Secondary structure calculation program - copyright by David Keith Smith, 1989
1mvmA.pdb
1MVM COMPLEX(VIRAL COAT PROTEIN/DNA) MOL_ID: 1; MOL_ID: 1;
Sequence length - 549
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 39 GLY G 0 0 999.9 -85.9 179.1 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 5 22
2 A 40 VAL V + 0 0 -85.2 142.0 179.4 68.8 999.9 127.7 0 0.0 0 0.0 0 0.0 0 0.0 6 24
3 A 41 GLY G S S S+ 0 0 149.8 -55.8 -179.1 74.2 78.2 106.0 0 0.0 0 0.0 0 0.0 0 0.0 5 20
4 A 42 VAL V S S S- 0 0 -90.8 152.9 178.8 -118.1 74.9 124.8 0 0.0 0 0.0 0 0.0 0 0.0 6 17
5 A 43 SER S - 0 0 -76.5 -179.7 -179.2 -153.0 9.8 95.7 0 0.0 0 0.0 0 0.0 0 0.0 7 28
6 A 44 THR T + 0 0 -129.4 -24.5 -178.2 21.9 67.5 57.1 0 0.0 0 0.0 0 0.0 0 0.0 9 31
7 A 45 GLY G - 0 0 -140.4 -179.6 -179.9 -131.2 59.6 143.4 0 0.0 0 0.0 0 0.0 0 0.0 8 39
8 A 46 SER S - 0 0 -106.7 -142.7 177.9 -108.4 29.3 83.7 0 0.0 0 0.0 0 0.0 0 0.0 4 31
9 A 47 TYR Y + 0 0 -165.6 102.0 -178.6 169.2 33.7 130.3 0 0.0 11 -0.5 0 0.0 0 0.0 7 34
10 A 48 ASP D + 0 0 -125.1 106.5 176.1 151.4 17.2 157.9 0 0.0 0 0.0 0 0.0 0 0.0 9 36
11 A 49 ASN N + 0 0 -120.2 36.2 -179.4 127.9 46.0 102.2 9 -0.5 0 0.0 0 0.0 0 0.0 10 45
12 A 50 GLN Q e - 0 0 -90.7 163.5 177.3 -140.8 55.1 114.7 0 0.0 28 -2.4 0 0.0 0 0.0 7 35
13 A 51 THR T E E AA - 27 0 -131.4 106.5 -177.2 -162.1 20.7 162.3 0 0.0 0 0.0 0 0.0 0 0.0 10 39
14 A 52 HIS H E E AA - 26 0 -99.5 135.9 179.2 -161.5 1.9 141.3 26 -2.7 26 -2.5 0 0.0 0 0.0 7 32
15 A 53 TYR Y E E AA - 25 0 -115.2 146.0 178.8 -170.2 4.9 150.2 0 0.0 0 0.0 0 0.0 0 0.0 8 36
16 A 54 ARG R E E AA - 24 0 -141.0 120.5 -179.1 -151.0 12.7 167.1 24 -0.8 24 -2.2 0 0.0 18 -1.0 7 26
17 A 55 PHE F E E AA - 23 0 -99.0 97.0 179.2 -176.6 24.6 145.1 0 0.0 0 0.0 0 0.0 0 0.0 8 24
18 A 56 LEU L e - 0 0 -78.0 -174.5 -179.3 -70.5 37.7 89.9 22 -1.1 0 0.0 16 -1.0 0 0.0 8 18
19 A 57 GLY G S S S+ 0 0 -89.8 125.5 178.8 23.1 113.2 138.3 0 0.0 0 0.0 0 0.0 0 0.0 5 15
20 A 58 ASP D S S S- 0 0 86.3 53.3 178.9 -63.8 129.9 24.2 0 0.0 0 0.0 0 0.0 0 0.0 4 17
21 A 59 GLY G S e S+ 0 0 43.7 33.5 176.9 144.7 93.7 39.0 0 0.0 499 -1.0 0 0.0 23 -1.0 10 25
22 A 60 TRP W E E A B - 0 498 -105.5 92.7 179.8 -174.4 28.4 143.6 0 0.0 18 -1.1 0 0.0 0 0.0 11 30
23 A 61 VAL V E E AAB - 17 497 -82.6 152.4 176.5 -149.3 15.7 117.4 497 -2.7 497 -1.4 21 -1.0 0 0.0 12 37
24 A 62 GLU E E E AAB - 16 496 -131.1 113.8 -177.8 -163.8 8.4 164.9 16 -2.2 16 -0.8 0 0.0 26 -0.7 12 39
25 A 63 ILE I E E AAB - 15 495 -104.5 112.3 178.6 -175.4 5.8 153.2 495 -2.8 495 -2.9 0 0.0 27 -0.6 12 48
26 A 64 THR T E E AAB - 14 494 -111.7 105.7 -179.3 -169.3 9.5 159.0 14 -2.5 14 -2.7 24 -0.7 0 0.0 11 46
27 A 65 ALA A E E AAB - 13 493 -100.0 142.6 179.5 -176.2 4.6 139.4 493 -3.2 493 -2.7 25 -0.6 0 0.0 14 53
28 A 66 LEU L E E A B + 0 492 -132.1 164.8 180.0 176.1 7.5 148.7 12 -2.4 0 0.0 0 0.0 0 0.0 13 50
29 A 67 ALA A E E A B - 0 491 -174.3 129.9 178.2 -162.4 15.7 144.2 491 -1.5 491 -2.1 0 0.0 31 -0.5 15 52
30 A 68 THR T E E A B - 0 490 -121.9 89.3 178.6 -176.8 19.1 147.2 0 0.0 0 0.0 0 0.0 0 0.0 12 55
31 A 69 ARG R E E A B - 0 489 -88.2 136.0 177.7 -134.3 20.9 135.1 489 -0.7 489 -2.7 29 -0.5 0 0.0 14 53
32 A 70 LEU L E E A B - 0 488 -94.1 128.0 -171.6 -155.0 27.2 144.7 0 0.0 168 -1.6 0 0.0 0 0.0 11 48
33 A 71 VAL V E E AcB - 168 487 -119.8 146.0 -179.7 -153.7 15.6 146.9 487 -3.3 487 -2.4 0 0.0 0 0.0 12 56
34 A 72 HIS H E E AcB - 169 486 -113.9 128.9 -179.2 -179.7 15.3 159.2 168 -1.6 170 -0.7 0 0.0 0 0.0 12 47
35 A 73 LEU L E E A B - 0 485 -138.4 121.0 -179.4 -162.5 7.4 169.2 485 -2.3 485 -1.8 0 0.0 0 0.0 12 53
36 A 74 ASN N - 0 0 -91.1 -175.8 -178.0 -74.6 35.4 100.9 0 0.0 0 0.0 0 0.0 0 0.0 8 47
37 A 75 MET M - 0 0 -86.1 129.3 177.8 -113.1 47.9 131.6 0 0.0 0 0.0 0 0.0 0 0.0 9 45
38 A 76 PRO P - 0 0 -61.6 140.2 179.2 -134.3 17.1 113.8 0 0.0 0 0.0 0 0.0 0 0.0 9 41
39 A 77 LYS K S S S+ 0 0 -59.0 -44.8 -179.4 33.5 92.1 25.6 0 0.0 0 0.0 0 0.0 0 0.0 5 31
40 A 78 SER S - 0 0 -118.3 146.5 178.4 -161.5 56.7 152.0 0 0.0 0 0.0 0 0.0 0 0.0 6 34
41 A 79 GLU E S S S+ 0 0 -115.5 34.2 179.5 88.5 75.4 104.6 0 0.0 0 0.0 0 0.0 0 0.0 6 41
42 A 80 ASN N S S S- 0 0 -123.6 168.7 174.7 -114.0 82.1 135.1 0 0.0 44 -0.5 0 0.0 0 0.0 6 35
43 A 81 TYR Y - 0 0 -109.6 128.9 -177.7 -162.3 35.1 161.6 0 0.0 0 0.0 0 0.0 0 0.0 9 31
44 A 82 CYS C E E BD - 70 0 -122.1 140.0 174.2 -152.3 21.4 160.1 70 -1.4 70 -2.4 42 -0.5 46 -0.8 7 30
45 A 83 ARG R E E BD - 69 0 -104.3 90.4 -176.7 -179.6 33.5 150.1 0 0.0 0 0.0 0 0.0 0 0.0 8 34
46 A 84 ILE I E E BD - 68 0 -101.3 146.0 -179.9 -162.9 11.7 136.8 68 -1.0 68 -2.1 44 -0.8 0 0.0 8 31
47 A 85 ARG R E E BD - 67 0 -125.1 154.6 178.8 -156.6 5.1 150.7 0 0.0 0 0.0 0 0.0 0 0.0 8 31
48 A 86 VAL V E E BD + 66 0 -135.4 131.4 -178.6 170.4 14.3 177.7 66 -1.4 66 -0.6 0 0.0 0 0.0 9 33
49 A 87 HIS H - 0 0 -143.7 78.0 -177.5 -157.0 19.3 130.0 0 0.0 51 -1.4 0 0.0 0 0.0 8 35
50 A 88 ASN N t > T + 0 0 -65.5 92.5 177.1 175.8 15.9 114.6 0 0.0 53 -1.0 0 0.0 52 -0.9 9 27
51 A 89 THR T T T 3 TS+ 0 0 -95.2 57.6 -179.6 70.0 70.4 118.8 49 -1.4 0 0.0 0 0.0 0 0.0 6 29
52 A 90 THR T T T 3 TS+ 0 0 -150.6 -2.4 178.8 24.9 112.5 79.2 50 -0.9 0 0.0 0 0.0 0 0.0 6 19
53 A 91 ASP D S t < TS+ 0 0 -144.7 -1.2 -178.1 58.1 122.5 81.6 50 -1.0 0 0.0 0 0.0 0 0.0 10 28
54 A 92 THR T S S S+ 0 0 -107.4 -23.0 179.7 60.8 96.7 56.8 0 0.0 56 -0.5 0 0.0 0 0.0 11 37
55 A 93 SER S S S S+ 0 0 -108.6 62.7 -178.7 83.8 86.2 123.6 0 0.0 0 0.0 0 0.0 0 0.0 7 34
56 A 94 VAL V S S S- 0 0 -123.2 -84.0 179.3 -121.8 83.3 56.7 54 -0.5 0 0.0 0 0.0 0 0.0 8 30
57 A 95 LYS K S S S+ 0 0 153.3 -22.7 179.6 36.5 102.7 83.4 0 0.0 0 0.0 0 0.0 0 0.0 13 28
58 A 96 GLY G S S S+ 0 0 -120.9 -27.0 -179.2 94.7 90.3 56.6 0 0.0 60 -1.9 0 0.0 0 0.0 9 27
59 A 97 ASN N + 0 0 -75.6 80.5 178.1 118.7 42.5 122.7 0 0.0 0 0.0 0 0.0 0 0.0 10 32
60 A 98 MET M t > T + 0 0 -108.9 -42.3 178.2 62.4 66.3 46.6 58 -1.9 63 -1.9 0 0.0 0 0.0 11 43
61 A 99 ALA A T T 3 TS+ 0 0 -76.0 31.6 -179.2 65.5 98.3 92.9 0 0.0 0 0.0 0 0.0 0 0.0 7 37
62 A 100 LYS K T T 3 T + 0 0 -137.5 8.4 178.9 134.8 64.9 81.2 0 0.0 64 -0.5 0 0.0 0 0.0 7 34
63 A 101 ASP D t < T + 0 0 -69.1 116.3 -178.3 163.8 17.1 123.4 60 -1.9 0 0.0 0 0.0 0 0.0 10 42
64 A 102 ASP D + 0 0 -125.3 28.6 -179.5 131.3 25.6 94.3 62 -0.5 66 -0.8 0 0.0 0 0.0 7 37
65 A 103 ALA A + 0 0 -93.0 111.4 179.8 147.1 24.9 143.0 0 0.0 0 0.0 0 0.0 0 0.0 9 42
66 A 104 HIS H E E BD - 48 0 -143.9 146.1 178.7 -125.0 48.1 170.9 64 -0.8 48 -1.4 48 -0.6 68 -0.9 10 42
67 A 105 GLU E E E BD - 47 0 -97.7 100.4 -176.7 -179.6 42.0 146.7 0 0.0 177 -1.6 0 0.0 0 0.0 12 38
68 A 106 GLN Q E E BDE - 46 176 -101.2 164.4 179.1 -142.4 22.6 121.5 46 -2.1 46 -1.0 66 -0.9 0 0.0 12 40
69 A 107 ILE I E E BDE - 45 175 -132.6 123.2 -178.6 -147.4 13.7 176.4 175 -1.5 175 -1.9 0 0.0 0 0.0 12 37
70 A 108 TRP W E E BDE - 44 174 -95.1 139.0 179.7 -158.5 7.7 136.3 44 -2.4 44 -1.4 0 0.0 0 0.0 12 39
71 A 109 THR T E E B * - 0 0 -118.7 132.6 -179.6 -135.6 23.1 163.1 173 -1.7 0 0.0 0 0.0 0 0.0 11 52
72 A 110 PRO P E E B * S+ 0 0 -60.5 -9.0 -178.1 102.4 82.8 50.3 0 0.0 0 0.0 0 0.0 0 0.0 13 44
73 A 111 TRP W E E B * - 0 0 -83.4 133.3 178.4 -145.3 67.4 127.5 0 0.0 173 -2.6 0 0.0 75 -0.5 10 57
74 A 112 SER S E E BFE - 461 172 -100.8 123.7 -177.6 -144.0 18.7 151.2 461 -2.3 461 -4.5 0 0.0 0 0.0 13 58
75 A 113 LEU L E E BFE - 460 171 -86.6 166.6 179.7 -145.2 3.6 110.0 171 -3.3 171 -2.3 73 -0.5 0 0.0 12 60
76 A 114 VAL V E E BF - 459 0 -138.7 113.2 -179.4 -179.9 18.2 163.6 459 -1.8 459 -0.7 0 0.0 0 0.0 12 67
77 A 115 ASP D + 0 0 -118.5 140.1 179.5 163.5 20.5 157.5 0 0.0 0 0.0 0 0.0 0 0.0 14 71
78 A 116 ALA A + 0 0 -139.9 21.0 -180.0 127.9 36.3 89.2 0 0.0 80 -2.0 0 0.0 0 0.0 7 71
79 A 117 ASN N + 0 0 -84.0 64.8 179.5 100.0 49.8 119.3 0 0.0 0 0.0 0 0.0 0 0.0 10 67
80 A 118 ALA A S S S- 0 0 -144.2 167.1 -178.4 -133.8 70.7 155.2 78 -2.0 0 0.0 0 0.0 0 0.0 13 66
81 A 119 TRP W S t > > TS+ 0 0 -89.7 -45.5 -175.9 60.8 100.0 31.5 428 -1.2 85 -1.4 427 -0.6 84 -1.4 13 70
82 A 120 GLY G T T 4 3 TS+ 0 0 -57.9 -28.0 -178.1 53.8 102.6 42.8 0 0.0 0 0.0 0 0.0 0 0.0 12 66
83 A 121 VAL V T T 4 3 TS+ 0 0 -79.9 -22.4 -175.0 42.4 113.4 44.8 0 0.0 0 0.0 0 0.0 0 0.0 13 68
84 A 122 TRP W T T 4 < TS+ 0 0 -102.6 -14.6 -178.0 35.0 117.3 56.3 81 -1.4 0 0.0 0 0.0 0 0.0 10 64
85 A 123 LEU L t < T - 0 0 -143.3 165.4 178.8 -134.3 62.4 159.0 81 -1.4 0 0.0 0 0.0 0 0.0 10 61
86 A 124 GLN Q h > T - 0 0 -109.0 169.4 178.6 -102.0 38.6 126.0 0 0.0 90 -1.9 0 0.0 0 0.0 8 53
87 A 125 PRO P H H > TS+ 0 0 -59.9 -40.0 -179.1 45.9 122.9 26.1 0 0.0 91 -1.5 0 0.0 0 0.0 7 52
88 A 126 SER S H H > TS+ 0 0 -64.7 -64.3 -179.2 50.2 110.1 10.0 0 0.0 92 -2.5 0 0.0 0 0.0 6 45
89 A 127 ASP D H H > TS+ 0 0 -39.3 -61.9 179.8 49.5 110.9 26.5 0 0.0 93 -2.8 0 0.0 0 0.0 9 47
90 A 128 TRP W H H X >TS+ 0 0 -45.7 -48.6 -179.6 51.7 110.7 27.1 86 -1.9 94 -3.1 0 0.0 95 -0.7 12 57
91 A 129 GLN Q H H X 5TS+ 0 0 -56.2 -46.0 179.6 45.4 111.8 26.8 87 -1.5 95 -1.3 0 0.0 0 0.0 10 48
92 A 130 TYR Y H H X >TS+ 0 0 -66.1 -34.7 -178.7 41.6 121.7 35.0 88 -2.5 96 -0.5 0 0.0 97 -0.5 9 44
93 A 131 ILE I H H X >5TS+ 0 0 -75.0 -75.8 -178.1 32.7 122.0 8.9 89 -2.8 97 -1.8 0 0.0 96 -1.1 8 58
94 A 132 CYS C H H < 35TS+ 0 0 -54.7 -32.5 -177.2 53.2 121.8 39.3 90 -3.1 0 0.0 0 0.0 0 0.0 12 53
95 A 133 ASN N H H < 3 T - 0 0 -132.1 79.7 -176.6 -173.4 11.1 141.6 114 -1.7 136 -2.6 0 0.0 0 0.0 8 36
134 A 172 LEU L T T 3 TS+ 0 0 -64.8 18.6 179.9 56.1 83.2 80.0 0 0.0 0 0.0 0 0.0 0 0.0 8 34
135 A 173 THR T T T 3 TS+ 0 0 -127.2 -7.7 -178.3 116.1 84.8 65.7 0 0.0 0 0.0 0 0.0 0 0.0 6 32
136 A 174 ALA A t < T - 0 0 -68.6 165.1 178.6 -129.7 51.7 90.2 133 -2.6 0 0.0 0 0.0 0 0.0 10 43
137 A 175 CYS C - 0 0 -125.4 177.5 -174.4 -171.6 17.5 155.4 0 0.0 464 -2.2 0 0.0 0 0.0 11 49
138 A 176 MET M B B B - 221 0 -157.7 78.2 -178.8 -143.0 25.3 136.3 221 -1.0 221 -0.7 0 0.0 0 0.0 11 61
139 A 177 MET M e - 0 0 -51.0 125.6 177.7 -165.3 15.5 101.9 0 0.0 462 -2.6 0 0.0 0 0.0 12 58
140 A 178 VAL V E E BK - 461 0 -119.3 121.8 -179.4 -174.9 5.7 167.1 0 0.0 219 -2.3 0 0.0 142 -0.5 13 60
141 A 179 ALA A E E BK - 460 0 -122.5 119.5 179.6 -166.1 8.8 163.9 460 -3.6 460 -3.2 0 0.0 143 -0.8 12 50
142 A 180 VAL V E E BK - 459 0 -105.4 97.7 -179.6 -165.0 6.8 146.7 140 -0.5 144 -1.2 0 0.0 0 0.0 11 52
143 A 181 ASP D E E BK + 458 0 -86.4 95.0 176.9 143.0 32.6 132.7 458 -2.4 458 -1.6 141 -0.8 0 0.0 12 46
144 A 182 SER S + 0 0 -95.2 -40.6 177.0 77.7 60.4 37.0 142 -1.2 0 0.0 0 0.0 0 0.0 9 40
145 A 183 ASN N S S S- 0 0 -47.6 6.1 -179.0 -138.5 100.1 61.1 0 0.0 0 0.0 0 0.0 0 0.0 5 30
146 A 184 ASN N + 0 0 28.3 55.3 178.8 145.1 55.3 35.7 0 0.0 0 0.0 0 0.0 0 0.0 12 36
147 A 185 ILE I + 0 0 -81.4 -45.4 178.6 61.7 53.0 27.9 0 0.0 0 0.0 0 0.0 0 0.0 7 35
148 A 186 LEU L S S S- 0 0 -74.5 169.9 178.7 -80.7 103.2 102.4 0 0.0 0 0.0 0 0.0 0 0.0 6 45
149 A 187 PRO P - 0 0 -63.0 175.2 179.2 -109.7 43.6 94.1 0 0.0 151 -0.6 0 0.0 0 0.0 7 47
150 A 188 TYR Y + 0 0 -115.9 105.6 -177.5 179.6 34.2 161.4 0 0.0 0 0.0 0 0.0 0 0.0 7 54
151 A 189 THR T - 0 0 -108.6 79.0 177.7 -159.6 13.8 135.4 149 -0.6 153 -1.1 0 0.0 0 0.0 8 51
152 A 190 PRO P g > T - 0 0 -61.7 99.5 -178.2 -158.7 6.1 118.0 0 0.0 155 -2.8 0 0.0 0 0.0 8 52
153 A 191 ALA A G G >>TS+ 0 0 -52.5 -26.3 179.2 76.7 87.0 45.6 151 -1.1 158 -2.7 0 0.0 156 -0.7 10 52
154 A 192 ALA A G G >5TS+ 0 0 -60.5 -11.4 179.2 74.2 82.9 51.7 0 0.0 157 -0.6 0 0.0 0 0.0 13 52
155 A 193 ASN N G G <5TS+ 0 0 -63.2 -60.9 -179.6 27.5 105.6 15.6 152 -2.8 0 0.0 0 0.0 0 0.0 7 46
156 A 194 SER S G G <5TS- 0 0 -97.6 33.7 179.3 -101.9 121.1 99.3 153 -0.7 0 0.0 0 0.0 0 0.0 5 39
157 A 195 MET M T g <5TS+ 0 0 43.0 52.6 179.2 138.7 80.3 28.7 154 -0.6 0 0.0 0 0.0 0 0.0 10 48
158 A 196 GLU E t TS- 0 0 -85.5 100.9 -174.6 -155.2 73.2 138.9 0 0.0 166 -1.8 0 0.0 0 0.0 7 51
164 A 202 PRO P T T 3 TS+ 0 0 -59.3 -7.0 -179.2 55.1 90.8 57.7 0 0.0 0 0.0 0 0.0 0 0.0 11 49
165 A 203 TRP W T T 3 TS+ 0 0 -116.8 29.1 179.8 82.1 93.4 92.1 0 0.0 0 0.0 0 0.0 0 0.0 5 38
166 A 204 LYS K S t < TS- 0 0 -135.5 116.3 -179.7 -120.1 82.6 166.3 163 -1.8 0 0.0 0 0.0 0 0.0 8 37
167 A 205 PRO P - 0 0 -59.4 133.6 179.9 -174.1 37.9 111.5 0 0.0 0 0.0 0 0.0 0 0.0 10 36
168 A 206 THR T E E Ac - 33 0 -116.3 -172.8 -179.2 -125.1 13.0 116.7 32 -1.6 34 -1.6 0 0.0 0 0.0 11 43
169 A 207 ILE I E E Ac - 34 0 -137.5 164.5 -179.5 -116.5 14.9 153.8 0 0.0 0 0.0 0 0.0 0 0.0 10 50
170 A 208 ALA A e - 0 0 -86.3 -169.1 -179.7 -108.5 29.1 91.1 34 -0.7 0 0.0 0 0.0 0 0.0 14 59
171 A 209 SER S E E BE - 75 0 -131.2 117.5 179.5 -119.0 27.8 168.7 75 -2.3 75 -3.3 0 0.0 0 0.0 11 47
172 A 210 PRO P E E BE - 74 0 -58.8 127.9 -178.4 -116.8 37.7 113.7 0 0.0 0 0.0 0 0.0 0 0.0 10 52
173 A 211 TYR Y E E B* + 0 0 -74.7 126.5 178.7 161.8 44.7 123.0 73 -2.6 71 -1.7 0 0.0 0 0.0 12 61
174 A 212 ARG R E E BE - 70 0 -142.2 143.0 -180.0 -164.1 15.0 171.1 0 0.0 0 0.0 0 0.0 0 0.0 9 52
175 A 213 TYR Y E E BE - 69 0 -134.5 161.3 -177.2 -92.9 25.2 157.9 69 -1.9 69 -1.5 0 0.0 0 0.0 9 44
176 A 214 TYR Y E E BE - 68 0 -72.0 149.1 179.4 -163.7 33.1 108.3 0 0.0 0 0.0 0 0.0 0 0.0 9 42
177 A 215 PHE F e - 0 0 -135.8 144.9 -177.1 -98.5 27.2 169.1 67 -1.6 0 0.0 0 0.0 0 0.0 10 40
178 A 216 CYS C + 0 0 -73.7 130.5 -175.4 137.4 55.4 119.6 0 0.0 0 0.0 0 0.0 0 0.0 10 37
179 A 217 VAL V - 0 0 -128.5 -98.7 -179.5 -128.8 42.5 64.9 0 0.0 0 0.0 0 0.0 0 0.0 12 37
180 A 218 ASP D - 0 0 132.7 130.4 -178.2 -166.2 20.7 97.0 0 0.0 0 0.0 0 0.0 0 0.0 11 37
181 A 219 ARG R - 0 0 -140.5 167.1 179.7 -164.9 15.2 155.2 311 -2.3 0 0.0 0 0.0 0 0.0 11 40
182 A 220 ASP D B B C + 198 0 -157.2 109.1 179.7 166.7 16.9 145.9 198 -0.8 198 -0.8 0 0.0 0 0.0 12 35
183 A 221 LEU L - 0 0 -130.7 132.9 -178.8 -144.1 21.4 174.2 0 0.0 0 0.0 0 0.0 0 0.0 9 42
184 A 222 SER S - 0 0 -96.9 154.2 179.6 -107.2 21.9 128.1 0 0.0 0 0.0 0 0.0 0 0.0 7 40
185 A 223 VAL V + 0 0 -73.1 167.8 -180.0 164.5 40.4 101.7 0 0.0 0 0.0 0 0.0 0 0.0 8 37
186 A 224 THR T - 0 0 177.9 142.3 -178.1 -126.2 27.7 145.3 0 0.0 0 0.0 0 0.0 0 0.0 10 30
187 A 225 TYR Y t > T - 0 0 -109.9 139.2 178.9 -69.1 52.6 148.9 0 0.0 190 -0.8 0 0.0 0 0.0 7 26
188 A 226 GLU E T T 3 TS- 0 0 25.6 -91.9 -176.6 -7.3 121.0 82.2 0 0.0 0 0.0 0 0.0 0 0.0 7 20
189 A 227 ASN N T T 3 TS+ 0 0 -99.6 -33.3 -179.3 161.5 86.1 39.0 0 0.0 0 0.0 0 0.0 0 0.0 7 18
190 A 228 GLN Q t < T - 0 0 24.1 165.3 -179.5 -99.3 40.9 65.0 187 -0.8 0 0.0 0 0.0 0 0.0 7 17
191 A 229 GLU E S S S+ 0 0 -103.1 -177.6 179.2 20.5 78.1 112.8 0 0.0 0 0.0 0 0.0 0 0.0 4 15
192 A 230 GLY G S S S- 0 0 57.7 -150.4 -179.5 -62.3 94.6 99.1 0 0.0 0 0.0 0 0.0 0 0.0 4 16
193 A 231 THR T - 0 0 -124.9 -177.6 -179.3 -110.3 32.3 129.9 0 0.0 0 0.0 0 0.0 0 0.0 4 21
194 A 232 ILE I - 0 0 -84.6 -29.9 179.3 -150.0 42.1 41.3 0 0.0 196 -1.2 0 0.0 0 0.0 10 28
195 A 233 GLU E + 0 0 95.9 -80.4 -179.1 19.7 62.9 130.9 0 0.0 0 0.0 0 0.0 0 0.0 5 21
196 A 234 HIS H + 0 0 -136.1 140.2 177.1 173.7 40.9 171.1 194 -1.2 0 0.0 0 0.0 0 0.0 7 27
197 A 235 ASN N + 0 0 -134.1 70.7 -174.3 168.1 33.3 131.2 0 0.0 0 0.0 0 0.0 0 0.0 8 40
198 A 236 VAL V B B C - 182 0 -101.5 147.0 178.0 -155.2 27.9 133.3 182 -0.8 182 -0.8 0 0.0 0 0.0 8 34
199 A 237 MET M - 0 0 -75.6 -120.4 179.6 -108.1 33.6 43.5 0 0.0 0 0.0 0 0.0 0 0.0 10 36
200 A 238 GLY G - 0 0 172.3 117.9 179.2 -136.1 15.9 123.2 0 0.0 0 0.0 0 0.0 0 0.0 8 32
201 A 239 THR T - 0 0 -68.4 176.1 -179.7 -52.1 61.2 91.8 0 0.0 0 0.0 0 0.0 0 0.0 6 28
202 A 240 PRO P - 0 0 -59.7 120.2 179.4 -150.8 47.0 114.5 0 0.0 204 -1.1 0 0.0 0 0.0 7 26
203 A 241 LYS K t > T - 0 0 -88.2 50.4 -179.6 -153.3 11.7 111.7 0 0.0 205 -4.6 0 0.0 206 -2.1 10 21
204 A 242 GLY G T T 3 TS+ 0 0 -23.7 48.0 179.7 57.9 88.4 74.8 202 -1.1 0 0.0 0 0.0 0 0.0 5 13
205 A 243 MET M T T 3 TS+ 0 0 -150.7 -40.9 -179.2 33.4 109.2 69.4 203 -4.6 0 0.0 0 0.0 0 0.0 4 14
206 A 244 ASN N S t < TS+ 0 0 -105.0 -2.9 179.3 129.5 86.7 68.0 203 -2.1 0 0.0 0 0.0 0 0.0 6 22
207 A 245 SER S + 0 0 -55.8 138.5 -178.9 174.3 29.0 104.9 0 0.0 0 0.0 0 0.0 0 0.0 9 25
208 A 246 GLN Q + 0 0 -153.7 75.4 -179.1 174.4 0.3 120.2 0 0.0 210 -0.6 0 0.0 0 0.0 6 32
209 A 247 PHE F - 0 0 -91.7 119.3 -179.6 -175.6 11.0 140.9 0 0.0 0 0.0 0 0.0 0 0.0 5 34
210 A 248 PHE F - 0 0 -110.3 168.8 -179.8 -155.0 15.2 128.0 208 -0.6 0 0.0 0 0.0 0 0.0 7 36
211 A 249 THR T h > > T - 0 0 -152.1 112.8 180.0 -155.6 11.9 152.3 0 0.0 215 -1.9 0 0.0 214 -1.3 6 41
212 A 250 ILE I H H > 3 TS+ 0 0 -52.6 -40.8 179.9 61.1 100.3 31.1 0 0.0 216 -1.6 0 0.0 0 0.0 8 47
213 A 251 GLU E H H 4 3 TS+ 0 0 -78.9 30.7 -178.7 36.0 114.7 91.6 0 0.0 0 0.0 0 0.0 0 0.0 7 35
214 A 252 ASN N H H 4 < TS+ 0 0 -148.6 -36.6 -176.2 32.1 124.0 65.0 211 -1.3 0 0.0 0 0.0 0 0.0 7 26
215 A 253 THR T H H < TS+ 0 0 -102.4 -36.5 -177.2 49.8 113.7 39.9 211 -1.9 0 0.0 0 0.0 0 0.0 8 28
216 A 254 GLN Q S h < TS- 0 0 -116.0 144.6 179.0 -115.9 80.2 151.1 212 -1.6 0 0.0 0 0.0 0 0.0 9 32
217 A 255 GLN Q - 0 0 -71.1 152.0 -179.8 -142.4 24.7 109.4 0 0.0 0 0.0 0 0.0 0 0.0 9 33
218 A 256 ILE I - 0 0 -126.2 125.7 179.8 -154.8 4.0 171.1 0 0.0 220 -0.9 0 0.0 0 0.0 9 38
219 A 257 THR T - 0 0 -102.4 92.6 -180.0 -141.9 18.7 145.7 140 -2.3 221 -0.8 0 0.0 0 0.0 8 36
220 A 258 LEU L - 0 0 -59.3 99.5 -179.6 -161.6 23.0 114.0 218 -0.9 0 0.0 0 0.0 0 0.0 9 40
221 A 259 LEU L B B B + 138 0 -90.7 132.0 178.6 178.6 13.2 136.6 219 -0.8 138 -1.0 138 -0.7 0 0.0 13 50
222 A 260 ARG R - 0 0 -98.8 -124.5 178.8 -72.6 50.6 65.9 0 0.0 0 0.0 0 0.0 0 0.0 11 45
223 A 261 THR T S S S+ 0 0 -106.5 -47.5 179.6 40.9 129.0 39.0 0 0.0 112 -0.8 0 0.0 0 0.0 13 40
224 A 262 GLY G S S S+ 0 0 -90.4 26.8 -179.0 112.0 96.5 87.8 0 0.0 0 0.0 0 0.0 0 0.0 13 35
225 A 263 ASP D - 0 0 -108.4 138.7 180.0 -160.8 50.2 148.9 0 0.0 0 0.0 0 0.0 0 0.0 10 38
226 A 264 GLU E - 0 0 -118.4 122.2 176.2 -167.0 2.3 164.4 0 0.0 0 0.0 0 0.0 0 0.0 12 43
227 A 265 PHE F E E AI + 109 0 -108.7 131.1 -179.3 163.9 17.4 157.6 109 -0.8 109 -2.4 0 0.0 0 0.0 10 46
228 A 266 ALA A E E AI - 108 0 -148.3 142.0 179.3 -141.4 24.0 176.1 0 0.0 0 0.0 0 0.0 0 0.0 8 46
229 A 267 THR T e - 0 0 -92.7 176.4 178.4 -101.7 28.1 110.8 107 -2.0 0 0.0 0 0.0 0 0.0 7 39
230 A 268 GLY G - 0 0 -90.5 174.1 -179.8 -78.5 49.4 111.5 0 0.0 232 -1.0 0 0.0 0 0.0 6 30
231 A 269 THR T - 0 0 -79.6 104.3 -179.9 -149.7 45.7 130.1 0 0.0 233 -0.7 0 0.0 0 0.0 8 31
232 A 270 TYR Y - 0 0 -78.2 113.3 178.7 -149.1 9.9 130.0 105 -2.1 0 0.0 230 -1.0 0 0.0 8 39
233 A 271 TYR Y - 0 0 -85.6 137.6 -177.8 -137.0 11.3 131.6 231 -0.7 0 0.0 0 0.0 0 0.0 7 33
234 A 272 PHE F - 0 0 -98.5 148.0 179.1 -166.5 15.8 133.4 103 -0.8 0 0.0 0 0.0 0 0.0 9 39
235 A 273 ASP D + 0 0 -130.8 63.0 179.9 128.8 43.8 124.6 0 0.0 452 -1.5 0 0.0 0 0.0 8 32
236 A 274 THR T - 0 0 -118.6 162.0 -179.1 -99.5 59.9 140.9 0 0.0 0 0.0 0 0.0 0 0.0 10 38
237 A 275 ASN N - 0 0 -80.6 145.5 -179.9 -101.4 45.0 119.7 0 0.0 0 0.0 0 0.0 0 0.0 7 39
238 A 276 PRO P - 0 0 -60.7 171.8 178.6 -129.9 28.9 93.2 0 0.0 0 0.0 0 0.0 0 0.0 9 41
239 A 277 VAL V E E CG - 100 0 -130.1 131.2 -178.4 -130.6 13.3 174.4 100 -3.3 100 -2.1 0 0.0 241 -0.5 10 51
240 A 278 LYS K E E CG - 99 0 -89.0 122.8 179.9 -160.9 7.0 137.5 0 0.0 0 0.0 0 0.0 0 0.0 10 48
241 A 279 LEU L e + 0 0 -90.0 29.6 -179.9 95.8 66.6 94.3 98 -1.9 0 0.0 239 -0.5 0 0.0 14 54
242 A 280 THR T - 0 0 -125.0 145.0 179.9 -146.4 62.6 160.0 0 0.0 0 0.0 0 0.0 0 0.0 12 53
243 A 281 HIS H - 0 0 -113.0 149.3 -178.6 -148.5 11.1 146.9 544 -3.1 0 0.0 542 -0.8 0 0.0 13 50
244 A 282 THR T + 0 0 -105.2 -177.5 -179.9 177.0 21.0 111.8 0 0.0 365 -0.5 0 0.0 0 0.0 13 45
245 A 283 TRP W + 0 0 -172.4 11.0 -179.0 128.7 37.2 78.0 0 0.0 247 -1.2 0 0.0 0 0.0 12 43
246 A 284 GLN Q - 0 0 -89.3 96.0 178.6 -179.2 34.8 135.2 0 0.0 0 0.0 0 0.0 0 0.0 13 39
247 A 285 THR T - 0 0 -64.0 -146.4 178.8 -86.4 48.2 58.7 245 -1.2 0 0.0 0 0.0 0 0.0 10 46
248 A 286 ASN N S S S+ 0 0 -105.1 -18.3 179.4 57.7 129.5 55.5 0 0.0 0 0.0 0 0.0 0 0.0 10 40
249 A 287 ARG R S S S+ 0 0 -94.0 10.5 -177.6 54.7 105.5 79.8 0 0.0 0 0.0 0 0.0 0 0.0 7 33
250 A 288 GLN Q S S S+ 0 0 -145.1 55.8 -179.7 92.7 83.9 113.6 0 0.0 0 0.0 0 0.0 0 0.0 8 33
251 A 289 LEU L S S S+ 0 0 -155.7 95.9 178.6 5.0 79.4 137.5 0 0.0 0 0.0 0 0.0 0 0.0 11 30
252 A 290 GLY G S S S- 0 0 129.6 -165.6 -179.2 -16.8 103.8 146.3 0 0.0 0 0.0 0 0.0 0 0.0 6 29
253 A 291 GLN Q - 0 0 -77.8 112.9 179.0 -131.2 65.6 130.0 0 0.0 0 0.0 0 0.0 0 0.0 4 28
254 A 292 PRO P - 0 0 -59.3 159.6 -179.8 -77.7 42.7 102.2 0 0.0 0 0.0 0 0.0 0 0.0 5 32
255 A 293 PRO P - 0 0 -58.9 156.6 -179.8 -95.3 55.4 101.6 0 0.0 0 0.0 0 0.0 0 0.0 5 35
256 A 294 LEU L - 0 0 -79.0 124.4 -179.9 -136.1 33.4 129.1 0 0.0 258 -0.7 0 0.0 0 0.0 6 24
257 A 295 LEU L + 0 0 -86.9 111.4 180.0 171.1 28.7 139.0 0 0.0 0 0.0 0 0.0 0 0.0 9 20
258 A 296 SER S S S S+ 0 0 -91.8 -17.6 179.6 42.7 74.5 54.1 269 -0.9 0 0.0 256 -0.7 0 0.0 8 19
259 A 297 THR T B B D S- 269 0 -136.0 128.6 -179.0 -166.7 71.0 177.3 269 -0.7 269 -0.8 0 0.0 0 0.0 7 18
260 A 298 PHE F - 0 0 -114.3 149.1 178.8 -97.9 31.1 147.1 0 0.0 0 0.0 0 0.0 0 0.0 8 17
261 A 299 PRO P - 0 0 -58.9 165.7 -179.0 -146.6 20.0 98.8 0 0.0 0 0.0 0 0.0 0 0.0 9 14
262 A 300 GLU E S S S- 0 0 -116.3 1.2 179.8 -11.8 77.3 73.4 0 0.0 0 0.0 0 0.0 0 0.0 5 12
263 A 301 ALA A S S S- 0 0 159.8 130.0 179.6 -57.1 100.2 120.2 0 0.0 0 0.0 0 0.0 0 0.0 5 9
264 A 302 ASP D S S S+ 0 0 -19.8 116.6 -179.1 48.5 119.6 77.4 0 0.0 0 0.0 0 0.0 0 0.0 6 9
265 A 303 THR T S S S+ 0 0 101.6 65.7 -179.5 77.5 91.7 34.5 0 0.0 0 0.0 0 0.0 0 0.0 5 10
266 A 304 ASP D - 0 0 161.0 89.0 -179.6 -156.9 62.0 95.7 0 0.0 0 0.0 0 0.0 0 0.0 7 13
267 A 305 ALA A - 0 0 -73.1 168.6 -179.9 -104.8 22.6 99.6 0 0.0 0 0.0 0 0.0 0 0.0 7 16
268 A 306 GLY G - 0 0 -89.2 175.0 -179.6 -138.0 25.1 106.8 0 0.0 0 0.0 0 0.0 0 0.0 9 18
269 A 307 THR T B B D - 259 0 -142.3 137.7 179.3 -141.8 6.0 177.3 259 -0.8 258 -0.9 0 0.0 259 -0.7 8 21
270 A 308 LEU L - 0 0 -80.5 -166.4 -177.2 -85.3 35.9 86.6 0 0.0 0 0.0 0 0.0 0 0.0 9 25
271 A 309 THR T - 0 0 -118.2 148.1 -179.7 -52.4 63.1 150.5 0 0.0 0 0.0 0 0.0 0 0.0 9 23
272 A 310 ALA A g > > T - 0 0 -15.0 111.3 -178.8 -139.0 48.8 71.0 0 0.0 275 -1.8 0 0.0 276 -0.5 7 21
273 A 311 GLN Q G G 4 > TS+ 0 0 -45.1 -60.3 -179.9 45.4 103.3 26.5 0 0.0 276 -1.6 0 0.0 287 -1.2 9 28
274 A 312 GLY G G G 4 3 TS+ 0 0 -80.1 32.4 179.2 46.2 118.5 91.6 0 0.0 0 0.0 0 0.0 0 0.0 7 24
275 A 313 SER S G G 4 < TS+ 0 0 -148.3 -3.7 -179.7 111.2 88.0 75.7 272 -1.8 0 0.0 0 0.0 0 0.0 8 20
276 A 314 ARG R g < < T - 0 0 -81.1 134.7 177.6 -122.6 68.0 126.1 273 -1.6 0 0.0 272 -0.5 0 0.0 9 27
277 A 315 HIS H + 0 0 -76.3 151.6 -179.2 81.7 62.9 118.1 0 0.0 0 0.0 0 0.0 0 0.0 5 26
278 A 316 GLY G - 0 0 143.7 -179.0 -179.6 -78.4 68.4 148.2 0 0.0 0 0.0 0 0.0 0 0.0 6 29
279 A 317 ALA A + 0 0 -114.3 168.3 179.6 174.4 34.2 131.8 0 0.0 0 0.0 0 0.0 0 0.0 7 26
280 A 318 THR T - 0 0 -168.1 158.2 -179.4 -138.8 34.0 161.8 0 0.0 0 0.0 0 0.0 0 0.0 9 29
281 A 319 GLN Q S S S+ 0 0 -109.5 14.5 -178.7 89.8 81.7 83.1 291 -0.6 0 0.0 0 0.0 0 0.0 7 25
282 A 320 MET M S S S- 0 0 -114.6 143.9 -174.1 -126.0 82.3 151.8 0 0.0 0 0.0 0 0.0 0 0.0 6 26
283 A 321 GLU E S S S+ 0 0 -78.0 14.5 -179.5 107.1 75.3 74.1 0 0.0 0 0.0 0 0.0 0 0.0 7 23
284 A 322 VAL V S S S- 0 0 -86.3 178.5 -179.5 -118.8 74.2 103.9 0 0.0 0 0.0 0 0.0 0 0.0 6 30
285 A 323 ASN N S S S+ 0 0 -120.8 71.3 179.6 63.8 84.5 132.0 0 0.0 0 0.0 0 0.0 0 0.0 7 27
286 A 324 TRP W S S S- 0 0 166.4 109.7 -178.7 -133.7 70.9 112.4 0 0.0 0 0.0 0 0.0 0 0.0 9 29
287 A 325 VAL V - 0 0 -78.4 133.5 178.9 -176.6 26.4 123.8 273 -1.2 0 0.0 0 0.0 0 0.0 13 33
288 A 326 SER S t > T - 0 0 -122.4 171.4 -179.6 -108.0 42.2 135.6 0 0.0 292 -2.1 0 0.0 0 0.0 7 37
289 A 327 GLU E T T 4 TS+ 0 0 -80.9 0.7 -179.3 41.6 123.6 66.4 0 0.0 0 0.0 0 0.0 0 0.0 6 37
290 A 328 ALA A T T 4 TS+ 0 0 -116.1 -30.6 -179.5 43.0 117.8 52.1 0 0.0 0 0.0 0 0.0 0 0.0 5 39
291 A 329 ILE I T T 4 TS+ 0 0 -81.6 -50.1 179.9 109.6 87.0 25.1 0 0.0 281 -0.6 0 0.0 0 0.0 9 38
292 A 330 ARG R S t < TS- 0 0 -34.7 138.9 -176.1 -104.7 77.2 79.6 288 -2.1 0 0.0 0 0.0 0 0.0 11 35
293 A 331 THR T - 0 0 -79.7 121.6 175.3 -175.0 43.0 135.3 0 0.0 0 0.0 0 0.0 0 0.0 7 34
294 A 332 ARG R - 0 0 -109.2 173.3 179.7 -101.6 38.0 127.2 0 0.0 0 0.0 0 0.0 0 0.0 8 34
295 A 333 PRO P S S S- 0 0 -61.4 -47.6 -178.8 -28.8 88.7 25.9 0 0.0 0 0.0 0 0.0 0 0.0 5 29
296 A 334 ALA A S S S- 0 0 -154.1 -166.1 -179.2 -73.6 70.1 144.6 0 0.0 298 -0.7 0 0.0 0 0.0 8 33
297 A 335 GLN Q E E Dl - 416 0 -108.1 95.0 179.8 -144.8 41.4 148.4 415 -3.3 417 -1.3 0 0.0 0 0.0 11 39
298 A 336 VAL V E E Dl - 417 0 -62.1 121.5 -179.4 -20.6 67.9 114.7 296 -0.7 0 0.0 0 0.0 0 0.0 11 47
299 A 337 GLY G S e S- 0 0 59.4 162.6 180.0 -111.3 80.1 72.7 417 -0.9 0 0.0 0 0.0 0 0.0 11 53
300 A 338 PHE F - 0 0 -132.5 153.2 -179.2 -111.6 16.5 161.7 0 0.0 302 -1.1 0 0.0 0 0.0 13 46
301 A 339 CYS C - 0 0 -85.3 98.8 179.8 -171.4 38.8 134.0 0 0.0 411 -1.0 0 0.0 0 0.0 10 56
302 A 340 GLN Q - 0 0 -92.4 141.9 177.2 -104.7 32.2 134.0 300 -1.1 0 0.0 0 0.0 0 0.0 13 46
303 A 341 PRO P t > T - 0 0 -63.0 119.1 -177.2 -142.4 42.2 118.9 0 0.0 306 -0.6 0 0.0 0 0.0 11 41
304 A 342 HIS H T T 3 TS+ 0 0 -95.9 134.1 178.1 12.2 72.3 138.3 0 0.0 0 0.0 0 0.0 0 0.0 12 45
305 A 343 ASN N T T 3 TS+ 0 0 79.4 28.6 178.2 164.2 84.8 41.7 0 0.0 0 0.0 0 0.0 0 0.0 9 37
306 A 344 ASP D t < T - 0 0 -52.5 -153.4 179.8 -160.1 24.1 67.6 303 -0.6 0 0.0 0 0.0 0 0.0 8 32
307 A 345 PHE F - 0 0 162.0 95.8 -178.3 -174.3 10.3 104.4 0 0.0 0 0.0 0 0.0 0 0.0 8 35
308 A 346 GLU E B B E - 315 0 -97.4 -179.1 -178.9 -150.6 7.2 109.1 315 -1.9 315 -1.2 0 0.0 0 0.0 9 28
309 A 347 ALA A + 0 0 -146.6 173.5 -179.9 140.5 25.0 154.5 0 0.0 0 0.0 0 0.0 0 0.0 8 27
310 A 348 SER S S S S- 0 0 -174.8 -131.8 179.4 -29.3 72.8 135.3 0 0.0 0 0.0 0 0.0 0 0.0 7 27
311 A 349 ARG R S S S+ 0 0 -82.9 -52.4 170.6 26.9 146.5 22.3 0 0.0 181 -2.3 0 0.0 0 0.0 7 33
312 A 350 ALA A S S S- 0 0 -81.5 10.1 179.4 -152.1 113.4 64.5 0 0.0 0 0.0 0 0.0 0 0.0 10 43
313 A 351 GLY G + 0 0 59.6 -129.4 -173.5 77.8 44.8 110.3 0 0.0 0 0.0 0 0.0 0 0.0 10 35
314 A 352 PRO P + 0 0 -61.9 147.1 175.1 137.2 37.5 101.5 0 0.0 0 0.0 0 0.0 0 0.0 11 36
315 A 353 PHE F B B E - 308 0 -173.8 127.9 175.4 -123.1 43.2 146.8 308 -1.2 308 -1.9 0 0.0 0 0.0 8 30
316 A 354 ALA A - 0 0 -46.7 157.8 178.5 -125.7 38.2 92.4 0 0.0 0 0.0 0 0.0 0 0.0 9 34
317 A 355 ALA A - 0 0 -118.1 121.7 -172.0 -121.4 29.5 167.2 0 0.0 0 0.0 0 0.0 0 0.0 8 34
318 A 356 PRO P - 0 0 -59.4 179.6 -179.1 -137.3 16.1 79.3 0 0.0 0 0.0 0 0.0 0 0.0 5 39
319 A 357 LYS K - 0 0 -138.0 147.5 172.7 -123.8 14.9 158.2 0 0.0 0 0.0 0 0.0 0 0.0 10 53
320 A 358 VAL V - 0 0 -91.8 127.3 -171.4 -97.2 53.2 149.0 0 0.0 0 0.0 0 0.0 0 0.0 8 54
321 A 359 PRO P + 0 0 -57.6 146.9 179.2 159.9 51.8 94.0 0 0.0 0 0.0 0 0.0 0 0.0 13 57
322 A 360 ALA A - 0 0 -165.5 135.6 -178.8 -82.3 45.4 155.0 333 -0.9 0 0.0 0 0.0 0 0.0 16 56
323 A 361 ASP D - 0 0 -28.3 175.7 -179.7 -118.2 38.3 69.1 0 0.0 0 0.0 0 0.0 0 0.0 16 51
324 A 362 VAL V t > T - 0 0 -124.5 51.1 179.9 -129.3 41.3 111.1 0 0.0 328 -1.6 0 0.0 0 0.0 17 40
325 A 363 THR T T T 4 > T - 0 0 11.5 162.6 -179.2 -71.6 41.3 55.2 0 0.0 328 -4.5 0 0.0 0 0.0 10 36
326 A 364 GLN Q T T 4 3 TS+ 0 0 -55.9 6.1 -179.6 57.7 139.3 69.7 0 0.0 0 0.0 0 0.0 0 0.0 5 27
327 A 365 GLY G T T 4 3 TS- 0 0 -117.2 -5.0 179.9 -131.6 105.4 68.8 0 0.0 0 0.0 0 0.0 0 0.0 8 24
328 A 366 MET M t < < T - 0 0 46.0 70.4 178.3 -179.8 30.2 18.0 325 -4.5 0 0.0 324 -1.6 0 0.0 7 31
329 A 367 ASP D t > T + 0 0 -72.3 -2.8 178.9 167.4 17.3 62.0 0 0.0 331 -9.6 0 0.0 332 -2.5 10 41
330 A 368 ARG R T T 3>T + 0 0 10.8 -20.0 -178.3 52.5 67.6 71.4 0 0.0 335 -0.9 0 0.0 0 0.0 10 40
331 A 369 GLU E T T 35TS+ 0 0 -104.8 -24.3 177.2 43.7 111.1 46.0 329 -9.6 0 0.0 0 0.0 0 0.0 9 41
332 A 370 ALA A T T <5TS+ 0 0 -78.5 -83.6 175.2 55.8 104.6 20.4 329 -2.5 334 -9.9 0 0.0 0 0.0 12 53
333 A 371 ASN N T T 5TS- 0 0 -46.8 45.3 -178.5 -122.6 115.9 89.7 0 0.0 322 -0.9 0 0.0 0 0.0 16 55
334 A 372 GLY G T T 5T - 0 0 0.5 67.5 175.6 -179.6 42.6 64.1 332 -9.9 336 -0.7 0 0.0 0 0.0 12 54
335 A 373 SER S t TS+ 0 0 -4.9 -61.9 -177.7 65.9 125.0 56.8 0 0.0 345 -2.9 0 0.0 344 -1.6 9 48
343 A 381 GLN Q T T 3 TS+ 0 0 -64.5 27.8 179.3 25.5 119.0 83.3 0 0.0 0 0.0 0 0.0 0 0.0 12 56
344 A 382 HIS H T T 3 TS- 0 0 -176.4 21.7 179.9 -50.3 139.2 80.5 342 -1.6 0 0.0 0 0.0 0 0.0 13 62
345 A 383 GLY G S t < TS+ 0 0 139.9 -139.9 -179.6 129.3 73.4 175.6 342 -2.9 0 0.0 0 0.0 0 0.0 12 54
346 A 384 GLU E S S S- 0 0 60.0 150.2 -178.9 -66.2 84.2 61.0 0 0.0 348 -4.6 0 0.0 0 0.0 15 40
347 A 385 ASN N - 0 0 -67.2 57.7 176.8 -137.6 55.9 104.4 0 0.0 349 -9.9 0 0.0 0 0.0 9 38
348 A 386 TRP W S S S+ 0 0 -4.8 19.5 -179.6 54.4 100.4 66.3 346 -4.6 0 0.0 534 -0.6 0 0.0 10 38
349 A 387 ALA A S S S+ 0 0 -157.2 30.1 -179.5 114.9 84.4 88.4 347 -9.9 0 0.0 0 0.0 0 0.0 7 29
350 A 388 ALA A - 0 0 -97.7 -179.6 -179.5 -140.7 48.2 108.8 0 0.0 0 0.0 0 0.0 0 0.0 6 26
351 A 389 HIS H + 0 0 -136.7 175.5 179.7 61.2 54.5 143.2 0 0.0 0 0.0 0 0.0 0 0.0 5 16
352 A 390 GLY G S S S- 0 0 71.0 120.7 179.8 -94.5 87.5 40.8 0 0.0 354 -6.3 0 0.0 0 0.0 4 13
353 A 391 PRO P S S S+ 0 0 -60.1 56.1 -178.7 136.9 83.8 97.2 0 0.0 0 0.0 0 0.0 0 0.0 4 17
354 A 392 ALA A - 0 0 -111.6 111.9 179.5 -143.5 46.5 158.6 352 -6.3 0 0.0 0 0.0 0 0.0 5 20
355 A 393 PRO P - 0 0 -60.5 -177.1 179.3 -142.4 10.5 86.3 0 0.0 0 0.0 0 0.0 0 0.0 8 29
356 A 394 GLU E B B F + 340 0 -153.9 138.2 -178.5 171.8 20.3 165.6 340 -1.0 340 -3.5 0 0.0 0 0.0 9 33
357 A 395 ARG R - 0 0 -133.8 -170.9 -179.7 -136.1 26.0 129.4 0 0.0 0 0.0 0 0.0 0 0.0 8 37
358 A 396 TYR Y - 0 0 -160.4 94.9 -179.8 -129.0 26.0 133.2 0 0.0 0 0.0 0 0.0 0 0.0 8 38
359 A 397 THR T - 0 0 -51.6 114.3 -179.7 -137.7 26.2 106.0 0 0.0 361 -0.5 0 0.0 0 0.0 8 37
360 A 398 TRP W - 0 0 -84.0 122.7 179.8 -168.9 17.7 134.1 0 0.0 362 -0.6 0 0.0 0 0.0 7 49
361 A 399 ASP D - 0 0 -117.9 95.7 -178.4 -129.1 23.7 152.2 359 -0.5 0 0.0 0 0.0 0 0.0 11 51
362 A 400 GLU E - 0 0 -35.1 164.8 178.9 -143.1 2.3 73.4 360 -0.6 0 0.0 0 0.0 0 0.0 12 58
363 A 401 THR T S S S+ 0 0 -106.9 -27.3 180.0 109.3 72.2 51.1 0 0.0 365 -8.2 0 0.0 0 0.0 9 53
364 A 402 ASN N g > > T + 0 0 -49.7 47.5 179.9 162.5 52.8 91.1 0 0.0 367 -0.8 0 0.0 368 -0.5 12 58
365 A 403 PHE F G G 4 > T + 0 0 -40.4 -131.8 179.7 55.0 52.6 43.5 363 -8.2 367 -9.9 244 -0.5 368 -0.7 15 55
366 A 404 GLY G G G 4 3 TS+ 0 0 10.5 -0.2 -179.6 64.8 108.9 60.6 0 0.0 0 0.0 0 0.0 0 0.0 11 45
367 A 405 SER S G G 4 < TS+ 0 0 -103.4 -45.9 -179.6 88.8 81.2 37.8 365 -9.9 0 0.0 364 -0.8 0 0.0 14 57
368 A 406 GLY G g < < T - 0 0 -47.8 171.3 -179.8 -132.2 69.3 80.0 365 -0.7 0 0.0 364 -0.5 0 0.0 14 58
369 A 407 ARG R - 0 0 -140.2 128.2 178.8 -136.3 5.3 174.0 0 0.0 0 0.0 0 0.0 0 0.0 12 55
370 A 408 ASP D - 0 0 -85.5 129.3 -178.2 -162.6 6.0 134.8 0 0.0 0 0.0 0 0.0 0 0.0 12 47
371 A 409 THR T S S S+ 0 0 -94.5 8.7 -179.2 74.6 81.9 75.9 0 0.0 0 0.0 0 0.0 0 0.0 9 44
372 A 410 ARG R S S S+ 0 0 -113.4 33.6 179.8 40.4 99.6 98.1 0 0.0 0 0.0 0 0.0 0 0.0 6 33
373 A 411 ASP D S S S+ 0 0 -163.1 12.7 176.8 150.6 74.5 80.9 0 0.0 0 0.0 0 0.0 0 0.0 7 29
374 A 412 GLY G + 0 0 -30.0 -159.3 179.4 171.8 21.9 65.6 0 0.0 0 0.0 0 0.0 0 0.0 9 39
375 A 413 PHE F + 0 0 140.5 125.8 -179.8 178.5 20.6 101.8 0 0.0 0 0.0 0 0.0 0 0.0 8 37
376 A 414 ILE I - 0 0 -154.5 123.9 -180.0 -165.2 9.4 158.8 0 0.0 391 -1.0 0 0.0 0 0.0 7 37
377 A 415 GLN Q B B G - 390 0 -99.1 -179.9 -178.1 -117.8 17.9 110.0 0 0.0 0 0.0 0 0.0 0 0.0 10 28
378 A 416 SER S - 0 0 -112.9 -174.3 -179.4 -54.0 46.7 115.1 389 -0.5 0 0.0 0 0.0 0 0.0 8 21
379 A 417 ALA A S S S+ 0 0 -26.9 -110.9 179.8 36.8 124.6 36.7 0 0.0 381 -1.4 0 0.0 0 0.0 5 20
380 A 418 PRO P S S S- 0 0 -57.0 92.1 -175.8 -132.1 96.1 111.2 0 0.0 382 -6.7 0 0.0 0 0.0 6 21
381 A 419 LEU L - 0 0 -44.2 40.8 178.1 -171.3 30.2 88.1 379 -1.4 0 0.0 0 0.0 0 0.0 10 28
382 A 420 VAL V - 0 0 -42.5 115.5 -179.6 -148.1 14.4 100.1 380 -6.7 0 0.0 0 0.0 0 0.0 8 25
383 A 421 VAL V S S S+ 0 0 -56.3 -68.5 177.7 61.9 92.3 8.4 0 0.0 0 0.0 0 0.0 0 0.0 4 28
384 A 422 PRO P S S S- 0 0 -57.8 70.1 -174.2 -156.7 95.7 103.5 0 0.0 0 0.0 0 0.0 0 0.0 4 20
385 A 423 PRO P - 0 0 -60.3 120.7 175.0 -137.7 5.1 108.9 0 0.0 0 0.0 0 0.0 0 0.0 9 19
386 A 424 PRO P - 0 0 -57.6 -168.2 -178.7 -107.0 26.3 83.1 0 0.0 0 0.0 0 0.0 0 0.0 6 18
387 A 425 LEU L S t > TS+ 0 0 -91.8 -47.3 -179.9 53.5 117.5 30.1 0 0.0 390 -1.5 0 0.0 0 0.0 6 21
388 A 426 ASN N T T 3 TS+ 0 0 -71.3 10.7 -179.3 60.5 106.9 72.7 0 0.0 0 0.0 0 0.0 0 0.0 4 20
389 A 427 GLY G T T 3 TS+ 0 0 -128.4 28.2 179.8 56.0 102.2 93.8 0 0.0 378 -0.5 0 0.0 0 0.0 8 19
390 A 428 ILE I B B G < T - 377 0 -155.7 165.5 179.5 -152.5 55.8 165.6 387 -1.5 0 0.0 0 0.0 0 0.0 11 27
391 A 429 LEU L + 0 0 -147.9 95.7 -178.5 174.8 27.5 143.9 376 -1.0 0 0.0 0 0.0 0 0.0 10 34
392 A 430 THR T - 0 0 -91.4 -168.9 -176.7 -85.0 49.4 94.9 0 0.0 0 0.0 0 0.0 0 0.0 9 31
393 A 431 ASN N S S S+ 0 0 -76.9 -14.3 -177.2 51.7 125.1 54.5 0 0.0 0 0.0 0 0.0 0 0.0 12 35
394 A 432 ALA A S S S+ 0 0 -99.9 -13.6 -177.2 108.6 79.7 54.5 0 0.0 0 0.0 0 0.0 0 0.0 7 27
395 A 433 ASN N S S S- 0 0 -73.2 113.1 -177.6 -126.6 71.4 123.7 0 0.0 0 0.0 0 0.0 0 0.0 8 30
396 A 434 PRO P - 0 0 -59.0 160.6 179.7 -161.8 21.7 95.2 0 0.0 0 0.0 0 0.0 0 0.0 11 24
397 A 435 ILE I S S S+ 0 0 -151.7 119.6 179.9 12.4 72.3 158.3 403 -1.2 0 0.0 400 -1.1 0 0.0 9 21
398 A 436 GLY G S S S- 0 0 97.1 -7.9 180.0 -75.0 123.1 76.3 0 0.0 0 0.0 0 0.0 0 0.0 5 17
399 A 437 THR T S S S+ 0 0 97.5 2.9 178.9 128.1 102.5 67.4 0 0.0 0 0.0 0 0.0 0 0.0 5 12
400 A 438 LYS K - 0 0 -94.4 130.4 -177.4 -149.3 51.7 142.7 0 0.0 397 -1.1 0 0.0 0 0.0 8 17
401 A 439 ASN N S S S+ 0 0 -59.5 -79.4 -176.6 32.5 93.6 6.2 0 0.0 0 0.0 0 0.0 0 0.0 7 17
402 A 440 ASP D S S S+ 0 0 -69.0 10.4 177.7 99.2 100.7 72.4 0 0.0 404 -0.7 0 0.0 0 0.0 6 21
403 A 441 ILE I + 0 0 -104.1 106.3 -176.8 177.9 57.3 153.3 0 0.0 397 -1.2 0 0.0 0 0.0 9 28
404 A 442 HIS H - 0 0 -100.0 -173.8 -177.0 -107.9 42.3 104.0 402 -0.7 0 0.0 0 0.0 0 0.0 13 35
405 A 443 PHE F S t > > TS+ 0 0 -92.6 -17.0 179.0 70.9 109.9 55.1 0 0.0 409 -2.4 0 0.0 408 -1.2 10 36
406 A 444 SER S T T 4 3 TS+ 0 0 -72.6 -16.5 -179.1 65.7 89.8 48.5 0 0.0 0 0.0 0 0.0 0 0.0 12 42
407 A 445 ASN N T T 4 3 TS+ 0 0 -80.1 -13.5 -178.7 27.9 114.3 55.9 0 0.0 0 0.0 0 0.0 0 0.0 11 46
408 A 446 VAL V T T 4 < TS+ 0 0 -118.9 -29.9 -179.0 114.7 93.1 51.7 405 -1.2 0 0.0 0 0.0 0 0.0 9 38
409 A 447 PHE F t < T - 0 0 -43.7 157.7 179.7 -175.6 38.7 86.4 405 -2.4 0 0.0 0 0.0 0 0.0 9 38
410 A 448 ASN N + 0 0 -165.6 96.5 -179.2 178.1 9.0 129.4 0 0.0 412 -0.8 0 0.0 0 0.0 8 37
411 A 449 SER S + 0 0 -108.6 81.8 179.2 137.6 27.8 139.5 301 -1.0 0 0.0 0 0.0 0 0.0 7 34
412 A 450 TYR Y + 0 0 -125.3 65.5 -178.6 165.2 27.5 127.4 410 -0.8 0 0.0 0 0.0 0 0.0 8 27
413 A 451 GLY G t > T - 0 0 -80.8 160.1 -179.9 -96.5 58.7 110.2 0 0.0 416 -0.9 0 0.0 0 0.0 6 18
414 A 452 PRO P T T 3 TS+ 0 0 -60.1 10.7 -179.8 70.1 123.4 67.0 0 0.0 0 0.0 0 0.0 0 0.0 4 17
415 A 453 LEU L T e 3 TS+ 0 0 -120.6 39.2 -178.0 117.3 77.1 105.2 0 0.0 297 -3.3 0 0.0 0 0.0 7 20
416 A 454 THR T E E Dl < T + 297 0 -117.9 143.2 178.8 167.5 31.7 153.6 413 -0.9 0 0.0 0 0.0 0 0.0 11 32
417 A 455 THR T E E Dl + 298 0 -137.5 175.0 179.6 157.2 3.1 142.2 297 -1.3 299 -0.9 0 0.0 0 0.0 9 39
418 A 456 PHE F - 0 0 164.7 156.1 -178.8 -88.8 38.7 143.0 0 0.0 0 0.0 0 0.0 0 0.0 7 53
419 A 457 SER S - 0 0 -84.3 153.1 -180.0 -103.6 43.3 118.1 0 0.0 0 0.0 0 0.0 0 0.0 5 57
420 A 458 HIS H - 0 0 -72.4 143.1 178.9 -87.8 49.2 114.2 0 0.0 0 0.0 0 0.0 0 0.0 7 58
421 A 459 PRO P - 0 0 -58.8 116.9 -177.9 -133.0 52.4 116.0 0 0.0 0 0.0 0 0.0 0 0.0 11 56
422 A 460 SER S - 0 0 -70.8 155.1 179.5 -93.3 24.1 103.9 0 0.0 0 0.0 0 0.0 0 0.0 11 64
423 A 461 PRO P - 0 0 -60.6 176.0 179.0 -138.3 26.5 90.9 0 0.0 0 0.0 0 0.0 0 0.0 10 68
424 A 462 VAL V - 0 0 -143.6 90.6 -177.1 -139.0 14.9 142.3 0 0.0 0 0.0 0 0.0 0 0.0 12 66
425 A 463 TYR Y S S S+ 0 0 -15.7 -108.0 -179.9 26.7 82.3 48.7 539 -0.5 0 0.0 0 0.0 0 0.0 12 59
426 A 464 PRO P S S S+ 0 0 -59.0 167.6 -179.6 3.1 134.0 97.4 0 0.0 428 -1.3 0 0.0 0 0.0 12 61
427 A 465 GLN Q S S S+ 0 0 59.1 -90.8 180.0 113.9 97.8 113.5 0 0.0 81 -0.6 0 0.0 0 0.0 13 61
428 A 466 GLY G - 0 0 -2.4 153.7 -180.0 -110.3 68.2 61.1 426 -1.3 81 -1.2 0 0.0 0 0.0 12 64
429 A 467 GLN Q - 0 0 -88.5 -172.9 -179.3 -157.3 19.6 96.6 0 0.0 0 0.0 0 0.0 0 0.0 13 58
430 A 468 ILE I + 0 0 -129.2 -83.0 -179.6 6.4 63.7 62.2 0 0.0 449 -2.0 0 0.0 0 0.0 11 63
431 A 469 TRP W B B h - 449 0 -111.6 161.0 -179.7 -173.3 56.7 136.6 0 0.0 0 0.0 0 0.0 0 0.0 10 62
432 A 470 ASP D - 0 0 -159.9 130.8 179.5 -115.7 25.5 158.2 449 -0.8 0 0.0 0 0.0 0 0.0 11 51
433 A 471 LYS K - 0 0 -36.8 -148.8 179.7 -108.5 39.7 53.7 0 0.0 0 0.0 0 0.0 0 0.0 10 50
434 A 472 GLU E - 0 0 -162.2 128.7 180.0 -100.6 25.6 154.0 0 0.0 0 0.0 0 0.0 0 0.0 7 38
435 A 473 LEU L - 0 0 -54.7 120.0 -178.8 -130.0 31.8 108.1 0 0.0 437 -3.0 0 0.0 0 0.0 5 30
436 A 474 ASP D + 0 0 -70.4 49.4 -179.5 140.3 60.8 103.1 0 0.0 0 0.0 0 0.0 0 0.0 5 24
437 A 475 LEU L - 0 0 -104.9 129.8 179.5 -126.4 64.5 150.6 435 -3.0 0 0.0 0 0.0 0 0.0 5 14
438 A 476 GLU E S S S+ 0 0 -33.4 -49.5 176.4 33.5 106.9 35.0 0 0.0 0 0.0 0 0.0 0 0.0 4 10
439 A 477 HIS H S S S- 0 0 -107.9 152.1 -176.0 -162.8 87.4 142.5 0 0.0 0 0.0 0 0.0 0 0.0 4 11
440 A 478 LYS K - 0 0 -142.7 159.5 177.8 -88.0 23.8 162.4 0 0.0 0 0.0 0 0.0 0 0.0 7 17
441 A 479 PRO P - 0 0 -60.6 151.2 -178.9 -128.3 31.2 105.3 0 0.0 0 0.0 0 0.0 0 0.0 5 29
442 A 480 ARG R S S S- 0 0 -68.7 -28.3 -177.5 -8.7 90.9 40.6 0 0.0 0 0.0 0 0.0 0 0.0 4 34
443 A 481 LEU L - 0 0 -159.5 169.8 174.1 -119.2 62.9 159.4 0 0.0 0 0.0 0 0.0 0 0.0 6 37
444 A 482 HIS H - 0 0 -118.8 133.4 -175.6 -159.7 12.7 163.7 0 0.0 0 0.0 0 0.0 0 0.0 9 42
445 A 483 ILE I S S S+ 0 0 -84.4 -19.2 -176.9 73.3 91.3 70.5 0 0.0 0 0.0 0 0.0 0 0.0 9 48
446 A 484 THR T S S S+ 0 0 -77.9 -6.8 -179.7 7.1 110.5 60.1 0 0.0 0 0.0 0 0.0 0 0.0 6 48
447 A 485 ALA A - 0 0 -165.6 138.3 179.7 -132.8 56.8 157.6 0 0.0 0 0.0 0 0.0 0 0.0 13 59
448 A 486 PRO P S S S+ 0 0 -60.4 -32.3 -179.9 51.3 96.1 33.5 0 0.0 0 0.0 0 0.0 0 0.0 14 54
449 A 487 PHE F B B h - 431 0 -116.2 133.5 178.7 -177.4 60.8 157.6 430 -2.0 432 -0.8 0 0.0 0 0.0 12 54
450 A 488 VAL V - 0 0 -126.7 105.4 178.2 -125.6 30.2 157.9 0 0.0 0 0.0 0 0.0 0 0.0 13 45
451 A 489 CYS C - 0 0 -46.0 134.1 -179.2 -149.7 14.1 101.2 0 0.0 0 0.0 0 0.0 0 0.0 13 44
452 A 490 LYS K S S S+ 0 0 -80.4 -27.1 180.0 30.6 79.9 39.4 235 -1.5 0 0.0 0 0.0 0 0.0 8 35
453 A 491 ASN N S S S- 0 0 -110.7 -161.6 176.4 -34.8 119.0 104.5 0 0.0 0 0.0 0 0.0 0 0.0 5 29
454 A 492 ASN N - 0 0 -43.2 -177.5 178.5 -134.7 69.4 81.2 0 0.0 0 0.0 0 0.0 0 0.0 7 31
455 A 493 ALA A - 0 0 -138.3 177.4 -179.9 -61.2 29.6 147.6 0 0.0 0 0.0 0 0.0 0 0.0 10 47
456 A 494 PRO P - 0 0 -61.1 149.8 179.9 -113.5 56.9 104.6 0 0.0 0 0.0 0 0.0 0 0.0 7 55
457 A 495 GLY G - 0 0 -91.1 138.0 -175.4 -112.0 30.4 135.4 0 0.0 0 0.0 0 0.0 0 0.0 9 50
458 A 496 GLN Q E E B K - 0 143 -72.4 149.5 -174.9 -134.8 21.1 108.9 143 -1.6 143 -2.4 0 0.0 460 -0.6 12 61
459 A 497 MET M E E BFK - 76 142 -117.9 110.0 -178.7 -172.3 20.6 164.5 76 -0.7 76 -1.8 0 0.0 0 0.0 11 67
460 A 498 LEU L E E BFK - 75 141 -106.1 133.3 -176.9 -169.6 1.9 148.5 141 -3.2 141 -3.6 458 -0.6 0 0.0 13 69
461 A 499 VAL V E E BFK + 74 140 -129.9 135.9 179.5 168.3 9.4 167.0 74 -4.5 74 -2.3 0 0.0 0 0.0 12 66
462 A 500 ARG R e - 0 0 -146.7 151.0 172.3 -111.9 35.7 172.5 139 -2.6 0 0.0 0 0.0 0 0.0 13 62
463 A 501 LEU L - 0 0 -74.3 150.0 175.6 -120.0 37.8 122.4 0 0.0 0 0.0 0 0.0 0 0.0 14 59
464 A 502 GLY G - 0 0 -90.7 139.7 -179.0 -94.9 38.2 139.7 137 -2.2 0 0.0 0 0.0 0 0.0 9 51
465 A 503 PRO P - 0 0 -61.7 121.4 173.8 -156.9 36.1 115.1 0 0.0 467 -0.6 0 0.0 0 0.0 6 45
466 A 504 ASN N - 0 0 -99.6 119.0 -174.7 -153.1 19.0 155.6 0 0.0 481 -1.6 0 0.0 0 0.0 9 39
467 A 505 LEU L B B I - 480 0 -99.2 163.6 177.1 -143.8 8.7 120.0 465 -0.6 0 0.0 0 0.0 0 0.0 9 32
468 A 506 THR T - 0 0 -105.1 -166.8 -176.5 -80.7 43.1 103.1 479 -0.6 0 0.0 470 -0.5 0 0.0 8 23
469 A 507 ASP D S S S+ 0 0 -73.8 -27.8 178.2 56.5 112.9 41.0 0 0.0 0 0.0 0 0.0 0 0.0 4 14
470 A 508 GLN Q + 0 0 -112.2 144.5 176.9 140.7 53.2 151.4 0 0.0 468 -0.5 0 0.0 0 0.0 6 16
471 A 509 TYR Y + 0 0 -178.5 83.0 173.6 164.3 5.9 106.5 0 0.0 0 0.0 0 0.0 0 0.0 9 17
472 A 510 ASP D - 0 0 -105.0 105.2 -167.5 -150.5 29.4 155.2 0 0.0 0 0.0 0 0.0 0 0.0 6 13
473 A 511 PRO P S S S+ 0 0 -59.0 -22.4 163.9 77.1 94.6 42.6 0 0.0 475 -0.8 0 0.0 0 0.0 6 17
474 A 512 ASN N S S S+ 0 0 -70.4 37.6 178.3 113.0 78.3 92.3 0 0.0 476 -0.5 0 0.0 0 0.0 4 9
475 A 513 GLY G - 0 0 -115.8 120.9 -179.5 -143.6 68.7 164.3 473 -0.8 0 0.0 0 0.0 0 0.0 7 15
476 A 514 ALA A S S S+ 0 0 -43.7 -60.4 178.9 17.6 93.0 22.4 474 -0.5 0 0.0 0 0.0 0 0.0 5 13
477 A 515 THR T S S S- 0 0 -119.2 127.2 -177.1 -144.6 83.2 166.0 0 0.0 0 0.0 0 0.0 0 0.0 4 17
478 A 516 LEU L - 0 0 -101.2 141.7 -179.0 -123.9 12.6 139.5 0 0.0 0 0.0 0 0.0 0 0.0 8 23
479 A 517 SER S + 0 0 -81.7 131.9 177.0 170.0 33.2 126.8 0 0.0 468 -0.6 0 0.0 0 0.0 8 24
480 A 518 ARG R B B I - 467 0 -140.7 151.6 -179.4 -105.3 35.1 166.0 0 0.0 0 0.0 0 0.0 0 0.0 8 35
481 A 519 ILE I - 0 0 -78.1 139.1 179.2 -102.6 40.6 121.6 466 -1.6 483 -0.9 0 0.0 0 0.0 8 39
482 A 520 VAL V e + 0 0 -65.2 102.8 -177.8 172.2 55.1 118.9 0 0.0 117 -1.3 0 0.0 0 0.0 9 38
483 A 521 THR T E E A H + 0 116 -123.6 133.8 178.6 159.7 9.3 163.5 481 -0.9 0 0.0 0 0.0 0 0.0 12 44
484 A 522 TYR Y E E A H - 0 115 -140.0 170.7 -177.9 -161.2 14.4 151.6 115 -2.0 115 -2.1 0 0.0 0 0.0 12 51
485 A 523 GLY G E E ABH - 35 114 -165.0 158.6 177.4 -137.2 16.7 176.2 35 -1.8 35 -2.3 0 0.0 0 0.0 12 53
486 A 524 THR T E E ABH + 34 113 -111.8 131.8 162.9 161.4 24.5 160.8 113 -1.5 113 -4.5 0 0.0 0 0.0 12 56
487 A 525 PHE F E E ABH - 33 112 -146.1 105.4 149.3 -132.1 29.1 174.7 33 -2.4 33 -3.3 0 0.0 0 0.0 12 64
488 A 526 PHE F E E ABH - 32 110 -24.3 157.8 -179.8 -154.1 16.6 139.5 110 -0.9 110 -1.6 111 -0.5 0 0.0 12 56
489 A 527 TRP W E E ABH - 31 109 -153.4 138.3 -179.9 -164.3 4.7 156.9 31 -2.7 31 -0.7 0 0.0 0 0.0 13 66
490 A 528 LYS K E E ABH - 30 108 -128.5 150.2 -177.4 -152.4 7.7 159.2 108 -2.8 108 -1.9 0 0.0 0 0.0 14 59
491 A 529 GLY G E E ABH - 29 107 -141.7 133.8 165.3 -167.1 13.9 175.9 29 -2.1 29 -1.5 0 0.0 0 0.0 13 57
492 A 530 LYS K E E ABH + 28 106 -109.3 113.6 175.4 169.2 16.6 177.5 106 -1.4 106 -2.9 0 0.0 0 0.0 12 49
493 A 531 LEU L E E ABH - 27 105 -125.3 121.8 -176.8 -163.5 14.4 177.4 27 -2.7 27 -3.2 0 0.0 0 0.0 13 55
494 A 532 THR T E E AB + 26 0 -115.1 137.4 179.8 173.0 11.2 154.1 104 -2.2 103 -3.9 0 0.0 0 0.0 12 53
495 A 533 MET M E E AB - 25 0 -139.8 150.0 178.3 -154.2 16.4 168.1 25 -2.9 25 -2.8 0 0.0 0 0.0 12 57
496 A 534 ARG R E E AB + 24 0 -132.8 126.7 -176.2 165.8 23.3 170.5 0 0.0 0 0.0 0 0.0 0 0.0 12 47
497 A 535 ALA A E E AB - 23 0 -139.3 168.6 -175.2 -113.6 28.5 151.0 23 -1.4 23 -2.7 0 0.0 0 0.0 14 46
498 A 536 LYS K E E AB - 22 0 -104.9 154.0 179.4 -116.6 26.0 130.3 0 0.0 98 -1.5 0 0.0 0 0.0 11 38
499 A 537 LEU L B e A - 97 0 -94.4 122.7 177.0 -117.9 36.9 135.8 21 -1.0 0 0.0 0 0.0 0 0.0 11 38
500 A 538 ARG R - 0 0 -61.8 151.6 -177.1 -134.3 22.1 117.7 96 -0.9 0 0.0 0 0.0 0 0.0 8 40
501 A 539 ALA A - 0 0 -99.3 178.7 -173.7 -124.7 10.6 125.6 0 0.0 503 -0.8 0 0.0 0 0.0 5 30
502 A 540 ASN N + 0 0 -141.3 92.9 -166.6 149.4 42.4 136.3 0 0.0 0 0.0 0 0.0 0 0.0 4 23
503 A 541 THR T + 0 0 -94.5 -22.3 -179.4 68.2 53.3 49.4 501 -0.8 0 0.0 0 0.0 0 0.0 4 18
504 A 542 THR T - 0 0 -78.6 -154.9 176.8 -136.0 69.1 77.7 0 0.0 0 0.0 0 0.0 0 0.0 5 14
505 A 543 TRP W S S S+ 0 0 -132.4 -41.2 178.0 78.2 81.6 63.9 0 0.0 0 0.0 0 0.0 0 0.0 4 12
506 A 544 ASN N S S S- 0 0 -77.3 134.9 179.4 -116.8 86.7 125.1 0 0.0 0 0.0 0 0.0 0 0.0 4 14
507 A 545 PRO P - 0 0 -56.1 -178.0 178.3 -137.7 38.4 88.6 0 0.0 0 0.0 0 0.0 0 0.0 5 18
508 A 546 VAL V - 0 0 -147.6 166.2 -174.6 -75.9 17.9 162.1 0 0.0 0 0.0 0 0.0 0 0.0 5 29
509 A 547 TYR Y + 0 0 -65.6 148.7 179.9 167.3 49.0 101.7 0 0.0 0 0.0 0 0.0 0 0.0 6 35
510 A 548 GLN Q - 0 0 -151.7 176.5 178.2 -86.6 38.5 154.4 0 0.0 0 0.0 0 0.0 0 0.0 7 35
511 A 549 VAL V + 0 0 -94.2 132.5 -179.9 157.0 50.8 139.8 0 0.0 0 0.0 0 0.0 0 0.0 8 38
512 A 550 SER S - 0 0 -146.7 172.7 179.9 -120.6 38.5 153.2 0 0.0 514 -0.5 0 0.0 0 0.0 5 36
513 A 551 VAL V - 0 0 -127.7 109.0 -177.1 -153.7 31.5 164.2 0 0.0 0 0.0 0 0.0 0 0.0 7 30
514 A 552 GLU E B B j - 522 0 -78.6 169.9 177.1 -85.1 29.6 100.6 521 -1.5 523 -1.3 512 -0.5 0 0.0 9 22
515 A 553 ASP D S S S- 0 0 -46.6 -131.6 -168.0 -73.4 71.5 47.3 0 0.0 0 0.0 0 0.0 0 0.0 6 16
516 A 554 ASN N S S S+ 0 0 -150.1 91.4 178.5 121.9 79.3 147.8 0 0.0 0 0.0 0 0.0 0 0.0 8 17
517 A 555 GLY G S S S- 0 0 -109.8 -82.7 160.2 -78.7 82.9 53.1 0 0.0 0 0.0 0 0.0 0 0.0 6 14
518 A 556 ASN N S S S+ 0 0 -169.7 -4.4 -179.5 128.8 84.0 80.8 0 0.0 0 0.0 0 0.0 0 0.0 5 14
519 A 557 SER S S S S- 0 0 -63.4 140.6 178.8 -115.3 70.3 107.7 0 0.0 0 0.0 0 0.0 0 0.0 7 18
520 A 558 TYR Y S S S+ 0 0 -39.1 -47.8 -179.0 58.4 112.1 34.3 0 0.0 522 -1.1 0 0.0 0 0.0 5 29
521 A 559 MET M S S S+ 0 0 -95.9 86.6 179.4 120.5 75.8 138.1 0 0.0 514 -1.5 0 0.0 0 0.0 8 29
522 A 560 SER S B B j > T - 514 0 -154.6 116.4 -179.0 -123.7 63.2 152.6 520 -1.1 525 -2.4 0 0.0 0 0.0 13 27
523 A 561 VAL V G G > TS+ 0 0 -18.1 -99.4 -178.3 68.0 100.5 42.9 514 -1.3 526 -3.1 0 0.0 0 0.0 10 30
524 A 562 THR T G G 3 TS+ 0 0 -0.6 -38.2 -179.6 72.6 90.9 58.5 0 0.0 0 0.0 0 0.0 0 0.0 7 30
525 A 563 LYS K G G < TS+ 0 0 -55.8 -33.4 -175.9 23.3 112.0 36.0 522 -2.4 535 -0.6 0 0.0 0 0.0 11 37
526 A 564 TRP W S g < TS+ 0 0 -101.1 -67.2 -179.4 79.3 103.6 29.2 523 -3.1 0 0.0 0 0.0 0 0.0 10 46
527 A 565 LEU L S S S- 0 0 -44.9 145.3 -177.8 -101.5 88.5 93.6 0 0.0 0 0.0 0 0.0 0 0.0 7 30
528 A 566 PRO P - 0 0 -60.4 -167.0 -177.8 -114.7 34.7 77.4 0 0.0 0 0.0 0 0.0 0 0.0 9 30
529 A 567 THR T - 0 0 -130.5 166.3 178.6 -76.6 40.1 142.9 0 0.0 0 0.0 0 0.0 0 0.0 7 19
530 A 568 ALA A S S S+ 0 0 -25.3 -68.5 173.6 26.0 135.0 33.6 0 0.0 0 0.0 0 0.0 0 0.0 4 14
531 A 569 THR T S S S- 0 0 -60.6 -107.9 178.5 -95.6 121.8 37.3 0 0.0 0 0.0 0 0.0 0 0.0 5 14
532 A 570 GLY G + 0 0 -179.6 67.6 174.7 146.9 61.4 96.6 0 0.0 0 0.0 0 0.0 0 0.0 6 24
533 A 571 ASN N - 0 0 -98.0 176.2 -177.9 -156.0 26.8 118.5 0 0.0 0 0.0 0 0.0 0 0.0 9 32
534 A 572 MET M - 0 0 -163.6 131.2 175.4 -161.4 8.8 154.8 0 0.0 348 -0.6 0 0.0 0 0.0 14 38
535 A 573 GLN Q - 0 0 -104.8 162.5 174.6 -159.3 4.5 132.1 525 -0.6 0 0.0 0 0.0 0 0.0 11 49
536 A 574 SER S - 0 0 -139.3 126.7 178.9 -162.8 10.2 166.6 0 0.0 0 0.0 0 0.0 0 0.0 11 58
537 A 575 VAL V - 0 0 -118.6 128.7 177.9 -113.1 26.5 166.4 0 0.0 0 0.0 0 0.0 0 0.0 8 57
538 A 576 PRO P - 0 0 -59.5 131.6 -178.8 -160.4 41.0 115.6 0 0.0 0 0.0 0 0.0 0 0.0 9 60
539 A 577 LEU L - 0 0 -112.4 169.2 -179.7 -93.1 19.9 127.8 0 0.0 425 -0.5 0 0.0 0 0.0 7 55
540 A 578 ILE I - 0 0 -85.0 132.2 174.8 -172.7 30.4 131.1 0 0.0 0 0.0 0 0.0 0 0.0 8 55
541 A 579 THR T S S S+ 0 0 -130.8 100.7 -179.7 46.6 70.8 151.9 0 0.0 0 0.0 0 0.0 0 0.0 13 62
542 A 580 ARG R + 0 0 147.8 10.2 -180.0 159.4 59.1 74.4 0 0.0 544 -1.7 0 0.0 243 -0.8 12 53
543 A 581 PRO P + 0 0 -61.1 89.5 178.1 77.7 49.6 113.1 0 0.0 0 0.0 0 0.0 0 0.0 13 46
544 A 582 VAL V S S S- 0 0 161.4 128.0 -178.5 -110.2 75.6 118.4 542 -1.7 243 -3.1 0 0.0 0 0.0 11 47
545 A 583 ALA A - 0 0 -49.1 -174.2 -178.0 -170.4 16.9 65.9 0 0.0 0 0.0 0 0.0 0 0.0 8 44
546 A 584 ARG R - 0 0 -174.4 18.6 -179.6 -120.9 35.5 77.3 0 0.0 0 0.0 0 0.0 0 0.0 8 40
547 A 585 ASN N - 0 0 23.1 91.5 -178.7 -164.2 28.2 38.8 0 0.0 0 0.0 0 0.0 0 0.0 7 38
548 A 586 THR T 0 0 -64.4 -59.6 177.8 999.9 999.9 14.3 0 0.0 0 0.0 0 0.0 0 0.0 7 36
549 A 587 TYR Y 0 0 -122.4 999.9 999.9 999.9 999.9 51.2 0 0.0 0 0.0 0 0.0 0 0.0 6 31
1mvmA.pdb
1MVM COMPLEX(VIRAL COAT PROTEIN/DNA) MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand SS EEEEE SSSEEEEEEEEEEEEEE S SS EEEEE TTSSSSSS TT EEEEEEEEEEE SSTTT HHHHHHHHHHBSEE Kabs/Sand
chirality ++--+--+++-------+-+------+----------+-+------+-++++++-+++++++++------+----+++-++++--++++++++++---- chirality
bends SS SSS S SS SSSSSSSS S S SSSSS SSSSSSSSSS S bends
turns TTTT TTTT TTTTTTTTTTTTTTTTT turns
5-turns >5>55<5< 5-turns
3-turns >33< >33< >33< >33< 3-turns
bridge-2 BBBBBBBBBBBBBB EEE***EE bridge-2
bridge-1 AAAAA AAAAA cc DDDDD DDDDD FFF A GG bridge-1
sheets AAAAA AAAAAAAAAAAAAA BBBBB BBBBBBBBBBB CC sheets
4-turns >444<>>>>XXXX<<<< 4-turns
summary SS eEEEEEeSSeEEEEEEEEEEEEEE S SS EEEEE tTTtSSSSS tTTt EEEEEEEEEEE StTTTthHHHHHHHHHHheEE summary
sequence GVGVSTGSYDNQTHYRFLGDGWVEITALATRLVHLNMPKSENYCRIRVHNTTDTSVKGNMAKDDAHEQIWTPWSLVDANAWGVWLQPSDWQYICNTMSQL sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand EEEEEEEEEEEEEEEE SSSS EEEEEE TT B EEEE S S GGGGT SSTTS EE EEEEEE B TT SS B Kabs/Sand
chirality -+----+-++---+----+++++------+---++-------++-++--+--+++-++---+-++-------+----+---+--+---+-+---+++--- chirality
bends SSSS SS S S SSSSS SSSSS SS SS bends
turns TTTT TTTTTTT TTTT TTTT turns
5-turns >5555< 5-turns
3-turns >33< >>><<< >33< >33< 3-turns
bridge-2 II JJJJJJ bridge-2
bridge-1 HHHHHH*HHHHH JJJJJJ B KKKK cc EE*EEE C C bridge-1
sheets AAAAAAAAAAAAAAAA AAAAAA BBBB AA BBBBBB sheets
4-turns 4-turns
summary eEEEEEEEEEEEEEEEE SSSS EEEEEEeTTt BeEEEE S S gGGGGgt StTTt EEeEEEEEEe B tTTtSS B summary
sequence NLVSLDQEIFNVVLKTVTEQDSGGQAIKIYNNDLTACMMVAVDSNNILPYTPAANSMETLGFYPWKPTIASPYRYYFCVDRDLSVTYENQEGTIEHNVMG sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand TTS HHHHS B SS EE EE SSSSS SB SSSS B GGG SSSSSS TTTS SSEES Kabs/Sand
chirality ---+++++---++++-----+-++--+-------+-----+--++--++++-----++-----++-------+++-+-+-+-+-+---+++--------- chirality
bends SSS SSSSS SS SSSSS SS SSSS SSS SSSSSS SSSS SS S bends
turns TTTT TTTTTT TTTTT TTTTT turns
5-turns 5-turns
3-turns >33< >33< >>3<< 3-turns
bridge-2 bridge-2
bridge-1 B II GG D D ll bridge-1
sheets AA CC DD sheets
4-turns >>44<< >444< >444< 4-turns
summary tTTt hHHHHh B SS EEe EEe SSSSS SB SSSS B gGGGg SSSSSS tTTTt SSEEe summary
sequence TPKGMNSQFFTIENTQQITLLRTGDEFATGTYYFDTNPVKLTHTWQTNRQLGQPPLLSTFPEADTDAGTLTAQGSRHGATQMEVNWVSEAIRTRPAQVGF sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand TT B SSS B TTT TTTTT B STTSS SS SS B S GGG SSS B SS SS STTB SSS SSS Kabs/Sand
chirality ---++---+-+-++------+----+--++++------+--++-+--++-+-+--+------+++++---+++++---+---+---+++-+-++--+-+- chirality
bends SS SSS SS SSS SSSSS SS SS S SS SSS SS SS SSS SSS SSS bends
turns TTTT TTTTTTTTTTTT TTTT TTTTT TTTT turns
5-turns >5555< 5-turns
3-turns >33< >33<>33< >33< >>3<< >33< 3-turns
bridge-2 bridge-2
bridge-1 E E F F G G bridge-1
sheets sheets
4-turns >444< >444< 4-turns
summary tTTt B SSS B tTTTttTTTTTt B tTTtS SS SS B SgGGGg SSS B SS SS tTTB SSS SSS summary
sequence CQPHNDFEASRAGPFAAPKVPADVTQGMDREANGSVRYSYGKQHGENWAAHGPAPERYTWDETNFGSGRDTRDGFIQSAPLVVPPPLNGILTNANPIGTK sequence
310 320 330 340 350 360 370 380 390 400
author author
Kabs/Sand SS STTT TTEE SSS B SS S SS SB SS EEEE B S SS SS B EEEEEEEEEEEEEEEEB Kabs/Sand
chirality +++-++++-+++-++++-------+++--+-----+-+------++-+---+--------+-------+++-++-+--+--++--+-----+-+-+---- chirality
bends SS SSSS SS SSS SS S SS S SS S SS SS bends
turns TTTTT TTTT turns
5-turns 5-turns
3-turns >33< >33< 3-turns
bridge-2 KKKK HHHHHHHHHHH bridge-2
bridge-1 ll h h FFF I I BBBBBBBBBBBBBBA bridge-1
sheets DD BBBB AAAAAAAAAAAAAAAA sheets
4-turns >444< 4-turns
summary SS tTTTt tTeEE SSS B SS S SS SB SS EEEEe B S SS SS B eEEEEEEEEEEEEEEEEe summary
sequence NDIHFSNVFNSYGPLTTFSHPSPVYPQGQIWDKELDLEHKPRLHITAPFVCKNNAPGQMLVRLGPNLTDQYDPNGATLSRIVTYGTFFWKGKLTMRAKLR sequence
410 420 430 440 450 460 470 480 490 500
author author
Kabs/Sand SS BSSSSSSSBGGGSS SS S S Kabs/Sand
chirality -++-+---+-+----+-+-++-++++---+-+--------+++---- chirality
bends SS SSSSSSS SSSSS SS S S bends
turns TTTTT turns
5-turns 5-turns
3-turns >>3<< 3-turns
bridge-2 bridge-2
bridge-1 j j bridge-1
sheets sheets
4-turns 4-turns
summary SS BSSSSSSSBGGGgS SS S S summary
sequence ANTTWNPVYQVSVEDNGNSYMSVTKWLPTATGNMQSVPLITRPVARNTY sequence
510 520 530 540
Messages
atoms too close 334 332 1.790 1.782 0.843 2.384
atoms too close 349 347 1.610 1.627 0.787 2.370
atoms too close 367 365 1.506 1.460 0.604 2.291