Secondary structure calculation program - copyright by David Keith Smith, 1989
1jipA.pdb
1JIP HYDROLASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 403
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 THR T 0 0 999.9 140.4 -179.9 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 2 12
2 A 3 THR T - 0 0 -64.5 124.1 -179.9 -151.7 999.9 115.9 0 0.0 0 0.0 0 0.0 0 0.0 3 19
3 A 4 VAL V - 0 0 -102.7 122.4 -179.9 -122.7 16.5 151.4 0 0.0 0 0.0 0 0.0 0 0.0 7 31
4 A 5 PRO P - 0 0 -60.1 154.2 179.2 -140.5 13.7 100.0 0 0.0 32 -2.5 0 0.0 6 -0.6 7 38
5 A 6 ASP D B B a > T - 32 0 -120.4 105.3 -178.2 -154.4 1.2 159.7 0 0.0 8 -2.4 0 0.0 0 0.0 8 36
6 A 7 LEU L T T 3 TS+ 0 0 -56.5 -8.3 179.5 63.6 93.4 54.2 32 -2.4 0 0.0 4 -0.6 0 0.0 9 54
7 A 8 GLU E T T 3 TS+ 0 0 -87.8 -23.3 -179.4 97.8 82.7 43.5 0 0.0 0 0.0 0 0.0 0 0.0 7 40
8 A 9 SER S S g X TS- 0 0 -63.3 160.7 -179.0 -106.0 91.4 98.9 5 -2.4 11 -1.8 0 0.0 0 0.0 7 30
9 A 10 ASP D G G > > TS+ 0 0 -64.5 -11.2 -179.9 80.9 110.4 54.4 0 0.0 12 -1.5 0 0.0 13 -1.5 6 24
10 A 11 SER S G G 4 3 TS+ 0 0 -67.1 -22.7 -179.3 46.6 95.4 40.9 0 0.0 0 0.0 0 0.0 0 0.0 9 29
11 A 12 PHE F G G 4 < TS+ 0 0 -104.8 18.0 -179.8 37.8 119.6 81.2 8 -1.8 0 0.0 0 0.0 0 0.0 12 49
12 A 13 HIS H T g 4 < TS+ 0 0 -143.4 -6.5 179.3 64.4 105.8 67.1 9 -1.5 0 0.0 0 0.0 0 0.0 9 43
13 A 14 VAL V S t < TS- 0 0 -127.5 111.5 -178.9 -27.0 131.3 163.3 9 -1.5 0 0.0 0 0.0 0 0.0 6 32
14 A 15 ASP D S h > > TS+ 0 0 49.4 40.2 -177.5 169.7 87.6 25.7 0 0.0 17 -1.7 0 0.0 18 -0.6 8 35
15 A 16 TRP W H H > 3 T + 0 0 -59.5 -21.9 179.5 71.1 58.3 50.9 0 0.0 19 -2.2 0 0.0 0 0.0 9 46
16 A 17 TYR Y H H > 3 TS+ 0 0 -71.1 -16.2 178.8 56.2 95.3 45.1 0 0.0 20 -1.4 0 0.0 0 0.0 9 51
17 A 18 ARG R H H > < TS+ 0 0 -79.3 -35.7 178.5 49.8 106.6 32.0 14 -1.7 21 -1.6 0 0.0 0 0.0 7 36
18 A 19 THR T H H X TS+ 0 0 -66.0 -47.0 179.6 49.6 110.1 21.7 14 -0.6 22 -2.0 0 0.0 0 0.0 10 42
19 A 20 TYR Y H H X TS+ 0 0 -59.2 -40.8 179.9 52.8 109.4 26.7 15 -2.2 23 -2.6 0 0.0 0 0.0 11 55
20 A 21 ALA A H H X TS+ 0 0 -63.8 -35.5 -179.8 50.2 108.5 31.4 16 -1.4 24 -2.0 0 0.0 0 0.0 11 45
21 A 22 GLU E H H X TS+ 0 0 -72.5 -34.8 179.1 44.0 113.8 31.2 17 -1.6 25 -1.0 0 0.0 0 0.0 8 35
22 A 23 LEU L H H X TS+ 0 0 -76.3 -36.7 -179.3 53.4 112.2 30.6 18 -2.0 26 -3.4 0 0.0 0 0.0 11 43
23 A 24 ARG R H H < TS+ 0 0 -64.1 -46.3 -179.3 51.4 106.0 22.0 19 -2.6 0 0.0 0 0.0 0 0.0 11 47
24 A 25 GLU E H H < TS+ 0 0 -60.3 -34.4 179.5 41.0 117.5 31.7 20 -2.0 0 0.0 0 0.0 0 0.0 7 29
25 A 26 THR T H H < TS- 0 0 -77.6 -54.1 179.8 -18.0 140.6 17.8 21 -1.0 0 0.0 0 0.0 0 0.0 6 30
26 A 27 ALA A h < T - 0 0 -160.8 112.9 -179.9 -152.1 47.1 142.7 22 -3.4 0 0.0 0 0.0 0 0.0 7 39
27 A 28 PRO P S e S+ 0 0 -60.4 -9.9 179.1 43.8 96.9 55.2 0 0.0 42 -2.2 0 0.0 43 -1.0 13 51
28 A 29 VAL V E E AA S+ 41 0 -139.9 108.8 -178.8 152.1 79.0 156.0 0 0.0 0 0.0 0 0.0 0 0.0 14 54
29 A 30 THR T E E AA - 40 0 -139.9 160.3 179.7 -101.1 44.4 161.1 40 -2.0 40 -3.1 0 0.0 0 0.0 9 50
30 A 31 PRO P E E AA + 39 0 -77.9 144.3 178.7 173.5 44.3 120.8 0 0.0 0 0.0 0 0.0 0 0.0 10 44
31 A 32 VAL V E E AA - 38 0 -144.0 172.3 179.1 -123.4 27.9 155.3 38 -3.2 38 -2.3 0 0.0 0 0.0 12 44
32 A 33 ARG R E E AAa + 37 5 -119.6 143.7 179.9 160.9 31.9 158.4 4 -2.5 6 -2.4 0 0.0 0 0.0 12 37
33 A 34 PHE F E E AA > T - 36 0 -166.6 123.3 179.6 -8.1 67.5 146.5 36 -1.7 36 -0.8 0 0.0 0 0.0 10 49
34 A 35 LEU L T T 3 TS- 0 0 58.0 32.3 179.4 -55.1 128.0 35.6 0 0.0 0 0.0 0 0.0 0 0.0 8 42
35 A 36 GLY G T T 3 TS+ 0 0 73.2 29.2 178.9 106.2 116.5 36.4 0 0.0 0 0.0 0 0.0 0 0.0 5 31
36 A 37 GLN Q E E AA < T - 33 0 -141.0 148.7 179.4 -118.9 68.6 172.3 33 -0.8 33 -1.7 0 0.0 0 0.0 6 35
37 A 38 ASP D E E AA + 32 0 -84.5 144.0 -180.0 155.5 44.0 128.5 0 0.0 0 0.0 0 0.0 0 0.0 9 38
38 A 39 ALA A E E AA - 31 0 -157.5 174.5 179.9 -108.9 39.2 162.4 31 -2.3 31 -3.2 0 0.0 0 0.0 12 50
39 A 40 TRP W E E AAb - 30 311 -118.8 129.2 -179.8 -154.1 22.8 164.3 310 -2.1 312 -3.4 0 0.0 41 -0.5 13 58
40 A 41 LEU L E E AAb - 29 312 -106.2 126.1 179.5 -159.7 2.2 152.6 29 -3.1 29 -2.0 0 0.0 42 -0.6 13 70
41 A 42 VAL V E E AAb + 28 313 -106.0 115.9 -178.1 158.5 23.1 156.5 312 -2.3 314 -2.5 39 -0.5 0 0.0 13 69
42 A 43 THR T e + 0 0 -114.3 -9.4 179.9 94.0 43.2 60.0 27 -2.2 0 0.0 40 -0.6 0 0.0 17 63
43 A 44 GLY G S h > TS- 0 0 -87.5 146.8 -179.5 -132.3 71.5 128.8 27 -1.0 47 -2.4 0 0.0 0 0.0 12 54
44 A 45 TYR Y H H > TS+ 0 0 -61.0 -55.5 -179.9 44.1 105.3 16.5 0 0.0 48 -2.8 0 0.0 0 0.0 12 55
45 A 46 ASP D H H > TS+ 0 0 -57.7 -40.1 179.6 49.1 116.2 27.8 0 0.0 49 -2.2 0 0.0 0 0.0 7 42
46 A 47 GLU E H H > TS+ 0 0 -67.0 -42.2 179.5 48.0 111.7 26.4 0 0.0 50 -2.8 0 0.0 0 0.0 13 56
47 A 48 ALA A H H X TS+ 0 0 -64.4 -45.0 -179.5 48.4 112.7 21.4 43 -2.4 51 -2.4 0 0.0 0 0.0 14 63
48 A 49 LYS K H H X TS+ 0 0 -61.5 -42.5 179.6 48.4 113.4 23.9 44 -2.8 52 -1.0 0 0.0 0 0.0 10 51
49 A 50 ALA A H H X > TS+ 0 0 -63.4 -48.2 -179.1 50.3 110.5 20.5 45 -2.2 53 -1.1 0 0.0 52 -0.6 9 46
50 A 51 ALA A H H < > TS+ 0 0 -57.8 -46.3 -179.3 49.2 110.2 22.7 46 -2.8 53 -0.8 0 0.0 0 0.0 10 57
51 A 52 LEU L H H < 3 TS+ 0 0 -67.5 -20.3 -179.7 50.7 111.7 44.9 47 -2.4 0 0.0 0 0.0 0 0.0 12 57
52 A 53 SER S H H < < TS+ 0 0 -92.1 -14.2 -178.4 88.6 90.5 52.0 48 -1.0 54 -0.9 49 -0.6 0 0.0 8 39
53 A 54 ASP D h < X T - 0 0 -91.6 105.7 -178.8 -162.7 59.9 138.7 49 -1.1 56 -2.2 50 -0.8 0 0.0 7 41
54 A 55 LEU L T T 3 TS+ 0 0 -67.3 0.6 175.9 80.3 82.1 62.5 52 -0.9 0 0.0 0 0.0 0 0.0 6 42
55 A 56 ARG R T e 3 TS+ 0 0 -75.8 -16.1 177.5 76.0 82.0 46.3 0 0.0 295 -2.1 0 0.0 57 -0.9 8 39
56 A 57 LEU L E E AC < TS- 294 0 -96.4 102.2 -176.8 -150.1 86.8 147.2 53 -2.2 0 0.0 0 0.0 0 0.0 13 54
57 A 58 SER S E E AC - 293 0 -76.5 155.8 179.3 -161.4 24.9 107.4 293 -2.8 293 -2.4 55 -0.9 0 0.0 11 53
58 A 59 SER S + 0 0 -113.1 0.6 -176.3 103.0 63.5 70.8 0 0.0 0 0.0 0 0.0 0 0.0 11 57
59 A 60 ASP D t > T - 0 0 -96.6 104.2 -179.7 -178.0 43.4 140.5 0 0.0 62 -0.7 0 0.0 0 0.0 11 54
60 A 61 PRO P T T 3 TS+ 0 0 -72.5 -12.7 -178.9 67.4 78.3 53.0 0 0.0 0 0.0 0 0.0 0 0.0 11 50
61 A 62 LYS K T T 3 TS+ 0 0 -79.4 -30.9 -178.7 106.6 72.7 37.4 0 0.0 0 0.0 0 0.0 0 0.0 6 47
62 A 63 LYS K t < T - 0 0 -53.6 142.8 -179.4 -140.6 61.8 98.2 59 -0.7 0 0.0 0 0.0 0 0.0 5 40
63 A 64 LYS K - 0 0 -110.0 135.3 178.5 -168.6 14.8 153.9 0 0.0 0 0.0 0 0.0 0 0.0 6 28
64 A 65 TYR Y t > T - 0 0 -123.6 141.4 -179.9 -86.0 39.8 164.2 0 0.0 67 -1.9 0 0.0 0 0.0 6 24
65 A 66 PRO P T T 3 TS- 0 0 -47.3 118.7 178.2 -11.2 105.7 100.8 0 0.0 0 0.0 0 0.0 0 0.0 4 14
66 A 67 GLY G T T 3 TS+ 0 0 64.0 22.7 179.5 115.4 105.9 48.1 0 0.0 0 0.0 0 0.0 0 0.0 4 12
67 A 68 VAL V t < T - 0 0 -127.9 142.1 179.8 -149.1 52.8 165.4 64 -1.9 69 -0.7 0 0.0 0 0.0 7 22
68 A 69 GLU E - 0 0 -110.1 95.4 -179.8 -157.2 14.7 146.9 0 0.0 70 -0.6 0 0.0 0 0.0 5 27
69 A 70 VAL V + 0 0 -75.7 115.6 179.6 171.6 17.7 126.8 67 -0.7 0 0.0 0 0.0 0 0.0 6 45
70 A 71 GLU E - 0 0 -128.5 93.2 -178.6 -163.2 14.1 147.2 68 -0.6 0 0.0 0 0.0 0 0.0 7 49
71 A 72 PHE F g > T - 0 0 -81.8 142.0 -179.7 -124.1 24.0 122.2 0 0.0 74 -1.7 0 0.0 0 0.0 9 59
72 A 73 PRO P G G > TS+ 0 0 -45.9 -54.4 -179.1 60.5 105.8 29.3 0 0.0 75 -2.0 0 0.0 0 0.0 7 63
73 A 74 ALA A G G 3 TS+ 0 0 -54.2 -18.1 -178.8 49.4 105.8 50.3 0 0.0 0 0.0 0 0.0 0 0.0 6 65
74 A 75 TYR Y G G X TS+ 0 0 -113.9 27.7 178.3 152.3 74.8 89.0 71 -1.7 77 -2.0 0 0.0 0 0.0 8 61
75 A 76 LEU L T g < TS+ 0 0 -58.8 126.2 177.8 6.0 75.1 112.7 72 -2.0 0 0.0 0 0.0 0 0.0 12 45
76 A 77 GLY G T T 3 TS+ 0 0 79.0 6.4 -179.4 138.2 93.1 58.9 0 0.0 0 0.0 0 0.0 0 0.0 8 38
77 A 78 PHE F t < T - 0 0 -89.4 127.8 178.8 -128.1 53.2 136.6 74 -2.0 0 0.0 0 0.0 0 0.0 12 44
78 A 79 PRO P h > T - 0 0 -65.9 158.2 -177.9 -104.4 34.9 110.4 0 0.0 82 -2.0 0 0.0 0 0.0 7 33
79 A 80 GLU E H H > TS+ 0 0 -56.7 -34.0 -179.6 52.1 118.5 34.5 0 0.0 83 -1.7 0 0.0 0 0.0 6 33
80 A 81 ASP D H H > TS+ 0 0 -72.7 -37.6 178.7 45.9 110.3 27.9 0 0.0 84 -1.2 0 0.0 0 0.0 7 31
81 A 82 VAL V H H > TS+ 0 0 -72.6 -28.4 178.6 58.9 108.9 35.3 0 0.0 85 -1.1 0 0.0 0 0.0 11 46
82 A 83 ARG R H H X > TS+ 0 0 -62.8 -46.2 -179.8 51.7 102.9 20.7 78 -2.0 86 -1.7 0 0.0 85 -0.6 10 49
83 A 84 ASN N H H < 3 TS+ 0 0 -60.0 -35.6 178.7 52.2 107.4 32.6 79 -1.7 0 0.0 0 0.0 0 0.0 10 47
84 A 85 TYR Y H H < 3 TS+ 0 0 -71.4 -24.4 179.4 44.8 113.6 40.0 80 -1.2 0 0.0 0 0.0 0 0.0 12 49
85 A 86 PHE F H H < < TS+ 0 0 -88.0 -22.4 -176.0 46.1 117.7 45.8 81 -1.1 0 0.0 82 -0.6 0 0.0 10 58
86 A 87 ALA A S h < TS+ 0 0 -117.1 36.4 177.9 88.6 81.7 96.0 82 -1.7 0 0.0 0 0.0 0 0.0 13 56
87 A 88 THR T S S S+ 0 0 -127.3 57.3 179.7 85.0 73.6 116.1 0 0.0 0 0.0 0 0.0 0 0.0 12 46
88 A 89 ASN N S g > TS- 0 0 -144.2 177.5 -177.3 -79.0 94.9 149.9 0 0.0 91 -1.1 0 0.0 0 0.0 13 55
89 A 90 MET M G G > TS+ 0 0 -50.8 -48.7 -177.9 52.9 123.8 26.3 0 0.0 92 -1.4 0 0.0 0 0.0 13 54
90 A 91 GLY G G G 3 TS+ 0 0 -61.0 -26.3 -178.0 46.7 111.8 39.5 0 0.0 0 0.0 0 0.0 0 0.0 9 64
91 A 92 THR T G G < TS+ 0 0 -109.6 35.1 178.7 71.6 103.3 96.9 88 -1.1 0 0.0 0 0.0 0 0.0 11 56
92 A 93 SER S g < T - 0 0 -145.3 161.5 179.8 -137.4 63.1 164.2 89 -1.4 0 0.0 0 0.0 0 0.0 14 46
93 A 94 ASP D t > > T - 0 0 -114.4 164.5 179.2 -44.5 48.3 137.7 0 0.0 97 -2.2 0 0.0 96 -0.8 11 39
94 A 95 PRO P T T 4 3 TS+ 0 0 -62.0 151.7 0.1 27.6 117.9 110.8 0 0.0 0 0.0 0 0.0 0 0.0 6 34
95 A 96 PRO P T h > 3 TS+ 0 0 -84.2 -10.5 -179.9 42.1 130.3 174.2 0 0.0 99 -1.6 0 0.0 0 0.0 6 27
96 A 97 THR T H H > < TS+ 0 0 -59.7 -46.5 179.4 52.9 114.7 20.8 93 -0.8 100 -2.1 0 0.0 0 0.0 9 38
97 A 98 HIS H H H X TS+ 0 0 -54.2 -45.8 -179.2 58.2 105.1 23.1 93 -2.2 101 -2.5 0 0.0 0 0.0 13 42
98 A 99 THR T H H > TS+ 0 0 -53.4 -51.1 -179.2 39.8 109.1 26.1 0 0.0 102 -1.6 0 0.0 0 0.0 10 36
99 A 100 ARG R H H X TS+ 0 0 -72.3 -35.6 178.7 53.0 113.9 28.9 95 -1.6 103 -2.5 0 0.0 0 0.0 9 36
100 A 101 LEU L H H X TS+ 0 0 -62.7 -45.1 -179.6 45.8 112.4 20.1 96 -2.1 104 -2.1 0 0.0 0 0.0 11 51
101 A 102 ARG R H H X TS+ 0 0 -66.6 -33.6 179.1 51.1 112.4 32.8 97 -2.5 105 -2.1 0 0.0 0 0.0 9 46
102 A 103 LYS K H H X TS+ 0 0 -70.1 -43.2 179.7 47.3 111.0 24.7 98 -1.6 106 -0.7 0 0.0 0 0.0 8 39
103 A 104 LEU L H H < > TS+ 0 0 -64.7 -44.8 -179.4 43.6 116.0 21.8 99 -2.5 106 -0.6 0 0.0 0 0.0 15 42
104 A 105 VAL V H H X > TS+ 0 0 -68.0 -41.3 179.6 59.8 107.0 25.0 100 -2.1 108 -3.0 0 0.0 107 -1.9 9 54
105 A 106 SER S H H < 3 TS+ 0 0 -60.4 -17.8 179.2 70.5 92.6 47.8 101 -2.1 0 0.0 0 0.0 0 0.0 9 44
106 A 107 GLN Q T h < < TS+ 0 0 -70.7 -26.1 -179.6 17.6 117.6 39.0 102 -0.7 0 0.0 103 -0.6 0 0.0 8 36
107 A 108 GLU E T T 4 < TS+ 0 0 -116.4 -29.8 178.9 71.1 112.8 48.8 104 -1.9 109 -1.8 0 0.0 0 0.0 11 42
108 A 109 PHE F S t < TS+ 0 0 -89.6 75.2 -176.8 155.3 79.7 125.6 104 -3.0 0 0.0 0 0.0 0 0.0 9 48
109 A 110 THR T h > T - 0 0 -103.8 168.8 178.2 -114.8 62.1 121.2 107 -1.8 113 -1.8 0 0.0 0 0.0 8 34
110 A 111 VAL V H H > TS+ 0 0 -66.4 -37.5 179.0 57.3 117.9 29.4 0 0.0 114 -3.2 0 0.0 0 0.0 7 25
111 A 112 ARG R H H > TS+ 0 0 -58.5 -50.1 -179.6 46.5 107.0 17.8 0 0.0 115 -2.3 0 0.0 0 0.0 6 24
112 A 113 ARG R H H 4 TS+ 0 0 -60.5 -38.6 179.4 48.2 114.6 28.5 0 0.0 0 0.0 0 0.0 0 0.0 9 37
113 A 114 VAL V H H < > TS+ 0 0 -67.8 -47.0 179.4 48.1 111.7 21.6 109 -1.8 116 -1.2 0 0.0 0 0.0 11 42
114 A 115 GLU E H H < > TS+ 0 0 -62.2 -34.7 -179.5 63.5 102.7 31.8 110 -3.2 117 -1.8 0 0.0 0 0.0 7 31
115 A 116 ALA A T h < 3 TS+ 0 0 -63.5 -18.8 -179.9 56.5 99.3 45.1 111 -2.3 0 0.0 0 0.0 0 0.0 7 27
116 A 117 MET M T h > < TS+ 0 0 -89.8 -7.1 -177.7 95.8 78.8 60.0 113 -1.2 120 -2.7 0 0.0 0 0.0 8 43
117 A 118 ARG R H H > < TS+ 0 0 -52.7 -53.1 180.0 48.9 82.5 22.1 114 -1.8 121 -2.5 0 0.0 0 0.0 9 35
118 A 119 PRO P H H > TS+ 0 0 -55.4 -39.0 179.9 48.7 114.0 24.9 0 0.0 122 -2.2 0 0.0 0 0.0 7 27
119 A 120 ARG R H H > TS+ 0 0 -66.9 -42.8 179.2 50.8 109.3 23.8 0 0.0 123 -2.8 0 0.0 0 0.0 7 34
120 A 121 VAL V H H X TS+ 0 0 -61.9 -37.8 179.3 49.3 111.9 27.5 116 -2.7 124 -1.8 0 0.0 0 0.0 12 47
121 A 122 GLU E H H X TS+ 0 0 -67.4 -42.9 179.7 48.6 111.0 23.8 117 -2.5 125 -2.1 0 0.0 0 0.0 10 41
122 A 123 GLN Q H H X TS+ 0 0 -62.1 -49.0 179.3 49.6 111.3 18.7 118 -2.2 126 -2.6 0 0.0 0 0.0 8 32
123 A 124 ILE I H H X TS+ 0 0 -57.2 -40.0 -179.7 51.7 110.2 29.4 119 -2.8 127 -2.1 0 0.0 0 0.0 10 39
124 A 125 THR T H H X TS+ 0 0 -64.6 -43.4 -179.7 48.6 110.0 24.3 120 -1.8 128 -2.0 0 0.0 0 0.0 13 47
125 A 126 ALA A H H X TS+ 0 0 -62.8 -47.0 -179.8 50.6 110.7 20.6 121 -2.1 129 -1.8 0 0.0 0 0.0 9 38
126 A 127 GLU E H H X TS+ 0 0 -59.5 -41.9 179.9 49.3 110.0 27.8 122 -2.6 130 -1.6 0 0.0 0 0.0 8 30
127 A 128 LEU L H H < TS+ 0 0 -66.4 -37.9 -179.9 49.8 111.3 27.8 123 -2.1 0 0.0 0 0.0 0 0.0 11 41
128 A 129 LEU L H H X > TS+ 0 0 -72.3 -27.5 177.9 56.1 105.6 37.9 124 -2.0 132 -0.7 0 0.0 131 -0.5 10 46
129 A 130 ASP D H H < > TS+ 0 0 -66.0 -42.2 -178.6 55.8 105.0 22.2 125 -1.8 132 -0.8 0 0.0 0 0.0 7 28
130 A 131 GLU E T h < 3 TS+ 0 0 -65.0 -17.3 -178.8 61.4 97.9 54.3 126 -1.6 0 0.0 0 0.0 0 0.0 6 30
131 A 132 VAL V T T 4 < TS- 0 0 -85.8 -25.3 179.7 -136.2 97.6 40.9 128 -0.5 0 0.0 0 0.0 0 0.0 8 36
132 A 133 GLY G t < < T - 0 0 104.3 -167.5 -179.4 -89.4 17.5 127.2 129 -0.8 0 0.0 128 -0.7 0 0.0 7 31
133 A 134 ASP D S S S+ 0 0 -133.7 12.3 179.5 40.2 98.0 78.0 0 0.0 0 0.0 0 0.0 0 0.0 7 31
134 A 135 SER S S S S+ 0 0 -160.1 150.3 178.9 30.8 85.3 170.2 0 0.0 0 0.0 0 0.0 0 0.0 7 27
135 A 136 GLY G S e S- 0 0 100.6 -174.0 -179.6 -48.9 83.7 115.9 0 0.0 401 -2.6 0 0.0 0 0.0 8 27
136 A 137 VAL V E E BD + 400 0 -107.5 133.1 177.7 167.9 52.4 151.2 0 0.0 0 0.0 0 0.0 0 0.0 9 30
137 A 138 VAL V E E BD - 399 0 -139.5 155.8 177.2 -109.5 44.2 164.4 399 -1.9 399 -2.4 0 0.0 139 -1.1 10 39
138 A 139 ASP D E E >BD T - 398 0 -84.7 104.1 -178.0 -163.0 31.3 141.8 0 0.0 142 -2.3 0 0.0 0 0.0 10 42
139 A 140 ILE I H H > >TS+ 0 0 -64.5 -19.3 178.9 57.4 84.4 45.2 397 -2.1 144 -2.2 137 -1.1 143 -0.9 12 60
140 A 141 VAL V H H 4 >TS+ 0 0 -75.2 -51.4 -179.7 38.9 111.2 16.4 0 0.0 145 -2.5 0 0.0 0 0.0 13 55
141 A 142 ASP D H H 4 5TS+ 0 0 -64.7 -41.0 -177.1 40.2 124.2 26.0 0 0.0 0 0.0 0 0.0 0 0.0 10 39
142 A 143 ARG R H H < 5TS- 0 0 -88.6 -7.3 -176.9 -5.4 137.1 55.3 138 -2.3 0 0.0 0 0.0 0 0.0 11 44
143 A 144 PHE F T h X 5TS+ 0 0 -146.6 -67.0 -178.8 54.2 119.9 61.9 139 -0.9 147 -2.0 0 0.0 0 0.0 11 62
144 A 145 ALA A T T 4 TS+ 0 0 -62.1 -36.9 -178.3 63.9 104.2 34.1 0 0.0 150 -2.5 0 0.0 0 0.0 9 62
147 A 148 LEU L H H X TS+ 0 0 -56.3 -59.7 -179.8 37.6 106.7 16.1 143 -2.0 151 -2.2 0 0.0 0 0.0 12 62
148 A 149 PRO P H H > TS+ 0 0 -64.1 -31.6 179.3 56.0 115.7 35.2 0 0.0 152 -2.7 0 0.0 0 0.0 14 65
149 A 150 ILE I H H X TS+ 0 0 -66.0 -45.7 -179.9 45.6 108.4 21.2 145 -1.2 153 -1.8 0 0.0 0 0.0 10 60
150 A 151 LYS K H H X TS+ 0 0 -64.0 -41.5 -179.9 50.0 114.8 22.5 146 -2.5 154 -1.7 0 0.0 0 0.0 9 54
151 A 152 VAL V H H X TS+ 0 0 -61.9 -50.9 -178.8 44.4 112.1 19.6 147 -2.2 155 -1.8 0 0.0 0 0.0 10 60
152 A 153 ILE I H H X TS+ 0 0 -67.1 -28.5 179.4 54.5 111.6 37.4 148 -2.7 156 -1.9 0 0.0 0 0.0 11 64
153 A 154 CYS C H H X >TS+ 0 0 -74.5 -34.4 178.2 46.7 109.0 32.2 149 -1.8 158 -3.0 0 0.0 157 -0.6 11 51
154 A 155 GLU E H H < 5TS+ 0 0 -73.5 -33.1 179.8 51.2 112.9 30.4 150 -1.7 0 0.0 0 0.0 0 0.0 10 48
155 A 156 LEU L H H < 5TS+ 0 0 -69.0 -39.8 -178.8 34.9 119.3 26.6 151 -1.8 210 -2.6 0 0.0 0 0.0 10 59
156 A 157 LEU L H H < 5TS- 0 0 -96.3 1.5 -180.0 -113.7 112.0 67.5 152 -1.9 0 0.0 0 0.0 0 0.0 10 58
157 A 158 GLY G T h < 5T + 0 0 68.9 38.2 179.5 158.9 58.4 28.5 153 -0.6 159 -0.5 0 0.0 0 0.0 9 47
158 A 159 VAL V t T - 0 0 -70.5 160.6 179.8 -120.4 13.9 101.5 157 -0.5 163 -0.5 0 0.0 0 0.0 8 33
160 A 161 GLU E T T 4 > TS+ 0 0 -67.3 -38.3 179.5 68.1 108.1 30.9 0 0.0 162 -2.1 0 0.0 163 -1.1 5 25
161 A 162 LYS K T T 4 3 TS+ 0 0 -79.8 53.3 179.6 45.1 103.9 107.0 0 0.0 0 0.0 0 0.0 0 0.0 5 18
162 A 163 TYR Y T T > 3 TS+ 0 0 -162.1 -25.4 179.3 86.3 95.7 78.5 160 -2.1 166 -1.2 0 0.0 0 0.0 8 34
163 A 164 ARG R T T < < TS+ 0 0 -76.5 177.2 -179.1 47.1 75.3 99.6 160 -1.1 165 -1.9 159 -0.5 0 0.0 9 39
164 A 165 GLY G T h > TS+ 0 0 83.6 -57.6 178.7 56.9 111.1 109.4 0 0.0 168 -0.7 0 0.0 0 0.0 7 34
165 A 166 GLU E H H > > TS+ 0 0 -68.4 -55.0 -179.6 50.0 104.7 11.9 163 -1.9 168 -1.8 0 0.0 169 -1.4 7 35
166 A 167 PHE F H H X 3 TS+ 0 0 -50.0 -42.9 180.0 56.1 106.8 29.2 162 -1.2 170 -2.4 0 0.0 0 0.0 9 48
167 A 168 GLY G H H > 3 TS+ 0 0 -63.1 -23.9 179.6 57.4 101.8 41.7 0 0.0 171 -1.6 0 0.0 0 0.0 9 53
168 A 169 ARG R H H X < TS+ 0 0 -73.3 -39.4 179.9 43.2 110.2 27.1 165 -1.8 172 -1.1 164 -0.7 0 0.0 8 35
169 A 170 TRP W H H X TS+ 0 0 -72.5 -40.8 179.6 56.7 109.3 28.3 165 -1.4 173 -1.8 0 0.0 0 0.0 12 44
170 A 171 SER S H H X TS+ 0 0 -54.9 -49.7 -178.9 52.3 105.6 20.6 166 -2.4 174 -1.1 0 0.0 0 0.0 13 56
171 A 172 SER S H H X TS+ 0 0 -56.8 -39.0 -179.7 51.8 106.6 33.1 167 -1.6 175 -0.5 0 0.0 0 0.0 9 53
172 A 173 GLU E H H < > TS+ 0 0 -67.1 -39.1 -179.1 55.6 106.0 27.3 168 -1.1 175 -1.0 0 0.0 0 0.0 10 45
173 A 174 ILE I H H < 3 TS+ 0 0 -66.6 -24.2 -179.3 67.3 95.0 41.8 169 -1.8 0 0.0 0 0.0 0 0.0 10 56
174 A 175 LEU L H H < 3 TS+ 0 0 -69.7 -24.8 179.5 67.7 93.2 39.6 170 -1.1 0 0.0 0 0.0 0 0.0 9 57
175 A 176 VAL V h < < T - 0 0 -98.9 140.8 -179.7 -159.4 66.1 141.2 172 -1.0 177 -0.6 171 -0.5 0 0.0 9 52
176 A 177 MET M + 0 0 -121.5 87.8 -179.7 153.7 28.2 144.2 0 0.0 0 0.0 0 0.0 0 0.0 12 50
177 A 178 ASP D g > T - 0 0 -118.7 114.8 -179.7 -145.9 39.5 165.7 175 -0.6 180 -2.2 0 0.0 0 0.0 7 41
178 A 179 PRO P G G > TS+ 0 0 -51.5 -24.6 179.7 62.5 98.7 43.9 0 0.0 181 -0.8 0 0.0 0 0.0 7 34
179 A 180 GLU E G G 3 TS+ 0 0 -74.0 -24.8 -179.5 38.6 110.4 39.7 0 0.0 0 0.0 0 0.0 0 0.0 5 21
180 A 181 ARG R G h > < TS+ 0 0 -109.5 17.4 -178.8 119.7 77.4 81.6 177 -2.2 184 -2.5 0 0.0 0 0.0 8 28
181 A 182 ALA A H H > < TS+ 0 0 -50.9 -37.6 -178.9 52.1 76.3 32.3 178 -0.8 185 -2.3 0 0.0 0 0.0 11 34
182 A 183 GLU E H H > TS+ 0 0 -67.7 -47.2 178.8 46.0 109.5 21.9 0 0.0 186 -2.0 0 0.0 0 0.0 8 28
183 A 184 GLN Q H H > TS+ 0 0 -62.2 -37.7 -179.9 52.0 113.3 27.9 0 0.0 187 -2.7 0 0.0 0 0.0 8 29
184 A 185 ARG R H H X TS+ 0 0 -64.2 -43.6 179.4 49.1 109.2 23.1 180 -2.5 188 -1.9 0 0.0 0 0.0 14 40
185 A 186 GLY G H H X TS+ 0 0 -64.5 -33.2 179.5 49.8 112.1 32.4 181 -2.3 189 -1.3 0 0.0 0 0.0 12 41
186 A 187 GLN Q H H X TS+ 0 0 -72.6 -42.4 179.4 50.7 108.1 25.5 182 -2.0 190 -1.8 0 0.0 0 0.0 9 40
187 A 188 ALA A H H X TS+ 0 0 -62.7 -34.5 -179.6 53.8 109.2 29.5 183 -2.7 191 -1.9 0 0.0 0 0.0 12 42
188 A 189 ALA A H H X TS+ 0 0 -68.6 -35.3 178.7 51.0 106.1 32.2 184 -1.9 192 -2.0 0 0.0 0 0.0 12 49
189 A 190 ARG R H H X TS+ 0 0 -69.5 -34.8 178.6 54.1 108.2 29.9 185 -1.3 193 -2.3 0 0.0 0 0.0 9 43
190 A 191 GLU E H H X TS+ 0 0 -64.2 -43.5 -179.5 47.7 108.6 24.9 186 -1.8 194 -2.2 0 0.0 0 0.0 9 42
191 A 192 VAL V H H X TS+ 0 0 -66.6 -39.4 178.5 51.0 110.9 25.7 187 -1.9 195 -2.5 0 0.0 0 0.0 12 54
192 A 193 VAL V H H X TS+ 0 0 -61.6 -45.3 -180.0 48.7 111.1 20.6 188 -2.0 196 -2.5 0 0.0 0 0.0 11 50
193 A 194 ASN N H H X TS+ 0 0 -61.5 -40.6 179.5 50.5 111.2 27.6 189 -2.3 197 -1.8 0 0.0 0 0.0 8 39
194 A 195 PHE F H H X TS+ 0 0 -63.8 -47.0 -179.7 47.1 111.3 21.7 190 -2.2 198 -2.2 0 0.0 0 0.0 8 45
195 A 196 ILE I H H X TS+ 0 0 -62.6 -45.4 179.8 54.7 108.5 23.2 191 -2.5 199 -2.9 0 0.0 0 0.0 11 56
196 A 197 LEU L H H X TS+ 0 0 -55.4 -43.0 179.8 45.1 111.8 23.4 192 -2.5 200 -2.0 0 0.0 0 0.0 9 43
197 A 198 ASP D H H X TS+ 0 0 -68.4 -38.6 180.0 51.5 112.2 28.9 193 -1.8 201 -2.0 0 0.0 0 0.0 8 36
198 A 199 LEU L H H X TS+ 0 0 -64.7 -45.9 -179.6 47.7 110.6 22.0 194 -2.2 202 -2.2 0 0.0 0 0.0 9 49
199 A 200 VAL V H H X TS+ 0 0 -61.6 -47.7 -179.4 48.9 112.1 20.4 195 -2.9 203 -2.3 0 0.0 0 0.0 10 46
200 A 201 GLU E H H X TS+ 0 0 -59.8 -41.5 180.0 50.6 111.3 26.1 196 -2.0 204 -1.4 0 0.0 0 0.0 8 33
201 A 202 ARG R H H X TS+ 0 0 -64.2 -39.3 -179.5 49.4 110.6 26.9 197 -2.0 205 -1.8 0 0.0 0 0.0 8 31
202 A 203 ARG R H H < TS+ 0 0 -69.5 -36.3 178.7 55.3 105.6 30.0 198 -2.2 0 0.0 0 0.0 0 0.0 11 34
203 A 204 ARG R H H < TS+ 0 0 -62.5 -34.0 -179.1 44.5 113.3 32.0 199 -2.3 0 0.0 0 0.0 0 0.0 9 32
204 A 205 THR T H H < TS+ 0 0 -79.7 -33.9 -178.9 31.4 124.6 36.0 200 -1.4 0 0.0 0 0.0 0 0.0 6 20
205 A 206 GLU E S h < TS- 0 0 -129.5 76.3 180.0 -162.5 83.5 131.5 201 -1.8 0 0.0 0 0.0 0 0.0 6 23
206 A 207 PRO P + 0 0 -56.6 154.1 179.5 168.8 14.7 96.0 0 0.0 0 0.0 0 0.0 0 0.0 7 25
207 A 208 GLY G - 0 0 -147.1 -163.6 179.9 -88.0 50.2 135.6 0 0.0 0 0.0 0 0.0 0 0.0 6 27
208 A 209 ASP D S S S+ 0 0 -102.4 13.2 -179.6 113.9 86.0 75.7 0 0.0 0 0.0 0 0.0 0 0.0 6 29
209 A 210 ASP D S h > TS- 0 0 -77.6 171.2 -179.6 -102.3 81.9 101.4 0 0.0 213 -1.8 0 0.0 0 0.0 10 42
210 A 211 LEU L H H > TS+ 0 0 -64.0 -40.6 -179.8 54.2 118.3 29.3 155 -2.6 214 -2.6 0 0.0 0 0.0 11 53
211 A 212 LEU L H H > TS+ 0 0 -62.3 -40.6 179.0 49.7 108.8 25.2 0 0.0 215 -1.4 0 0.0 0 0.0 12 57
212 A 213 SER S H H > TS+ 0 0 -63.5 -42.6 -179.7 48.7 111.8 23.9 0 0.0 216 -0.9 0 0.0 0 0.0 12 45
213 A 214 ALA A H H X > TS+ 0 0 -65.2 -40.4 179.3 52.4 108.8 26.8 209 -1.8 217 -1.0 0 0.0 216 -0.6 10 43
214 A 215 LEU L H H < 3 TS+ 0 0 -65.1 -28.3 -179.4 62.0 102.6 37.6 210 -2.6 0 0.0 0 0.0 0 0.0 12 55
215 A 216 ILE I H H < 3 TS+ 0 0 -68.5 -31.9 -179.3 30.7 114.2 36.0 211 -1.4 0 0.0 0 0.0 0 0.0 9 46
216 A 217 ARG R H H < < TS+ 0 0 -108.1 -0.3 179.3 122.0 87.9 64.4 212 -0.9 0 0.0 213 -0.6 0 0.0 7 37
217 A 218 VAL V h < T + 0 0 -63.8 136.6 179.0 165.7 36.2 113.2 213 -1.0 225 -0.6 0 0.0 0 0.0 11 38
218 A 219 GLN Q E E CE - 224 0 -153.3 151.4 -179.3 -153.0 23.6 172.9 0 0.0 0 0.0 0 0.0 0 0.0 9 28
219 A 220 ASP D E E >CE T - 223 0 -130.3 142.4 -179.5 -125.8 24.3 167.1 223 -3.2 223 -2.1 0 0.0 0 0.0 8 23
220 A 221 ASP D T T 4 TS+ 0 0 -48.3 -51.9 -178.6 19.7 110.9 25.3 0 0.0 0 0.0 0 0.0 0 0.0 5 14
221 A 222 ASP D T T 4 TS+ 0 0 -89.9 -40.5 -178.7 43.9 130.7 31.4 0 0.0 0 0.0 0 0.0 0 0.0 4 17
222 A 223 ASP D T T 4 TS- 0 0 -85.3 -6.2 179.7 -158.2 89.4 58.9 0 0.0 0 0.0 0 0.0 0 0.0 8 25
223 A 224 GLY G E E T - 0 0 -77.0 170.3 -179.7 -101.0 29.3 107.8 0 0.0 230 -2.8 0 0.0 0 0.0 6 38
227 A 228 ALA A H H > TS+ 0 0 -59.2 -42.1 -179.7 45.7 125.0 27.0 0 0.0 231 -2.4 0 0.0 0 0.0 6 39
228 A 229 ASP D H H > TS+ 0 0 -69.2 -40.0 179.3 49.3 113.1 28.8 0 0.0 232 -2.6 0 0.0 0 0.0 9 39
229 A 230 GLU E H H > TS+ 0 0 -65.9 -41.1 179.4 49.7 111.9 25.1 0 0.0 233 -2.2 0 0.0 0 0.0 10 51
230 A 231 LEU L H H X TS+ 0 0 -61.0 -51.4 -179.4 47.1 112.5 17.8 226 -2.8 234 -2.4 0 0.0 0 0.0 11 57
231 A 232 THR T H H X TS+ 0 0 -58.7 -47.7 -178.4 46.4 113.4 22.6 227 -2.4 235 -2.2 0 0.0 0 0.0 12 54
232 A 233 SER S H H X TS+ 0 0 -66.1 -37.8 179.6 50.4 112.6 27.8 228 -2.6 236 -2.3 0 0.0 0 0.0 14 55
233 A 234 ILE I H H X TS+ 0 0 -66.3 -42.6 179.2 48.7 110.9 25.1 229 -2.2 237 -2.0 0 0.0 0 0.0 11 63
234 A 235 ALA A H H X TS+ 0 0 -62.4 -44.6 -179.5 51.1 111.1 20.6 230 -2.4 238 -2.3 0 0.0 0 0.0 10 66
235 A 236 LEU L H H X TS+ 0 0 -56.9 -49.3 -179.5 46.7 111.7 22.3 231 -2.2 239 -2.1 0 0.0 0 0.0 13 62
236 A 237 VAL V H H X TS+ 0 0 -65.0 -34.8 179.9 50.1 111.8 34.9 232 -2.3 240 -2.0 0 0.0 0 0.0 10 66
237 A 238 LEU L H H X TS+ 0 0 -72.8 -41.2 -179.6 46.3 112.2 25.7 233 -2.0 241 -2.2 0 0.0 0 0.0 8 66
238 A 239 LEU L H H X TS+ 0 0 -67.4 -39.6 179.7 52.1 112.2 25.4 234 -2.3 242 -1.8 0 0.0 0 0.0 11 68
239 A 240 LEU L H H X TS+ 0 0 -61.6 -46.7 178.8 46.9 110.9 22.8 235 -2.1 243 -1.3 0 0.0 0 0.0 9 69
240 A 241 ALA A H H X >TS+ 0 0 -62.7 -41.9 179.4 50.7 112.0 25.8 236 -2.0 244 -2.1 0 0.0 245 -0.6 9 61
241 A 242 GLY G H H < 5TS+ 0 0 -66.4 -29.6 -179.9 50.3 110.6 35.4 237 -2.2 0 0.0 0 0.0 0 0.0 12 62
242 A 243 PHE F H H < 5TS+ 0 0 -81.5 -22.2 -177.0 14.5 127.9 44.0 238 -1.8 0 0.0 0 0.0 0 0.0 14 61
243 A 244 GLU E H H X 5TS+ 0 0 -126.2 -27.6 -176.5 67.0 108.6 44.6 239 -1.3 247 -1.2 0 0.0 0 0.0 12 63
244 A 245 SER S H H X 5TS+ 0 0 -66.8 -53.7 -178.9 40.2 104.5 17.9 240 -2.1 248 -1.5 0 0.0 0 0.0 11 66
245 A 246 SER S H H > TS+ 0 0 -63.2 -42.8 180.0 47.0 103.5 21.6 0 0.0 250 -2.5 0 0.0 0 0.0 13 67
247 A 248 SER S H H X TS+ 0 0 -63.0 -46.8 180.0 50.9 111.4 20.9 243 -1.2 251 -3.0 0 0.0 0 0.0 15 70
248 A 249 LEU L H H X TS+ 0 0 -56.6 -48.4 -178.5 42.8 114.3 22.7 244 -1.5 252 -2.3 0 0.0 0 0.0 13 70
249 A 250 ILE I H H X TS+ 0 0 -66.9 -46.0 179.8 43.6 118.5 22.5 245 -2.5 253 -2.4 0 0.0 0 0.0 12 71
250 A 251 GLY G H H X TS+ 0 0 -65.4 -49.1 178.8 42.0 118.9 21.3 246 -2.5 254 -2.3 0 0.0 0 0.0 14 67
251 A 252 ILE I H H X TS+ 0 0 -64.1 -41.1 179.9 53.3 115.0 25.4 247 -3.0 255 -2.2 0 0.0 0 0.0 12 64
252 A 253 GLY G H H X TS+ 0 0 -61.1 -42.0 179.8 47.7 109.2 26.2 248 -2.3 256 -2.2 0 0.0 0 0.0 12 69
253 A 254 THR T H H X TS+ 0 0 -64.8 -46.3 179.7 50.3 111.7 20.5 249 -2.4 257 -1.7 0 0.0 0 0.0 9 74
254 A 255 TYR Y H H X TS+ 0 0 -60.9 -36.6 -180.0 48.7 111.4 32.6 250 -2.3 258 -0.8 0 0.0 0 0.0 10 62
255 A 256 LEU L H H < > TS+ 0 0 -71.5 -46.1 -179.5 46.1 111.7 21.6 251 -2.2 258 -0.6 0 0.0 0 0.0 9 61
256 A 257 LEU L H H < 3 TS+ 0 0 -66.8 -26.4 -179.8 53.9 112.1 37.1 252 -2.2 0 0.0 0 0.0 0 0.0 10 60
257 A 258 LEU L H H < 3 TS+ 0 0 -79.2 -21.8 -180.0 45.3 110.8 46.5 253 -1.7 0 0.0 0 0.0 0 0.0 11 52
258 A 259 THR T S h < < TS+ 0 0 -104.5 8.6 179.7 55.5 110.4 73.0 254 -0.8 0 0.0 255 -0.6 0 0.0 7 42
259 A 260 HIS H h > > T + 0 0 -139.6 68.7 -179.6 176.1 62.3 124.1 0 0.0 263 -2.1 0 0.0 262 -0.7 8 34
260 A 261 PRO P H H > 3 TS+ 0 0 -41.4 -47.3 -180.0 54.1 81.0 33.3 0 0.0 264 -2.3 0 0.0 0 0.0 8 30
261 A 262 ASP D H H > 3 TS+ 0 0 -57.7 -45.8 -179.4 47.7 109.3 22.3 0 0.0 265 -1.5 0 0.0 0 0.0 6 27
262 A 263 GLN Q H H > < TS+ 0 0 -63.8 -39.8 -179.9 53.1 109.5 27.7 259 -0.7 266 -1.4 0 0.0 0 0.0 10 39
263 A 264 LEU L H H X TS+ 0 0 -63.1 -40.3 179.8 58.7 103.0 25.8 259 -2.1 267 -2.6 0 0.0 0 0.0 10 46
264 A 265 ALA A H H X TS+ 0 0 -55.2 -47.5 179.4 53.9 101.8 23.8 260 -2.3 268 -3.7 0 0.0 0 0.0 8 34
265 A 266 LEU L H H X TS+ 0 0 -53.5 -45.9 -179.2 47.2 110.1 25.1 261 -1.5 269 -3.3 0 0.0 0 0.0 9 33
266 A 267 VAL V H H < TS+ 0 0 -62.2 -50.1 179.2 44.2 115.7 18.7 262 -1.4 0 0.0 0 0.0 0 0.0 12 45
267 A 268 ARG R H H < TS+ 0 0 -60.4 -44.4 -179.6 47.0 117.1 25.4 263 -2.6 0 0.0 0 0.0 0 0.0 9 37
268 A 269 ARG R H H < TS+ 0 0 -64.7 -49.6 179.5 25.3 125.7 20.9 264 -3.7 0 0.0 0 0.0 0 0.0 6 23
269 A 270 ASP D h < > T - 0 0 -124.8 114.2 -179.8 -168.4 60.8 161.8 265 -3.3 272 -1.2 0 0.0 0 0.0 8 23
270 A 271 PRO P G T > TS+ 0 0 -67.3 -29.7 179.9 70.1 85.6 38.8 0 0.0 273 -2.1 0 0.0 0 0.0 7 29
271 A 272 SER S G T 3 TS+ 0 0 -64.3 -11.0 -179.2 68.1 88.6 51.3 0 0.0 0 0.0 0 0.0 0 0.0 6 26
272 A 273 ALA A G h > < TS+ 0 0 -88.3 0.9 -178.7 82.6 79.3 65.8 269 -1.2 276 -1.0 0 0.0 0 0.0 11 35
273 A 274 LEU L H H > < TS+ 0 0 -73.5 -49.3 -180.0 55.8 81.2 20.6 270 -2.1 277 -2.2 0 0.0 0 0.0 11 47
274 A 275 PRO P H H > TS+ 0 0 -52.5 -39.2 -179.9 43.9 113.1 27.5 0 0.0 278 -1.3 0 0.0 0 0.0 9 44
275 A 276 ASN N H H > TS+ 0 0 -76.9 -26.3 178.6 60.2 106.8 38.6 0 0.0 279 -2.3 0 0.0 0 0.0 10 45
276 A 277 ALA A H H X TS+ 0 0 -65.4 -39.5 179.5 51.0 104.1 25.1 272 -1.0 280 -2.4 0 0.0 0 0.0 12 59
277 A 278 VAL V H H X TS+ 0 0 -63.2 -42.1 178.7 49.6 110.0 23.4 273 -2.2 281 -2.2 0 0.0 0 0.0 13 64
278 A 279 GLU E H H X TS+ 0 0 -63.8 -40.9 179.0 47.5 112.1 26.8 274 -1.3 282 -1.8 0 0.0 0 0.0 9 58
279 A 280 GLU E H H X TS+ 0 0 -69.1 -34.7 178.9 54.8 108.8 30.4 275 -2.3 283 -3.1 0 0.0 0 0.0 13 57
280 A 281 ILE I H H X TS+ 0 0 -62.6 -43.8 179.4 45.8 110.6 20.8 276 -2.4 284 -2.0 0 0.0 0 0.0 15 68
281 A 282 LEU L H H < TS+ 0 0 -65.2 -35.2 -179.4 49.5 114.1 32.1 277 -2.2 0 0.0 0 0.0 0 0.0 11 68
282 A 283 ARG R H H < TS+ 0 0 -69.7 -46.2 -177.7 49.8 110.4 22.7 278 -1.8 0 0.0 0 0.0 0 0.0 14 61
283 A 284 TYR Y H H < TS+ 0 0 -62.1 -51.0 178.5 10.0 130.9 24.1 279 -3.1 0 0.0 0 0.0 0 0.0 12 64
284 A 285 ILE I S h < TS- 0 0 -134.4 85.5 -179.4 -156.5 79.6 137.7 280 -2.0 0 0.0 0 0.0 0 0.0 8 67
285 A 286 ALA A - 0 0 -64.6 126.6 179.4 -145.7 10.1 115.3 0 0.0 0 0.0 0 0.0 0 0.0 13 68
286 A 287 PRO P S S S+ 0 0 -59.1 -48.6 179.8 58.8 95.3 18.1 0 0.0 392 -3.3 0 0.0 288 -2.2 14 64
287 A 288 PRO P + 0 0 -82.1 77.4 -176.8 172.8 69.7 120.1 0 0.0 0 0.0 0 0.0 0 0.0 12 66
288 A 289 GLU E + 0 0 -56.5 -31.6 -179.5 26.1 64.7 36.2 286 -2.2 316 -1.3 0 0.0 0 0.0 13 67
289 A 290 THR T - 0 0 -137.9 140.7 176.5 -170.7 60.6 172.8 389 -1.4 0 0.0 0 0.0 0 0.0 12 69
290 A 291 THR T E E A F - 0 313 -125.1 149.2 -175.7 -131.0 24.4 161.9 313 -2.2 313 -2.6 0 0.0 0 0.0 10 66
291 A 292 THR T E E A F + 0 312 -110.9 147.2 177.5 173.1 24.3 142.3 0 0.0 0 0.0 0 0.0 0 0.0 10 69
292 A 293 ARG R E E A F - 0 311 -142.1 157.1 178.6 -138.5 21.6 164.3 311 -2.3 311 -3.2 0 0.0 0 0.0 11 65
293 A 294 PHE F E E ACF - 57 310 -122.3 125.3 -179.4 -129.3 19.8 168.9 57 -2.4 57 -2.8 0 0.0 295 -1.1 13 56
294 A 295 ALA A E E AC + 56 0 -76.2 99.4 -179.7 179.2 24.7 127.1 309 -2.8 308 -3.5 0 0.0 0 0.0 16 52
295 A 296 ALA A S e S+ 0 0 -73.2 -16.8 178.9 19.8 76.5 48.1 55 -2.1 0 0.0 293 -1.1 0 0.0 10 41
296 A 297 GLU E S S S- 0 0 -143.3 165.3 178.2 -79.6 104.2 156.2 0 0.0 0 0.0 0 0.0 0 0.0 9 31
297 A 298 GLU E - 0 0 -69.0 134.6 -178.2 -171.3 56.6 121.7 0 0.0 0 0.0 0 0.0 0 0.0 10 28
298 A 299 VAL V E E DG - 305 0 -133.1 148.5 178.7 -139.2 21.4 165.0 305 -2.2 305 -4.3 0 0.0 300 -0.5 11 38
299 A 300 GLU E E E DG + 304 0 -110.1 124.1 -179.8 178.1 22.2 158.5 0 0.0 0 0.0 0 0.0 0 0.0 8 39
300 A 301 ILE I E E DG > TS- 303 0 -127.3 120.9 179.7 -15.6 71.3 170.0 303 -3.0 303 -1.9 298 -0.5 0 0.0 11 45
301 A 302 GLY G T T 3 TS- 0 0 57.8 33.6 179.6 -52.8 128.5 34.3 0 0.0 0 0.0 0 0.0 0 0.0 8 35
302 A 303 GLY G T T 3 TS+ 0 0 83.7 -3.1 179.9 115.2 116.3 65.4 0 0.0 0 0.0 0 0.0 0 0.0 5 25
303 A 304 VAL V E E DG < T - 300 0 -104.3 128.6 179.7 -136.0 63.1 151.7 300 -1.9 300 -3.0 0 0.0 305 -0.6 7 32
304 A 305 ALA A E E DG - 299 0 -85.5 122.5 178.9 -155.4 13.6 136.7 0 0.0 0 0.0 0 0.0 0 0.0 8 33
305 A 306 ILE I E E DG - 298 0 -98.5 117.6 -179.6 -121.4 23.3 150.8 298 -4.3 298 -2.2 303 -0.6 0 0.0 11 41
306 A 307 PRO P t > T - 0 0 -58.8 149.3 179.5 -90.6 33.8 99.8 0 0.0 309 -1.0 0 0.0 0 0.0 9 33
307 A 308 GLN Q T T 3 TS+ 0 0 -60.1 139.3 -179.6 26.3 112.1 108.7 0 0.0 0 0.0 0 0.0 0 0.0 9 34
308 A 309 TYR Y T T 3 TS+ 0 0 77.5 24.7 178.9 144.3 89.7 44.7 294 -3.5 0 0.0 0 0.0 0 0.0 10 40
309 A 310 SER S e < T - 0 0 -93.5 151.5 177.9 -125.9 51.1 130.7 306 -1.0 294 -2.8 0 0.0 311 -0.5 11 51
310 A 311 THR T E E A F - 0 293 -96.4 127.5 -178.9 -160.0 26.7 147.9 0 0.0 39 -2.1 0 0.0 312 -0.5 12 57
311 A 312 VAL V E E AbF - 39 292 -116.5 124.3 178.7 -162.6 9.2 161.7 292 -3.2 292 -2.3 309 -0.5 313 -0.7 12 65
312 A 313 LEU L E E AbF - 40 291 -104.4 109.5 178.5 -158.5 8.4 154.8 39 -3.4 41 -2.3 310 -0.5 314 -0.7 12 71
313 A 314 VAL V E E AbF - 41 290 -88.6 117.3 -179.0 -144.8 11.4 143.7 290 -2.6 290 -2.2 311 -0.7 315 -1.6 14 72
314 A 315 ALA A h > T - 0 0 -85.9 81.9 179.8 -179.5 20.0 126.8 41 -2.5 318 -2.2 312 -0.7 0 0.0 13 69
315 A 316 ASN N H H > TS+ 0 0 -47.0 -41.5 -179.5 51.7 81.2 32.8 313 -1.6 319 -1.2 0 0.0 0 0.0 16 64
316 A 317 GLY G H H 4 TS+ 0 0 -66.8 -43.0 179.5 49.0 107.6 26.3 288 -1.3 0 0.0 0 0.0 0 0.0 16 68
317 A 318 ALA A H H 4 > TS+ 0 0 -62.0 -43.3 -179.6 54.7 108.7 23.3 0 0.0 320 -1.7 0 0.0 0 0.0 14 70
318 A 319 ALA A H H < > TS+ 0 0 -59.5 -33.3 -179.8 61.5 99.6 34.6 314 -2.2 321 -1.5 0 0.0 0 0.0 13 64
319 A 320 ASN N T h < 3 TS+ 0 0 -69.1 -14.1 -179.3 47.9 105.7 50.5 315 -1.2 0 0.0 0 0.0 0 0.0 16 59
320 A 321 ARG R T T < TS+ 0 0 -113.8 21.3 179.1 129.6 76.6 85.8 317 -1.7 0 0.0 0 0.0 0 0.0 14 59
321 A 322 ASP D t > X T - 0 0 -79.7 112.4 -179.6 -146.9 53.5 133.5 318 -1.5 325 -2.7 0 0.0 324 -2.3 14 51
322 A 323 PRO P T T 4 3 TS+ 0 0 -51.8 -23.5 -179.7 67.0 94.3 43.7 0 0.0 0 0.0 0 0.0 0 0.0 8 38
323 A 324 LYS K T T 4 3 TS+ 0 0 -70.9 -23.9 -179.1 23.8 116.6 41.5 0 0.0 0 0.0 0 0.0 0 0.0 6 29
324 A 325 GLN Q T T 4 < TS+ 0 0 -108.9 -35.9 -179.2 38.9 131.3 43.4 321 -2.3 0 0.0 0 0.0 0 0.0 8 37
325 A 326 PHE F S t < TS- 0 0 -124.6 99.1 -179.9 -139.1 81.7 151.8 321 -2.7 0 0.0 0 0.0 0 0.0 9 42
326 A 327 PRO P S S S+ 0 0 -56.6 130.8 -179.9 6.2 89.3 107.1 0 0.0 0 0.0 0 0.0 0 0.0 7 29
327 A 328 ASP D S t > TS- 0 0 56.1 56.3 -179.3 -174.4 83.4 13.4 0 0.0 330 -1.8 0 0.0 0 0.0 6 26
328 A 329 PRO P T T 3 TS+ 0 0 -50.5 -43.0 -178.7 58.4 73.8 36.0 0 0.0 0 0.0 0 0.0 0 0.0 11 46
329 A 330 HIS H T T 3 TS+ 0 0 -75.4 6.7 179.3 98.6 85.7 67.6 0 0.0 331 -0.6 0 0.0 0 0.0 6 38
330 A 331 ARG R S t < TS- 0 0 -99.9 117.8 179.5 -142.3 70.1 149.4 327 -1.8 332 -0.7 0 0.0 0 0.0 5 36
331 A 332 PHE F + 0 0 -79.2 114.3 -178.7 167.2 31.9 133.5 329 -0.6 0 0.0 0 0.0 0 0.0 8 48
332 A 333 ASP D t > T - 0 0 -139.5 106.2 -179.2 -164.1 31.5 149.3 330 -0.7 335 -1.4 0 0.0 0 0.0 8 42
333 A 334 VAL V T T 3 TS+ 0 0 -61.6 -5.7 -178.8 51.8 94.7 57.2 0 0.0 0 0.0 0 0.0 0 0.0 11 49
334 A 335 THR T T T 3 TS+ 0 0 -107.2 -17.3 -179.3 106.0 83.0 50.9 0 0.0 0 0.0 0 0.0 0 0.0 7 37
335 A 336 ARG R S t < TS- 0 0 -59.4 163.1 177.7 -96.1 84.0 94.7 332 -1.4 337 -0.6 0 0.0 0 0.0 6 34
336 A 337 ASP D - 0 0 -83.1 120.0 -178.6 -179.3 41.4 138.7 0 0.0 0 0.0 0 0.0 0 0.0 4 32
337 A 338 THR T t > T + 0 0 -102.2 1.0 -179.3 136.6 28.8 66.4 335 -0.6 340 -1.6 0 0.0 0 0.0 9 42
338 A 339 ARG R T T 3 T + 0 0 -50.5 138.7 178.6 26.5 66.8 98.9 0 0.0 0 0.0 0 0.0 0 0.0 4 34
339 A 340 GLY G T T 3 TS+ 0 0 91.0 -5.2 179.5 146.5 77.2 67.8 0 0.0 0 0.0 0 0.0 0 0.0 4 43
340 A 341 HIS H t < T - 0 0 -62.1 159.5 -177.9 -137.4 45.9 103.9 337 -1.6 0 0.0 0 0.0 0 0.0 9 57
341 A 342 LEU L t > T + 0 0 -106.1 18.1 -178.9 111.7 69.4 80.8 0 0.0 344 -1.4 0 0.0 0 0.0 12 56
342 A 343 SER S T T 3 TS+ 0 0 -63.6 -27.7 178.5 39.4 86.7 38.6 0 0.0 0 0.0 0 0.0 0 0.0 12 61
343 A 344 PHE F T T 3 TS- 0 0 -103.0 11.5 -179.8 -113.4 119.7 76.0 0 0.0 350 -3.6 0 0.0 0 0.0 8 56
344 A 345 GLY G t < T - 0 0 92.5 -163.9 -177.9 -103.2 26.9 119.2 341 -1.4 0 0.0 0 0.0 0 0.0 10 55
345 A 346 GLN Q + 0 0 -167.4 130.8 178.9 5.7 68.6 153.5 0 0.0 0 0.0 0 0.0 0 0.0 11 45
346 A 347 GLY G S t > TS- 0 0 97.5 -152.9 -177.5 -12.8 116.1 129.5 0 0.0 349 -1.7 0 0.0 0 0.0 7 39
347 A 348 ILE I T T 3 TS+ 0 0 -63.7 -23.7 -179.5 51.5 134.9 43.1 0 0.0 0 0.0 0 0.0 0 0.0 4 41
348 A 349 HIS H T T 3 TS+ 0 0 -97.9 13.6 180.0 151.2 75.9 75.9 0 0.0 0 0.0 0 0.0 0 0.0 8 50
349 A 350 PHE F t < T - 0 0 -46.6 130.6 -177.8 -81.9 66.2 100.1 346 -1.7 0 0.0 0 0.0 0 0.0 8 44
350 A 351 CYS C t > T - 0 0 -63.3 129.0 175.6 -160.6 37.6 57.9 343 -3.6 353 -1.4 0 0.0 0 0.0 8 50
351 A 352 MET M T T 3 TS+ 0 0 -81.1 -7.9 -177.8 60.2 90.4 8.8 0 0.0 0 0.0 0 0.0 0 0.0 6 49
352 A 353 GLY G T h > 3 T + 0 0 -98.7 4.9 -179.5 106.6 67.9 67.3 0 0.0 356 -2.8 0 0.0 0 0.0 6 55
353 A 354 ARG R H H > < TS+ 0 0 -50.3 -45.3 -179.9 52.1 79.0 29.7 350 -1.4 357 -2.5 0 0.0 0 0.0 8 50
354 A 355 PRO P H H > TS+ 0 0 -60.6 -43.4 -179.7 44.3 113.1 21.8 0 0.0 358 -1.9 0 0.0 0 0.0 9 44
355 A 356 LEU L H H > TS+ 0 0 -67.5 -41.7 179.7 51.1 113.1 23.7 0 0.0 359 -2.5 0 0.0 0 0.0 8 58
356 A 357 ALA A H H X TS+ 0 0 -62.9 -40.9 -179.8 48.5 110.4 27.3 352 -2.8 360 -2.5 0 0.0 0 0.0 10 66
357 A 358 LYS K H H X TS+ 0 0 -66.7 -40.6 178.5 51.0 111.4 24.6 353 -2.5 361 -2.8 0 0.0 0 0.0 10 54
358 A 359 LEU L H H X TS+ 0 0 -59.3 -56.1 180.0 43.5 113.4 13.8 354 -1.9 362 -2.7 0 0.0 0 0.0 9 52
359 A 360 GLU E H H X TS+ 0 0 -57.3 -45.0 179.7 49.5 115.8 23.8 355 -2.5 363 -2.3 0 0.0 0 0.0 11 66
360 A 361 GLY G H H X TS+ 0 0 -62.0 -47.3 -179.6 43.1 114.1 21.7 356 -2.5 364 -2.0 0 0.0 0 0.0 12 68
361 A 362 GLU E H H X TS+ 0 0 -65.5 -48.9 -179.6 45.3 117.0 18.7 357 -2.8 365 -2.1 0 0.0 0 0.0 11 59
362 A 363 VAL V H H X TS+ 0 0 -61.6 -44.5 -178.5 47.6 115.0 23.0 358 -2.7 366 -2.1 0 0.0 0 0.0 11 56
363 A 364 ALA A H H X TS+ 0 0 -64.8 -48.0 -179.3 42.9 115.0 22.6 359 -2.3 367 -2.5 0 0.0 0 0.0 12 62
364 A 365 LEU L H H X TS+ 0 0 -68.0 -38.9 180.0 51.8 113.6 28.2 360 -2.0 368 -2.2 0 0.0 0 0.0 12 67
365 A 366 ARG R H H X TS+ 0 0 -62.3 -47.5 -179.4 41.4 115.5 18.6 361 -2.1 369 -1.9 0 0.0 0 0.0 9 52
366 A 367 ALA A H H < TS+ 0 0 -67.2 -41.5 -179.4 53.7 113.5 27.4 362 -2.1 0 0.0 0 0.0 0 0.0 10 50
367 A 368 LEU L H H X > TS+ 0 0 -60.0 -55.4 -178.9 29.9 120.1 16.6 363 -2.5 371 -0.8 0 0.0 370 -0.7 9 67
368 A 369 PHE F H H < 3 TS+ 0 0 -78.5 -24.9 179.8 61.8 114.6 40.8 364 -2.2 0 0.0 0 0.0 0 0.0 10 57
369 A 370 GLY G T h < 3 TS+ 0 0 -79.6 2.5 -179.0 39.2 112.8 62.9 365 -1.9 0 0.0 0 0.0 0 0.0 9 38
370 A 371 ARG R T T 4 < TS+ 0 0 -125.0 -14.0 178.7 47.2 115.8 59.5 367 -0.7 0 0.0 0 0.0 0 0.0 6 38
371 A 372 PHE F t < > T + 0 0 -131.8 74.0 -179.9 172.5 58.8 128.9 367 -0.8 374 -2.3 0 0.0 0 0.0 10 42
372 A 373 PRO P T T 3 TS+ 0 0 -51.2 -30.2 -178.6 43.7 84.4 41.8 0 0.0 0 0.0 0 0.0 0 0.0 6 33
373 A 374 ALA A T T 3 TS+ 0 0 -103.1 10.5 -179.9 145.4 80.8 74.2 0 0.0 0 0.0 0 0.0 0 0.0 7 31
374 A 375 LEU L t < T + 0 0 -51.0 132.1 179.6 168.0 21.9 101.9 371 -2.3 0 0.0 0 0.0 0 0.0 12 45
375 A 376 SER S E E BH - 400 0 -144.8 163.2 179.2 -82.1 40.3 161.6 400 -1.8 400 -2.5 0 0.0 0 0.0 9 43
376 A 377 LEU L E E BH - 399 0 -68.2 138.9 179.8 -148.6 26.5 115.5 0 0.0 0 0.0 0 0.0 0 0.0 12 43
377 A 378 GLY G S e S+ 0 0 -82.5 -14.5 179.6 33.0 79.4 51.1 398 -3.6 0 0.0 0 0.0 0 0.0 9 35
378 A 379 ILE I S S S- 0 0 -131.6 178.7 179.7 -73.6 100.8 139.7 398 -0.6 0 0.0 0 0.0 0 0.0 8 31
379 A 380 ASP D g > > T - 0 0 -79.3 129.0 -178.5 -122.6 43.6 128.8 0 0.0 382 -3.9 0 0.0 383 -0.5 7 21
380 A 381 ALA A G G 4 > TS+ 0 0 -38.5 -39.6 -179.8 52.0 112.1 40.9 0 0.0 383 -0.8 0 0.0 0 0.0 7 29
381 A 382 ASP D G G 4 3 TS+ 0 0 -79.4 -7.5 -179.9 64.2 100.4 55.9 0 0.0 0 0.0 0 0.0 0 0.0 4 24
382 A 383 ASP D G G 4 < TS+ 0 0 -91.5 -8.6 179.4 116.8 72.1 56.8 379 -3.9 0 0.0 0 0.0 0 0.0 6 23
383 A 384 VAL V g < < T - 0 0 -60.2 135.1 179.5 -134.2 63.3 110.9 380 -0.8 385 -0.6 379 -0.5 0 0.0 10 35
384 A 385 VAL V - 0 0 -99.0 119.7 179.2 -151.8 14.0 147.7 0 0.0 395 -0.5 0 0.0 0 0.0 7 34
385 A 386 TRP W B B B - 394 0 -90.1 135.4 179.5 -107.8 26.6 137.0 383 -0.6 0 0.0 0 0.0 0 0.0 9 47
386 A 387 ARG R - 0 0 -60.1 137.2 179.5 -125.7 26.8 110.7 393 -2.9 388 -1.6 0 0.0 0 0.0 8 48
387 A 388 ARG R + 0 0 -87.0 75.7 -179.9 120.7 66.5 126.0 0 0.0 0 0.0 0 0.0 0 0.0 7 45
388 A 389 SER S - 0 0 -142.8 132.1 178.3 -172.4 44.5 173.9 386 -1.6 0 0.0 0 0.0 0 0.0 10 55
389 A 390 LEU L S S S+ 0 0 -94.4 -10.6 179.7 61.2 92.5 58.7 0 0.0 289 -1.4 0 0.0 0 0.0 8 62
390 A 391 LEU L S S S- 0 0 -79.5 -50.1 -180.0 -1.8 126.6 23.3 0 0.0 0 0.0 0 0.0 0 0.0 12 59
391 A 392 LEU L S S S- 0 0 -149.7 103.5 -179.7 -151.9 74.0 146.8 0 0.0 0 0.0 0 0.0 0 0.0 12 55
392 A 393 ARG R + 0 0 -72.8 152.4 179.5 128.8 35.4 112.4 286 -3.3 0 0.0 0 0.0 0 0.0 14 59
393 A 394 GLY G - 0 0 178.7 -177.5 179.1 -94.5 54.9 172.1 0 0.0 386 -2.9 0 0.0 0 0.0 13 57
394 A 395 ILE I B B B - 385 0 -125.4 119.5 -178.4 -172.9 21.9 170.5 0 0.0 0 0.0 0 0.0 0 0.0 13 55
395 A 396 ASP D S S S+ 0 0 -83.1 -27.0 -179.4 31.1 76.4 39.4 384 -0.5 0 0.0 0 0.0 0 0.0 9 48
396 A 397 HIS H + 0 0 -136.3 125.6 179.9 167.4 60.2 172.9 0 0.0 0 0.0 0 0.0 0 0.0 10 42
397 A 398 LEU L e - 0 0 -142.1 91.9 179.9 -158.7 17.3 137.1 0 0.0 139 -2.1 0 0.0 0 0.0 13 47
398 A 399 PRO P E E BD + 138 0 -73.4 130.4 179.3 178.6 16.9 121.3 0 0.0 377 -3.6 0 0.0 378 -0.6 11 45
399 A 400 VAL V E E BDH - 137 376 -132.9 145.2 178.8 -130.5 28.3 169.2 137 -2.4 137 -1.9 0 0.0 401 -0.7 13 50
400 A 401 ARG R E E BDH> T - 136 375 -96.4 116.9 -178.5 -164.4 17.3 148.6 375 -2.5 375 -1.8 0 0.0 403 -0.8 13 37
401 A 402 LEU L T e 3 TS+ 0 0 -66.2 -51.1 -178.5 41.4 85.7 21.5 135 -2.6 0 0.0 399 -0.7 0 0.0 13 38
402 A 403 ASP D T T 3 T 0 0 -86.6 19.0 179.4 999.9 999.9 80.2 0 0.0 0 0.0 0 0.0 0 0.0 9 27
403 A 404 GLY G t < T 0 0 101.2 999.9 999.9 999.9 999.9 110.8 400 -0.8 0 0.0 0 0.0 0 0.0 6 26
1jipA.pdb
1JIP HYDROLASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand BTTSGGGTSSHHHHHHHHHHH SEEEEEETTEEEEEE SHHHHHHHHH TTEE TT TT GGGTT HHHHHHHSSSGGG TTHHHHH Kabs/Sand
chirality ----++-++++-+++++++++++--++-+-+--+-+---++-+++++++++-++--+-++----+--+--+++++--+++++++++-+++--+++++++ chirality
bends SSSSSSSSS SSSSSSSSSS SS SS SSSSSSSSSS SSS SS SS SSSSS SSSSSSSSSSSSS SSSSSSS bends
turns TTTTTTTTTTTTTTTTTTTTTT TTTT TTTTTTTTTTTTTT TTTT TTTT TTTTTTTTTTTTTTTT TTTTTTTTTTTTT turns
5-turns 5-turns
3-turns >33X>3<< >33< >33< >>333< >33< >>3X<3< >33< >>3<<>33< 3-turns
bridge-2 a bbb bridge-2
bridge-1 a AAAAAA AAAAAA CC bridge-1
sheets AAAAAA AAAAAA AA sheets
4-turns >444<>>>>XXXXX<<<< >>>>XXX<<<< >>>>X<<<< >4>>X>XX 4-turns
summary BTTgGGGgthHHHHHHHHHHHheEEEEEETTEEEEEEehHHHHHHHHHhTeEE tTTt tTTt gGGGgTthHHHHHHHhSgGGGgtThHHHHH summary
sequence TTVPDLESDSFHVDWYRTYAELRETAPVTPVRFLGQDAWLVTGYDEAKAALSDLRLSSDPKKKYPGVEVEFPAYLGFPEDVRNYFATNMGTSDPPTHTRL sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHHHHTTS HHHHHTTHHHHHHHHHHHHHTT SSSEEEHHHHTTTHHHHHHHHHHHT TTTTTHHHHHHHHHH GGGHHHHHHHHHHHHHHHHHHHH Kabs/Sand
chirality ++++++++-+++++++++++++++++++++--++-+--+++-+++++++++++++-+--+++++++++++++++-+-+++++++++++++++++++++++ chirality
bends SSSSSSSS SSSSSSSSSSSSSSSSSSSSSS SSS SSSSSSSSSSSSSSSSSS SSSSSSSSSSSSSSS SSSSSSSSSSSSSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >>555<< >5555< 5-turns
3-turns >>3<< >>3<< >>3<< >33< >33< >33< >>3<< 3-turns
bridge-2 bridge-2
bridge-1 DDD bridge-1
sheets BBB sheets
4-turns XX>>4<<<>>>>XXXXXXX>44>X>XXXXX<<<< >44><>>X>XXXX<<<< >>>>XXXXXXXXXXXXXXXXX 4-turns
summary HHHHHhTthHHHHHhhHHHHHHHHHHHHHhTtSSeEEEHHHHhThHHHHHHHHHHHhttTTTThHHHHHHHHHHh gGGhHHHHHHHHHHHHHHHHHHHH summary
sequence RKLVSQEFTVRRVEAMRPRVEQITAELLDEVGDSGVVDIVDRFAHPLPIKVICELLGVDEKYRGEFGRWSSEILVMDPERAEQRGQAAREVVNFILDLVE sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand HHHHS SSHHHHHHH EETTTEE HHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHS HHHHHHHHH GGGHHHHHHHHHHHS S EEEEESS EEE Kabs/Sand
chirality ++++-+-+-++++++++--++-----++++++++++++++++++++++++++++++++++++++++++-++++++++++++++--+++--+--++---+- chirality
bends SSSSS SSSSSSSSS SSS SSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSS SSSSSSSSS SSSSSSSSSSSSSSS S SS S bends
turns TTTTT TTTTTTTTT TTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT T turns
5-turns >5555< 5-turns
3-turns >33< >33<>33< >>3<< > 3-turns
bridge-2 FFFF bridge-2
bridge-1 EE EE CC GGG bridge-1
sheets CC CC AAAAA DDD sheets
4-turns X<<<< >>>>X<<<< >444< >>>>XXXXXXXXXXX<>XXXXXXXX<<<<>>>>XXX<<<< >>>>XXXXX<<<< 4-turns
summary HHHHh ShHHHHHHHhEETTTEEehHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHhhHHHHHHHHHhTThHHHHHHHHHHHh S EEEEEeS EEE summary
sequence RRRTEPGDDLLSALIRVQDDDDGRLSADELTSIALVLLLAGFESSVSLIGIGTYLLLTHPDQLALVRRDPSALPNAVEEILRYIAPPETTTRFAAEEVEI sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand TTEEE TT EEEE HHHHTT TTTSSSTTS TTS TT TT STT TTHHHHHHHHHHHHHHHHTT TT EESS GGG B SSS BS EEE Kabs/Sand
chirality -+----++------++++++-+++-+-++-+-++--+++-++--+-++--++++++++++++++++++++++++--+--+++----+-+--+--++-+-- chirality
bends SS SS SSSSSS SSSSSSSSS SSS S SS SSS S SSSSSSSSSSSSSSSSSS SS SS SSS SSS S bends
turns TTT TTTT TTTTTTTTTTTT TTTT TTTT TTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTT T turns
5-turns 5-turns
3-turns 33< >33< >>333< >33< >33<>33< >33<>33< >33<>33< >>3<< > 3-turns
bridge-2 FFFF HH bridge-2
bridge-1 GGG bbb HH B B DDD bridge-1
sheets DDD AAAA BB BBB sheets
4-turns >>44<< >444< >>>>XXXXXXXXXX444< 4-turns
summary TTEEEtTTeEEEEhHHHHhTtTTTtStTTt tTTt tTTttTTt tTTttThHHHHHHHHHHHHHHHHhTtTTtEEeSgGGGg B SSS BS eEEE summary
sequence GGVAIPQYSTVLVANGAANRDPKQFPDPHRFDVTRDTRGHLSFGQGIHFCMGRPLAKLEGEVALRALFGRFPALSLGIDADDVVWRRSLLLRGIDHLPVR sequence
310 320 330 340 350 360 370 380 390 400
author author
Kabs/Sand TT Kabs/Sand
chirality + chirality
bends S bends
turns TTT turns
5-turns 5-turns
3-turns 33< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns 4-turns
summary eTt summary
sequence LDG sequence