| ## |
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 |
|
D |
337 |
95 |
23415 |
◊ |
C |
x,y,z |
1_555 |
314 |
90 |
23522 |
3197.8 |
-36.2 |
0.048 |
22 |
11 |
0 |
0.452 |
| 2 |
2 |
|
K |
293 |
80 |
23216 |
◊ |
L |
x,y,z |
1_555 |
318 |
91 |
22413 |
3039.7 |
-41.1 |
0.005 |
20 |
10 |
0 |
0.543 |
| 3 |
3 |
|
J |
315 |
92 |
22757 |
◊ |
I |
x,y,z |
1_555 |
277 |
83 |
22956 |
2937.0 |
-37.4 |
0.009 |
14 |
8 |
0 |
0.524 |
| 4 |
4 |
|
E |
272 |
76 |
22831 |
◊ |
F |
x,y,z |
1_555 |
308 |
87 |
22592 |
2878.2 |
-36.2 |
0.010 |
11 |
10 |
0 |
0.406 |
| 5 |
5 |
|
C |
305 |
85 |
23522 |
◊ |
B |
x,y,z |
1_555 |
273 |
82 |
24127 |
2726.8 |
-18.7 |
0.251 |
18 |
12 |
0 |
0.517 |
6 |
|
I |
264 |
79 |
22956 |
◊ |
H |
x,y,z |
1_555 |
230 |
71 |
23365 |
2310.9 |
-20.9 |
0.114 |
18 |
13 |
0 |
0.517 |
| Average: |
2518.9 |
-19.8 |
0.183 |
18 |
13 |
0 |
0.517 |
| 6 |
7 |
|
J |
247 |
76 |
22757 |
◊ |
K |
x,y,z |
1_555 |
287 |
84 |
23216 |
2537.5 |
-21.6 |
0.101 |
14 |
12 |
0 |
0.507 |
| 7 |
8 |
|
E |
283 |
82 |
22831 |
◊ |
D |
x,y,z |
1_555 |
245 |
75 |
23415 |
2436.9 |
-17.2 |
0.264 |
15 |
9 |
0 |
0.105 |
| 8 |
9 |
|
H |
242 |
68 |
23365 |
◊ |
G |
x,y,z |
1_555 |
233 |
61 |
22714 |
2430.7 |
-39.6 |
0.001 |
8 |
3 |
0 |
0.687 |
10 |
|
B |
265 |
75 |
24127 |
◊ |
A |
x,y,z |
1_555 |
220 |
50 |
22065 |
2396.3 |
-41.1 |
0.001 |
8 |
6 |
0 |
0.687 |
| Average: |
2413.5 |
-40.4 |
0.001 |
8 |
5 |
0 |
0.687 |
| 9 |
11 |
|
L |
197 |
56 |
22413 |
◊ |
G |
x,y,z |
1_555 |
231 |
70 |
22714 |
2011.9 |
-15.5 |
0.201 |
13 |
10 |
0 |
0.313 |
12 |
|
F |
203 |
61 |
22592 |
◊ |
A |
x,y,z |
1_555 |
231 |
64 |
22065 |
1978.0 |
-12.1 |
0.315 |
15 |
8 |
0 |
0.313 |
| Average: |
1994.9 |
-13.8 |
0.258 |
14 |
9 |
0 |
0.313 |
| 10 |
13 |
|
I |
50 |
18 |
22956 |
◊ |
E |
-x+1,-y+1,z-1/2 |
2_664 |
49 |
21 |
22831 |
552.7 |
-7.4 |
0.091 |
3 |
2 |
0 |
0.000 |
| 11 |
14 |
|
K |
43 |
17 |
23216 |
◊ |
C |
-x+2,-y,z-1/2 |
2_754 |
49 |
16 |
23522 |
508.3 |
-8.1 |
0.056 |
2 |
1 |
0 |
0.000 |
| 12 |
15 |
|
A |
55 |
15 |
22065 |
◊ |
A |
-x+2,y,-z+1/2 |
3_755 |
56 |
15 |
22065 |
478.5 |
-6.5 |
0.212 |
2 |
0 |
0 |
0.000 |
| 13 |
16 |
|
I |
45 |
16 |
22956 |
◊ |
C |
-x+1,-y,z-1/2 |
2_654 |
47 |
16 |
23522 |
460.3 |
-6.0 |
0.172 |
4 |
2 |
0 |
0.000 |
| 14 |
17 |
|
B |
41 |
14 |
24127 |
◊ |
B |
-x+1,y,-z+1/2 |
3_655 |
40 |
14 |
24127 |
438.2 |
-2.7 |
0.457 |
2 |
0 |
0 |
0.000 |
| 15 |
18 |
|
W |
43 |
7 |
3228 |
◊ |
L |
x,y,z |
1_555 |
43 |
17 |
22413 |
363.2 |
-5.5 |
0.827 |
6 |
0 |
0 |
0.000 |
| 16 |
19 |
|
C |
44 |
11 |
23522 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
36 |
10 |
22065 |
328.9 |
0.3 |
0.721 |
2 |
1 |
0 |
0.000 |
| 17 |
20 |
|
[GDP]G:501 |
28 |
1 |
594 |
f |
G |
x,y,z |
1_555 |
42 |
17 |
22714 |
315.3 |
-5.1 |
0.644 |
13 |
0 |
0 |
0.171 |
21 |
|
[GDP]A:502 |
28 |
1 |
578 |
f |
A |
x,y,z |
1_555 |
49 |
21 |
22065 |
303.2 |
-4.6 |
0.665 |
13 |
0 |
0 |
0.171 |
| Average: |
309.3 |
-4.9 |
0.655 |
13 |
0 |
0 |
0.171 |
| 18 |
22 |
|
[GDP]F:501 |
28 |
1 |
588 |
f |
F |
x,y,z |
1_555 |
52 |
21 |
22592 |
315.2 |
-5.2 |
0.672 |
13 |
0 |
0 |
0.104 |
| 19 |
23 |
|
[GDP]J:501 |
28 |
1 |
593 |
f |
J |
x,y,z |
1_555 |
41 |
17 |
22757 |
314.0 |
-4.9 |
0.666 |
11 |
0 |
0 |
0.167 |
| 20 |
24 |
|
F |
23 |
10 |
22592 |
◊ |
G |
x,y,z |
1_555 |
30 |
10 |
22714 |
313.0 |
-8.2 |
0.014 |
1 |
0 |
0 |
0.000 |
25 |
|
L |
27 |
11 |
22413 |
◊ |
A |
x,y,z |
1_555 |
24 |
10 |
22065 |
307.9 |
-8.2 |
0.011 |
1 |
0 |
0 |
0.000 |
| Average: |
310.5 |
-8.2 |
0.012 |
1 |
0 |
0 |
0.000 |
| 21 |
26 |
|
[GDP]E:501 |
27 |
1 |
583 |
f |
E |
x,y,z |
1_555 |
50 |
20 |
22831 |
311.1 |
-5.4 |
0.612 |
14 |
0 |
0 |
0.111 |
| 22 |
27 |
|
[GDP]K:501 |
27 |
1 |
587 |
f |
K |
x,y,z |
1_555 |
39 |
16 |
23216 |
310.7 |
-5.1 |
0.624 |
10 |
0 |
0 |
0.163 |
| 23 |
28 |
|
[GDP]C:501 |
27 |
1 |
580 |
f |
C |
x,y,z |
1_555 |
52 |
22 |
23522 |
310.5 |
-4.8 |
0.671 |
15 |
0 |
0 |
0.201 |
29 |
|
[GDP]I:501 |
27 |
1 |
583 |
f |
I |
x,y,z |
1_555 |
46 |
19 |
22956 |
309.1 |
-5.1 |
0.622 |
13 |
0 |
0 |
0.201 |
| Average: |
309.8 |
-5.0 |
0.646 |
14 |
0 |
0 |
0.201 |
| 24 |
30 |
|
[GDP]D:501 |
28 |
1 |
583 |
f |
D |
x,y,z |
1_555 |
48 |
20 |
23415 |
307.9 |
-4.3 |
0.710 |
15 |
0 |
0 |
0.104 |
| 25 |
31 |
|
[GDP]L:501 |
28 |
1 |
590 |
f |
L |
x,y,z |
1_555 |
41 |
17 |
22413 |
307.9 |
-5.0 |
0.631 |
13 |
0 |
0 |
0.148 |
| 26 |
32 |
|
W |
35 |
6 |
3228 |
◊ |
K |
x,y,z |
1_555 |
38 |
13 |
23216 |
295.4 |
-5.4 |
0.768 |
4 |
0 |
0 |
0.000 |
| 27 |
33 |
|
V |
37 |
6 |
3391 |
◊ |
F |
x,y,z |
1_555 |
39 |
12 |
22592 |
295.2 |
-5.8 |
0.754 |
6 |
0 |
0 |
0.026 |
| 28 |
34 |
|
V |
34 |
5 |
3391 |
◊ |
B |
x,y,z |
1_555 |
36 |
11 |
24127 |
290.3 |
-2.9 |
0.789 |
3 |
0 |
0 |
0.060 |
| 29 |
35 |
|
V |
34 |
6 |
3391 |
◊ |
E |
x,y,z |
1_555 |
36 |
11 |
22831 |
286.8 |
-5.8 |
0.711 |
5 |
0 |
0 |
0.025 |
| 30 |
36 |
|
V |
34 |
6 |
3391 |
◊ |
C |
x,y,z |
1_555 |
36 |
12 |
23522 |
281.7 |
-6.7 |
0.677 |
6 |
0 |
0 |
0.132 |
| 31 |
37 |
|
V |
35 |
5 |
3391 |
◊ |
A |
x,y,z |
1_555 |
37 |
10 |
22065 |
280.7 |
-3.4 |
0.824 |
5 |
0 |
0 |
0.018 |
| 32 |
38 |
|
V |
32 |
6 |
3391 |
◊ |
D |
x,y,z |
1_555 |
38 |
12 |
23415 |
279.3 |
-6.0 |
0.698 |
5 |
0 |
0 |
0.019 |
| 33 |
39 |
|
H |
36 |
11 |
23365 |
◊ |
D |
-x+1,-y+1,z-1/2 |
2_664 |
26 |
7 |
23415 |
278.5 |
-2.9 |
0.351 |
1 |
0 |
0 |
0.000 |
| 34 |
40 |
|
W |
33 |
6 |
3228 |
◊ |
I |
x,y,z |
1_555 |
32 |
11 |
22956 |
275.4 |
-5.3 |
0.753 |
6 |
0 |
0 |
0.000 |
| 35 |
41 |
|
J |
30 |
7 |
22757 |
◊ |
B |
-x+2,-y,z-1/2 |
2_754 |
29 |
8 |
24127 |
274.8 |
-3.3 |
0.296 |
1 |
0 |
0 |
0.000 |
| 36 |
42 |
|
W |
32 |
5 |
3228 |
◊ |
J |
x,y,z |
1_555 |
34 |
11 |
22757 |
259.1 |
-4.9 |
0.755 |
4 |
0 |
0 |
0.000 |
| 37 |
43 |
|
W |
27 |
5 |
3228 |
◊ |
H |
x,y,z |
1_555 |
33 |
12 |
23365 |
230.8 |
-6.1 |
0.610 |
3 |
0 |
0 |
0.000 |
| 38 |
44 |
|
[MES]C:505 |
11 |
1 |
331 |
f |
C |
x,y,z |
1_555 |
32 |
14 |
23522 |
221.2 |
5.8 |
0.358 |
0 |
0 |
0 |
0.000 |
| 39 |
45 |
|
B |
26 |
9 |
24127 |
◊ |
A |
-x+2,y,-z+1/2 |
3_755 |
25 |
8 |
22065 |
218.2 |
0.0 |
0.395 |
2 |
0 |
0 |
0.000 |
| 40 |
46 |
|
B |
17 |
6 |
24127 |
◊ |
B |
-x+2,y,-z+1/2 |
3_755 |
17 |
6 |
24127 |
202.8 |
-3.8 |
0.123 |
2 |
0 |
0 |
0.000 |
| 41 |
47 |
|
W |
23 |
4 |
3228 |
◊ |
G |
x,y,z |
1_555 |
29 |
11 |
22714 |
202.2 |
-5.3 |
0.620 |
3 |
0 |
0 |
0.000 |
| 42 |
48 |
|
D |
14 |
7 |
23415 |
◊ |
H |
-x+1,y,-z+1/2 |
3_655 |
22 |
9 |
23365 |
179.1 |
-4.2 |
0.076 |
0 |
0 |
0 |
0.000 |
| 43 |
49 |
|
[GDP]K:501 |
19 |
1 |
587 |
◊ |
J |
x,y,z |
1_555 |
27 |
7 |
22757 |
151.5 |
-1.7 |
0.570 |
0 |
0 |
0 |
0.029 |
| 44 |
50 |
|
E |
23 |
6 |
22831 |
◊ |
H |
-x+1,y,-z+1/2 |
3_655 |
14 |
5 |
23365 |
145.2 |
-0.9 |
0.438 |
1 |
0 |
0 |
0.000 |
| 45 |
51 |
|
[GDP]J:501 |
20 |
1 |
593 |
◊ |
I |
x,y,z |
1_555 |
25 |
7 |
22956 |
143.0 |
-2.7 |
0.561 |
0 |
0 |
0 |
0.032 |
52 |
|
[GDP]D:501 |
21 |
1 |
583 |
◊ |
C |
x,y,z |
1_555 |
24 |
7 |
23522 |
136.8 |
-1.8 |
0.626 |
0 |
0 |
0 |
0.032 |
| Average: |
139.9 |
-2.3 |
0.594 |
0 |
0 |
0 |
0.032 |
| 46 |
53 |
|
J |
16 |
4 |
22757 |
◊ |
H |
x,y,z |
1_555 |
17 |
6 |
23365 |
142.5 |
-0.1 |
0.620 |
1 |
0 |
0 |
0.002 |
| 47 |
54 |
|
[GDP]L:501 |
17 |
1 |
590 |
◊ |
K |
x,y,z |
1_555 |
24 |
7 |
23216 |
142.1 |
-1.9 |
0.538 |
0 |
0 |
0 |
0.020 |
| 48 |
55 |
|
[GDP]G:501 |
21 |
1 |
594 |
◊ |
L |
x,y,z |
1_555 |
24 |
7 |
22413 |
139.6 |
-1.7 |
0.574 |
0 |
0 |
0 |
0.023 |
| 49 |
56 |
|
[GDP]I:501 |
21 |
1 |
583 |
◊ |
H |
x,y,z |
1_555 |
26 |
7 |
23365 |
139.2 |
-1.2 |
0.595 |
0 |
0 |
0 |
0.025 |
57 |
|
[GDP]C:501 |
20 |
1 |
580 |
◊ |
B |
x,y,z |
1_555 |
24 |
7 |
24127 |
138.2 |
-1.4 |
0.663 |
0 |
0 |
0 |
0.025 |
58 |
|
[GDP]A:502 |
19 |
1 |
578 |
◊ |
F |
x,y,z |
1_555 |
24 |
7 |
22592 |
127.9 |
-1.0 |
0.644 |
0 |
0 |
0 |
0.025 |
| Average: |
135.1 |
-1.2 |
0.634 |
0 |
0 |
0 |
0.025 |
| 50 |
59 |
|
[GDP]E:501 |
21 |
1 |
583 |
◊ |
D |
x,y,z |
1_555 |
25 |
7 |
23415 |
137.3 |
-0.8 |
0.635 |
0 |
0 |
0 |
0.003 |
| 51 |
60 |
|
[GDP]F:501 |
20 |
1 |
588 |
◊ |
E |
x,y,z |
1_555 |
24 |
7 |
22831 |
133.8 |
-1.4 |
0.617 |
0 |
0 |
0 |
0.013 |
| 52 |
61 |
|
J |
17 |
6 |
22757 |
◊ |
L |
x,y,z |
1_555 |
16 |
4 |
22413 |
129.6 |
-0.3 |
0.589 |
1 |
0 |
0 |
0.003 |
| 53 |
62 |
|
C |
14 |
6 |
23522 |
◊ |
B |
-x+1,y,-z+1/2 |
3_655 |
10 |
2 |
24127 |
124.7 |
1.2 |
0.805 |
0 |
1 |
0 |
0.000 |
| 54 |
63 |
|
[MES]W:101 |
10 |
1 |
328 |
f |
W |
x,y,z |
1_555 |
20 |
3 |
3228 |
124.3 |
1.1 |
0.067 |
0 |
0 |
0 |
0.000 |
| 55 |
64 |
|
[MES]E:504 |
9 |
1 |
327 |
◊ |
E |
x,y,z |
1_555 |
19 |
6 |
22831 |
117.6 |
0.7 |
0.147 |
0 |
0 |
0 |
0.000 |
| 56 |
65 |
|
G |
12 |
3 |
22714 |
◊ |
G |
x,-y+1,-z |
4_565 |
12 |
3 |
22714 |
111.2 |
-0.5 |
0.528 |
0 |
0 |
0 |
0.000 |
| 57 |
66 |
|
[MES]I:504 |
8 |
1 |
330 |
◊ |
J |
x,y,z |
1_555 |
16 |
5 |
22757 |
106.4 |
1.2 |
0.047 |
0 |
0 |
0 |
0.000 |
| 58 |
67 |
|
[ALF]G:502 |
5 |
1 |
209 |
f |
G |
x,y,z |
1_555 |
24 |
9 |
22714 |
104.0 |
2.0 |
0.453 |
3 |
0 |
0 |
0.000 |
| 59 |
68 |
|
J |
11 |
3 |
22757 |
◊ |
J |
-x+1,y,-z-1/2 |
3_654 |
11 |
3 |
22757 |
100.3 |
-1.5 |
0.318 |
0 |
0 |
0 |
0.000 |
| 60 |
69 |
|
[ALF]J:502 |
5 |
1 |
209 |
f |
J |
x,y,z |
1_555 |
22 |
10 |
22757 |
95.9 |
2.1 |
0.451 |
6 |
0 |
0 |
0.010 |
| 61 |
70 |
|
K |
10 |
5 |
23216 |
◊ |
K |
-x+2,y,-z-1/2 |
3_754 |
10 |
5 |
23216 |
95.8 |
-0.6 |
0.498 |
2 |
0 |
0 |
0.000 |
| 62 |
71 |
|
[ALF]K:502 |
5 |
1 |
209 |
f |
K |
x,y,z |
1_555 |
20 |
10 |
23216 |
94.4 |
2.1 |
0.453 |
6 |
0 |
0 |
0.009 |
| 63 |
72 |
|
D |
11 |
3 |
23415 |
◊ |
G |
-x+1,y,-z+1/2 |
3_655 |
13 |
4 |
22714 |
91.5 |
-0.3 |
0.558 |
0 |
0 |
0 |
0.000 |
| 64 |
73 |
|
[ALF]I:503 |
5 |
1 |
208 |
f |
I |
x,y,z |
1_555 |
22 |
10 |
22956 |
89.9 |
1.5 |
0.452 |
5 |
0 |
0 |
0.012 |
| 65 |
74 |
|
[ALF]C:504 |
5 |
1 |
207 |
f |
D |
x,y,z |
1_555 |
24 |
10 |
23415 |
89.8 |
1.4 |
0.444 |
4 |
0 |
0 |
0.003 |
| 66 |
75 |
|
[ALF]E:503 |
5 |
1 |
206 |
f |
F |
x,y,z |
1_555 |
21 |
9 |
22592 |
89.5 |
1.7 |
0.443 |
8 |
0 |
0 |
0.018 |
| 67 |
76 |
|
[MES]W:101 |
7 |
1 |
328 |
◊ |
I |
x,y,z |
1_555 |
10 |
3 |
22956 |
89.1 |
2.2 |
0.106 |
0 |
0 |
0 |
0.000 |
| 68 |
77 |
|
[ALF]D:503 |
5 |
1 |
207 |
f |
E |
x,y,z |
1_555 |
20 |
9 |
22831 |
88.8 |
1.4 |
0.427 |
5 |
0 |
0 |
0.007 |
| 69 |
78 |
|
L |
16 |
6 |
22413 |
◊ |
B |
-x+2,y,-z+1/2 |
3_755 |
11 |
4 |
24127 |
88.7 |
0.5 |
0.708 |
0 |
0 |
0 |
0.000 |
| 70 |
79 |
|
[ALF]A:504 |
5 |
1 |
208 |
f |
A |
x,y,z |
1_555 |
22 |
9 |
22065 |
88.3 |
1.9 |
0.441 |
9 |
0 |
0 |
0.021 |
| 71 |
80 |
|
D |
11 |
4 |
23415 |
◊ |
F |
x,y,z |
1_555 |
12 |
4 |
22592 |
87.1 |
0.2 |
0.674 |
0 |
0 |
0 |
0.000 |
| 72 |
81 |
|
[ALF]C:503 |
5 |
1 |
205 |
f |
C |
x,y,z |
1_555 |
22 |
9 |
23522 |
86.1 |
1.5 |
0.437 |
4 |
0 |
0 |
0.004 |
| 73 |
82 |
|
[ALF]L:502 |
5 |
1 |
207 |
f |
L |
x,y,z |
1_555 |
17 |
8 |
22413 |
85.2 |
1.5 |
0.442 |
6 |
0 |
0 |
0.016 |
| 74 |
83 |
|
[MES]W:101 |
8 |
1 |
328 |
◊ |
H |
x,y,z |
1_555 |
12 |
6 |
23365 |
83.3 |
2.5 |
0.132 |
0 |
0 |
0 |
0.000 |
| 75 |
84 |
|
[MES]I:504 |
9 |
1 |
330 |
f |
I |
x,y,z |
1_555 |
10 |
3 |
22956 |
83.2 |
1.2 |
0.014 |
0 |
0 |
0 |
0.000 |
| 76 |
85 |
|
D |
11 |
3 |
23415 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
24127 |
82.8 |
0.4 |
0.714 |
0 |
0 |
0 |
0.000 |
| 77 |
86 |
|
H |
10 |
4 |
23365 |
◊ |
H |
x,-y+1,-z |
4_565 |
10 |
4 |
23365 |
74.8 |
-1.5 |
0.303 |
0 |
0 |
0 |
0.000 |
| 78 |
87 |
|
[MES]E:504 |
10 |
1 |
327 |
f |
F |
x,y,z |
1_555 |
7 |
3 |
22592 |
72.7 |
0.5 |
0.085 |
0 |
0 |
0 |
0.000 |
| 79 |
88 |
|
[ALF]E:503 |
5 |
1 |
206 |
◊ |
E |
x,y,z |
1_555 |
9 |
3 |
22831 |
56.4 |
1.1 |
0.208 |
3 |
0 |
0 |
0.002 |
| 80 |
89 |
|
[ALF]C:503 |
5 |
1 |
205 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
24127 |
55.3 |
1.1 |
0.451 |
2 |
0 |
0 |
0.000 |
| 81 |
90 |
|
[ALF]L:502 |
4 |
1 |
207 |
◊ |
K |
x,y,z |
1_555 |
11 |
3 |
23216 |
54.9 |
0.9 |
0.341 |
4 |
0 |
0 |
0.009 |
| 82 |
91 |
|
[ALF]A:504 |
5 |
1 |
208 |
◊ |
F |
x,y,z |
1_555 |
9 |
3 |
22592 |
54.0 |
1.1 |
0.448 |
1 |
0 |
0 |
0.000 |
| 83 |
92 |
|
[ALF]I:503 |
4 |
1 |
208 |
◊ |
H |
x,y,z |
1_555 |
10 |
3 |
23365 |
51.9 |
1.0 |
0.334 |
5 |
0 |
0 |
0.021 |
| 84 |
93 |
|
[ALF]C:504 |
4 |
1 |
207 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
23522 |
51.4 |
1.1 |
0.370 |
2 |
0 |
0 |
0.000 |
| 85 |
94 |
|
[ALF]D:503 |
4 |
1 |
207 |
◊ |
D |
x,y,z |
1_555 |
10 |
3 |
23415 |
51.4 |
1.1 |
0.375 |
5 |
0 |
0 |
0.005 |
| 86 |
95 |
|
[ALF]G:502 |
5 |
1 |
209 |
◊ |
L |
x,y,z |
1_555 |
10 |
3 |
22413 |
49.9 |
0.9 |
0.419 |
3 |
0 |
0 |
0.006 |
| 87 |
96 |
|
[ALF]K:502 |
4 |
1 |
209 |
◊ |
J |
x,y,z |
1_555 |
10 |
3 |
22757 |
48.2 |
0.9 |
0.347 |
5 |
0 |
0 |
0.022 |
| 88 |
97 |
|
[ALF]J:502 |
4 |
1 |
209 |
◊ |
I |
x,y,z |
1_555 |
10 |
3 |
22956 |
48.2 |
0.9 |
0.340 |
2 |
0 |
0 |
0.000 |
| 89 |
98 |
|
[ALF]G:502 |
5 |
1 |
209 |
f |
[GDP]G:501 |
x,y,z |
1_555 |
5 |
1 |
594 |
47.4 |
-2.6 |
0.108 |
0 |
0 |
0 |
0.040 |
| 90 |
99 |
|
[ALF]J:502 |
5 |
1 |
209 |
f |
[GDP]J:501 |
x,y,z |
1_555 |
5 |
1 |
593 |
47.4 |
-2.5 |
0.110 |
1 |
0 |
0 |
0.050 |
| 91 |
100 |
|
[ALF]K:502 |
5 |
1 |
209 |
f |
[GDP]K:501 |
x,y,z |
1_555 |
4 |
1 |
587 |
47.1 |
-2.5 |
0.088 |
0 |
0 |
0 |
0.043 |
| 92 |
101 |
|
[CA]A:507 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
22065 |
45.9 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.111 |
102 |
|
[CA]G:503 |
1 |
1 |
85 |
f |
G |
x,y,z |
1_555 |
12 |
6 |
22714 |
45.4 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.111 |
| Average: |
45.7 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.111 |
| 93 |
103 |
|
H |
5 |
3 |
23365 |
◊ |
H |
x,-y,-z |
4_555 |
5 |
3 |
23365 |
44.6 |
-0.3 |
0.486 |
1 |
0 |
0 |
0.000 |
| 94 |
104 |
|
[ALF]C:504 |
5 |
1 |
207 |
f |
[GDP]D:501 |
x,y,z |
1_555 |
5 |
1 |
583 |
44.2 |
-2.3 |
0.114 |
2 |
0 |
0 |
0.030 |
| 95 |
105 |
|
[CA]D:504 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
4 |
3 |
23415 |
43.9 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.067 |
| 96 |
106 |
|
H |
9 |
4 |
23365 |
◊ |
G |
x,-y+1,-z |
4_565 |
5 |
3 |
22714 |
43.7 |
-0.1 |
0.448 |
0 |
0 |
0 |
0.000 |
| 97 |
107 |
|
[ALF]D:503 |
5 |
1 |
207 |
f |
[GDP]E:501 |
x,y,z |
1_555 |
5 |
1 |
583 |
43.3 |
-2.3 |
0.108 |
0 |
0 |
0 |
0.022 |
| 98 |
108 |
|
[ALF]I:503 |
5 |
1 |
208 |
f |
[GDP]I:501 |
x,y,z |
1_555 |
5 |
1 |
583 |
42.8 |
-2.3 |
0.109 |
1 |
0 |
0 |
0.046 |
| 99 |
109 |
|
[ALF]E:503 |
5 |
1 |
206 |
f |
[GDP]F:501 |
x,y,z |
1_555 |
6 |
1 |
588 |
42.4 |
-2.2 |
0.129 |
0 |
0 |
0 |
0.021 |
| 100 |
110 |
|
[ALF]C:503 |
5 |
1 |
205 |
f |
[GDP]C:501 |
x,y,z |
1_555 |
4 |
1 |
580 |
41.4 |
-2.3 |
0.099 |
1 |
0 |
0 |
0.048 |
| 101 |
111 |
|
[ALF]L:502 |
5 |
1 |
207 |
f |
[GDP]L:501 |
x,y,z |
1_555 |
6 |
1 |
590 |
41.2 |
-2.2 |
0.127 |
1 |
0 |
0 |
0.036 |
| 102 |
112 |
|
[ALF]A:504 |
5 |
1 |
208 |
f |
[GDP]A:502 |
x,y,z |
1_555 |
4 |
1 |
578 |
40.9 |
-2.2 |
0.098 |
0 |
0 |
0 |
0.023 |
| 103 |
113 |
|
[CA]A:501 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
22065 |
39.6 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.071 |
| 104 |
114 |
|
[CA]L:503 |
1 |
1 |
85 |
f |
L |
x,y,z |
1_555 |
9 |
7 |
22413 |
34.2 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.097 |
115 |
|
[CA]F:502 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
8 |
5 |
22592 |
30.3 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.097 |
| Average: |
32.3 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.097 |
| 105 |
116 |
|
[CA]B:501 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
24127 |
34.0 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.100 |
| 106 |
117 |
|
[CA]C:502 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
23522 |
32.8 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.113 |
118 |
|
[CA]I:502 |
1 |
1 |
85 |
f |
I |
x,y,z |
1_555 |
11 |
5 |
22956 |
29.5 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.113 |
| Average: |
31.2 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.113 |
| 107 |
119 |
|
K |
4 |
1 |
23216 |
◊ |
C |
-x+2,y,-z+1/2 |
3_755 |
5 |
1 |
23522 |
31.7 |
-0.2 |
0.483 |
0 |
0 |
0 |
0.000 |
| 108 |
120 |
|
[CA]A:506 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
9 |
6 |
22592 |
31.2 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.060 |
| 109 |
121 |
|
[CA]A:503 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
22065 |
30.9 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.061 |
| 110 |
122 |
|
H |
4 |
2 |
23365 |
◊ |
F |
x,-y+1,-z |
4_565 |
5 |
2 |
22592 |
30.6 |
0.1 |
0.588 |
0 |
0 |
0 |
0.000 |
| 111 |
123 |
|
I |
3 |
2 |
22956 |
◊ |
H |
x,-y,-z |
4_555 |
3 |
1 |
23365 |
29.8 |
0.3 |
0.715 |
1 |
0 |
0 |
0.000 |
| 112 |
124 |
|
[CA]E:502 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
10 |
6 |
22831 |
28.3 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.053 |
| 113 |
125 |
|
[CA]D:502 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
9 |
6 |
23415 |
28.2 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.053 |
| 114 |
126 |
|
E |
2 |
1 |
22831 |
◊ |
I |
-x+1,y,-z+1/2 |
3_655 |
2 |
1 |
22956 |
27.4 |
0.7 |
0.416 |
0 |
0 |
0 |
0.000 |
| 115 |
127 |
|
[CA]D:504 |
1 |
1 |
85 |
◊ |
G |
-x+1,y,-z+1/2 |
3_655 |
5 |
2 |
22714 |
26.1 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 116 |
128 |
|
[CA]A:505 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
22065 |
21.1 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.034 |
| 117 |
129 |
|
[GDP]C:501 |
4 |
1 |
580 |
f |
[CA]C:502 |
x,y,z |
1_555 |
1 |
1 |
85 |
20.9 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.073 |
130 |
|
[GDP]A:502 |
4 |
1 |
578 |
f |
[CA]A:503 |
x,y,z |
1_555 |
1 |
1 |
85 |
20.4 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.073 |
131 |
|
[GDP]I:501 |
5 |
1 |
583 |
f |
[CA]I:502 |
x,y,z |
1_555 |
1 |
1 |
85 |
20.2 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.073 |
132 |
|
[GDP]F:501 |
4 |
1 |
588 |
f |
[CA]F:502 |
x,y,z |
1_555 |
1 |
1 |
85 |
20.1 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.073 |
133 |
|
[GDP]E:501 |
4 |
1 |
583 |
f |
[CA]E:502 |
x,y,z |
1_555 |
1 |
1 |
85 |
19.7 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.073 |
134 |
|
[GDP]D:501 |
4 |
1 |
583 |
f |
[CA]D:502 |
x,y,z |
1_555 |
1 |
1 |
85 |
18.8 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.073 |
135 |
|
[GDP]L:501 |
3 |
1 |
590 |
f |
[CA]L:503 |
x,y,z |
1_555 |
1 |
1 |
85 |
18.8 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.073 |
| Average: |
19.8 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.073 |
| 118 |
136 |
|
[ALF]D:503 |
3 |
1 |
207 |
f |
[CA]E:502 |
x,y,z |
1_555 |
1 |
1 |
85 |
20.1 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.038 |
137 |
|
[ALF]L:502 |
2 |
1 |
207 |
f |
[CA]L:503 |
x,y,z |
1_555 |
1 |
1 |
85 |
17.8 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.038 |
| Average: |
18.9 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.038 |
| 119 |
138 |
|
[CA]A:506 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
22065 |
20.0 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.019 |
| 120 |
139 |
|
[ALF]I:503 |
2 |
1 |
208 |
f |
[CA]I:502 |
x,y,z |
1_555 |
1 |
1 |
85 |
19.9 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.054 |
140 |
|
[ALF]E:503 |
3 |
1 |
206 |
f |
[CA]F:502 |
x,y,z |
1_555 |
1 |
1 |
85 |
18.0 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.054 |
| Average: |
18.9 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.054 |
| 121 |
141 |
|
[ALF]C:504 |
3 |
1 |
207 |
f |
[CA]D:502 |
x,y,z |
1_555 |
1 |
1 |
85 |
19.7 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.031 |
| 122 |
142 |
|
[GDP]A:502 |
4 |
1 |
578 |
◊ |
[CA]A:506 |
x,y,z |
1_555 |
1 |
1 |
85 |
19.3 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.022 |
| 123 |
143 |
|
[ALF]C:503 |
1 |
1 |
205 |
f |
[CA]C:502 |
x,y,z |
1_555 |
1 |
1 |
85 |
17.1 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.041 |
144 |
|
[ALF]A:504 |
3 |
1 |
208 |
f |
[CA]A:503 |
x,y,z |
1_555 |
1 |
1 |
85 |
17.0 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.041 |
| Average: |
17.0 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.041 |
| 124 |
145 |
|
C |
5 |
2 |
23522 |
◊ |
G |
-x+1,y,-z+1/2 |
3_655 |
2 |
2 |
22714 |
17.0 |
0.0 |
0.609 |
0 |
0 |
0 |
0.000 |
| 125 |
146 |
|
[CA]A:505 |
1 |
1 |
85 |
◊ |
V |
x,y,z |
1_555 |
6 |
2 |
3391 |
14.8 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.009 |
| 126 |
147 |
|
I |
1 |
1 |
22956 |
◊ |
G |
x,-y,-z |
4_555 |
1 |
1 |
22714 |
10.1 |
0.2 |
0.818 |
0 |
0 |
0 |
0.000 |
| 127 |
148 |
|
V |
2 |
1 |
3391 |
◊ |
L |
-x+2,y,-z+1/2 |
3_755 |
1 |
1 |
22413 |
9.8 |
-0.1 |
0.351 |
0 |
0 |
0 |
0.000 |
| 128 |
149 |
|
[CA]D:502 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
23522 |
8.1 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.007 |
| 129 |
150 |
|
[CA]A:503 |
1 |
1 |
85 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
22592 |
6.5 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.009 |
151 |
|
[CA]C:502 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
24127 |
5.1 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.009 |
152 |
|
[CA]I:502 |
1 |
1 |
85 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
23365 |
3.6 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.009 |
| Average: |
5.1 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.009 |
| 130 |
153 |
|
[CA]E:502 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
23415 |
6.2 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.002 |
| 131 |
154 |
|
[CA]F:502 |
1 |
1 |
85 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
22831 |
5.6 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.005 |
| 132 |
155 |
|
[CA]A:501 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
24127 |
4.9 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.007 |
| 133 |
156 |
|
[CA]A:507 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
24127 |
2.8 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.005 |
| 134 |
157 |
|
I |
1 |
1 |
22956 |
◊ |
D |
-x+1,-y,z-1/2 |
2_654 |
1 |
1 |
23415 |
1.3 |
-0.0 |
0.496 |
0 |
0 |
0 |
0.000 |
|