEU L H H 4 TS+ 0 0 -70.3 -39.9 -178.4 36.4 123.6 27.0 0 0.0 516 -2.4 0 0.0 0 0.0 11 46
108 A 108 PHE F H H < TS+ 0 0 -83.7 -35.7 -177.8 1.1 141.0 32.3 104 -2.6 0 0.0 0 0.0 0 0.0 10 51
109 A 109 ALA A H H < TS- 0 0 -140.1 13.4 179.5 -119.0 86.1 72.3 105 -2.2 111 -1.9 0 0.0 0 0.0 12 41
110 A 110 GLY G S h < TS- 0 0 83.4 -68.2 179.0 -4.6 82.4 115.1 106 -1.4 0 0.0 0 0.0 0 0.0 10 35
111 A 111 ASP D S h > TS- 0 0 -148.3 -179.3 -178.8 -81.0 84.9 151.6 109 -1.9 115 -2.4 0 0.0 0 0.0 11 39
112 A 112 LEU L H H > TS+ 0 0 -58.1 -38.3 179.0 50.9 126.4 31.5 159 -2.5 116 -1.9 0 0.0 0 0.0 14 44
113 A 113 LYS K H H > TS+ 0 0 -67.4 -36.6 179.0 48.9 111.7 26.9 0 0.0 117 -1.1 0 0.0 0 0.0 9 36
114 A 114 GLY G H H > TS+ 0 0 -68.4 -37.0 179.8 54.5 107.6 29.2 0 0.0 118 -0.5 0 0.0 0 0.0 9 37
115 A 115 LEU L H H < > TS+ 0 0 -62.6 -40.2 -179.6 57.5 102.6 26.3 111 -2.4 118 -1.5 0 0.0 0 0.0 13 50
116 A 116 LYS K H H < > TS+ 0 0 -59.5 -35.0 179.5 54.9 102.4 30.9 112 -1.9 119 -1.0 0 0.0 0 0.0 10 45
117 A 117 ASP D H H < 3 TS+ 0 0 -73.9 -12.6 179.5 58.7 102.1 51.3 113 -1.1 0 0.0 0 0.0 0 0.0 7 30
118 A 118 A LYS K T h X X TS+ 0 0 -92.2 -7.5 -179.1 92.7 78.1 58.6 115 -1.5 122 -1.8 114 -0.5 121 -0.8 9 49
119 A 119 ILE I H H > < TS+ 0 0 -56.1 -38.7 179.4 58.7 78.5 29.9 116 -1.0 123 -2.1 0 0.0 0 0.0 11 45
120 A 120 PRO P H H > 3 TS+ 0 0 -60.2 -34.3 178.6 50.6 105.9 27.3 0 0.0 124 -2.1 0 0.0 0 0.0 7 30
121 A 121 TYR Y H H > < TS+ 0 0 -67.4 -41.5 179.5 53.9 106.2 24.7 118 -0.8 125 -2.7 0 0.0 0 0.0 7 43
122 A 122 PHE F H H X >TS+ 0 0 -60.7 -34.8 178.5 47.3 110.5 28.5 118 -1.8 127 -2.2 0 0.0 126 -1.2 9 55
123 A 123 GLN Q H H < 5TS+ 0 0 -71.4 -37.7 179.0 54.3 109.2 28.3 119 -2.1 0 0.0 0 0.0 0 0.0 10 38
124 A 124 GLU E H H < 5TS+ 0 0 -59.8 -44.1 -179.4 46.4 110.3 24.0 120 -2.1 0 0.0 0 0.0 0 0.0 7 38
125 A 125 LEU L H H < 5TS- 0 0 -70.7 -27.1 179.3 -115.7 117.6 39.9 121 -2.7 0 0.0 0 0.0 0 0.0 7 52
126 A 126 GLY G T h < 5T + 0 0 102.0 15.2 -179.4 164.8 52.5 53.1 122 -1.2 0 0.0 0 0.0 0 0.0 10 46
127 A 127 LEU L t TS- 0 0 -141.7 19.4 -178.4 -99.7 77.1 83.3 141 -0.5 148 -1.5 0 0.0 0 0.0 13 44
144 A 144 ASP D T T >5TS- 0 0 56.6 46.8 179.5 -52.5 86.1 21.0 0 0.0 147 -1.5 0 0.0 0 0.0 7 55
145 A 145 GLY G T T 35TS- 0 0 58.5 37.6 179.5 -45.0 111.7 31.5 0 0.0 0 0.0 0 0.0 0 0.0 7 57
146 A 146 GLY G T T 35TS+ 0 0 90.6 -6.4 -179.6 114.8 112.3 70.3 0 0.0 0 0.0 0 0.0 0 0.0 13 57
147 A 147 TYR Y T T <5T + 0 0 -77.7 0.7 175.8 77.7 59.4 62.8 144 -1.5 149 -0.8 0 0.0 0 0.0 9 57
148 A 148 ALA A S t > T - 0 0 -57.3 116.0 -179.5 -137.4 36.7 116.2 135 -2.9 159 -2.5 0 0.0 160 -1.4 11 44
157 A 157 PRO P T T 4 3 TS+ 0 0 -52.5 -23.5 179.6 63.7 100.8 44.4 0 0.0 0 0.0 0 0.0 0 0.0 7 32
158 A 158 ALA A T T 4 3 TS+ 0 0 -73.5 -21.3 -179.4 41.9 108.6 41.7 0 0.0 0 0.0 0 0.0 0 0.0 5 35
159 A 159 LEU L T T 4 < TS- 0 0 -94.8 -28.3 -179.8 -105.8 119.4 42.7 156 -2.5 112 -2.5 0 0.0 0 0.0 12 40
160 A 160 GLY G t < T - 0 0 139.3 -154.5 -179.3 -44.4 45.5 165.3 156 -1.4 0 0.0 0 0.0 0 0.0 12 33
161 A 161 THR T h > T - 0 0 -112.7 170.2 179.2 -104.3 49.1 129.4 0 0.0 165 -1.7 0 0.0 0 0.0 10 32
162 A 162 ILE I H H > TS+ 0 0 -62.5 -28.5 179.0 58.7 123.8 34.8 0 0.0 166 -1.8 0 0.0 0 0.0 9 36
163 A 163 GLY G H H > TS+ 0 0 -66.7 -41.2 179.3 50.8 102.6 25.1 0 0.0 167 -2.0 0 0.0 0 0.0 6 30
164 A 164 ASP D H H > TS+ 0 0 -63.6 -35.9 179.8 53.9 108.0 29.9 0 0.0 168 -2.1 0 0.0 0 0.0 10 36
165 A 165 LEU L H H X TS+ 0 0 -65.8 -39.0 178.9 51.4 106.5 27.4 161 -1.7 169 -2.4 0 0.0 0 0.0 10 55
166 A 166 ARG R H H X TS+ 0 0 -63.5 -41.9 179.6 49.8 109.8 25.7 162 -1.8 170 -2.4 0 0.0 0 0.0 10 45
167 A 167 GLU E H H X TS+ 0 0 -63.8 -40.4 179.6 51.2 110.1 27.0 163 -2.0 171 -2.4 0 0.0 0 0.0 8 34
168 A 168 VAL V H H X TS+ 0 0 -62.7 -48.0 -179.7 46.6 111.1 20.4 164 -2.1 172 -2.3 0 0.0 0 0.0 12 52
169 A 169 ILE I H H X TS+ 0 0 -61.8 -41.5 179.3 50.0 112.9 24.7 165 -2.4 173 -2.4 0 0.0 0 0.0 12 56
170 A 170 ALA A H H X TS+ 0 0 -63.2 -41.5 -179.9 48.5 111.6 25.4 166 -2.4 174 -2.0 0 0.0 0 0.0 9 41
171 A 171 ALA A H H X TS+ 0 0 -68.2 -34.5 179.1 51.8 109.9 32.7 167 -2.4 175 -1.3 0 0.0 0 0.0 10 40
172 A 172 LEU L H H < >TS+ 0 0 -66.8 -46.3 179.6 48.4 110.3 19.9 168 -2.3 177 -2.7 0 0.0 0 0.0 13 49
173 A 173 HIS H H H < >5TS+ 0 0 -60.3 -40.1 179.3 54.8 108.0 27.8 169 -2.4 176 -1.6 0 0.0 0 0.0 10 45
174 A 174 GLU E H H < 35TS+ 0 0 -62.8 -31.7 -179.8 49.8 108.5 33.6 170 -2.0 0 0.0 0 0.0 0 0.0 7 30
175 A 175 ALA A T h < 35TS- 0 0 -89.9 8.5 179.6 -104.2 123.9 72.7 171 -1.3 0 0.0 0 0.0 0 0.0 8 31
176 A 176 GLY G T T <5TS+ 0 0 74.2 31.6 -179.3 132.5 78.8 35.2 173 -1.6 0 0.0 0 0.0 0 0.0 7 40
177 A 177 ILE I t T - 254 0 -76.7 165.7 179.5 -113.0 38.2 112.0 149 -2.9 192 -1.2 0 0.0 0 0.0 15 56
190 A 190 ASN N T e 3 TS+ 0 0 -78.4 -0.6 179.6 60.2 117.0 60.7 253 -1.4 0 0.0 0 0.0 0 0.0 11 56
191 A 191 GLU E T T 3 TS+ 0 0 -105.0 1.0 178.9 116.8 76.5 67.4 0 0.0 0 0.0 0 0.0 0 0.0 8 43
192 A 192 HIS H S h > < TS- 0 0 -69.0 143.3 -179.9 -120.1 76.2 115.7 189 -1.2 196 -2.3 0 0.0 0 0.0 11 46
193 A 193 GLU E H H > TS+ 0 0 -52.5 -40.5 -179.4 55.3 112.8 31.0 150 -0.6 197 -2.7 0 0.0 0 0.0 8 39
194 A 194 TRP W H H > TS+ 0 0 -61.6 -41.0 -179.8 47.1 109.2 27.0 0 0.0 198 -2.3 0 0.0 0 0.0 8 49
195 A 195 ALA A H H > TS+ 0 0 -66.4 -46.5 179.5 48.4 112.7 23.0 0 0.0 199 -2.5 0 0.0 0 0.0 14 51
196 A 196 GLN Q H H X TS+ 0 0 -60.2 -47.0 -179.4 44.2 115.8 21.1 192 -2.3 200 -1.6 0 0.0 0 0.0 10 39
197 A 197 ARG R H H < >TS+ 0 0 -69.0 -36.1 178.9 50.3 113.0 31.0 193 -2.7 202 -2.4 0 0.0 0 0.0 10 28
198 A 198 CYS C H H < >5TS+ 0 0 -65.9 -49.5 -179.6 45.7 113.4 15.3 194 -2.3 201 -1.4 0 0.0 0 0.0 15 40
199 A 199 ALA A H H < 35TS+ 0 0 -62.5 -30.2 -179.7 57.9 108.2 37.1 195 -2.5 0 0.0 0 0.0 0 0.0 8 42
200 A 200 ALA A T h < 35TS- 0 0 -77.7 -10.3 179.4 -108.3 119.5 54.8 196 -1.6 0 0.0 0 0.0 0 0.0 6 30
201 A 201 GLY G T T <5T + 0 0 93.4 14.4 179.1 165.8 56.5 50.5 198 -1.4 0 0.0 0 0.0 0 0.0 8 24
202 A 202 ASP D g > TS+ 0 0 -55.1 -33.6 -179.5 64.8 96.6 35.1 0 0.0 206 -1.5 0 0.0 0 0.0 6 19
204 A 204 LEU L G G 3 TS+ 0 0 -63.8 -22.6 -179.9 38.5 109.7 42.2 0 0.0 0 0.0 0 0.0 0 0.0 5 25
205 A 205 PHE F G G X TS+ 0 0 -117.4 26.8 178.9 146.3 82.7 87.0 202 -1.7 208 -1.2 0 0.0 0 0.0 10 35
206 A 206 ASP D T g < TS+ 0 0 -64.3 136.7 178.2 5.3 73.3 112.2 203 -1.5 0 0.0 0 0.0 0 0.0 8 32
207 A 207 ASN N T T 3 TS+ 0 0 58.7 35.7 178.0 130.9 83.8 35.6 0 0.0 0 0.0 0 0.0 0 0.0 8 39
208 A 208 PHE F S t < TS+ 0 0 -88.3 -15.6 179.0 20.1 77.9 51.4 205 -1.2 258 -2.7 0 0.0 0 0.0 14 49
209 A 209 TYR Y B B B S- 257 0 -137.3 -178.4 179.4 -95.4 92.3 138.9 0 0.0 211 -0.7 0 0.0 0 0.0 12 60
210 A 210 TYR Y e + 0 0 -110.0 100.0 -178.9 168.3 49.1 152.0 256 -0.6 247 -2.1 0 0.0 0 0.0 10 59
211 A 211 ILE I E E CF - 246 0 -118.0 132.6 -178.2 -170.0 11.1 161.3 209 -0.7 0 0.0 0 0.0 0 0.0 9 51
212 A 212 PHE F E E CF - 245 0 -121.3 152.1 -179.6 -132.5 27.4 151.1 245 -3.2 245 -2.6 0 0.0 0 0.0 10 38
213 A 213 PRO P S S S- 0 0 -72.7 -27.2 -178.8 -15.5 84.7 40.2 0 0.0 0 0.0 0 0.0 0 0.0 7 26
214 A 214 ASP D S S S- 0 0 -156.7 -167.2 -178.9 -71.8 85.8 146.0 0 0.0 0 0.0 0 0.0 0 0.0 9 24
215 A 215 ARG R S h > TS+ 0 0 -82.2 -0.4 -178.5 99.6 94.2 64.3 0 0.0 219 -2.9 0 0.0 0 0.0 8 27
216 A 216 ARG R H H > TS+ 0 0 -52.0 -59.5 179.9 26.3 95.5 18.2 0 0.0 220 -1.3 0 0.0 0 0.0 6 25
217 A 217 A MET M H H > TS+ 0 0 -73.0 -42.9 179.4 57.3 119.6 23.6 0 0.0 221 -2.9 0 0.0 0 0.0 8 31
218 A 218 PRO P H H > TS+ 0 0 -54.0 -41.3 179.7 50.0 107.3 24.8 0 0.0 222 -2.6 0 0.0 0 0.0 12 41
219 A 219 ASP D H H < TS+ 0 0 -63.4 -40.6 179.5 49.0 111.2 27.4 215 -2.9 0 0.0 0 0.0 0 0.0 8 35
220 A 220 GLN Q H H < > TS+ 0 0 -65.1 -45.4 179.6 46.4 113.0 21.8 216 -1.3 223 -1.1 0 0.0 0 0.0 9 28
221 A 221 TYR Y H H X > TS+ 0 0 -63.0 -42.1 -178.9 62.8 104.3 25.2 217 -2.9 224 -2.0 0 0.0 225 -0.6 10 36
222 A 222 ASP D T h < 3 TS+ 0 0 -61.1 -12.9 178.8 79.5 82.6 52.8 218 -2.6 0 0.0 0 0.0 0 0.0 9 39
223 A 223 ARG R T T 4 < TS+ 0 0 -65.1 -25.2 -178.2 20.9 112.1 38.0 220 -1.1 0 0.0 0 0.0 0 0.0 7 26
224 A 224 THR T T T 4 < TS+ 0 0 -125.5 4.6 -179.5 112.6 96.9 68.5 221 -2.0 0 0.0 0 0.0 0 0.0 8 30
225 A 225 LEU L t < T - 0 0 -87.3 139.5 178.3 -135.8 57.1 128.9 221 -0.6 0 0.0 0 0.0 0 0.0 11 42
226 A 226 ARG R - 0 0 -88.9 139.2 180.0 -125.2 20.9 134.5 0 0.0 228 -0.6 0 0.0 0 0.0 7 50
227 A 227 GLU E + 0 0 -89.9 122.3 -179.8 179.6 26.4 140.5 0 0.0 0 0.0 0 0.0 0 0.0 9 46
228 A 228 ILE I S S S+ 0 0 -86.0 -47.5 178.1 19.5 85.2 27.0 249 -0.6 0 0.0 226 -0.6 0 0.0 6 55
229 A 229 PHE F S t > > TS+ 0 0 -122.2 69.0 -179.7 169.5 70.2 126.9 0 0.0 232 -2.0 0 0.0 233 -1.2 9 49
230 A 230 PRO P T T 4 3 TS+ 0 0 -52.4 -25.1 179.1 65.2 74.9 42.7 0 0.0 0 0.0 0 0.0 0 0.0 11 34
231 A 231 ASP D T T 4 3 TS+ 0 0 -67.1 -32.0 -178.4 46.9 103.4 35.1 0 0.0 0 0.0 0 0.0 0 0.0 7 37
232 A 232 GLN Q T T 4 < TS- 0 0 -79.1 -40.6 -179.9 -28.7 129.7 30.3 229 -2.0 0 0.0 0 0.0 0 0.0 7 37
233 A 233 HIS H t < T - 0 0 -172.4 154.8 179.5 -99.5 63.6 162.7 229 -1.2 0 0.0 0 0.0 0 0.0 11 36
234 A 234 PRO P S t > TS- 0 0 -82.0 156.1 179.1 -10.6 83.8 120.3 0 0.0 237 -0.7 0 0.0 0 0.0 8 36
235 A 235 GLY G T T 3 TS- 0 0 57.1 -152.2 -178.7 -58.9 104.8 95.8 0 0.0 0 0.0 0 0.0 0 0.0 10 47
236 A 236 GLY G T e 3 TS+ 0 0 -117.4 22.0 -179.1 81.3 103.5 80.8 0 0.0 248 -2.9 0 0.0 0 0.0 14 57
237 A 237 PHE F E E CG < T - 247 0 -131.9 154.1 179.4 -165.1 48.6 157.5 234 -0.7 0 0.0 0 0.0 0 0.0 13 55
238 A 238 SER S E E CG - 246 0 -132.7 147.8 -178.8 -117.7 25.3 165.6 246 -2.3 246 -2.9 0 0.0 0 0.0 10 48
239 A 239 GLN Q E E CG - 245 0 -93.2 138.6 179.1 -138.3 21.0 134.0 0 0.0 0 0.0 0 0.0 0 0.0 8 37
240 A 240 LEU L e > T - 0 0 -85.0 165.7 -179.8 -104.6 30.2 113.6 244 -3.6 243 -1.8 0 0.0 0 0.0 8 36
241 A 241 GLU E T T 3 TS+ 0 0 -60.0 -34.6 -179.9 55.9 121.1 31.9 0 0.0 0 0.0 0 0.0 0 0.0 5 21
242 A 242 ASP D T T 3 TS- 0 0 -80.2 3.7 178.7 -100.8 124.6 65.7 0 0.0 0 0.0 0 0.0 0 0.0 4 18
243 A 243 GLY G S t < TS+ 0 0 100.7 -16.7 180.0 124.7 81.9 77.6 240 -1.8 0 0.0 0 0.0 0 0.0 8 19
244 A 244 ARG R e - 0 0 -73.4 166.3 179.6 -127.7 54.2 103.5 0 0.0 240 -3.6 0 0.0 0 0.0 11 32
245 A 245 TRP W E E CFG - 212 239 -120.1 139.1 -179.5 -164.7 19.1 162.1 212 -2.6 212 -3.2 0 0.0 0 0.0 14 42
246 A 246 VAL V E E CFG - 211 238 -123.9 146.4 179.9 -105.2 30.0 158.1 238 -2.9 238 -2.3 0 0.0 0 0.0 13 56
247 A 247 TRP W E E C G + 0 237 -71.4 119.6 179.8 167.5 43.5 124.5 210 -2.1 256 -2.2 0 0.0 0 0.0 12 65
248 A 248 THR T e + 0 0 -137.3 87.5 -180.0 176.7 13.0 140.6 236 -2.9 0 0.0 0 0.0 0 0.0 13 62
249 A 249 THR T S S S+ 0 0 -57.7 -40.3 -178.5 21.6 79.7 27.6 0 0.0 228 -0.6 0 0.0 0 0.0 13 59
250 A 250 PHE F S S S- 0 0 -100.4 -126.2 179.5 -7.9 124.8 64.6 0 0.0 0 0.0 0 0.0 0 0.0 8 55
251 A 251 ASN N S t > TS- 0 0 -70.7 160.5 -179.5 -111.8 70.1 108.7 0 0.0 254 -1.8 0 0.0 0 0.0 10 53
252 A 252 A SER S T T 3 TS+ 0 0 -64.5 -21.4 179.7 59.7 118.0 42.8 0 0.0 0 0.0 0 0.0 0 0.0 11 49
253 A 253 PHE F T e 3 TS+ 0 0 -91.8 14.1 177.2 79.9 90.8 76.2 0 0.0 190 -1.4 0 0.0 255 -0.5 9 55
254 A 254 GLN Q E E BE < T - 189 0 -122.0 108.6 -179.1 -161.7 68.0 164.2 251 -1.8 256 -0.5 0 0.0 0 0.0 13 59
255 A 255 TRP W E E BE - 188 0 -96.7 123.8 -180.0 -121.1 20.6 146.1 188 -2.3 188 -1.8 253 -0.5 0 0.0 15 63
256 A 256 ASP D E E BE - 187 0 -64.5 128.5 178.5 -124.3 26.6 113.3 247 -2.2 210 -0.6 254 -0.5 0 0.0 12 67
257 A 257 LEU L B e B - 209 0 -73.3 145.2 -177.5 -120.7 21.1 118.4 186 -2.5 259 -1.0 0 0.0 0 0.0 13 68
258 A 258 ASN N t > T + 0 0 -93.7 92.9 -179.8 175.8 31.2 135.5 208 -2.7 261 -1.4 0 0.0 0 0.0 12 54
259 A 259 TYR Y T T 3 TS+ 0 0 -75.1 -1.2 177.8 80.9 70.5 61.5 257 -1.0 0 0.0 0 0.0 0 0.0 10 61
260 A 260 SER S T T 3 TS+ 0 0 -77.4 -7.0 178.1 76.1 83.5 53.2 0 0.0 0 0.0 0 0.0 0 0.0 7 52
261 A 261 ASN N S h > X TS- 0 0 -103.1 112.7 -179.8 -149.8 78.9 155.7 258 -1.4 264 -2.2 0 0.0 265 -1.0 9 49
262 A 262 A PRO P H H > 3 TS+ 0 0 -53.2 -30.3 -179.7 65.1 94.5 37.2 0 0.0 266 -2.0 0 0.0 0 0.0 11 51
263 A 263 TRP W H H > 3 TS+ 0 0 -67.2 -20.6 178.1 57.8 95.9 42.6 0 0.0 267 -2.0 0 0.0 0 0.0 9 43
264 A 264 VAL V H H > < TS+ 0 0 -75.0 -39.1 178.2 50.0 104.8 27.2 261 -2.2 268 -2.4 0 0.0 0 0.0 12 53
265 A 265 PHE F H H X TS+ 0 0 -62.6 -44.2 -179.8 49.4 111.4 20.3 261 -1.0 269 -2.3 0 0.0 0 0.0 9 66
266 A 266 ARG R H H X TS+ 0 0 -60.3 -45.1 179.9 51.5 109.9 22.5 262 -2.0 270 -2.0 0 0.0 0 0.0 12 53
267 A 267 ALA A H H X TS+ 0 0 -58.4 -48.0 -179.1 42.4 114.0 21.8 263 -2.0 271 -1.4 0 0.0 0 0.0 8 55
268 A 268 MET M H H X TS+ 0 0 -72.3 -28.9 177.3 57.3 109.3 35.8 264 -2.4 272 -2.0 0 0.0 0 0.0 9 61
269 A 269 ALA A H H X TS+ 0 0 -66.5 -35.8 178.8 53.4 105.5 27.5 265 -2.3 273 -2.0 0 0.0 0 0.0 11 61
270 A 270 GLY G H H X TS+ 0 0 -64.3 -38.3 178.8 49.6 107.7 27.7 266 -2.0 274 -1.6 0 0.0 0 0.0 10 47
271 A 271 GLU E H H X TS+ 0 0 -67.6 -36.4 179.7 53.9 108.2 29.3 267 -1.4 275 -2.1 0 0.0 0 0.0 9 54
272 A 272 MET M H H X TS+ 0 0 -64.8 -40.1 179.7 50.1 107.4 26.2 268 -2.0 276 -2.5 0 0.0 0 0.0 9 61
273 A 273 LEU L H H X TS+ 0 0 -66.1 -35.9 178.9 55.0 107.8 30.2 269 -2.0 277 -2.1 0 0.0 0 0.0 13 57
274 A 274 PHE F H H < TS+ 0 0 -62.0 -47.8 -180.0 42.8 111.5 19.7 270 -1.6 0 0.0 0 0.0 0 0.0 9 53
275 A 275 LEU L H H < >>TS+ 0 0 -65.7 -39.3 -180.0 57.8 110.4 25.9 271 -2.1 280 -1.4 0 0.0 278 -1.3 9 62
276 A 276 ALA A H H < >5TS+ 0 0 -57.6 -42.9 -178.5 50.9 104.6 26.0 272 -2.5 279 -1.3 0 0.0 0 0.0 11 61
277 A 277 ASN N T h < 35TS+ 0 0 -76.6 -5.5 176.1 67.9 96.2 56.7 273 -2.1 0 0.0 0 0.0 0 0.0 12 57
278 A 278 LEU L T T <5TS- 0 0 -81.8 -14.5 -179.9 -102.7 124.0 51.5 275 -1.3 0 0.0 0 0.0 0 0.0 8 58
279 A 279 GLY G T T <5T + 0 0 105.0 11.7 179.4 165.8 61.9 55.7 276 -1.3 0 0.0 0 0.0 0 0.0 11 58
280 A 280 VAL V t T - 183 327 -80.8 95.0 -177.9 -149.8 21.4 130.3 326 -2.8 328 -1.7 283 -0.8 288 -0.8 13 63
286 A 286 ASP D T e 3 T - 0 0 -70.4 133.0 178.0 -6.4 67.4 115.6 183 -1.4 0 0.0 284 -1.3 0 0.0 12 65
287 A 287 ALA A T g > TS+ 0 0 51.8 44.3 -179.4 166.9 73.1 33.0 0 0.0 290 -1.4 0 0.0 0 0.0 11 61
288 A 288 VAL V G G X T + 0 0 -56.6 -33.9 -176.9 64.8 66.3 35.7 285 -0.8 291 -1.0 328 -0.8 0 0.0 13 62
289 A 289 ALA A G G 3 TS+ 0 0 -64.5 -22.7 -174.8 53.2 99.0 43.0 0 0.0 301 -1.6 0 0.0 302 -0.5 10 58
290 A 290 PHE F G G < TS+ 0 0 -97.2 0.4 -176.2 101.7 71.6 64.3 287 -1.4 0 0.0 0 0.0 0 0.0 11 62
291 A 291 ILE I S g < TS+ 0 0 -70.1 -0.4 176.2 52.8 79.0 62.8 288 -1.0 0 0.0 0 0.0 0 0.0 12 59
292 A 292 TRP W - 0 0 -136.9 135.6 -179.0 -162.6 66.2 176.3 0 0.0 0 0.0 0 0.0 0 0.0 14 56
293 A 293 LYS K + 0 0 -116.6 148.2 177.1 170.3 11.7 150.8 0 0.0 0 0.0 0 0.0 0 0.0 9 53
294 A 294 GLN Q t > T - 0 0 -158.4 121.3 179.5 -112.4 37.1 150.9 0 0.0 297 -1.9 0 0.0 0 0.0 7 36
295 A 295 MET M T T 3 TS+ 0 0 -51.4 138.0 179.2 27.1 103.2 101.6 0 0.0 0 0.0 0 0.0 0 0.0 7 32
296 A 296 GLY G T T 3 TS+ 0 0 88.9 -5.9 179.1 87.1 108.4 68.0 0 0.0 0 0.0 0 0.0 0 0.0 8 22
297 A 297 THR T S t < TS- 0 0 -119.2 172.5 179.8 -107.4 90.8 136.3 294 -1.9 0 0.0 0 0.0 0 0.0 9 29
298 A 298 SER S - 0 0 -75.0 -8.2 -178.7 -128.9 46.5 54.3 0 0.0 0 0.0 0 0.0 0 0.0 8 36
299 A 299 CYS C S S S+ 0 0 59.7 35.4 178.0 113.6 73.9 30.1 0 0.0 0 0.0 0 0.0 0 0.0 11 48
300 A 300 GLU E S S S- 0 0 -136.9 138.9 177.2 -0.3 76.1 175.3 0 0.0 0 0.0 0 0.0 0 0.0 10 52
301 A 301 ASN N S S S+ 0 0 57.7 26.1 -179.8 168.9 81.9 43.7 289 -1.6 0 0.0 0 0.0 0 0.0 11 48
302 A 302 LEU L h > > T - 0 0 -68.8 154.6 -179.5 -109.9 47.6 107.4 289 -0.5 306 -1.3 0 0.0 305 -1.2 10 40
303 A 303 PRO P H H > 3 TS+ 0 0 -51.1 -42.8 -179.4 55.7 117.3 30.7 0 0.0 307 -2.1 0 0.0 0 0.0 6 40
304 A 304 GLN Q H H > 3 TS+ 0 0 -64.9 -26.3 178.9 60.2 100.3 39.5 0 0.0 308 -2.3 0 0.0 0 0.0 9 44
305 A 305 ALA A H H > < TS+ 0 0 -66.2 -46.1 179.3 44.5 107.6 19.7 302 -1.2 309 -1.9 0 0.0 0 0.0 13 59
306 A 306 HIS H H H X TS+ 0 0 -63.2 -42.0 -180.0 52.6 112.6 24.4 302 -1.3 310 -2.1 0 0.0 0 0.0 11 57
307 A 307 ALA A H H X TS+ 0 0 -61.3 -43.1 179.7 51.3 107.3 26.2 303 -2.1 311 -1.8 0 0.0 0 0.0 12 48
308 A 308 LEU L H H X TS+ 0 0 -62.7 -40.9 179.2 49.3 110.0 26.1 304 -2.3 312 -2.3 0 0.0 0 0.0 11 64
309 A 309 ILE I H H X TS+ 0 0 -66.5 -37.5 178.3 51.0 110.0 27.2 305 -1.9 313 -2.2 0 0.0 0 0.0 11 70
310 A 310 ARG R H H X TS+ 0 0 -68.2 -29.2 178.0 53.3 108.4 34.0 306 -2.1 314 -2.0 0 0.0 0 0.0 14 57
311 A 311 ALA A H H X TS+ 0 0 -69.1 -45.4 177.8 48.3 108.7 20.2 307 -1.8 315 -1.8 0 0.0 0 0.0 13 68
312 A 312 PHE F H H X TS+ 0 0 -59.4 -40.2 179.9 55.2 108.9 26.8 308 -2.3 316 -1.6 0 0.0 0 0.0 10 77
313 A 313 ASN N H H X TS+ 0 0 -58.8 -47.7 180.0 50.7 106.0 19.0 309 -2.2 317 -2.1 0 0.0 0 0.0 13 69
314 A 314 ALA A H H X TS+ 0 0 -59.9 -35.8 179.1 58.4 104.0 31.3 310 -2.0 318 -1.4 0 0.0 0 0.0 13 59
315 A 315 VAL V H H X TS+ 0 0 -61.7 -39.7 179.2 46.2 108.5 23.7 311 -1.8 319 -2.9 0 0.0 0 0.0 12 68
316 A 316 MET M H H X TS+ 0 0 -69.9 -38.0 179.6 57.2 106.4 27.6 312 -1.6 320 -2.6 0 0.0 0 0.0 12 76
317 A 317 ARG R H H < TS+ 0 0 -62.0 -26.4 -179.7 38.8 116.4 36.2 313 -2.1 0 0.0 0 0.0 0 0.0 11 64
318 A 318 ILE I H H < TS+ 0 0 -89.3 -46.5 -176.5 19.2 132.3 25.5 314 -1.4 0 0.0 0 0.0 0 0.0 13 64
319 A 319 ALA A H H < TS+ 0 0 -107.1 -7.2 179.2 13.9 137.8 58.9 315 -2.9 0 0.0 0 0.0 0 0.0 12 66
320 A 320 ALA A h < > T + 0 0 -167.5 69.7 -179.5 177.8 59.1 105.9 316 -2.6 323 -2.0 0 0.0 0 0.0 14 65
321 A 321 PRO P T T 3 TS+ 0 0 -49.6 -26.4 -178.7 66.6 77.2 47.4 0 0.0 0 0.0 0 0.0 0 0.0 12 66
322 A 322 ALA A T T 3 TS+ 0 0 -72.6 -21.0 -177.7 96.4 79.1 43.2 0 0.0 324 -0.6 0 0.0 0 0.0 15 60
323 A 323 VAL V t < T - 0 0 -79.4 116.3 179.1 -177.0 54.1 127.2 320 -2.0 0 0.0 0 0.0 0 0.0 12 72
324 A 324 PHE F E E Ah - 282 0 -106.3 164.9 -179.0 -123.7 18.7 130.0 281 -2.5 283 -2.6 322 -0.6 0 0.0 12 73
325 A 325 PHE F E E Ah - 283 0 -115.4 142.9 176.2 -159.3 9.7 153.6 0 0.0 347 -1.9 0 0.0 327 -0.5 14 70
326 A 326 LYS K E E Ahi - 284 347 -118.5 113.3 -179.3 -139.2 22.7 165.6 283 -2.6 285 -2.8 0 0.0 0 0.0 13 71
327 A 327 A SER S E E Ahi - 285 348 -76.8 131.5 176.0 -159.8 9.4 123.1 347 -2.5 349 -2.3 325 -0.5 329 -0.8 14 65
328 A 328 GLU E e + 0 0 -109.1 90.6 179.3 149.4 32.7 148.3 285 -1.7 288 -0.8 0 0.0 0 0.0 11 65
329 A 329 ALA A + 0 0 -126.7 96.5 -179.6 179.4 20.2 152.2 327 -0.8 331 -1.2 0 0.0 0 0.0 12 63
330 A 330 ILE I + 0 0 -98.2 75.1 -177.3 106.2 47.5 130.4 0 0.0 0 0.0 0 0.0 0 0.0 9 53
331 A 331 VAL V S S S- 0 0 -134.5 -167.1 179.6 -34.6 77.2 125.9 329 -1.2 0 0.0 0 0.0 0 0.0 7 48
332 A 332 HIS H h > > T - 0 0 -58.3 138.7 180.0 -117.8 60.1 107.9 0 0.0 336 -2.2 0 0.0 335 -1.6 9 45
333 A 333 PRO P H H > 3 TS+ 0 0 -48.3 -37.7 179.5 58.4 114.4 35.1 0 0.0 337 -1.5 0 0.0 0 0.0 11 47
334 A 334 ASP D H H 4 3 TS+ 0 0 -63.3 -31.1 -179.1 39.6 113.5 34.1 0 0.0 0 0.0 0 0.0 0 0.0 6 37
335 A 335 A GLN Q H H 4 X TS+ 0 0 -88.2 -31.9 -179.7 64.9 105.4 37.9 332 -1.6 338 -0.6 0 0.0 0 0.0 9 43
336 A 336 VAL V H H < > TS+ 0 0 -56.4 -49.5 -177.2 49.6 101.6 20.5 332 -2.2 339 -1.4 0 0.0 0 0.0 12 57
337 A 337 A VAL V G h < > TS+ 0 0 -67.5 -18.4 -179.7 73.4 94.4 46.8 333 -1.5 340 -0.9 0 0.0 0 0.0 7 56
338 A 338 A GLN Q G T < TS+ 0 0 -70.9 -16.4 179.0 56.4 92.4 46.2 335 -0.6 0 0.0 0 0.0 0 0.0 7 51
339 A 339 TYR Y G T < TS+ 0 0 -86.4 -16.1 -177.7 89.5 89.9 50.6 336 -1.4 345 -2.0 0 0.0 341 -0.6 12 59
340 A 340 ILE I B B c < T + 345 0 -91.7 119.2 -179.5 114.7 52.8 138.0 337 -0.9 0 0.0 0 0.0 0 0.0 14 62
341 A 341 GLY G S t > TS- 0 0 -173.8 152.1 -179.6 -107.0 72.7 159.1 345 -2.1 344 -1.7 339 -0.6 0 0.0 12 51
342 A 342 GLN Q T T 3 TS+ 0 0 -57.5 -33.1 -179.7 43.2 123.6 31.4 0 0.0 0 0.0 0 0.0 0 0.0 9 49
343 A 343 ASP D T T 3 TS+ 0 0 -94.1 4.0 178.6 27.5 127.4 68.9 0 0.0 0 0.0 0 0.0 0 0.0 8 51
344 A 344 GLU E S t < TS- 0 0 -125.0 -105.3 176.3 -12.7 132.1 73.6 341 -1.7 346 -0.6 0 0.0 0 0.0 12 59
345 A 345 CYS C B B c - 340 0 -106.6 116.1 -178.5 -158.8 55.9 158.9 339 -2.0 341 -2.1 0 0.0 0 0.0 17 63
346 A 346 GLN Q S e S+ 0 0 -63.5 -28.5 177.3 18.8 79.4 38.1 344 -0.6 384 -1.8 0 0.0 0 0.0 14 62
347 A 347 ILE I E E Aij - 326 384 -137.6 161.4 179.7 -179.9 69.8 159.2 325 -1.9 327 -2.5 0 0.0 0 0.0 15 66
348 A 348 GLY G E E Aij - 327 385 -161.0 151.2 178.7 -86.9 36.8 169.5 384 -1.2 386 -2.1 0 0.0 0 0.0 15 70
349 A 349 TYR Y E E A j - 0 386 -58.2 146.8 179.8 -141.5 31.8 105.2 327 -2.3 0 0.0 0 0.0 0 0.0 13 78
350 A 350 ASN N h > T + 0 0 -111.3 72.7 -179.8 165.1 31.2 132.6 386 -1.9 354 -1.8 0 0.0 0 0.0 11 70
351 A 351 PRO P H H > TS+ 0 0 -60.6 -29.7 -179.7 63.3 70.3 35.5 0 0.0 355 -3.0 0 0.0 0 0.0 10 61
352 A 352 LEU L H H > TS+ 0 0 -62.4 -47.7 179.9 42.4 105.9 19.3 0 0.0 356 -2.1 0 0.0 0 0.0 10 63
353 A 353 GLN Q H H > TS+ 0 0 -64.3 -42.1 -179.5 50.4 116.2 21.6 0 0.0 357 -1.5 0 0.0 0 0.0 11 69
354 A 354 MET M H H X > TS+ 0 0 -59.8 -52.8 -179.3 45.0 112.0 18.4 350 -1.8 358 -1.6 0 0.0 357 -0.5 12 71
355 A 355 ALA A H H X 3 TS+ 0 0 -60.9 -38.7 -179.3 51.4 113.4 28.3 351 -3.0 359 -2.2 0 0.0 0 0.0 13 69
356 A 356 LEU L H H X 3 TS+ 0 0 -74.0 -21.1 176.7 60.8 101.1 43.1 352 -2.1 360 -2.3 0 0.0 0 0.0 12 67
357 A 357 LEU L H H X < TS+ 0 0 -66.8 -46.9 179.6 41.1 111.0 18.0 353 -1.5 361 -1.6 354 -0.5 0 0.0 11 67
358 A 358 TRP W H H X TS+ 0 0 -66.4 -39.6 178.1 55.5 112.3 25.9 354 -1.6 362 -1.8 0 0.0 0 0.0 8 76
359 A 359 ASN N H H X TS+ 0 0 -56.1 -47.5 -178.2 49.7 107.8 21.7 355 -2.2 363 -2.6 0 0.0 0 0.0 9 68
360 A 360 THR T H H X TS+ 0 0 -64.5 -34.8 177.1 55.0 105.8 34.8 356 -2.3 364 -2.3 0 0.0 0 0.0 13 61
361 A 361 LEU L H H < TS+ 0 0 -65.2 -37.0 -179.4 43.7 113.6 26.9 357 -1.6 0 0.0 0 0.0 0 0.0 11 70
362 A 362 ALA A H H < TS+ 0 0 -73.5 -46.2 -178.2 31.0 124.7 22.2 358 -1.8 0 0.0 0 0.0 0 0.0 8 59
363 A 363 THR T H H < TS- 0 0 -85.8 -22.2 -177.7 -140.2 90.0 45.1 359 -2.6 0 0.0 0 0.0 0 0.0 6 50
364 A 364 ARG R h < T + 0 0 72.4 3.3 -178.9 113.5 69.0 62.0 360 -2.3 366 -0.5 0 0.0 0 0.0 9 46
365 A 365 GLU E - 0 0 -114.1 125.2 -177.5 -160.8 55.2 158.2 0 0.0 0 0.0 0 0.0 0 0.0 12 45
366 A 366 VAL V h > T + 0 0 -82.0 2.2 -179.2 111.0 59.2 66.4 564 -2.3 370 -3.4 364 -0.5 0 0.0 12 54
367 A 367 ASN N H H > TS+ 0 0 -43.0 -57.8 -179.4 38.8 82.4 28.7 0 0.0 371 -2.2 0 0.0 0 0.0 8 52
368 A 368 LEU L H H > TS+ 0 0 -64.2 -41.7 179.7 49.6 117.8 25.5 0 0.0 372 -2.4 0 0.0 0 0.0 11 54
369 A 369 LEU L H H > TS+ 0 0 -63.4 -45.0 179.5 49.6 111.1 21.7 0 0.0 373 -2.6 0 0.0 0 0.0 12 64
370 A 370 HIS H H H X TS+ 0 0 -59.1 -44.4 -179.9 51.0 110.5 23.5 366 -3.4 374 -1.9 0 0.0 0 0.0 11 53
371 A 371 GLN Q H H X TS+ 0 0 -58.9 -47.2 -179.4 47.1 111.6 21.8 367 -2.2 375 -2.4 0 0.0 0 0.0 10 48
372 A 372 ALA A H H X TS+ 0 0 -63.4 -43.3 -179.4 47.8 112.8 25.5 368 -2.4 376 -2.4 0 0.0 0 0.0 11 56
373 A 373 LEU L H H < TS+ 0 0 -69.2 -27.4 -179.8 47.7 115.0 36.2 369 -2.6 0 0.0 0 0.0 0 0.0 12 57
374 A 374 THR T H H < TS+ 0 0 -79.7 -39.8 -175.9 17.8 128.4 29.2 370 -1.9 0 0.0 0 0.0 0 0.0 9 35
375 A 375 TYR Y H H < TS+ 0 0 -113.2 -12.3 -177.8 34.6 130.0 54.1 371 -2.4 0 0.0 0 0.0 0 0.0 7 37
376 A 376 ARG R S h < TS+ 0 0 -129.9 14.5 -179.0 78.4 94.8 74.7 372 -2.4 0 0.0 0 0.0 0 0.0 8 52
377 A 377 HIS H + 0 0 -90.1 -50.0 -178.3 82.0 69.7 23.3 0 0.0 0 0.0 0 0.0 0 0.0 9 62
378 A 378 ASN N - 0 0 -63.7 136.9 -178.1 -166.4 61.9 109.6 0 0.0 0 0.0 0 0.0 0 0.0 8 49
379 A 379 LEU L - 0 0 -120.3 168.1 179.6 -82.5 27.1 136.6 0 0.0 0 0.0 0 0.0 0 0.0 8 47
380 A 380 PRO P t > T - 0 0 -63.8 165.0 179.8 -73.0 66.5 99.4 0 0.0 383 -0.9 0 0.0 0 0.0 6 33
381 A 381 GLU E T T 3 TS+ 0 0 -60.4 151.1 177.9 20.8 115.3 101.4 0 0.0 0 0.0 0 0.0 0 0.0 5 34
382 A 382 HIS H T T 3 TS+ 0 0 63.3 26.5 177.7 96.5 105.1 43.2 0 0.0 0 0.0 0 0.0 0 0.0 11 40
383 A 383 THR T t < T - 0 0 -138.1 161.4 -179.2 -172.1 48.9 158.7 380 -0.9 0 0.0 0 0.0 0 0.0 15 52
384 A 384 ALA A E E Aj - 347 0 -154.2 157.8 177.5 -115.3 22.8 172.6 346 -1.8 348 -1.2 0 0.0 0 0.0 15 64
385 A 385 TRP W E E Aj - 348 0 -89.2 156.4 173.2 -135.0 20.8 125.7 0 0.0 481 -2.6 0 0.0 387 -0.7 12 69
386 A 386 VAL V E E Ajk - 349 481 -110.2 108.4 -178.6 -156.0 28.2 167.6 348 -2.1 350 -1.9 0 0.0 0 0.0 12 74
387 A 387 ASN N E E A k + 0 482 -93.4 127.3 -178.0 166.1 21.1 143.6 481 -1.4 483 -2.7 385 -0.7 0 0.0 15 71
388 A 388 TYR Y E E A k - 0 483 -138.2 166.7 179.7 -155.6 38.7 152.7 0 0.0 0 0.0 0 0.0 0 0.0 15 65
389 A 389 A VAL V S e S- 0 0 -109.2 -39.9 177.5 -1.5 84.3 43.4 483 -0.6 0 0.0 0 0.0 0 0.0 13 65
390 A 390 ARG R - 0 0 -146.9 163.2 179.5 -173.7 61.7 162.0 0 0.0 0 0.0 0 0.0 0 0.0 11 70
391 A 391 SER S - 0 0 -143.1 -172.6 179.5 -81.3 50.7 139.6 393 -0.6 0 0.0 0 0.0 0 0.0 7 68
392 A 392 HIS H S S S+ 0 0 -73.1 -11.5 -179.5 70.9 109.4 53.0 0 0.0 0 0.0 0 0.0 0 0.0 8 61
393 A 393 ASP D S S S- 0 0 -104.0 171.4 178.0 -88.8 92.2 122.1 0 0.0 391 -0.6 0 0.0 0 0.0 7 60
394 A 394 ASP D - 0 0 -66.5 166.6 176.7 -100.9 46.1 97.9 0 0.0 396 -0.6 0 0.0 0 0.0 11 56
395 A 395 ILE I B B D - 447 0 -96.3 123.4 177.8 -165.3 37.1 149.0 447 -2.9 447 -2.0 0 0.0 0 0.0 9 69
396 A 396 GLY G - 0 0 -107.3 144.0 -178.4 -128.5 23.4 150.6 394 -0.6 398 -1.5 0 0.0 0 0.0 9 64
397 A 397 TRP W + 0 0 -91.3 66.3 -177.0 160.3 43.4 116.8 0 0.0 399 -0.9 0 0.0 0 0.0 8 63
398 A 398 THR T + 0 0 -84.2 41.6 176.3 132.5 18.7 98.3 396 -1.5 0 0.0 0 0.0 0 0.0 11 53
399 A 399 PHE F - 0 0 -83.0 161.4 -179.0 -93.4 67.6 121.1 397 -0.9 0 0.0 0 0.0 0 0.0 11 58
400 A 400 ALA A h > T - 0 0 -82.5 127.1 178.9 -150.3 20.5 130.9 0 0.0 404 -2.4 0 0.0 0 0.0 9 45
401 A 401 ASP D H H > TS+ 0 0 -59.4 -36.5 -179.6 55.4 100.6 30.5 0 0.0 405 -2.6 0 0.0 0 0.0 8 35
402 A 402 GLU E H H > TS+ 0 0 -64.4 -41.3 179.3 47.0 108.1 26.4 0 0.0 406 -1.3 0 0.0 0 0.0 6 29
403 A 403 ASP D H H > TS+ 0 0 -65.5 -44.6 -179.3 48.6 113.7 23.6 0 0.0 407 -0.6 0 0.0 0 0.0 9 36
404 A 404 ALA A H H < >>TS+ 0 0 -63.1 -42.4 -179.8 57.3 105.4 26.0 400 -2.4 409 -2.5 0 0.0 407 -1.4 13 40
405 A 405 ALA A H H < >5TS+ 0 0 -58.1 -35.3 179.8 60.2 99.1 31.2 401 -2.6 408 -1.8 0 0.0 0 0.0 10 21
406 A 406 TYR Y H H < 35TS+ 0 0 -63.7 -24.9 179.6 46.8 107.2 38.7 402 -1.3 0 0.0 0 0.0 0 0.0 7 20
407 A 407 LEU L T h < <5TS- 0 0 -98.2 7.7 180.0 -104.2 124.9 73.7 404 -1.4 0 0.0 403 -0.6 0 0.0 8 27
408 A 408 GLY G T T <5TS+ 0 0 76.0 24.9 -179.7 135.7 78.2 41.3 405 -1.8 0 0.0 0 0.0 0 0.0 6 20
409 A 409 ILE I t T - 0 0 -86.1 114.2 -179.2 -150.3 11.1 139.4 0 0.0 414 -2.8 0 0.0 0 0.0 9 25
411 A 411 GLY G H H > TS+ 0 0 -48.1 -56.3 -179.3 46.6 92.9 24.0 409 -0.7 415 -2.4 0 0.0 0 0.0 10 36
412 A 412 TYR Y H H > TS+ 0 0 -55.7 -50.4 179.9 44.8 115.5 22.6 0 0.0 416 -1.6 0 0.0 0 0.0 6 33
413 A 413 ASP D H H > TS+ 0 0 -61.5 -41.2 -178.2 52.1 113.1 25.8 0 0.0 417 -1.7 0 0.0 0 0.0 7 29
414 A 414 HIS H H H X TS+ 0 0 -65.0 -40.1 179.5 51.1 106.9 28.1 410 -2.8 418 -2.5 0 0.0 0 0.0 9 43
415 A 415 ARG R H H X TS+ 0 0 -66.9 -32.6 178.2 57.1 105.9 31.6 411 -2.4 419 -2.6 0 0.0 0 0.0 10 49
416 A 416 GLN Q H H X TS+ 0 0 -61.3 -44.8 179.5 45.7 109.4 22.0 412 -1.6 420 -2.2 0 0.0 0 0.0 9 40
417 A 417 PHE F H H X TS+ 0 0 -62.9 -50.1 -179.0 49.7 112.3 19.2 413 -1.7 421 -3.0 0 0.0 0 0.0 9 42
418 A 418 LEU L H H X TS+ 0 0 -57.8 -43.0 179.7 48.6 111.8 25.9 414 -2.5 422 -2.6 0 0.0 0 0.0 10 57
419 A 419 ASN N H H X TS+ 0 0 -64.6 -45.6 179.0 45.5 113.8 20.4 415 -2.6 423 -1.0 0 0.0 0 0.0 12 51
420 A 420 A ARG R H H < >>TS+ 0 0 -62.6 -44.0 -179.1 50.9 114.0 22.2 416 -2.2 425 -2.9 0 0.0 423 -0.6 10 42
421 A 421 PHE F H H < >5TS+ 0 0 -60.1 -50.0 -177.0 46.7 110.2 19.3 417 -3.0 424 -1.4 0 0.0 0 0.0 12 43
422 A 422 PHE F H H < 35TS+ 0 0 -74.7 -8.5 177.6 50.7 110.8 53.2 418 -2.6 433 -1.9 0 0.0 0 0.0 14 58
423 A 423 VAL V T h < <5TS- 0 0 -110.8 19.6 178.4 -105.9 119.4 83.1 419 -1.0 0 0.0 420 -0.6 0 0.0 12 51
424 A 424 ASN N T T <5TS+ 0 0 59.1 47.8 178.3 121.4 86.3 25.6 421 -1.4 0 0.0 0 0.0 0 0.0 12 37
425 A 425 ARG R t TS- 0 0 -146.0 126.5 -179.0 -94.1 92.6 165.1 0 0.0 429 -2.4 0 0.0 0 0.0 8 27
427 A 427 ASP D T T 3 TS+ 0 0 -43.8 122.6 177.6 3.2 105.9 95.0 0 0.0 0 0.0 0 0.0 0 0.0 5 19
428 A 428 GLY G T T 3 TS+ 0 0 83.1 -3.5 -179.4 156.9 86.4 67.7 0 0.0 0 0.0 0 0.0 0 0.0 4 26
429 A 429 SER S t < T - 0 0 -58.4 141.6 178.8 -158.8 33.9 103.9 426 -2.4 0 0.0 0 0.0 0 0.0 9 40
430 A 430 PHE F + 0 0 -95.8 -8.1 -178.2 103.8 61.6 59.2 0 0.0 0 0.0 0 0.0 0 0.0 9 48
431 A 431 ALA A - 0 0 -81.1 146.5 179.5 -171.5 47.4 118.3 0 0.0 0 0.0 0 0.0 0 0.0 12 54
432 A 432 ARG R + 0 0 -131.8 55.0 179.1 137.6 36.3 113.9 453 -1.5 0 0.0 0 0.0 0 0.0 13 50
433 A 433 GLY G - 0 0 -91.7 -177.4 -178.8 -125.4 44.7 105.7 422 -1.9 0 0.0 0 0.0 0 0.0 13 62
434 A 434 A VAL V E E DL - 448 0 -132.7 143.1 -179.8 -103.0 26.4 167.1 448 -2.5 448 -3.1 0 0.0 0 0.0 11 52
435 A 435 PRO P E E DL - 447 0 -65.1 151.2 176.6 -162.3 30.2 106.0 0 0.0 0 0.0 0 0.0 0 0.0 12 50
436 A 436 PHE F E E DL - 446 0 -139.4 120.1 178.6 -17.1 63.9 163.8 446 -2.1 446 -2.4 0 0.0 0 0.0 12 50
437 A 437 GLN Q - 0 0 57.5 48.0 176.9 -167.1 67.0 28.7 0 0.0 0 0.0 0 0.0 0 0.0 10 46
438 A 438 TYR Y - 0 0 -62.6 127.4 -179.6 -150.1 11.0 120.5 0 0.0 0 0.0 0 0.0 0 0.0 10 41
439 A 439 ASN N t > > T - 0 0 -107.6 106.1 -179.7 -164.4 11.3 152.4 444 -2.8 443 -3.6 0 0.0 442 -1.1 10 29
440 A 440 PRO P T T 4 3 TS+ 0 0 -57.1 -31.4 -179.0 54.2 89.0 37.3 0 0.0 0 0.0 0 0.0 0 0.0 6 24
441 A 441 A SER S T T 4 3 TS+ 0 0 -78.7 -19.9 -178.9 22.1 124.6 45.3 0 0.0 0 0.0 0 0.0 0 0.0 4 21
442 A 442 THR T T T 4 < TS- 0 0 -119.8 -21.9 -179.1 -128.1 92.4 51.7 439 -1.1 0 0.0 0 0.0 0 0.0 5 28
443 A 443 GLY G t < T + 0 0 85.7 -2.9 -179.9 139.4 61.8 65.3 439 -3.6 0 0.0 0 0.0 0 0.0 7 30
444 A 444 ASP D + 0 0 -75.0 155.5 179.9 167.0 22.9 111.6 0 0.0 439 -2.8 0 0.0 0 0.0 10 40
445 A 445 CYS C - 0 0 -165.2 150.4 178.9 -150.0 19.7 165.1 0 0.0 0 0.0 0 0.0 0 0.0 11 48
446 A 446 ARG R E E DL - 436 0 -120.7 172.5 -177.0 -116.8 20.4 137.0 436 -2.4 436 -2.1 0 0.0 0 0.0 13 61
447 A 447 VAL V E E DLD - 435 395 -122.5 134.3 177.9 -167.7 18.2 160.0 395 -2.0 395 -2.9 0 0.0 0 0.0 14 61
448 A 448 SER S E E DL + 434 0 -111.1 155.9 -179.5 94.4 37.3 142.1 434 -3.1 434 -2.5 0 0.0 0 0.0 15 60
449 A 449 GLY G - 0 0 137.6 150.3 179.8 -82.7 68.1 117.7 0 0.0 0 0.0 0 0.0 0 0.0 14 62
450 A 450 THR T h > T - 0 0 -77.2 163.1 179.3 -106.9 43.0 109.5 0 0.0 454 -2.3 0 0.0 0 0.0 15 66
451 A 451 ALA A H H > TS+ 0 0 -53.7 -45.2 -179.3 50.6 122.4 23.3 0 0.0 455 -1.2 0 0.0 0 0.0 12 72
452 A 452 ALA A H H > >TS+ 0 0 -61.8 -41.0 179.2 50.0 109.2 29.0 492 -0.6 457 -2.4 0 0.0 456 -0.6 14 66
453 A 453 ALA A H H 4 5TS+ 0 0 -66.0 -36.1 -177.8 51.2 110.4 29.4 0 0.0 432 -1.5 0 0.0 0 0.0 14 62
454 A 454 LEU L H H < 5TS+ 0 0 -77.4 -19.0 179.5 48.3 109.5 45.9 450 -2.3 0 0.0 0 0.0 0 0.0 13 72
455 A 455 VAL V H H < 5TS- 0 0 -98.9 -4.1 178.1 -99.5 121.3 62.0 451 -1.2 0 0.0 0 0.0 0 0.0 15 64
456 A 456 GLY G T h < >>TS+ 0 0 100.5 13.0 -178.9 131.3 80.2 54.4 452 -0.6 461 -2.5 0 0.0 459 -0.6 14 50
457 A 457 LEU L G G > 3 TS+ 0 0 -94.2 -10.7 -178.0 93.5 84.4 56.3 0 0.0 467 -2.0 0 0.0 0 0.0 11 44
464 A 464 ALA A H H > < TS+ 0 0 -48.8 -54.7 -179.5 47.6 84.0 26.5 461 -1.7 468 -1.9 0 0.0 0 0.0 12 55
465 A 465 VAL V H H > TS+ 0 0 -57.3 -43.8 -179.7 49.2 113.0 24.6 0 0.0 469 -1.9 0 0.0 0 0.0 12 55
466 A 466 ASP D H H > TS+ 0 0 -67.1 -31.7 178.6 55.9 106.8 33.5 0 0.0 470 -2.2 0 0.0 0 0.0 9 59
467 A 467 ARG R H H X TS+ 0 0 -65.6 -41.7 179.3 49.7 107.0 24.7 463 -2.0 471 -2.4 0 0.0 0 0.0 11 68
468 A 468 ILE I H H X TS+ 0 0 -62.9 -42.1 179.4 50.4 110.6 25.0 464 -1.9 472 -2.3 0 0.0 0 0.0 12 71
469 A 469 A LYS K H H X TS+ 0 0 -61.9 -44.5 -179.8 49.8 110.5 23.8 465 -1.9 473 -2.1 0 0.0 0 0.0 11 67
470 A 470 LEU L H H X TS+ 0 0 -61.1 -49.0 -180.0 48.2 111.0 21.1 466 -2.2 474 -1.5 0 0.0 0 0.0 12 73
471 A 471 A LEU L H H X > TS+ 0 0 -58.2 -52.7 -179.5 43.5 115.2 17.4 467 -2.4 475 -1.5 0 0.0 474 -0.5 10 74
472 A 472 TYR Y H H X 3 TS+ 0 0 -64.6 -30.3 -180.0 63.6 105.6 33.7 468 -2.3 476 -2.2 0 0.0 0 0.0 11 75
473 A 473 SER S H H X 3 TS+ 0 0 -61.2 -37.3 -179.1 47.2 104.7 27.6 469 -2.1 477 -0.9 0 0.0 0 0.0 11 72
474 A 474 ILE I H H X < TS+ 0 0 -72.9 -40.2 178.4 48.5 111.2 26.3 470 -1.5 478 -1.8 471 -0.5 0 0.0 8 78
475 A 475 ALA A H H < TS+ 0 0 -67.0 -31.8 -179.4 50.0 114.0 31.8 471 -1.5 0 0.0 0 0.0 0 0.0 13 76
476 A 476 LEU L H H < TS+ 0 0 -79.9 -17.4 -175.9 29.8 121.2 48.2 472 -2.2 0 0.0 0 0.0 0 0.0 14 79
477 A 477 SER S H H < TS+ 0 0 -123.6 -7.8 -178.6 81.7 92.5 56.7 473 -0.9 0 0.0 0 0.0 0 0.0 9 77
478 A 478 THR T S h < TS- 0 0 -72.5 -24.0 -179.1 -87.0 106.2 39.0 474 -1.8 0 0.0 0 0.0 0 0.0 12 78
479 A 479 GLY G S S S+ 0 0 117.1 114.4 -178.2 67.2 86.6 74.1 0 0.0 0 0.0 0 0.0 0 0.0 17 70
480 A 480 GLY G S S S- 0 0 135.4 178.2 -178.8 -49.9 90.7 139.2 553 -0.6 0 0.0 0 0.0 0 0.0 16 71
481 A 481 LEU L E E A k - 0 386 -90.9 113.1 -179.9 -141.9 55.0 140.0 385 -2.6 387 -1.4 0 0.0 0 0.0 16 71
482 A 482 PRO P E E A k - 0 387 -77.3 138.9 -179.2 -156.3 10.6 122.8 0 0.0 100 -3.2 0 0.0 484 -0.5 12 70
483 A 483 LEU L E E Abk - 100 388 -120.7 119.3 -179.9 -155.5 2.0 164.7 387 -2.7 389 -0.6 0 0.0 0 0.0 13 74
484 A 484 ILE I E E Ab - 101 0 -95.0 129.4 177.2 -135.1 16.2 142.8 100 -2.9 102 -1.9 482 -0.5 486 -1.2 13 68
485 A 485 TYR Y E E Ab > T - 102 0 -81.8 102.7 -177.0 -119.7 38.3 137.4 0 0.0 488 -2.5 0 0.0 0 0.0 13 71
486 A 486 LEU L T e 3 TS+ 0 0 -51.3 128.3 -177.5 39.7 98.8 99.3 102 -1.7 0 0.0 484 -1.2 0 0.0 8 67
487 A 487 GLY G T g >>TS+ 0 0 119.9 -30.0 179.3 87.9 92.9 97.0 0 0.0 492 -2.2 0 0.0 490 -1.3 9 69
488 A 488 ASP D G G X5TS+ 0 0 -66.7 -30.1 -177.7 69.7 74.9 36.2 485 -2.5 491 -1.4 0 0.0 0 0.0 11 72
489 A 489 GLU E G G 35TS+ 0 0 -69.8 -4.6 176.9 35.3 108.0 58.9 0 0.0 0 0.0 0 0.0 0 0.0 11 74
490 A 490 VAL V G G <5TS- 0 0 -128.8 11.6 178.1 -103.5 119.8 78.9 487 -1.3 0 0.0 0 0.0 0 0.0 13 59
491 A 491 GLY G T g <5T - 0 0 71.3 38.8 -179.4 -168.1 46.5 32.5 488 -1.4 0 0.0 0 0.0 0 0.0 13 66
492 A 492 THR T t TS+ 0 0 -115.7 -17.6 -177.0 92.7 81.2 48.7 0 0.0 500 -1.9 0 0.0 0 0.0 6 26
498 A 498 TRP W G G > TS+ 0 0 -48.4 -42.3 -177.3 62.8 79.6 35.8 0 0.0 501 -1.4 0 0.0 0 0.0 11 34
499 A 499 SER S G G 3 TS+ 0 0 -63.0 -16.3 -179.9 37.8 111.4 48.8 0 0.0 0 0.0 0 0.0 0 0.0 11 26
500 A 500 GLN Q G G < TS+ 0 0 -116.1 6.5 178.7 103.4 90.4 72.6 497 -1.9 502 -0.7 0 0.0 0 0.0 7 17
501 A 501 ASP D g > X T - 0 0 -91.0 113.1 -178.0 -146.5 66.1 145.7 498 -1.4 505 -3.5 0 0.0 504 -2.4 8 21
502 A 502 SER S T T 4 3 TS+ 0 0 -55.8 -20.2 179.2 52.7 98.7 46.5 500 -0.7 0 0.0 0 0.0 0 0.0 7 21
503 A 503 ASN N T T 4 3 TS+ 0 0 -90.8 -9.3 -178.6 24.2 125.3 55.0 0 0.0 0 0.0 0 0.0 0 0.0 7 27
504 A 504 LYS K T T 4 X TS+ 0 0 -125.5 -23.1 -175.9 96.5 91.1 54.1 501 -2.4 507 -2.6 0 0.0 0 0.0 12 37
505 A 505 SER S T T < 3 TS+ 0 0 -50.0 -23.0 179.7 49.5 87.1 50.1 501 -3.5 0 0.0 0 0.0 0 0.0 10 31
506 A 506 ASP D T T 3 TS+ 0 0 -101.8 12.4 179.9 64.8 103.7 74.1 0 0.0 0 0.0 0 0.0 0 0.0 7 35
507 A 507 ASP D g X T - 0 0 -135.3 91.4 -177.9 -171.3 61.5 144.5 504 -2.6 510 -1.9 0 0.0 0 0.0 7 52
508 A 508 SER S G G > TS+ 0 0 -61.8 -10.5 179.1 87.3 72.7 53.9 0 0.0 511 -2.3 0 0.0 0 0.0 13 50
509 A 509 ARG R G G > TS+ 0 0 -60.2 -24.3 179.4 70.0 76.1 36.8 0 0.0 512 -1.4 0 0.0 0 0.0 12 59
510 A 510 TRP W G G X TS+ 0 0 -66.4 -15.8 178.4 76.8 79.7 46.1 507 -1.9 513 -1.6 0 0.0 0 0.0 10 56
511 A 511 ALA A G G < TS+ 0 0 -61.3 -34.2 -179.6 40.9 100.5 30.7 508 -2.3 495 -2.5 0 0.0 0 0.0 15 56
512 A 512 HIS H G G < TS+ 0 0 -105.3 29.3 177.4 80.9 96.9 89.0 509 -1.4 0 0.0 0 0.0 0 0.0 12 61
513 A 513 ARG R g < T + 0 0 -126.0 57.6 -179.8 162.1 64.1 118.9 510 -1.6 0 0.0 0 0.0 0 0.0 11 60
514 A 514 PRO P - 0 0 -75.2 168.0 178.5 -102.3 38.9 103.9 0 0.0 0 0.0 0 0.0 0 0.0 12 55
515 A 515 ARG R - 0 0 -84.8 166.4 178.2 -71.2 53.0 113.0 0 0.0 0 0.0 0 0.0 0 0.0 7 43
516 A 516 TYR Y - 0 0 -56.3 124.3 -179.8 -137.2 50.5 112.5 107 -2.4 518 -1.0 0 0.0 0 0.0 8 45
517 A 517 ASN N h > T - 0 0 -94.0 100.0 -179.7 -170.9 18.3 140.8 0 0.0 521 -2.3 0 0.0 0 0.0 8 40
518 A 518 GLU E H H > TS+ 0 0 -52.4 -48.9 -179.0 54.5 84.2 24.3 516 -1.0 522 -1.9 0 0.0 0 0.0 6 29
519 A 519 ALA A H H 4 TS+ 0 0 -54.2 -47.9 -179.4 43.6 111.1 25.9 0 0.0 0 0.0 0 0.0 0 0.0 6 25
520 A 520 LEU L H H 4 > TS+ 0 0 -68.1 -42.3 179.8 51.3 112.1 26.0 0 0.0 523 -1.2 0 0.0 0 0.0 11 37
521 A 521 TYR Y H H < > TS+ 0 0 -65.5 -27.8 179.5 58.4 104.8 35.0 517 -2.3 524 -0.9 0 0.0 0 0.0 9 40
522 A 522 ALA A T h < 3 TS+ 0 0 -75.0 -13.3 -179.9 49.8 106.5 50.8 518 -1.9 0 0.0 0 0.0 0 0.0 7 28
523 A 523 GLN Q T T X TS+ 0 0 -103.8 2.0 -176.7 106.2 76.0 68.1 520 -1.2 526 -2.2 0 0.0 0 0.0 10 28
524 A 524 ARG R T T < TS+ 0 0 -60.2 -15.1 179.2 47.4 82.1 49.7 521 -0.9 0 0.0 0 0.0 0 0.0 15 36
525 A 525 ASN N T T 3 TS+ 0 0 -106.0 5.3 179.7 95.1 89.7 69.6 0 0.0 0 0.0 0 0.0 0 0.0 8 28
526 A 526 ASP D t X T - 0 0 -100.8 104.3 -179.6 -162.5 57.9 147.6 523 -2.2 529 -2.0 0 0.0 532 -0.5 9 23
527 A 527 PRO P T T 3 TS+ 0 0 -60.9 -10.7 -179.5 65.7 85.9 54.4 0 0.0 0 0.0 0 0.0 0 0.0 9 25
528 A 528 SER S T T 3 TS+ 0 0 -91.7 -2.8 179.7 73.1 92.6 61.5 0 0.0 0 0.0 0 0.0 0 0.0 6 23
529 A 529 THR T S h > < TS- 0 0 -110.1 157.1 179.0 -122.3 85.2 140.0 526 -2.0 533 -2.3 0 0.0 0 0.0 9 32
530 A 530 ALA A H H > TS+ 0 0 -61.4 -41.4 179.9 53.6 114.8 24.1 0 0.0 534 -2.8 0 0.0 0 0.0 10 46
531 A 531 ALA A H H > TS+ 0 0 -59.1 -46.6 -179.7 44.8 110.9 23.0 0 0.0 535 -2.6 0 0.0 0 0.0 14 48
532 A 532 GLY G H H > TS+ 0 0 -67.4 -36.0 179.4 50.3 113.4 31.6 526 -0.5 536 -2.2 0 0.0 0 0.0 14 37
533 A 533 GLN Q H H X TS+ 0 0 -68.0 -46.3 179.5 43.3 114.5 20.9 529 -2.3 537 -1.7 0 0.0 0 0.0 13 43
534 A 534 ILE I H H X TS+ 0 0 -64.4 -48.8 -178.9 48.3 115.9 18.7 530 -2.8 538 -2.4 0 0.0 0 0.0 15 57
535 A 535 TYR Y H H X TS+ 0 0 -58.9 -51.9 -178.6 45.3 112.9 20.3 531 -2.6 539 -2.9 0 0.0 0 0.0 12 54
536 A 536 GLN Q H H X TS+ 0 0 -64.2 -33.8 179.4 49.5 114.2 30.7 532 -2.2 540 -1.9 0 0.0 0 0.0 11 42
537 A 537 ASP D H H X TS+ 0 0 -72.4 -40.2 178.6 43.1 114.8 25.3 533 -1.7 541 -2.0 0 0.0 0 0.0 9 52
538 A 538 LEU L H H X TS+ 0 0 -70.5 -40.2 -179.9 51.8 113.8 24.6 534 -2.4 542 -2.3 0 0.0 0 0.0 12 64
539 A 539 ARG R H H X TS+ 0 0 -62.3 -38.9 179.2 51.3 109.2 27.3 535 -2.9 543 -2.5 0 0.0 0 0.0 10 58
540 A 540 HIS H H H X TS+ 0 0 -63.4 -47.1 -179.8 47.6 110.3 21.0 536 -1.9 544 -2.5 0 0.0 0 0.0 9 45
541 A 541 MET M H H X TS+ 0 0 -63.5 -35.7 178.8 51.1 111.6 29.9 537 -2.0 545 -2.6 0 0.0 0 0.0 11 58
542 A 542 ILE I H H X TS+ 0 0 -66.1 -43.7 179.6 50.2 109.8 21.8 538 -2.3 546 -2.5 0 0.0 0 0.0 11 58
543 A 543 ALA A H H X TS+ 0 0 -60.5 -44.1 179.5 46.2 112.8 24.8 539 -2.5 547 -1.5 0 0.0 0 0.0 9 40
544 A 544 VAL V H H X TS+ 0 0 -64.9 -47.3 179.8 51.0 111.9 19.7 540 -2.5 548 -2.5 0 0.0 0 0.0 9 48
545 A 545 ARG R H H < TS+ 0 0 -54.9 -49.1 -177.3 45.3 113.0 21.9 541 -2.6 0 0.0 0 0.0 0 0.0 13 56
546 A 546 GLN Q H H < TS+ 0 0 -70.2 -25.6 -178.4 37.7 120.3 41.4 542 -2.5 0 0.0 0 0.0 0 0.0 11 46
547 A 547 SER S H H < TS+ 0 0 -99.6 -23.6 -178.2 77.8 100.3 44.9 543 -1.5 0 0.0 0 0.0 0 0.0 8 30
548 A 548 ASN N h < > T - 0 0 -94.6 115.6 -179.5 -155.7 63.1 142.8 544 -2.5 551 -1.7 0 0.0 0 0.0 9 40
549 A 549 PRO P G G > TS+ 0 0 -63.5 -12.9 179.8 81.9 83.6 51.6 0 0.0 552 -1.5 0 0.0 0 0.0 8 39
550 A 550 ARG R G G 3 TS+ 0 0 -67.0 -13.7 -179.6 54.9 89.5 48.9 0 0.0 0 0.0 0 0.0 0 0.0 8 45
551 A 551 PHE F G G < TS+ 0 0 -96.3 -5.2 -178.2 119.9 82.5 60.4 548 -1.7 0 0.0 0 0.0 0 0.0 14 56
552 A 552 ASP D g < T + 0 0 -61.9 149.7 179.3 19.0 60.3 100.7 549 -1.5 0 0.0 0 0.0 0 0.0 12 46
553 A 553 GLY G S S S- 0 0 83.5 178.6 -179.2 -95.5 83.5 98.2 94 -1.7 480 -0.6 0 0.0 0 0.0 9 50
554 A 554 GLY G S S S+ 0 0 -120.1 7.7 -178.9 106.6 80.6 69.7 0 0.0 0 0.0 0 0.0 0 0.0 12 60
555 A 555 ARG R + 0 0 -91.7 148.4 177.8 169.8 38.4 126.5 0 0.0 0 0.0 0 0.0 0 0.0 11 50
556 A 556 LEU L - 0 0 -151.3 158.7 177.3 -148.4 24.8 170.3 0 0.0 0 0.0 0 0.0 0 0.0 13 51
557 A 557 VAL V E E EM - 570 0 -127.8 128.4 -180.0 -126.8 28.2 178.9 570 -1.8 570 -3.1 0 0.0 0 0.0 9 40
558 A 558 THR T E E EM - 569 0 -76.0 156.7 179.5 -143.3 14.8 113.0 0 0.0 0 0.0 0 0.0 0 0.0 10 45
559 A 559 PHE F e - 0 0 -120.4 128.9 179.4 -127.0 15.6 169.3 568 -2.3 561 -0.8 0 0.0 0 0.0 8 48
560 A 560 ASN N - 0 0 -79.2 110.6 -177.8 -176.7 25.1 132.3 0 0.0 0 0.0 0 0.0 0 0.0 6 40
561 A 561 THR T - 0 0 -81.5 -17.2 -178.1 -135.7 29.8 50.8 559 -0.8 0 0.0 0 0.0 0 0.0 10 48
562 A 562 ASN N S S S+ 0 0 64.4 21.3 176.3 100.2 77.8 45.1 0 0.0 0 0.0 0 0.0 0 0.0 6 33
563 A 563 ASN N t > T - 0 0 -136.6 112.7 -177.6 -147.7 68.3 161.8 0 0.0 566 -2.1 0 0.0 0 0.0 8 43
564 A 564 LYS K T T 3 TS+ 0 0 -59.0 -9.0 -179.8 53.8 97.2 56.5 0 0.0 366 -2.3 0 0.0 0 0.0 9 42
565 A 565 HIS H T e 3 TS+ 0 0 -102.9 -7.6 -177.0 74.0 97.0 59.9 0 0.0 581 -2.9 0 0.0 567 -0.5 11 49
566 A 566 ILE I E E E N< T - 0 580 -116.7 123.0 178.2 -155.3 63.4 158.6 563 -2.1 0 0.0 0 0.0 0 0.0 14 60
567 A 567 ILE I E E E N - 0 579 -89.7 148.9 179.6 -175.0 17.0 130.8 579 -2.4 579 -2.1 565 -0.5 0 0.0 16 67
568 A 568 GLY G E E E N + 0 578 -147.5 141.4 179.0 157.8 10.8 175.7 0 0.0 559 -2.3 0 0.0 0 0.0 13 66
569 A 569 TYR Y E E EMN - 558 577 -158.9 159.0 -177.4 -131.5 27.0 171.0 577 -1.7 577 -2.9 0 0.0 0 0.0 12 58
570 A 570 ILE I E E EMN - 557 576 -122.9 133.2 178.7 -155.0 10.2 163.9 557 -3.1 557 -1.8 0 0.0 0 0.0 13 52
571 A 571 ARG R E E >E N> TS- 0 575 -106.8 131.6 178.6 -16.4 79.1 154.3 575 -2.4 574 -2.7 0 0.0 575 -1.8 14 47
572 A 572 ASN N T T 4 3 TS- 0 0 47.6 30.3 179.6 -79.0 110.8 41.9 0 0.0 0 0.0 0 0.0 0 0.0 10 35
573 A 573 ASN N T T 4 3 TS+ 0 0 50.9 33.0 -178.3 78.1 128.9 36.2 0 0.0 0 0.0 0 0.0 0 0.0 8 33
574 A 574 ALA A T e 4 < TS+ 0 0 -143.0 -15.9 180.0 60.2 77.8 60.7 571 -2.7 627 -1.8 0 0.0 628 -1.1 10 40
575 A 575 LEU L E E T - 0 0 -67.8 155.7 178.4 -122.5 8.3 101.9 587 -0.6 593 -1.4 0 0.0 0 0.0 9 33
590 A 590 ALA A T T 4 TS+ 0 0 -61.7 -34.1 179.6 60.8 115.0 31.5 0 0.0 0 0.0 0 0.0 0 0.0 11 27
591 A 591 HIS H T T 4 > TS+ 0 0 -59.9 -42.0 179.9 47.8 104.2 24.4 0 0.0 594 -1.0 0 0.0 0 0.0 6 23
592 A 592 THR T T T 4 3 TS+ 0 0 -68.0 -29.8 -178.0 49.5 113.1 35.5 0 0.0 0 0.0 0 0.0 0 0.0 9 32
593 A 593 LEU L T T < > TS+ 0 0 -94.1 9.2 -178.0 113.5 73.7 73.4 589 -1.4 596 -1.9 0 0.0 0 0.0 11 37
594 A 594 GLN Q T T < TS+ 0 0 -52.9 -33.3 -178.7 51.2 76.0 40.1 591 -1.0 0 0.0 0 0.0 0 0.0 8 25
595 A 595 ALA A T T 3 TS+ 0 0 -84.6 -6.5 -179.5 91.2 95.3 57.1 0 0.0 0 0.0 0 0.0 0 0.0 5 27
596 A 596 MET M S t < TS- 0 0 -86.3 162.8 179.4 -84.4 91.5 113.4 593 -1.9 0 0.0 0 0.0 0 0.0 8 39
597 A 597 PRO P - 0 0 -62.2 152.0 -178.6 -115.6 41.3 108.7 0 0.0 0 0.0 0 0.0 0 0.0 8 29
598 A 598 PHE F S e S+ 0 0 -61.1 -29.3 179.7 21.5 97.3 37.6 0 0.0 611 -2.7 0 0.0 612 -0.8 7 26
599 A 599 LYS K E E EQ + 610 0 -139.0 152.0 179.3 179.6 66.6 167.0 0 0.0 0 0.0 0 0.0 0 0.0 9 30
600 A 600 ALA A E E EQ - 609 0 -155.0 142.4 179.7 -115.5 29.1 169.5 609 -2.1 609 -3.4 0 0.0 0 0.0 12 37
601 A 601 HIS H E E EQR - 608 626 -80.2 131.1 178.0 -142.2 23.9 128.7 626 -0.6 626 -2.2 0 0.0 603 -0.7 12 32
602 A 602 ASP D E E >E R T - 0 625 -96.5 114.5 -179.0 -164.1 8.0 148.9 607 -2.8 606 -2.2 0 0.0 0 0.0 13 42
603 A 603 LEU L T e 4 TS+ 0 0 -69.7 -22.2 179.9 56.3 85.0 45.5 624 -2.8 0 0.0 601 -0.7 0 0.0 11 47
604 A 604 ILE I T T 4 TS+ 0 0 -74.8 -55.6 -179.3 17.9 124.5 13.9 0 0.0 0 0.0 0 0.0 0 0.0 9 51
605 A 605 GLY G T T 4 TS- 0 0 -90.6 -19.0 179.2 -129.8 97.0 48.7 0 0.0 0 0.0 0 0.0 0 0.0 6 36
606 A 606 GLY G t < T + 0 0 85.0 1.1 -179.6 120.6 65.4 62.4 602 -2.2 0 0.0 0 0.0 0 0.0 7 24
607 A 607 LYS K e - 0 0 -97.7 162.7 178.1 -109.2 68.1 123.9 0 0.0 602 -2.8 0 0.0 0 0.0 7 22
608 A 608 THR T E E EQ - 601 0 -90.1 131.0 -178.7 -151.7 35.7 141.4 0 0.0 0 0.0 0 0.0 0 0.0 8 28
609 A 609 VAL V E E EQ - 600 0 -109.9 138.8 178.4 -133.3 8.7 149.9 600 -3.4 600 -2.1 0 0.0 0 0.0 8 40
610 A 610 A SER S E E EQ - 599 0 -87.9 128.5 -179.3 -178.9 19.5 139.1 0 0.0 0 0.0 0 0.0 0 0.0 9 35
611 A 611 LEU L e + 0 0 -109.1 4.4 179.0 77.7 70.0 69.6 598 -2.7 0 0.0 0 0.0 0 0.0 14 37
612 A 612 ASN N S S S+ 0 0 -99.0 22.8 178.5 46.2 99.1 86.2 598 -0.8 0 0.0 0 0.0 0 0.0 11 25
613 A 613 GLN Q S S S- 0 0 -153.6 163.0 -179.9 -61.5 110.1 163.2 0 0.0 0 0.0 0 0.0 0 0.0 8 25
614 A 614 ASP D - 0 0 -51.9 134.3 179.7 -145.1 49.1 102.7 0 0.0 616 -0.6 0 0.0 0 0.0 10 30
615 A 615 LEU L E E FP - 588 0 -108.1 114.1 -179.4 -163.8 13.5 157.5 588 -3.0 588 -2.8 0 0.0 617 -0.6 10 49
616 A 616 THR T E E FP - 587 0 -105.7 123.0 179.6 -157.5 2.0 151.7 614 -0.6 0 0.0 0 0.0 0 0.0 8 44
617 A 617 LEU L E E FP - 586 0 -96.9 136.7 178.1 -128.7 16.2 141.4 586 -3.3 586 -2.1 615 -0.6 0 0.0 11 46
618 A 618 GLN Q t > T - 0 0 -73.7 168.3 -180.0 -58.6 56.4 106.1 0 0.0 621 -2.4 0 0.0 0 0.0 9 36
619 A 619 PRO P T T 3 TS- 0 0 -52.7 127.3 179.1 -7.6 123.8 105.7 0 0.0 0 0.0 0 0.0 0 0.0 12 41
620 A 620 TYR Y T T 3 TS+ 0 0 60.8 16.1 -179.8 160.0 94.9 53.0 582 -1.5 0 0.0 0 0.0 0 0.0 15 56
621 A 621 GLN Q e < T - 0 0 -71.1 146.1 177.9 -155.1 26.0 112.0 618 -2.4 580 -2.3 0 0.0 0 0.0 10 53
622 A 622 A VAL V E E EO - 579 0 -121.5 137.2 177.8 -168.1 7.2 165.6 0 0.0 0 0.0 0 0.0 0 0.0 12 64
623 A 623 A MET M E E EO - 578 0 -128.0 135.0 178.2 -166.7 11.4 173.0 578 -2.4 578 -2.3 0 0.0 625 -0.6 12 63
624 A 624 TRP W E E EO - 577 0 -119.8 92.5 -176.8 -167.1 21.7 151.3 0 0.0 603 -2.8 0 0.0 0 0.0 12 67
625 A 625 LEU L E E EOR - 576 602 -91.3 127.7 178.6 -141.8 19.1 134.7 576 -3.1 576 -3.1 623 -0.6 627 -1.0 11 55
626 A 626 GLU E E E EOR + 575 601 -86.1 103.8 -179.2 167.5 28.2 138.5 601 -2.2 601 -0.6 0 0.0 0 0.0 11 43
627 A 627 ILE I e 0 0 -99.0 5.9 178.2 999.9 999.9 71.1 574 -1.8 0 0.0 625 -1.0 0 0.0 11 40
628 A 628 ALA A 0 0 -171.7 999.9 999.9 999.9 999.9 159.1 574 -1.1 0 0.0 0 0.0 0 0.0 5 28
1g5aA.pdb
1G5A TRANSFERASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand HHHHHHHHGGGS HHHHHHHHHSHHHHHHHHHHHHHHHHHHHHHHHHHTT TTHHHHHHHHHHHHHHHHHHS HHHHHHHHHHHT GGGGG TT E Kabs/Sand
chirality --+++++++++++--+++++++++-+++++++++++++++++++++++++-+-++++++++++++++++++++--++++++++++++++++++-+++-- chirality
bends SSSSSSSSSSSS SSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSS SSSSSSSSSSSSSSSSSSSSS SSSSSSSSSSSS S SSS SS bends
turns TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >>><<< >>3<< >33< >33X33< >33< >33X>>X<>>>XX<<<< >>>>XXX<<>>XXXXXXX<>XXXXXX<<<< >>>>XXXXXXXXXXXX<<<<>>>>XXXXX<<<< 4-turns
summary hHHHHHHHHhGGghHHHHHHHHHhHHHHHHHHHHHHHHHHHHHHHHHHHhTtThHHHHHHHHHHHHHHHHHHhhHHHHHHHHHHHhgGGGGGgTTteE summary
sequence SPNSQYLKTRILDIYTPEQRAGIEKSEDWRQFSRRMDTHFPKLMNELDSVYGNNEALLPMLEMLLAQAWQSYSQRNSSLKDIDIARENNPDWILSNKQVG sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand EEE HHHHHSSHHHHHHTHHHHHHHT SEEEE B SS STTTTS S SSSB TTT HHHHHHHHHHHHHTT EEEEEE SEEETTSHHHHHHHT Kabs/Sand
chirality -+--++++---+++++++++++++-+++-----++-+--+++---++-++-++---++---+++++++++++++-+---+---++----++-+++++++- chirality
bends SSSSSSSSSSSSSSSSSSSSS S S SS SSSS S S SSS SSS SSSSSSSSSSSSSSS S SSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTTTTTTT TTTTTT TTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTT turns
5-turns >5555< >5555< >5555< >555 5-turns
3-turns >>3X<3< >33< >33< >33< >33< >33 3-turns
bridge-2 bb ccc dddd bridge-2
bridge-1 aaa aaaa A A ccc EEE bridge-1
sheets AAA AAAA AAAAAA BBB sheets
4-turns >>>4<<<>>>><<>>X<<<< >444<>>>>XXXXXXX<<<< >>>>X<<<< 4-turns
summary EEEhHHHHHhhHHHHHHhHHHHHHHhteEEEEe B SS tTTTTt S SSSBtTTTthHHHHHHHHHHHHHhTtEEEEEE eEEEeThHHHHHHHh summary
sequence GVCYVDLFAGDLKGLKDKIPYFQELGLTYLHLMPLFKCPEGKSDGGYAVSSYRDVNPALGTIGDLREVIAALHEAGISAVVDFIFNHTSNEHEWAQRCAA sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand T GGGTTSB EESSSHHHHHHTTT SSTTT STTEEE TTS EEE SSSTTEEEB TTSHHHHHHHHHHHHHHHTTT SEEEETTGGGS TTS SS Kabs/Sand
chirality +-++++++-+----++++++++++--+++++----+----+-+---+++--++----+++-++++++++++++++++-+-+-----+++++-+-++--+- chirality
bends SSSSSSS SSSSSSSSSSSS SSSSS SSS SSS SSSSS SSSSSSSSSSSSSSSSSSSS S S SSS SSS SS bends
turns TTTTTTTT TTTTTTTTTTT TTTTTTTTT TTTT TTTT TTTTTTTTTTTTTTTTTTTTTTT TTTTTTT TTTT turns
5-turns 5< >5555< 5-turns
3-turns <>>3X<3< >>3<< >33< >33< >33< >33< >33X33< >>3<< >3>X3<< >33< 3-turns
bridge-2 GGG hhhh bridge-2
bridge-1 B FF GGG FF EEEB dddd bridge-1
sheets CC CCC CCC BBB AAAA sheets
4-turns >>>><444< >>>>XXXXXXXXX<<<< 4-turns
summary TgGGGgTtBeEESShHHHHHHhTTt StTTTttTeEEEeTTteEEEeSStTeEEEetTThHHHHHHHHHHHHHHHhTTteEEEEegGGGg tTTt SS summary
sequence GDPLFDNFYYIFPDRRMPDQYDRTLREIFPDQHPGGFSQLEDGRWVWTTFNSFQWDLNYSNPWVFRAMAGEMLFLANLGVDILRMDAVAFIWKQMGTSCE sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand S HHHHHHHHHHHHHHHHH TT EEEE S HHHHGGGBSTTSBSEEE HHHHHHHHHHHHH HHHHHHHHHS TT EEEEES SS B Kabs/Sand
chirality +-++++++++++++++++++++-----+++--++++++++-++--+---+++++++++++++-+-++++++++++++---++----+----+----++-- chirality
bends S SSSSSSSSSSSSSSSSS SS S SSSSSSS SSSS S SSSSSSSSSSSSS SSSSSSSSSS SS S SS bends
turns TTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTT TTTTTTTTTTTTTTT TTTTTTTTTTT TTTT T turns
5-turns 5-turns
3-turns >33< >33< >33X>><<<>33< >33< >33< 3-turns
bridge-2 ii jjj kkk bridge-2
bridge-1 hhhh c c ii jjj D bridge-1
sheets AAAA AAA AAAAA sheets
4-turns >>>>XXXXXXXXXXX<<<< >>44<< >>>>XXXXXXX<<<< >>>>XXX<<<< > 4-turns
summary ShHHHHHHHHHHHHHHHHHhTTtEEEEe ShHHHHhTTBtTTtBeEEEhHHHHHHHHHHHHHh hHHHHHHHHHh tTTtEEEEEe SS B h summary
sequence NLPQAHALIRAFNAVMRIAAPAVFFKSEAIVHPDQVVQYIGQDECQIGYNPLQMALLWNTLATREVNLLHQALTYRHNLPEHTAWVNYVRSHDDIGWTFA sequence
310 320 330 340 350 360 370 380 390 400
author author
Kabs/Sand HHHHHHTT HHHHHHHHHHHHTT STT EEE TTT EEE HHHHHTGGGT TTHHHHHHHHHHHHHHSSSEEEEETTGGGT SSGGG Kabs/Sand
chirality ++++++-+--++++++++++++-++-++-+-+-------++-++---+--++++-+++---++++++++++++++++-+------++++------+++++ chirality
bends SSSSSSSS SSSSSSSSSSSSSS SSS SSS SSSSSS SS SSSSSSSSSSSSSSSSSSS SSSSS SSSSS bends
turns TTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTT TTTT turns
5-turns >5555< >5555< >555><555< >5555< 5-turns
3-turns >>3<< >>3<< >33< >33< >>3<<>33< >33< >3>X3<< >>3< 3-turns
bridge-2 D kkk bridge-2
bridge-1 LLL LLL bbb bridge-1
sheets DDD DDD AAAAA sheets
4-turns >>><<<< >>>>XXXXXX<<<< >444< >>>4<<< >>>>XXXXXXXX<<<< 4-turns
summary HHHHHHhTthHHHHHHHHHHHHhTttTTt EEE tTTTt EEE hHHHHHhGGGgtThHHHHHHHHHHHHHHhSSEEEEEegGGGgt SgGGG summary
sequence DEDAAYLGISGYDHRQFLNRFFVNRFDGSFARGVPFQYNPSTGDCRVSGTAAALVGLAQDDPHAVDRIKLLYSIALSTGGLPLIYLGDEVGTLNDDDWSQ sequence
410 420 430 440 450 460 470 480 490 500
author author
Kabs/Sand TTTTT GGGGG HHHHTTTT TTSHHHHHHHHHHHHHHHHHH GGG SS EE S TTEEEEEETTTEEEEEE SSS EEE TTTTTTS SEE Kabs/Sand
chirality -+++++-++++++----++++++++-++-++++++++++++++++++-++++-++------+-++--+----++------+-+------++++++--++- chirality
bends SSSSS SSSSS SSSSSSSS SSSSSSSSSSSSSSSSSSSSS SSS SS S SS SSSS SSS SSSSSSS S bends
turns TTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTT TTTTT TTTTTTTT turns
5-turns 5-turns
3-turns X33X33X>>X<<< >>3X<3X33< >>3<< >33< >33< >3><3< 3-turns
bridge-2 NNNNNN OOOOO bridge-2
bridge-1 MM MM NNNNNN PPP QQ bridge-1
sheets EE EEEEEE EEEEEE FFF EE sheets
4-turns >444< >>44<< >>>>XXXXXXXXXXXX<<<< >444< >444< 4-turns
summary gTTTTTgGGGGGg hHHHHhTTTtTThHHHHHHHHHHHHHHHHHHhGGGgSS EEe StTeEEEEEETTeEEEEEEeSSS EEEtTTTTTTt eEE summary
sequence DSNKSDDSRWAHRPRYNEALYAQRNDPSTAAGQIYQDLRHMIAVRQSNPRFDGGRLVTFNTNNKHIIGYIRNNALLAFGNFSEYPQTVTAHTLQAMPFKA sequence
510 520 530 540 550 560 570 580 590 600
author author
Kabs/Sand EETTT EEE SS EEE TT EEEEE Kabs/Sand
chirality --++-+----++-------+-----+ chirality
bends SSS SS SS bends
turns TTTTT TTTT turns
5-turns 5-turns
3-turns >33< 3-turns
bridge-2 RR RR bridge-2
bridge-1 Q QQQ PPP OOOOO bridge-1
sheets EE EEE FFF EEEEE sheets
4-turns >444< 4-turns
summary EEeTTteEEEeSS EEEtTTeEEEEEe summary
sequence HDLIGGKTVSLNQDLTLQPYQVMWLEIA sequence
610 620