| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
| 1 |
1 |
|
E |
111 |
31 |
6727 |
◊ |
B |
x,y,z |
1_555 |
115 |
29 |
6776 |
1068.1 |
-12.6 |
0.118 |
20 |
2 |
0 |
0.545 |
2 |
|
H |
113 |
34 |
7106 |
◊ |
F |
x,y,z |
1_555 |
113 |
33 |
6744 |
1042.8 |
-11.5 |
0.186 |
23 |
2 |
0 |
0.545 |
3 |
|
E |
112 |
28 |
6727 |
◊ |
D |
x,y,z |
1_555 |
108 |
30 |
6703 |
1036.5 |
-13.5 |
0.077 |
20 |
2 |
0 |
0.545 |
4 |
|
J |
114 |
30 |
7225 |
◊ |
I |
x,y,z |
1_555 |
110 |
31 |
6677 |
1035.6 |
-12.2 |
0.153 |
21 |
2 |
0 |
0.545 |
5 |
|
C |
112 |
29 |
6653 |
◊ |
B |
x,y,z |
1_555 |
110 |
30 |
6776 |
1034.8 |
-12.7 |
0.106 |
22 |
2 |
0 |
0.545 |
6 |
|
D |
111 |
29 |
6703 |
◊ |
A |
x,y,z |
1_555 |
109 |
30 |
6872 |
1023.3 |
-11.9 |
0.159 |
20 |
2 |
0 |
0.545 |
7 |
|
I |
109 |
28 |
6677 |
◊ |
F |
x,y,z |
1_555 |
104 |
31 |
6744 |
1022.5 |
-11.9 |
0.135 |
19 |
2 |
0 |
0.545 |
8 |
|
H |
111 |
28 |
7106 |
◊ |
G |
x,y,z |
1_555 |
104 |
30 |
6598 |
1018.9 |
-11.7 |
0.134 |
20 |
2 |
0 |
0.545 |
9 |
|
J |
107 |
30 |
7225 |
◊ |
G |
x,y,z |
1_555 |
114 |
29 |
6598 |
1018.8 |
-12.4 |
0.124 |
19 |
2 |
0 |
0.545 |
10 |
|
C |
106 |
28 |
6653 |
◊ |
A |
x,y,z |
1_555 |
110 |
28 |
6872 |
1016.1 |
-11.8 |
0.132 |
18 |
2 |
0 |
0.545 |
| Average: |
1031.7 |
-12.2 |
0.132 |
20 |
2 |
0 |
0.545 |
| 2 |
11 |
|
F |
31 |
10 |
6744 |
◊ |
E |
x,y,z |
1_555 |
40 |
15 |
6727 |
296.3 |
0.8 |
0.666 |
7 |
0 |
0 |
0.000 |
| 3 |
12 |
|
[SIA]E:203 |
20 |
1 |
434 |
f |
E |
x,y,z |
1_555 |
40 |
12 |
6727 |
250.1 |
-1.1 |
0.432 |
8 |
0 |
0 |
0.089 |
13 |
|
[SIA]H:202 |
20 |
1 |
433 |
f |
H |
x,y,z |
1_555 |
42 |
13 |
7106 |
249.8 |
-1.0 |
0.449 |
7 |
0 |
0 |
0.089 |
14 |
|
[SIA]D:202 |
20 |
1 |
438 |
f |
D |
x,y,z |
1_555 |
40 |
15 |
6703 |
248.1 |
-0.6 |
0.453 |
9 |
0 |
0 |
0.089 |
15 |
|
[SIA]I:203 |
20 |
1 |
434 |
f |
I |
x,y,z |
1_555 |
39 |
14 |
6677 |
247.4 |
-0.7 |
0.466 |
8 |
0 |
0 |
0.089 |
16 |
|
[SIA]C:202 |
20 |
1 |
436 |
f |
C |
x,y,z |
1_555 |
41 |
14 |
6653 |
247.2 |
-0.6 |
0.471 |
8 |
0 |
0 |
0.089 |
17 |
|
[SIA]A:203 |
21 |
1 |
444 |
f |
A |
x,y,z |
1_555 |
42 |
16 |
6872 |
245.0 |
-0.9 |
0.496 |
8 |
0 |
0 |
0.089 |
18 |
|
[SIA]J:202 |
20 |
1 |
436 |
f |
J |
x,y,z |
1_555 |
42 |
14 |
7225 |
241.5 |
-1.0 |
0.455 |
8 |
0 |
0 |
0.089 |
| Average: |
247.0 |
-0.8 |
0.460 |
8 |
0 |
0 |
0.089 |
| 4 |
19 |
|
H |
24 |
9 |
7106 |
◊ |
A |
x,y,z |
1_555 |
34 |
14 |
6872 |
222.5 |
-0.7 |
0.560 |
1 |
0 |
0 |
0.000 |
| 5 |
20 |
|
D |
23 |
6 |
6703 |
◊ |
J |
x,y-1,z |
1_545 |
25 |
7 |
7225 |
211.3 |
-0.9 |
0.578 |
4 |
0 |
0 |
0.000 |
| 6 |
21 |
|
[SIA]I:201 |
16 |
1 |
430 |
f |
I |
x,y,z |
1_555 |
32 |
11 |
6677 |
206.6 |
-1.3 |
0.409 |
9 |
0 |
0 |
0.047 |
22 |
|
[SIA]E:201 |
17 |
1 |
430 |
f |
E |
x,y,z |
1_555 |
34 |
11 |
6727 |
206.3 |
-0.6 |
0.459 |
8 |
0 |
0 |
0.047 |
23 |
|
[SIA]A:201 |
16 |
1 |
425 |
f |
A |
x,y,z |
1_555 |
31 |
11 |
6872 |
199.2 |
-1.6 |
0.398 |
8 |
0 |
0 |
0.047 |
| Average: |
204.1 |
-1.2 |
0.422 |
8 |
0 |
0 |
0.047 |
| 7 |
24 |
|
[MES]J:201 |
11 |
1 |
329 |
f |
J |
x,y,z |
1_555 |
26 |
10 |
7225 |
167.4 |
4.5 |
0.104 |
0 |
0 |
0 |
0.000 |
| 8 |
25 |
|
H |
20 |
3 |
7106 |
◊ |
C |
x,y,z |
1_555 |
23 |
8 |
6653 |
166.7 |
-0.9 |
0.514 |
2 |
2 |
0 |
0.000 |
| 9 |
26 |
|
[MES]H:201 |
11 |
1 |
336 |
◊ |
H |
x,y,z |
1_555 |
26 |
9 |
7106 |
163.8 |
5.0 |
0.268 |
0 |
0 |
0 |
0.000 |
| 10 |
27 |
|
[PEG]B:202 |
7 |
1 |
259 |
f |
B |
x,y,z |
1_555 |
29 |
10 |
6776 |
163.1 |
3.3 |
0.419 |
1 |
0 |
0 |
0.000 |
| 11 |
28 |
|
[PEG]G:203 |
7 |
1 |
261 |
f |
G |
x,y,z |
1_555 |
29 |
10 |
6598 |
162.4 |
3.3 |
0.390 |
3 |
0 |
0 |
0.000 |
| 12 |
29 |
|
[MES]G:201 |
10 |
1 |
333 |
f |
G |
x,y,z |
1_555 |
22 |
9 |
6598 |
154.9 |
4.5 |
0.290 |
0 |
0 |
0 |
0.000 |
| 13 |
30 |
|
[MES]C:201 |
11 |
1 |
336 |
f |
C |
x,y,z |
1_555 |
25 |
9 |
6653 |
149.5 |
4.3 |
0.104 |
0 |
0 |
0 |
0.000 |
| 14 |
31 |
|
[MES]B:201 |
10 |
1 |
331 |
f |
B |
x,y,z |
1_555 |
22 |
8 |
6776 |
141.8 |
3.5 |
0.155 |
0 |
0 |
0 |
0.000 |
| 15 |
32 |
|
A |
19 |
6 |
6872 |
◊ |
J |
x,y-1,z |
1_545 |
21 |
5 |
7225 |
139.1 |
-1.1 |
0.501 |
2 |
0 |
0 |
0.000 |
33 |
|
D |
23 |
5 |
6703 |
◊ |
I |
x,y-1,z |
1_545 |
8 |
3 |
6677 |
114.0 |
-0.6 |
0.547 |
1 |
0 |
0 |
0.000 |
| Average: |
126.6 |
-0.8 |
0.524 |
2 |
0 |
0 |
0.001 |
| 16 |
34 |
|
[MES]D:201 |
11 |
1 |
325 |
f |
D |
x,y,z |
1_555 |
21 |
9 |
6703 |
136.8 |
3.9 |
0.176 |
0 |
0 |
0 |
0.000 |
| 17 |
35 |
|
[PEG]F:203 |
7 |
1 |
256 |
◊ |
F |
x,y,z |
1_555 |
18 |
7 |
6744 |
126.7 |
2.9 |
0.370 |
2 |
0 |
0 |
0.000 |
| 18 |
36 |
|
[PEG]H:207 |
6 |
1 |
260 |
f |
H |
x,y,z |
1_555 |
14 |
5 |
7106 |
114.6 |
0.8 |
0.173 |
2 |
0 |
0 |
0.000 |
| 19 |
37 |
|
[PEG]E:207 |
7 |
1 |
263 |
◊ |
E |
x,y,z |
1_555 |
16 |
7 |
6727 |
104.6 |
2.9 |
0.341 |
0 |
0 |
0 |
0.000 |
| 20 |
38 |
|
[PEG]H:209 |
7 |
1 |
262 |
◊ |
G |
x,y,z |
1_555 |
14 |
5 |
6598 |
103.2 |
2.8 |
0.316 |
0 |
0 |
0 |
0.000 |
| 21 |
39 |
|
[PEG]A:204 |
6 |
1 |
256 |
◊ |
H |
x,y,z |
1_555 |
17 |
6 |
7106 |
101.9 |
2.2 |
0.334 |
0 |
0 |
0 |
0.000 |
| 22 |
40 |
|
[GAL]D:203 |
9 |
1 |
293 |
◊ |
I |
x,y-1,z |
1_545 |
9 |
4 |
6677 |
97.8 |
0.8 |
0.229 |
1 |
0 |
0 |
0.000 |
41 |
|
A |
12 |
4 |
6872 |
◊ |
[GAL]J:203 |
x,y-1,z |
1_545 |
9 |
1 |
292 |
96.0 |
0.3 |
0.122 |
4 |
0 |
0 |
0.000 |
| Average: |
96.9 |
0.5 |
0.175 |
3 |
0 |
0 |
0.000 |
| 23 |
42 |
|
F |
9 |
3 |
6744 |
◊ |
D |
x,y,z |
1_555 |
13 |
5 |
6703 |
97.1 |
0.3 |
0.672 |
3 |
0 |
0 |
0.000 |
| 24 |
43 |
|
[PEG]G:204 |
6 |
1 |
260 |
◊ |
G |
x,y,z |
1_555 |
10 |
4 |
6598 |
96.4 |
0.8 |
0.170 |
1 |
0 |
0 |
0.000 |
| 25 |
44 |
|
[PEG]F:204 |
7 |
1 |
260 |
◊ |
F |
x,y,z |
1_555 |
15 |
5 |
6744 |
94.2 |
0.7 |
0.140 |
0 |
0 |
0 |
0.000 |
| 26 |
45 |
|
[PEG]F:202 |
6 |
1 |
257 |
◊ |
F |
x,y,z |
1_555 |
9 |
5 |
6744 |
92.3 |
1.8 |
0.256 |
0 |
0 |
0 |
0.000 |
| 27 |
46 |
|
[PEG]H:208 |
7 |
1 |
258 |
◊ |
H |
x,y,z |
1_555 |
14 |
4 |
7106 |
92.0 |
3.0 |
0.345 |
0 |
0 |
0 |
0.000 |
| 28 |
47 |
|
A |
11 |
4 |
6872 |
◊ |
[GLC]J:204 |
x,y-1,z |
1_545 |
8 |
1 |
299 |
86.0 |
-0.0 |
0.232 |
1 |
0 |
0 |
0.000 |
| 29 |
48 |
|
[GAL]A:202 |
8 |
1 |
303 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
6872 |
86.0 |
2.3 |
0.485 |
1 |
0 |
0 |
0.000 |
49 |
|
[GAL]I:202 |
7 |
1 |
304 |
f |
I |
x,y,z |
1_555 |
14 |
4 |
6677 |
79.9 |
2.2 |
0.535 |
0 |
0 |
0 |
0.000 |
| Average: |
83.0 |
2.3 |
0.510 |
1 |
0 |
0 |
0.000 |
| 30 |
50 |
|
[GAL]E:202 |
8 |
1 |
306 |
f |
E |
x,y,z |
1_555 |
14 |
4 |
6727 |
86.0 |
2.5 |
0.534 |
0 |
0 |
0 |
0.000 |
| 31 |
51 |
|
[PEG]H:209 |
5 |
1 |
262 |
f |
H |
x,y,z |
1_555 |
11 |
3 |
7106 |
80.6 |
0.6 |
0.218 |
2 |
0 |
0 |
0.001 |
| 32 |
52 |
|
[GLC]I:205 |
6 |
1 |
303 |
cf |
[GAL]I:204 |
x,y,z |
1_555 |
6 |
1 |
291 |
69.5 |
1.3 |
0.102 |
2 |
0 |
0 |
0.000 |
53 |
|
[GLC]J:204 |
5 |
1 |
299 |
cf |
[GAL]J:203 |
x,y,z |
1_555 |
6 |
1 |
292 |
65.3 |
1.1 |
0.152 |
2 |
0 |
0 |
0.000 |
| Average: |
67.4 |
1.2 |
0.127 |
2 |
0 |
0 |
0.000 |
| 33 |
54 |
|
[CL]F:205 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
11 |
7 |
6744 |
69.1 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.256 |
55 |
|
[CL]G:205 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
15 |
7 |
6598 |
68.8 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.256 |
56 |
|
[CL]D:205 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
10 |
7 |
6703 |
68.7 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.256 |
57 |
|
[CL]I:208 |
1 |
1 |
125 |
f |
I |
x,y,z |
1_555 |
12 |
7 |
6677 |
68.3 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.256 |
58 |
|
[CL]B:203 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
6776 |
68.3 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.256 |
59 |
|
[CL]H:210 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
13 |
7 |
7106 |
68.3 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.256 |
60 |
|
[CL]C:205 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
13 |
7 |
6653 |
68.0 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.256 |
61 |
|
[CL]A:207 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
6872 |
68.0 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.256 |
62 |
|
[CL]J:208 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
10 |
7 |
7225 |
67.1 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.256 |
63 |
|
[CL]E:208 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
13 |
7 |
6727 |
66.8 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.256 |
| Average: |
68.1 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.256 |
| 34 |
64 |
|
[PEG]J:206 |
6 |
1 |
262 |
f |
J |
x,y,z |
1_555 |
9 |
3 |
7225 |
68.5 |
1.6 |
0.260 |
0 |
0 |
0 |
0.000 |
| 35 |
65 |
|
[GLC]D:204 |
5 |
1 |
301 |
cf |
[GAL]D:203 |
x,y,z |
1_555 |
7 |
1 |
293 |
68.4 |
1.3 |
0.148 |
2 |
0 |
0 |
0.000 |
| 36 |
66 |
|
[GAL]I:204 |
7 |
1 |
291 |
cf |
[SIA]I:203 |
x,y,z |
1_555 |
10 |
1 |
434 |
68.4 |
2.3 |
0.311 |
0 |
0 |
0 |
0.000 |
67 |
|
[GAL]D:203 |
6 |
1 |
293 |
cf |
[SIA]D:202 |
x,y,z |
1_555 |
8 |
1 |
438 |
68.2 |
2.1 |
0.400 |
0 |
0 |
0 |
0.000 |
68 |
|
[GAL]C:203 |
6 |
1 |
291 |
cf |
[SIA]C:202 |
x,y,z |
1_555 |
8 |
1 |
436 |
65.3 |
2.1 |
0.366 |
0 |
0 |
0 |
0.000 |
69 |
|
[GAL]J:203 |
7 |
1 |
292 |
cf |
[SIA]J:202 |
x,y,z |
1_555 |
9 |
1 |
436 |
65.0 |
2.3 |
0.319 |
0 |
0 |
0 |
0.000 |
| Average: |
66.7 |
2.2 |
0.349 |
0 |
0 |
0 |
0.000 |
| 37 |
70 |
|
[GLC]H:204 |
6 |
1 |
302 |
cf |
[GAL]H:203 |
x,y,z |
1_555 |
6 |
1 |
292 |
67.6 |
1.3 |
0.102 |
2 |
0 |
0 |
0.000 |
| 38 |
71 |
|
[GAL]H:203 |
6 |
1 |
292 |
cf |
[SIA]H:202 |
x,y,z |
1_555 |
8 |
1 |
433 |
67.6 |
2.4 |
0.366 |
1 |
0 |
0 |
0.000 |
72 |
|
[GAL]E:204 |
7 |
1 |
294 |
cf |
[SIA]E:203 |
x,y,z |
1_555 |
9 |
1 |
434 |
67.3 |
2.3 |
0.333 |
0 |
0 |
0 |
0.000 |
| Average: |
67.4 |
2.3 |
0.350 |
1 |
0 |
0 |
0.000 |
| 39 |
73 |
|
[GLC]C:204 |
6 |
1 |
302 |
cf |
[GAL]C:203 |
x,y,z |
1_555 |
7 |
1 |
291 |
67.6 |
1.2 |
0.125 |
0 |
0 |
0 |
0.000 |
| 40 |
74 |
|
[PEG]H:208 |
6 |
1 |
258 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
6653 |
66.9 |
1.6 |
0.256 |
0 |
0 |
0 |
0.000 |
| 41 |
75 |
|
[GAL]E:202 |
8 |
1 |
306 |
cf |
[SIA]E:201 |
x,y,z |
1_555 |
9 |
1 |
430 |
66.6 |
2.4 |
0.325 |
0 |
0 |
0 |
0.000 |
| 42 |
76 |
|
[PEG]F:202 |
7 |
1 |
257 |
f |
H |
x,y,z |
1_555 |
10 |
2 |
7106 |
66.4 |
0.3 |
0.117 |
0 |
0 |
0 |
0.000 |
| 43 |
77 |
|
[CL]A:206 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
6872 |
66.0 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.049 |
| 44 |
78 |
|
[GAL]I:202 |
8 |
1 |
304 |
cf |
[SIA]I:201 |
x,y,z |
1_555 |
9 |
1 |
430 |
64.5 |
2.2 |
0.320 |
0 |
0 |
0 |
0.000 |
79 |
|
[GAL]A:202 |
6 |
1 |
303 |
cf |
[SIA]A:201 |
x,y,z |
1_555 |
8 |
1 |
425 |
62.7 |
2.0 |
0.339 |
0 |
0 |
0 |
0.000 |
| Average: |
63.6 |
2.1 |
0.329 |
0 |
0 |
0 |
0.000 |
| 45 |
80 |
|
[CL]F:206 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
12 |
5 |
6744 |
63.9 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.038 |
| 46 |
81 |
|
[GLC]E:205 |
6 |
1 |
302 |
cf |
[GAL]E:204 |
x,y,z |
1_555 |
6 |
1 |
294 |
63.3 |
1.1 |
0.123 |
1 |
0 |
0 |
0.000 |
| 47 |
82 |
|
[CL]B:204 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
6776 |
63.1 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.051 |
| 48 |
83 |
|
[CL]I:207 |
1 |
1 |
125 |
f |
I |
x,y,z |
1_555 |
9 |
6 |
6677 |
61.5 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.031 |
| 49 |
84 |
|
[CL]F:207 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
10 |
4 |
6744 |
60.7 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.031 |
| 50 |
85 |
|
[GLC]D:204 |
6 |
1 |
301 |
◊ |
I |
x,y-1,z |
1_545 |
7 |
2 |
6677 |
60.4 |
-0.1 |
0.228 |
0 |
0 |
0 |
0.000 |
| 51 |
86 |
|
[CL]A:205 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
6872 |
57.9 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.041 |
87 |
|
[CL]I:210 |
1 |
1 |
125 |
f |
I |
x,y,z |
1_555 |
10 |
4 |
6677 |
55.8 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.041 |
| Average: |
56.8 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.041 |
| 52 |
88 |
|
[CL]G:206 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
5 |
3 |
6598 |
51.4 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.027 |
| 53 |
89 |
|
[PEG]A:204 |
5 |
1 |
256 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
6872 |
51.4 |
1.6 |
0.325 |
0 |
0 |
0 |
0.000 |
| 54 |
90 |
|
[CL]I:209 |
1 |
1 |
125 |
f |
I |
x,y,z |
1_555 |
7 |
3 |
6677 |
51.0 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.026 |
| 55 |
91 |
|
[SIA]D:202 |
5 |
1 |
438 |
◊ |
I |
x,y-1,z |
1_545 |
9 |
3 |
6677 |
50.4 |
0.6 |
0.596 |
0 |
0 |
0 |
0.000 |
92 |
|
A |
5 |
3 |
6872 |
◊ |
[SIA]J:202 |
x,y-1,z |
1_545 |
7 |
1 |
436 |
42.5 |
1.2 |
0.710 |
0 |
0 |
0 |
0.000 |
| Average: |
46.5 |
0.9 |
0.653 |
0 |
0 |
0 |
0.000 |
| 56 |
93 |
|
[CL]A:208 |
1 |
1 |
125 |
f |
J |
x,y-1,z |
1_545 |
13 |
7 |
7225 |
48.2 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.023 |
| 57 |
94 |
|
[PEG]H:208 |
4 |
1 |
258 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
6872 |
45.7 |
0.0 |
0.199 |
1 |
0 |
0 |
0.002 |
| 58 |
95 |
|
[PEG]F:202 |
5 |
1 |
257 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
6703 |
44.5 |
1.6 |
0.309 |
0 |
0 |
0 |
0.000 |
| 59 |
96 |
|
[CA]G:202 |
1 |
1 |
85 |
f |
G |
x,y,z |
1_555 |
9 |
5 |
6598 |
43.5 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.146 |
97 |
|
[CA]I:206 |
1 |
1 |
85 |
f |
I |
x,y,z |
1_555 |
9 |
5 |
6677 |
42.8 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.146 |
98 |
|
[CA]F:201 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
9 |
5 |
6744 |
42.8 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.146 |
99 |
|
[CA]J:205 |
1 |
1 |
85 |
f |
J |
x,y,z |
1_555 |
9 |
5 |
7225 |
42.7 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.146 |
100 |
|
[CA]H:206 |
1 |
1 |
85 |
f |
H |
x,y,z |
1_555 |
9 |
5 |
7106 |
41.7 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.146 |
101 |
|
[CA]E:206 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
9 |
5 |
6727 |
40.0 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.146 |
102 |
|
[CA]H:205 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
6872 |
33.7 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.146 |
| Average: |
41.0 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.146 |
| 60 |
103 |
|
[MES]H:201 |
4 |
1 |
336 |
f |
[PEG]A:204 |
x,y,z |
1_555 |
4 |
1 |
256 |
42.6 |
1.8 |
0.051 |
0 |
0 |
0 |
0.000 |
| 61 |
104 |
|
F |
5 |
2 |
6744 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
6776 |
41.4 |
-0.1 |
0.564 |
1 |
0 |
0 |
0.000 |
| 62 |
105 |
|
[PEG]G:204 |
4 |
1 |
260 |
◊ |
J |
x,y,z |
1_555 |
4 |
3 |
7225 |
41.3 |
0.3 |
0.157 |
0 |
0 |
0 |
0.000 |
| 63 |
106 |
|
[CL]H:211 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
5 |
4 |
7106 |
40.3 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.033 |
107 |
|
[CL]J:207 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
6 |
4 |
7225 |
35.6 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.033 |
108 |
|
[CL]B:205 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
6776 |
31.5 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.033 |
| Average: |
35.8 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.033 |
| 64 |
109 |
|
[GAL]H:203 |
4 |
1 |
292 |
f |
H |
x,y,z |
1_555 |
5 |
3 |
7106 |
39.4 |
0.5 |
0.262 |
2 |
0 |
0 |
0.002 |
| 65 |
110 |
|
[GAL]D:203 |
4 |
1 |
293 |
f |
D |
x,y,z |
1_555 |
4 |
2 |
6703 |
37.5 |
0.5 |
0.344 |
2 |
0 |
0 |
0.007 |
111 |
|
[GAL]I:204 |
4 |
1 |
291 |
f |
I |
x,y,z |
1_555 |
3 |
1 |
6677 |
36.6 |
0.5 |
0.244 |
2 |
0 |
0 |
0.007 |
112 |
|
[GAL]J:203 |
4 |
1 |
292 |
f |
J |
x,y,z |
1_555 |
4 |
2 |
7225 |
35.7 |
0.4 |
0.242 |
2 |
0 |
0 |
0.007 |
113 |
|
[GAL]C:203 |
4 |
1 |
291 |
f |
C |
x,y,z |
1_555 |
3 |
1 |
6653 |
35.3 |
0.4 |
0.247 |
2 |
0 |
0 |
0.007 |
| Average: |
36.3 |
0.4 |
0.269 |
2 |
0 |
0 |
0.007 |
| 66 |
114 |
|
[PEG]F:203 |
3 |
1 |
256 |
f |
I |
x,y,z |
1_555 |
7 |
3 |
6677 |
35.8 |
1.1 |
0.429 |
1 |
0 |
0 |
0.000 |
| 67 |
115 |
|
[GAL]E:204 |
4 |
1 |
294 |
f |
E |
x,y,z |
1_555 |
4 |
2 |
6727 |
34.7 |
0.4 |
0.299 |
2 |
0 |
0 |
0.003 |
| 68 |
116 |
|
[TRS]D:206 |
3 |
1 |
254 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
6703 |
34.6 |
0.8 |
0.776 |
0 |
0 |
0 |
0.000 |
| 69 |
117 |
|
[PEG]G:203 |
3 |
1 |
261 |
f |
[CL]G:206 |
x,y,z |
1_555 |
1 |
1 |
125 |
34.1 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.014 |
| 70 |
118 |
|
[CL]B:205 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
4 |
2 |
6744 |
32.0 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 71 |
119 |
|
[PEG]H:207 |
4 |
1 |
260 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
6598 |
31.5 |
0.5 |
0.152 |
0 |
0 |
0 |
0.000 |
| 72 |
120 |
|
H |
4 |
2 |
7106 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
6703 |
31.4 |
0.4 |
0.724 |
1 |
0 |
0 |
0.000 |
| 73 |
121 |
|
[PEG]E:207 |
4 |
1 |
263 |
f |
F |
x,y,z |
1_555 |
8 |
4 |
6744 |
30.0 |
0.5 |
0.236 |
0 |
0 |
0 |
0.000 |
| 74 |
122 |
|
[CL]A:208 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
6872 |
29.6 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 75 |
123 |
|
[GLC]H:204 |
3 |
1 |
302 |
f |
H |
x,y,z |
1_555 |
3 |
2 |
7106 |
28.5 |
0.1 |
0.285 |
0 |
0 |
0 |
0.000 |
| 76 |
124 |
|
[CA]H:205 |
1 |
1 |
85 |
◊ |
H |
x,y,z |
1_555 |
4 |
2 |
7106 |
28.4 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 77 |
125 |
|
[GLC]I:205 |
4 |
1 |
303 |
f |
I |
x,y,z |
1_555 |
2 |
2 |
6677 |
28.4 |
0.0 |
0.175 |
0 |
0 |
0 |
0.000 |
126 |
|
[GLC]J:204 |
4 |
1 |
299 |
f |
J |
x,y,z |
1_555 |
2 |
2 |
7225 |
25.5 |
0.0 |
0.187 |
0 |
0 |
0 |
0.000 |
| Average: |
27.0 |
0.0 |
0.181 |
0 |
0 |
0 |
0.000 |
| 78 |
127 |
|
[PEG]H:207 |
4 |
1 |
260 |
◊ |
[PEG]F:204 |
x,y,z |
1_555 |
2 |
1 |
260 |
28.3 |
1.1 |
0.123 |
0 |
0 |
0 |
0.000 |
| 79 |
128 |
|
[TRS]H:212 |
3 |
1 |
254 |
◊ |
G |
x,y,z |
1_555 |
7 |
3 |
6598 |
27.4 |
0.2 |
0.727 |
0 |
0 |
0 |
0.000 |
| 80 |
129 |
|
[PEG]F:204 |
3 |
1 |
260 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
7106 |
26.9 |
-0.2 |
0.121 |
0 |
0 |
0 |
0.000 |
| 81 |
130 |
|
[CL]I:210 |
1 |
1 |
125 |
f |
[PEG]F:204 |
x,y,z |
1_555 |
4 |
1 |
260 |
25.1 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.008 |
| 82 |
131 |
|
[GLC]D:204 |
3 |
1 |
301 |
f |
D |
x,y,z |
1_555 |
3 |
2 |
6703 |
24.5 |
0.0 |
0.268 |
0 |
0 |
0 |
0.000 |
| 83 |
132 |
|
[CL]B:204 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
3 |
3 |
6653 |
24.0 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.010 |
| 84 |
133 |
|
[CL]A:208 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
6703 |
22.4 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 85 |
134 |
|
[GLC]E:205 |
2 |
1 |
302 |
f |
E |
x,y,z |
1_555 |
2 |
2 |
6727 |
22.4 |
-0.1 |
0.266 |
0 |
0 |
0 |
0.000 |
| 86 |
135 |
|
[GLC]C:204 |
3 |
1 |
302 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
6653 |
21.4 |
-0.1 |
0.172 |
0 |
0 |
0 |
0.001 |
| 87 |
136 |
|
[GLC]J:204 |
2 |
1 |
299 |
f |
[SIA]J:202 |
x,y,z |
1_555 |
6 |
1 |
436 |
20.7 |
0.7 |
0.395 |
0 |
0 |
0 |
0.000 |
137 |
|
[GLC]I:205 |
2 |
1 |
303 |
f |
[SIA]I:203 |
x,y,z |
1_555 |
5 |
1 |
434 |
18.1 |
0.7 |
0.396 |
0 |
0 |
0 |
0.000 |
| Average: |
19.4 |
0.7 |
0.395 |
0 |
0 |
0 |
0.000 |
| 88 |
138 |
|
[CL]A:205 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
6653 |
20.6 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.012 |
139 |
|
[CL]I:210 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
6744 |
20.5 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.012 |
| Average: |
20.6 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.012 |
| 89 |
140 |
|
[PEG]F:204 |
2 |
1 |
260 |
f |
I |
x,y,z |
1_555 |
1 |
1 |
6677 |
19.7 |
0.1 |
0.167 |
0 |
0 |
0 |
0.000 |
| 90 |
141 |
|
[GLC]E:205 |
3 |
1 |
302 |
f |
[SIA]E:203 |
x,y,z |
1_555 |
4 |
1 |
434 |
19.6 |
0.9 |
0.413 |
0 |
0 |
0 |
0.000 |
| 91 |
142 |
|
[TRS]D:206 |
2 |
1 |
254 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
6727 |
18.5 |
0.2 |
0.762 |
0 |
0 |
0 |
0.000 |
| 92 |
143 |
|
[CL]I:207 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
5 |
3 |
6744 |
17.4 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.007 |
| 93 |
144 |
|
[CA]H:206 |
1 |
1 |
85 |
◊ |
F |
x,y,z |
1_555 |
3 |
3 |
6744 |
17.1 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.039 |
145 |
|
[CA]F:201 |
1 |
1 |
85 |
◊ |
I |
x,y,z |
1_555 |
2 |
2 |
6677 |
16.0 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.039 |
146 |
|
[CA]E:206 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
3 |
3 |
6776 |
15.2 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.039 |
147 |
|
[CA]H:205 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
3 |
3 |
6703 |
14.5 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.039 |
148 |
|
[CA]I:206 |
1 |
1 |
85 |
◊ |
J |
x,y,z |
1_555 |
2 |
2 |
7225 |
14.5 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.039 |
149 |
|
[CA]J:205 |
1 |
1 |
85 |
◊ |
G |
x,y,z |
1_555 |
3 |
3 |
6598 |
13.1 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.039 |
150 |
|
[CA]G:202 |
1 |
1 |
85 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
7106 |
11.2 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.039 |
| Average: |
14.5 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.039 |
| 94 |
151 |
|
[TRS]H:212 |
1 |
1 |
254 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
7106 |
16.7 |
0.1 |
0.709 |
0 |
0 |
0 |
0.000 |
| 95 |
152 |
|
F |
1 |
1 |
6744 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
6653 |
15.3 |
0.2 |
0.565 |
0 |
0 |
0 |
0.000 |
| 96 |
153 |
|
[PEG]H:207 |
2 |
1 |
260 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
6744 |
15.0 |
0.3 |
0.332 |
0 |
0 |
0 |
0.000 |
| 97 |
154 |
|
[CA]I:206 |
1 |
1 |
85 |
f |
[CL]I:209 |
x,y,z |
1_555 |
1 |
1 |
125 |
14.1 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.014 |
| 98 |
155 |
|
[CL]A:208 |
1 |
1 |
125 |
f |
[SIA]J:202 |
x,y-1,z |
1_545 |
1 |
1 |
436 |
14.0 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.007 |
| 99 |
156 |
|
[PEG]G:204 |
2 |
1 |
260 |
f |
H |
x,y,z |
1_555 |
4 |
1 |
7106 |
11.8 |
0.2 |
0.344 |
0 |
0 |
0 |
0.000 |
| 100 |
157 |
|
[TRS]H:212 |
4 |
1 |
254 |
◊ |
J |
x,y,z |
1_555 |
3 |
2 |
7225 |
11.0 |
0.3 |
0.794 |
0 |
0 |
0 |
0.000 |
| 101 |
158 |
|
[GLC]D:204 |
2 |
1 |
301 |
f |
[SIA]D:202 |
x,y,z |
1_555 |
5 |
1 |
438 |
10.9 |
0.4 |
0.379 |
0 |
0 |
0 |
0.000 |
| 102 |
159 |
|
[CL]A:206 |
1 |
1 |
125 |
◊ |
[GAL]J:203 |
x,y-1,z |
1_545 |
2 |
1 |
292 |
9.7 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 103 |
160 |
|
[GLC]C:204 |
3 |
1 |
302 |
f |
[SIA]C:202 |
x,y,z |
1_555 |
6 |
1 |
436 |
9.6 |
0.3 |
0.365 |
0 |
0 |
0 |
0.000 |
| 104 |
161 |
|
[GLC]H:204 |
2 |
1 |
302 |
f |
[SIA]H:202 |
x,y,z |
1_555 |
5 |
1 |
433 |
8.3 |
0.2 |
0.368 |
0 |
0 |
0 |
0.000 |
| 105 |
162 |
|
[TRS]D:206 |
2 |
1 |
254 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
6872 |
8.1 |
0.0 |
0.721 |
0 |
0 |
0 |
0.000 |
| 106 |
163 |
|
[PEG]H:207 |
2 |
1 |
260 |
f |
[PEG]G:204 |
x,y,z |
1_555 |
2 |
1 |
260 |
6.3 |
0.4 |
0.171 |
0 |
0 |
0 |
0.000 |
| 107 |
164 |
|
[PEG]H:208 |
2 |
1 |
258 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
6744 |
6.3 |
0.1 |
0.297 |
0 |
0 |
0 |
0.000 |
| 108 |
165 |
|
[TRS]H:212 |
1 |
1 |
254 |
f |
I |
x,y,z |
1_555 |
2 |
1 |
6677 |
4.6 |
0.0 |
0.740 |
0 |
0 |
0 |
0.000 |
| 109 |
166 |
|
[MES]H:201 |
1 |
1 |
336 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
6872 |
4.3 |
0.1 |
0.298 |
0 |
0 |
0 |
0.000 |
| 110 |
167 |
|
[TRS]D:206 |
1 |
1 |
254 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
6776 |
3.6 |
-0.0 |
0.610 |
0 |
0 |
0 |
0.000 |
| 111 |
168 |
|
[PEG]E:207 |
1 |
1 |
263 |
f |
[CL]F:206 |
x,y,z |
1_555 |
1 |
1 |
125 |
1.3 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 112 |
169 |
|
[CL]F:206 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
6727 |
0.2 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|