| ## |
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 |
|
Y |
138 |
12 |
3405 |
◊ |
A |
x,y,z |
1_555 |
168 |
52 |
27299 |
1266.8 |
-13.0 |
0.325 |
19 |
0 |
0 |
1.000 |
| 2 |
2 |
|
R |
131 |
11 |
3268 |
◊ |
B |
x,y,z |
1_555 |
157 |
46 |
28194 |
1228.8 |
-7.9 |
0.428 |
19 |
0 |
0 |
0.560 |
| 3 |
3 |
|
K |
84 |
10 |
3384 |
◊ |
B |
x,y,z |
1_555 |
85 |
27 |
28194 |
773.9 |
-10.5 |
0.381 |
10 |
0 |
0 |
0.513 |
| 4 |
4 |
|
B |
80 |
21 |
28194 |
◊ |
A |
x,y,z |
1_555 |
73 |
21 |
27299 |
693.0 |
-5.3 |
0.279 |
6 |
2 |
0 |
0.000 |
| 5 |
5 |
|
A |
70 |
19 |
27299 |
◊ |
B |
x-1,y,z |
1_455 |
73 |
20 |
28194 |
669.8 |
-0.4 |
0.641 |
10 |
5 |
0 |
0.000 |
| 6 |
6 |
|
Q |
59 |
6 |
2172 |
◊ |
B |
x,y,z |
1_555 |
65 |
22 |
28194 |
517.0 |
-5.5 |
0.539 |
5 |
0 |
0 |
0.266 |
| 7 |
7 |
|
B |
56 |
17 |
28194 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
57 |
19 |
27299 |
509.5 |
5.0 |
0.905 |
12 |
4 |
0 |
0.000 |
| 8 |
8 |
|
X |
59 |
6 |
2169 |
◊ |
A |
x,y,z |
1_555 |
72 |
25 |
27299 |
495.3 |
-4.8 |
0.591 |
6 |
0 |
0 |
0.297 |
| 9 |
9 |
|
Y |
43 |
10 |
3405 |
◊ |
X |
x,y,z |
1_555 |
43 |
9 |
2169 |
421.7 |
-4.9 |
0.551 |
22 |
0 |
0 |
1.000 |
| 10 |
10 |
|
R |
45 |
10 |
3268 |
◊ |
Q |
x,y,z |
1_555 |
42 |
9 |
2172 |
413.8 |
-4.6 |
0.569 |
22 |
0 |
0 |
0.493 |
| 11 |
11 |
|
K |
43 |
10 |
3384 |
◊ |
J |
x,y,z |
1_555 |
40 |
9 |
2168 |
409.3 |
-6.1 |
0.488 |
24 |
0 |
0 |
1.000 |
| 12 |
12 |
|
B |
33 |
11 |
28194 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
38 |
15 |
27299 |
342.7 |
-1.5 |
0.460 |
2 |
1 |
0 |
0.000 |
| 13 |
13 |
|
[DGT]A:1588 |
29 |
1 |
581 |
f |
A |
x,y,z |
1_555 |
48 |
17 |
27299 |
290.1 |
-0.5 |
0.481 |
9 |
0 |
0 |
0.272 |
14 |
|
[DGT]B:1589 |
29 |
1 |
582 |
f |
B |
x,y,z |
1_555 |
47 |
17 |
28194 |
289.3 |
-0.9 |
0.473 |
9 |
0 |
0 |
0.272 |
| Average: |
289.7 |
-0.7 |
0.477 |
9 |
0 |
0 |
0.272 |
| 14 |
15 |
|
B |
23 |
8 |
28194 |
x |
B |
x-1,y,z |
1_455 |
28 |
9 |
28194 |
205.7 |
-0.0 |
0.625 |
0 |
0 |
0 |
0.000 |
| 15 |
16 |
|
K |
19 |
2 |
3384 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
24 |
9 |
27299 |
188.1 |
1.4 |
0.484 |
2 |
0 |
0 |
0.000 |
| 16 |
17 |
|
Y |
22 |
3 |
3405 |
◊ |
B |
x,y,z |
1_555 |
22 |
6 |
28194 |
177.2 |
-1.5 |
0.434 |
0 |
0 |
0 |
0.000 |
| 17 |
18 |
|
X |
19 |
2 |
2169 |
◊ |
B |
x,y,z |
1_555 |
27 |
5 |
28194 |
175.7 |
1.3 |
0.510 |
1 |
0 |
0 |
0.000 |
| 18 |
19 |
|
[DOC]J:10 |
14 |
1 |
433 |
◊ |
K |
x,y,z |
1_555 |
26 |
5 |
3384 |
160.9 |
3.5 |
0.596 |
3 |
0 |
0 |
0.000 |
| 19 |
20 |
|
Q |
20 |
2 |
2172 |
◊ |
K |
-x+1,y-1/2,-z |
2_645 |
15 |
2 |
3384 |
143.2 |
2.6 |
0.787 |
0 |
0 |
0 |
0.000 |
| 20 |
21 |
|
R |
15 |
2 |
3268 |
◊ |
J |
-x+1,y-1/2,-z |
2_645 |
20 |
2 |
2168 |
141.3 |
2.4 |
0.772 |
0 |
0 |
0 |
0.000 |
| 21 |
22 |
|
[EDO]B:2778 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
27 |
11 |
28194 |
133.2 |
6.4 |
0.835 |
5 |
0 |
0 |
0.000 |
| 22 |
23 |
|
[DOC]X:10 |
11 |
1 |
438 |
◊ |
A |
x,y,z |
1_555 |
26 |
10 |
27299 |
131.7 |
-0.4 |
0.376 |
1 |
0 |
0 |
0.034 |
24 |
|
[DOC]Q:10 |
11 |
1 |
432 |
◊ |
B |
x,y,z |
1_555 |
25 |
10 |
28194 |
124.7 |
-0.3 |
0.360 |
1 |
0 |
0 |
0.034 |
| Average: |
128.2 |
-0.3 |
0.368 |
1 |
0 |
0 |
0.034 |
| 23 |
25 |
|
[DOC]J:10 |
13 |
1 |
433 |
cf |
J |
x,y,z |
1_555 |
14 |
1 |
2168 |
120.2 |
3.1 |
0.559 |
1 |
0 |
0 |
0.000 |
| 24 |
26 |
|
[EDO]A:2804 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
19 |
11 |
27299 |
118.1 |
3.7 |
0.476 |
6 |
0 |
0 |
0.000 |
| 25 |
27 |
|
[EDO]A:2780 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
27299 |
114.9 |
2.8 |
0.374 |
0 |
0 |
0 |
0.000 |
| 26 |
28 |
|
[DOC]X:10 |
15 |
1 |
438 |
cf |
X |
x,y,z |
1_555 |
13 |
1 |
2169 |
113.6 |
3.0 |
0.568 |
0 |
0 |
0 |
0.000 |
| 27 |
29 |
|
[EDO]A:2771 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
27299 |
109.9 |
3.5 |
0.446 |
3 |
0 |
0 |
0.000 |
| 28 |
30 |
|
[EDO]B:2775 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
28194 |
109.2 |
4.0 |
0.545 |
2 |
0 |
0 |
0.000 |
| 29 |
31 |
|
[EDO]A:2793 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
27299 |
107.8 |
2.9 |
0.477 |
1 |
0 |
0 |
0.000 |
| 30 |
32 |
|
[EDO]A:2794 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
15 |
10 |
27299 |
106.8 |
3.2 |
0.480 |
2 |
0 |
0 |
0.000 |
| 31 |
33 |
|
[DOC]Q:10 |
16 |
1 |
432 |
cf |
Q |
x,y,z |
1_555 |
13 |
1 |
2172 |
106.2 |
3.0 |
0.545 |
0 |
0 |
0 |
0.000 |
| 32 |
34 |
|
[EDO]B:2763 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
28194 |
101.2 |
3.0 |
0.382 |
1 |
0 |
0 |
0.000 |
| 33 |
35 |
|
J |
13 |
5 |
2168 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
28194 |
101.2 |
0.5 |
0.650 |
1 |
0 |
0 |
0.000 |
| 34 |
36 |
|
[EDO]A:2784 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
17 |
5 |
27299 |
99.6 |
2.3 |
0.349 |
0 |
0 |
0 |
0.000 |
| 35 |
37 |
|
[DGT]A:1588 |
13 |
1 |
581 |
◊ |
Y |
x,y,z |
1_555 |
14 |
2 |
3405 |
96.3 |
2.0 |
0.701 |
3 |
0 |
0 |
0.000 |
| 36 |
38 |
|
[DGT]B:1589 |
12 |
1 |
582 |
◊ |
R |
x,y,z |
1_555 |
13 |
2 |
3268 |
92.6 |
1.8 |
0.696 |
3 |
0 |
0 |
0.000 |
| 37 |
39 |
|
[EDO]B:2764 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
28194 |
92.3 |
2.3 |
0.394 |
0 |
0 |
0 |
0.000 |
| 38 |
40 |
|
[EDO]B:2795 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
28194 |
91.6 |
1.9 |
0.236 |
0 |
0 |
0 |
0.000 |
| 39 |
41 |
|
[EDO]A:2781 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
27299 |
90.5 |
2.1 |
0.383 |
1 |
0 |
0 |
0.000 |
| 40 |
42 |
|
[EDO]B:2787 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
28194 |
90.0 |
2.1 |
0.238 |
1 |
0 |
0 |
0.000 |
| 41 |
43 |
|
B |
9 |
2 |
28194 |
x |
B |
-x+1,y-1/2,-z |
2_645 |
12 |
5 |
28194 |
88.3 |
1.2 |
0.785 |
1 |
2 |
0 |
0.000 |
| 42 |
44 |
|
[EDO]B:2769 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
14 |
6 |
28194 |
87.4 |
1.9 |
0.371 |
1 |
0 |
0 |
0.000 |
| 43 |
45 |
|
[EDO]B:2802 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
12 |
6 |
27299 |
85.9 |
3.0 |
0.450 |
0 |
0 |
0 |
0.000 |
| 44 |
46 |
|
[EDO]A:2801 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
27299 |
85.9 |
3.3 |
0.537 |
3 |
0 |
0 |
0.000 |
| 45 |
47 |
|
[EDO]B:2762 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
17 |
7 |
28194 |
85.7 |
2.4 |
0.286 |
3 |
0 |
0 |
0.000 |
| 46 |
48 |
|
[EDO]B:2777 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
15 |
5 |
28194 |
85.0 |
2.3 |
0.366 |
1 |
0 |
0 |
0.000 |
| 47 |
49 |
|
[DOC]X:10 |
10 |
1 |
438 |
◊ |
[DGT]A:1588 |
x,y,z |
1_555 |
15 |
1 |
581 |
84.1 |
2.5 |
0.527 |
0 |
0 |
0 |
0.000 |
50 |
|
[DOC]Q:10 |
10 |
1 |
432 |
◊ |
[DGT]B:1589 |
x,y,z |
1_555 |
15 |
1 |
582 |
78.7 |
2.4 |
0.538 |
1 |
0 |
0 |
0.000 |
| Average: |
81.4 |
2.5 |
0.532 |
1 |
0 |
0 |
0.000 |
| 48 |
51 |
|
[EDO]B:2791 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
28194 |
80.4 |
1.9 |
0.777 |
4 |
0 |
0 |
0.000 |
| 49 |
52 |
|
[EDO]Y:2772 |
4 |
1 |
185 |
◊ |
Y |
x,y,z |
1_555 |
12 |
3 |
3405 |
80.2 |
2.3 |
0.261 |
1 |
0 |
0 |
0.000 |
| 50 |
53 |
|
[EDO]B:2805 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
28194 |
79.5 |
2.9 |
0.321 |
0 |
0 |
0 |
0.000 |
| 51 |
54 |
|
[EDO]A:2797 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
15 |
7 |
27299 |
79.3 |
2.7 |
0.500 |
3 |
0 |
0 |
0.000 |
| 52 |
55 |
|
[EDO]K:2765 |
4 |
1 |
185 |
◊ |
K |
x,y,z |
1_555 |
12 |
4 |
3384 |
79.3 |
3.4 |
0.912 |
0 |
0 |
0 |
0.000 |
| 53 |
56 |
|
A |
9 |
4 |
27299 |
f |
[EDO]B:2779 |
x-1,y,z |
1_455 |
3 |
1 |
185 |
77.9 |
2.0 |
0.396 |
0 |
0 |
0 |
0.000 |
| 54 |
57 |
|
[EDO]A:2770 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
27299 |
77.3 |
2.3 |
0.391 |
0 |
0 |
0 |
0.000 |
| 55 |
58 |
|
[EDO]A:2786 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
27299 |
76.9 |
1.7 |
0.781 |
1 |
0 |
0 |
0.000 |
| 56 |
59 |
|
[EDO]X:2782 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
15 |
4 |
27299 |
75.1 |
2.2 |
0.272 |
1 |
0 |
0 |
0.000 |
| 57 |
60 |
|
[EDO]Q:2785 |
4 |
1 |
184 |
◊ |
Q |
x,y,z |
1_555 |
11 |
2 |
2172 |
73.4 |
2.6 |
0.295 |
1 |
0 |
0 |
0.000 |
| 58 |
61 |
|
[EDO]B:2779 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
10 |
6 |
28194 |
73.2 |
1.2 |
0.646 |
1 |
0 |
0 |
0.000 |
| 59 |
62 |
|
[EDO]A:2800 |
4 |
1 |
184 |
f |
X |
x,y,z |
1_555 |
8 |
3 |
2169 |
72.9 |
1.4 |
0.246 |
2 |
0 |
0 |
0.000 |
| 60 |
63 |
|
[EDO]X:2798 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
14 |
8 |
27299 |
72.4 |
2.1 |
0.246 |
0 |
0 |
0 |
0.000 |
| 61 |
64 |
|
[EDO]B:2776 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
28194 |
72.2 |
2.3 |
0.871 |
2 |
0 |
0 |
0.000 |
| 62 |
65 |
|
[EDO]K:2767 |
4 |
1 |
185 |
◊ |
K |
x,y,z |
1_555 |
14 |
3 |
3384 |
70.7 |
2.0 |
0.272 |
0 |
0 |
0 |
0.000 |
| 63 |
66 |
|
[EDO]B:2787 |
4 |
1 |
184 |
f |
B |
x-1,y,z |
1_455 |
15 |
6 |
28194 |
69.2 |
1.2 |
0.751 |
0 |
0 |
0 |
0.000 |
| 64 |
67 |
|
[EDO]R:2796 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
28194 |
69.1 |
1.6 |
0.803 |
0 |
0 |
0 |
0.000 |
| 65 |
68 |
|
[EDO]A:2800 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
27299 |
68.9 |
2.3 |
0.904 |
2 |
0 |
0 |
0.000 |
| 66 |
69 |
|
[EDO]X:2782 |
4 |
1 |
185 |
f |
X |
x,y,z |
1_555 |
9 |
2 |
2169 |
68.0 |
1.0 |
0.233 |
0 |
0 |
0 |
0.000 |
| 67 |
70 |
|
[EDO]A:2774 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
11 |
3 |
27299 |
66.0 |
1.6 |
0.251 |
0 |
0 |
0 |
0.000 |
| 68 |
71 |
|
[EDO]X:2798 |
4 |
1 |
183 |
f |
X |
x,y,z |
1_555 |
9 |
2 |
2169 |
64.6 |
0.1 |
0.575 |
2 |
0 |
0 |
0.065 |
| 69 |
72 |
|
[EDO]A:2803 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
28194 |
64.6 |
2.3 |
0.491 |
1 |
0 |
0 |
0.000 |
| 70 |
73 |
|
A |
10 |
4 |
27299 |
f |
[EDO]B:2777 |
x-1,y,z |
1_455 |
4 |
1 |
184 |
63.8 |
1.1 |
0.774 |
3 |
0 |
0 |
0.013 |
| 71 |
74 |
|
[EDO]R:2796 |
4 |
1 |
185 |
f |
R |
x,y,z |
1_555 |
9 |
2 |
3268 |
62.3 |
-0.6 |
0.511 |
2 |
0 |
0 |
0.052 |
| 72 |
75 |
|
[EDO]B:2769 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
8 |
2 |
27299 |
61.3 |
1.2 |
0.600 |
1 |
0 |
0 |
0.000 |
| 73 |
76 |
|
[EDO]B:2789 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
28194 |
60.5 |
1.7 |
0.281 |
0 |
0 |
0 |
0.000 |
| 74 |
77 |
|
[EDO]B:2762 |
4 |
1 |
184 |
f |
A |
-x+1,y-1/2,-z+1 |
2_646 |
9 |
4 |
27299 |
60.4 |
1.4 |
0.257 |
4 |
0 |
0 |
0.022 |
| 75 |
78 |
|
[EDO]K:2766 |
4 |
1 |
183 |
f |
R |
x,y,z |
1_555 |
14 |
1 |
3268 |
59.6 |
1.9 |
0.273 |
0 |
0 |
0 |
0.000 |
| 76 |
79 |
|
[DOC]X:10 |
4 |
1 |
438 |
◊ |
Y |
x,y,z |
1_555 |
8 |
3 |
3405 |
58.9 |
-0.4 |
0.406 |
3 |
0 |
0 |
0.144 |
| 77 |
80 |
|
[EDO]B:2802 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
28194 |
58.1 |
1.6 |
0.888 |
3 |
0 |
0 |
0.000 |
| 78 |
81 |
|
[EDO]K:2766 |
4 |
1 |
183 |
◊ |
K |
x,y,z |
1_555 |
12 |
1 |
3384 |
58.0 |
2.2 |
0.856 |
0 |
0 |
0 |
0.000 |
| 79 |
82 |
|
[EDO]Y:2788 |
4 |
1 |
183 |
f |
Y |
x,y,z |
1_555 |
10 |
2 |
3405 |
57.5 |
0.8 |
0.715 |
2 |
0 |
0 |
0.007 |
| 80 |
83 |
|
[EDO]A:2773 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
28194 |
55.2 |
1.8 |
0.846 |
0 |
0 |
0 |
0.000 |
| 81 |
84 |
|
[EDO]A:2790 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
27299 |
54.9 |
1.0 |
0.760 |
0 |
0 |
0 |
0.000 |
| 82 |
85 |
|
[DOC]Q:10 |
5 |
1 |
432 |
◊ |
R |
x,y,z |
1_555 |
8 |
3 |
3268 |
54.8 |
-0.4 |
0.402 |
3 |
0 |
0 |
0.060 |
| 83 |
86 |
|
[EDO]B:2789 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
27299 |
54.5 |
1.0 |
0.236 |
1 |
0 |
0 |
0.000 |
| 84 |
87 |
|
[EDO]A:2803 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
27299 |
52.9 |
1.8 |
0.297 |
2 |
0 |
0 |
0.000 |
| 85 |
88 |
|
J |
6 |
1 |
2168 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
4 |
1 |
27299 |
52.6 |
-0.4 |
0.565 |
1 |
0 |
0 |
0.000 |
| 86 |
89 |
|
[EDO]A:2797 |
3 |
1 |
183 |
f |
X |
x,y,z |
1_555 |
10 |
2 |
2169 |
48.2 |
-0.3 |
0.212 |
2 |
0 |
0 |
0.102 |
| 87 |
90 |
|
[EDO]K:2767 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
6 |
5 |
28194 |
46.7 |
1.8 |
0.322 |
1 |
0 |
0 |
0.000 |
| 88 |
91 |
|
[EDO]A:2792 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
27299 |
46.7 |
0.7 |
0.652 |
0 |
0 |
0 |
0.000 |
| 89 |
92 |
|
J |
4 |
2 |
2168 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
27299 |
45.4 |
-0.8 |
0.488 |
0 |
0 |
0 |
0.000 |
| 90 |
93 |
|
[EDO]A:2790 |
3 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
28194 |
45.2 |
1.2 |
0.800 |
1 |
0 |
0 |
0.000 |
| 91 |
94 |
|
[EDO]Y:2772 |
3 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
27299 |
43.9 |
0.4 |
0.571 |
0 |
0 |
0 |
0.000 |
| 92 |
95 |
|
[EDO]A:2773 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
4 |
1 |
27299 |
43.7 |
0.7 |
0.802 |
1 |
0 |
0 |
0.000 |
| 93 |
96 |
|
Q |
6 |
1 |
2172 |
◊ |
J |
-x+1,y-1/2,-z |
2_645 |
6 |
1 |
2168 |
43.2 |
0.2 |
0.600 |
0 |
0 |
0 |
0.000 |
| 94 |
97 |
|
A |
5 |
2 |
27299 |
f |
[EDO]B:2805 |
x-1,y,z |
1_455 |
3 |
1 |
185 |
42.5 |
1.3 |
0.814 |
0 |
0 |
0 |
0.000 |
| 95 |
98 |
|
[EDO]A:2790 |
3 |
1 |
184 |
◊ |
B |
x-1,y,z |
1_455 |
7 |
3 |
28194 |
42.0 |
1.0 |
0.789 |
0 |
0 |
0 |
0.000 |
| 96 |
99 |
|
[MN]A:9003 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
27299 |
41.1 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.158 |
100 |
|
[MN]B:9001 |
1 |
1 |
123 |
cf |
B |
x,y,z |
1_555 |
12 |
6 |
28194 |
40.5 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.158 |
| Average: |
40.8 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.158 |
| 97 |
101 |
|
[EDO]A:2774 |
4 |
1 |
184 |
◊ |
X |
x,y,z |
1_555 |
6 |
2 |
2169 |
40.5 |
0.8 |
0.711 |
0 |
0 |
0 |
0.000 |
| 98 |
102 |
|
[EDO]K:2765 |
3 |
1 |
185 |
◊ |
R |
x,y,z |
1_555 |
6 |
1 |
3268 |
39.9 |
1.5 |
0.752 |
0 |
0 |
0 |
0.000 |
| 99 |
103 |
|
[DGT]B:1589 |
6 |
1 |
582 |
f |
[MN]B:9001 |
x,y,z |
1_555 |
1 |
1 |
123 |
38.1 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.187 |
104 |
|
[DGT]A:1588 |
5 |
1 |
581 |
f |
[MN]A:9003 |
x,y,z |
1_555 |
1 |
1 |
123 |
37.9 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.187 |
| Average: |
38.0 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.187 |
| 100 |
105 |
|
[EDO]A:2774 |
3 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
8 |
1 |
28194 |
37.3 |
0.4 |
0.617 |
0 |
0 |
0 |
0.000 |
| 101 |
106 |
|
B |
3 |
2 |
28194 |
f |
[EDO]A:2784 |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
183 |
36.3 |
1.0 |
0.921 |
0 |
0 |
0 |
0.000 |
| 102 |
107 |
|
[EDO]A:2792 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
28194 |
35.8 |
1.6 |
0.961 |
0 |
0 |
0 |
0.000 |
| 103 |
108 |
|
[EDO]A:2773 |
2 |
1 |
184 |
◊ |
X |
x,y,z |
1_555 |
6 |
2 |
2169 |
35.2 |
1.3 |
0.564 |
0 |
0 |
0 |
0.000 |
| 104 |
109 |
|
[EDO]K:2767 |
4 |
1 |
185 |
f |
R |
x,y,z |
1_555 |
4 |
1 |
3268 |
34.6 |
1.6 |
0.888 |
1 |
0 |
0 |
0.000 |
| 105 |
110 |
|
A |
2 |
1 |
27299 |
f |
[EDO]A:2792 |
x-1,y,z |
1_455 |
2 |
1 |
185 |
32.3 |
0.1 |
0.345 |
0 |
0 |
0 |
0.000 |
| 106 |
111 |
|
[EDO]Q:2785 |
3 |
1 |
184 |
f |
R |
x,y,z |
1_555 |
4 |
3 |
3268 |
30.4 |
-0.6 |
0.518 |
1 |
0 |
0 |
0.037 |
| 107 |
112 |
|
[DOC]Q:10 |
3 |
1 |
432 |
◊ |
[EDO]Q:2785 |
x,y,z |
1_555 |
4 |
1 |
184 |
30.1 |
1.2 |
0.597 |
0 |
0 |
0 |
0.000 |
| 108 |
113 |
|
[EDO]B:2789 |
2 |
1 |
182 |
f |
B |
x-1,y,z |
1_455 |
3 |
1 |
28194 |
29.7 |
0.9 |
0.924 |
1 |
0 |
0 |
0.000 |
| 109 |
114 |
|
[EDO]A:2794 |
4 |
1 |
184 |
f |
[EDO]A:2770 |
x,y,z |
1_555 |
4 |
1 |
184 |
29.5 |
1.5 |
1.000 |
0 |
0 |
0 |
0.000 |
| 110 |
115 |
|
[EDO]A:2774 |
2 |
1 |
184 |
◊ |
[EDO]A:2773 |
x,y,z |
1_555 |
3 |
1 |
184 |
29.5 |
1.2 |
1.000 |
1 |
0 |
0 |
0.000 |
| 111 |
116 |
|
[MG]A:9004 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
27299 |
28.3 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.224 |
117 |
|
[MG]B:9002 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
28194 |
28.1 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.224 |
| Average: |
28.2 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.224 |
| 112 |
118 |
|
[EDO]B:2775 |
4 |
1 |
185 |
f |
[DGT]B:1589 |
x,y,z |
1_555 |
3 |
1 |
582 |
27.4 |
1.2 |
0.750 |
0 |
0 |
0 |
0.000 |
| 113 |
119 |
|
[DGT]B:1589 |
5 |
1 |
582 |
f |
[MG]B:9002 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.8 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.185 |
120 |
|
[DGT]A:1588 |
4 |
1 |
581 |
f |
[MG]A:9004 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.6 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.185 |
| Average: |
23.7 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.185 |
| 114 |
121 |
|
[EDO]K:2766 |
3 |
1 |
183 |
◊ |
[EDO]K:2765 |
x,y,z |
1_555 |
3 |
1 |
185 |
23.5 |
1.5 |
1.000 |
0 |
0 |
0 |
0.000 |
| 115 |
122 |
|
[EDO]K:2767 |
3 |
1 |
185 |
f |
[EDO]K:2766 |
x,y,z |
1_555 |
1 |
1 |
183 |
23.3 |
0.9 |
1.000 |
0 |
0 |
0 |
0.000 |
| 116 |
123 |
|
[EDO]A:2803 |
4 |
1 |
182 |
f |
[EDO]A:2790 |
x,y,z |
1_555 |
2 |
1 |
184 |
21.9 |
1.0 |
1.000 |
1 |
0 |
0 |
0.000 |
| 117 |
124 |
|
[DOC]X:10 |
3 |
1 |
438 |
◊ |
[MG]A:9004 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.1 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.050 |
125 |
|
[DOC]Q:10 |
3 |
1 |
432 |
◊ |
[MG]B:9002 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.5 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.050 |
| Average: |
20.8 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.050 |
| 118 |
126 |
|
[EDO]A:2780 |
3 |
1 |
185 |
f |
X |
x,y,z |
1_555 |
5 |
2 |
2169 |
20.4 |
0.1 |
0.710 |
0 |
0 |
0 |
0.000 |
| 119 |
127 |
|
[EDO]X:2798 |
2 |
1 |
183 |
f |
[EDO]A:2797 |
x,y,z |
1_555 |
2 |
1 |
183 |
20.0 |
1.3 |
1.000 |
0 |
0 |
0 |
0.000 |
| 120 |
128 |
|
[EDO]A:2786 |
2 |
1 |
184 |
f |
[DGT]A:1588 |
x,y,z |
1_555 |
2 |
1 |
581 |
15.4 |
0.1 |
0.573 |
0 |
0 |
0 |
0.000 |
| 121 |
129 |
|
[EDO]B:2789 |
2 |
1 |
182 |
◊ |
[EDO]A:2803 |
x,y,z |
1_555 |
2 |
1 |
182 |
14.7 |
1.0 |
1.000 |
0 |
0 |
0 |
0.000 |
| 122 |
130 |
|
[MG]A:9004 |
1 |
1 |
98 |
f |
[MN]A:9003 |
x,y,z |
1_555 |
1 |
1 |
123 |
14.2 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.130 |
| 123 |
131 |
|
[DOC]J:10 |
2 |
1 |
433 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
2 |
1 |
27299 |
14.2 |
0.0 |
0.449 |
0 |
0 |
0 |
0.000 |
| 124 |
132 |
|
[DOC]J:10 |
1 |
1 |
433 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
28194 |
13.7 |
-0.7 |
0.290 |
0 |
0 |
0 |
0.016 |
| 125 |
133 |
|
[MG]B:9002 |
1 |
1 |
98 |
f |
[MN]B:9001 |
x,y,z |
1_555 |
1 |
1 |
123 |
13.6 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.071 |
| 126 |
134 |
|
[EDO]B:2789 |
1 |
1 |
182 |
◊ |
[EDO]A:2790 |
x,y,z |
1_555 |
2 |
1 |
184 |
12.9 |
0.9 |
0.707 |
0 |
0 |
0 |
0.000 |
| 127 |
135 |
|
[EDO]B:2776 |
1 |
1 |
184 |
f |
[EDO]B:2775 |
x,y,z |
1_555 |
1 |
1 |
185 |
12.0 |
0.3 |
1.000 |
0 |
0 |
0 |
0.000 |
| 128 |
136 |
|
R |
4 |
1 |
3268 |
◊ |
K |
-x+1,y-1/2,-z |
2_645 |
4 |
1 |
3384 |
11.2 |
-0.4 |
0.447 |
0 |
0 |
0 |
0.000 |
| 129 |
137 |
|
[EDO]A:2800 |
1 |
1 |
184 |
f |
[EDO]A:2797 |
x,y,z |
1_555 |
1 |
1 |
183 |
9.8 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
| 130 |
138 |
|
K |
5 |
2 |
3384 |
◊ |
R |
x,y,z |
1_555 |
2 |
1 |
3268 |
9.8 |
0.2 |
0.513 |
0 |
0 |
0 |
0.000 |
| 131 |
139 |
|
[EDO]A:2804 |
2 |
1 |
184 |
f |
Y |
x,y,z |
1_555 |
2 |
1 |
3405 |
7.3 |
0.4 |
0.746 |
0 |
0 |
0 |
0.000 |
| 132 |
140 |
|
[EDO]K:2765 |
1 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
28194 |
7.1 |
0.3 |
0.895 |
0 |
0 |
0 |
0.000 |
| 133 |
141 |
|
[EDO]B:2779 |
1 |
1 |
185 |
f |
[EDO]B:2777 |
x,y,z |
1_555 |
1 |
1 |
184 |
3.1 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
| 134 |
142 |
|
[DOC]X:10 |
1 |
1 |
438 |
◊ |
[MN]A:9003 |
x,y,z |
1_555 |
1 |
1 |
123 |
2.7 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
143 |
|
[DOC]Q:10 |
1 |
1 |
432 |
◊ |
[MN]B:9001 |
x,y,z |
1_555 |
1 |
1 |
123 |
1.6 |
0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
2.1 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 135 |
144 |
|
[EDO]A:2800 |
1 |
1 |
184 |
f |
[EDO]A:2780 |
x,y,z |
1_555 |
1 |
1 |
185 |
1.7 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
|