| ## |
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 |
|
H |
499 |
130 |
19872 |
◊ |
G |
x,y,z |
1_555 |
499 |
130 |
19784 |
4676.0 |
-44.2 |
0.048 |
86 |
28 |
0 |
0.653 |
2 |
|
D |
497 |
131 |
19887 |
◊ |
C |
x,y,z |
1_555 |
500 |
129 |
19881 |
4672.6 |
-44.4 |
0.045 |
89 |
28 |
0 |
0.653 |
3 |
|
B |
490 |
130 |
19884 |
◊ |
A |
x,y,z |
1_555 |
485 |
130 |
19878 |
4668.0 |
-43.6 |
0.043 |
88 |
27 |
0 |
0.653 |
4 |
|
F |
495 |
132 |
19846 |
◊ |
E |
x,y,z |
1_555 |
498 |
129 |
19870 |
4655.3 |
-44.2 |
0.043 |
85 |
28 |
0 |
0.653 |
| Average: |
4668.0 |
-44.1 |
0.045 |
87 |
28 |
0 |
0.653 |
| 2 |
5 |
|
K |
159 |
42 |
8689 |
◊ |
E |
x,y,z |
1_555 |
170 |
42 |
19870 |
1526.3 |
-14.7 |
0.238 |
20 |
3 |
0 |
0.636 |
6 |
|
L |
164 |
43 |
8690 |
◊ |
G |
x,y,z |
1_555 |
170 |
43 |
19784 |
1520.3 |
-15.8 |
0.211 |
20 |
3 |
0 |
0.636 |
7 |
|
M |
161 |
44 |
8701 |
◊ |
D |
x,y,z |
1_555 |
170 |
43 |
19887 |
1502.7 |
-15.9 |
0.191 |
20 |
3 |
0 |
0.636 |
8 |
|
N |
163 |
43 |
8676 |
◊ |
F |
x,y,z |
1_555 |
171 |
42 |
19846 |
1498.7 |
-16.3 |
0.183 |
20 |
3 |
0 |
0.636 |
9 |
|
I |
162 |
43 |
8666 |
◊ |
A |
x,y,z |
1_555 |
167 |
43 |
19878 |
1494.6 |
-16.0 |
0.188 |
20 |
3 |
0 |
0.636 |
10 |
|
P |
156 |
42 |
8671 |
◊ |
B |
x,y,z |
1_555 |
165 |
42 |
19884 |
1490.8 |
-16.0 |
0.165 |
20 |
4 |
0 |
0.636 |
11 |
|
J |
166 |
44 |
8674 |
◊ |
C |
x,y,z |
1_555 |
169 |
43 |
19881 |
1490.0 |
-15.6 |
0.210 |
20 |
3 |
0 |
0.636 |
12 |
|
O |
163 |
42 |
8686 |
◊ |
H |
x,y,z |
1_555 |
168 |
43 |
19872 |
1489.6 |
-16.1 |
0.175 |
20 |
3 |
0 |
0.636 |
| Average: |
1501.6 |
-15.8 |
0.195 |
20 |
3 |
0 |
0.636 |
| 3 |
13 |
|
P |
74 |
16 |
8671 |
◊ |
G |
x,y,z |
1_555 |
64 |
16 |
19784 |
660.4 |
-9.5 |
0.124 |
5 |
4 |
0 |
0.216 |
14 |
|
M |
69 |
15 |
8701 |
◊ |
A |
x,y,z |
1_555 |
68 |
16 |
19878 |
659.2 |
-9.6 |
0.117 |
5 |
4 |
0 |
0.216 |
15 |
|
N |
72 |
17 |
8676 |
◊ |
C |
x,y,z |
1_555 |
67 |
17 |
19881 |
655.7 |
-9.5 |
0.123 |
5 |
4 |
0 |
0.216 |
16 |
|
O |
70 |
16 |
8686 |
◊ |
E |
x,y,z |
1_555 |
67 |
16 |
19870 |
654.7 |
-9.2 |
0.129 |
5 |
4 |
0 |
0.216 |
17 |
|
J |
68 |
16 |
8674 |
◊ |
F |
x,y,z |
1_555 |
67 |
16 |
19846 |
652.8 |
-9.2 |
0.128 |
5 |
4 |
0 |
0.216 |
18 |
|
K |
70 |
16 |
8689 |
◊ |
H |
x,y,z |
1_555 |
66 |
16 |
19872 |
652.6 |
-9.4 |
0.124 |
5 |
4 |
0 |
0.216 |
19 |
|
I |
71 |
16 |
8666 |
◊ |
D |
x,y,z |
1_555 |
66 |
16 |
19887 |
650.9 |
-9.3 |
0.132 |
5 |
4 |
0 |
0.216 |
20 |
|
L |
64 |
14 |
8690 |
◊ |
B |
x,y,z |
1_555 |
61 |
14 |
19884 |
623.2 |
-9.5 |
0.094 |
5 |
4 |
0 |
0.216 |
| Average: |
651.2 |
-9.4 |
0.121 |
5 |
4 |
0 |
0.216 |
| 4 |
21 |
|
E |
70 |
22 |
19870 |
◊ |
B |
x,y,z-1 |
1_554 |
66 |
21 |
19884 |
632.9 |
2.5 |
0.875 |
12 |
0 |
0 |
0.000 |
22 |
|
F |
66 |
20 |
19846 |
◊ |
A |
x-1,y,z-1 |
1_454 |
64 |
20 |
19878 |
574.5 |
1.8 |
0.852 |
13 |
0 |
0 |
0.000 |
23 |
|
D |
51 |
18 |
19887 |
◊ |
H |
-x,y-1/2,-z+1 |
2_546 |
55 |
18 |
19872 |
521.7 |
4.3 |
0.930 |
11 |
0 |
0 |
0.000 |
24 |
|
C |
50 |
18 |
19881 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
52 |
19 |
19784 |
478.6 |
1.9 |
0.852 |
11 |
0 |
0 |
0.000 |
| Average: |
551.9 |
2.6 |
0.877 |
12 |
0 |
0 |
0.000 |
| 5 |
25 |
|
N |
65 |
19 |
8676 |
◊ |
M |
x,y,z |
1_555 |
61 |
17 |
8701 |
551.5 |
-0.1 |
0.822 |
12 |
6 |
0 |
0.116 |
26 |
|
P |
60 |
16 |
8671 |
◊ |
M |
x,y,z |
1_555 |
61 |
18 |
8701 |
550.7 |
0.0 |
0.815 |
12 |
6 |
0 |
0.116 |
27 |
|
K |
61 |
17 |
8689 |
◊ |
J |
x,y,z |
1_555 |
62 |
18 |
8674 |
547.0 |
0.1 |
0.830 |
12 |
6 |
0 |
0.116 |
28 |
|
O |
61 |
18 |
8686 |
◊ |
N |
x,y,z |
1_555 |
60 |
17 |
8676 |
546.9 |
-0.0 |
0.824 |
12 |
6 |
0 |
0.116 |
29 |
|
P |
60 |
18 |
8671 |
◊ |
O |
x,y,z |
1_555 |
62 |
17 |
8686 |
546.6 |
0.2 |
0.821 |
12 |
6 |
0 |
0.116 |
30 |
|
L |
60 |
16 |
8690 |
◊ |
K |
x,y,z |
1_555 |
61 |
17 |
8689 |
541.0 |
-0.1 |
0.825 |
12 |
6 |
0 |
0.116 |
31 |
|
L |
58 |
17 |
8690 |
◊ |
I |
x,y,z |
1_555 |
60 |
15 |
8666 |
537.7 |
0.0 |
0.821 |
13 |
6 |
0 |
0.116 |
32 |
|
J |
61 |
16 |
8674 |
◊ |
I |
x,y,z |
1_555 |
60 |
18 |
8666 |
537.6 |
-0.2 |
0.813 |
12 |
6 |
0 |
0.116 |
| Average: |
544.9 |
-0.0 |
0.822 |
12 |
6 |
0 |
0.116 |
| 6 |
33 |
|
N |
57 |
17 |
8676 |
◊ |
D |
x,y,z |
1_555 |
63 |
21 |
19887 |
532.6 |
1.0 |
0.759 |
11 |
3 |
0 |
0.066 |
34 |
|
L |
58 |
17 |
8690 |
◊ |
A |
x,y,z |
1_555 |
61 |
21 |
19878 |
532.0 |
2.3 |
0.794 |
10 |
3 |
0 |
0.066 |
35 |
|
O |
58 |
17 |
8686 |
◊ |
F |
x,y,z |
1_555 |
61 |
20 |
19846 |
531.7 |
2.0 |
0.777 |
7 |
3 |
0 |
0.066 |
36 |
|
K |
60 |
17 |
8689 |
◊ |
G |
x,y,z |
1_555 |
63 |
21 |
19784 |
531.1 |
1.0 |
0.779 |
9 |
3 |
0 |
0.066 |
37 |
|
M |
56 |
17 |
8701 |
◊ |
B |
x,y,z |
1_555 |
63 |
22 |
19884 |
530.2 |
1.2 |
0.751 |
10 |
4 |
0 |
0.066 |
38 |
|
J |
55 |
17 |
8674 |
◊ |
E |
x,y,z |
1_555 |
62 |
21 |
19870 |
528.9 |
2.0 |
0.762 |
8 |
3 |
0 |
0.066 |
39 |
|
P |
55 |
17 |
8671 |
◊ |
H |
x,y,z |
1_555 |
59 |
20 |
19872 |
522.0 |
1.0 |
0.760 |
11 |
3 |
0 |
0.066 |
40 |
|
I |
56 |
17 |
8666 |
◊ |
C |
x,y,z |
1_555 |
59 |
20 |
19881 |
513.6 |
2.0 |
0.778 |
11 |
3 |
0 |
0.066 |
| Average: |
527.8 |
1.6 |
0.770 |
10 |
3 |
0 |
0.066 |
| 7 |
41 |
|
D |
46 |
15 |
19887 |
◊ |
B |
x,y,z |
1_555 |
48 |
14 |
19884 |
429.7 |
3.4 |
0.845 |
7 |
8 |
0 |
0.025 |
42 |
|
G |
50 |
14 |
19784 |
◊ |
E |
x,y,z |
1_555 |
43 |
14 |
19870 |
428.1 |
3.4 |
0.853 |
9 |
8 |
0 |
0.025 |
43 |
|
G |
46 |
15 |
19784 |
◊ |
A |
x,y,z |
1_555 |
48 |
14 |
19878 |
427.0 |
3.3 |
0.853 |
8 |
8 |
0 |
0.025 |
44 |
|
F |
43 |
14 |
19846 |
◊ |
D |
x,y,z |
1_555 |
48 |
14 |
19887 |
424.6 |
3.3 |
0.847 |
9 |
8 |
0 |
0.025 |
45 |
|
H |
46 |
13 |
19872 |
◊ |
B |
x,y,z |
1_555 |
46 |
14 |
19884 |
423.9 |
3.3 |
0.847 |
7 |
8 |
0 |
0.025 |
46 |
|
C |
44 |
12 |
19881 |
◊ |
A |
x,y,z |
1_555 |
47 |
14 |
19878 |
422.0 |
3.3 |
0.843 |
8 |
8 |
0 |
0.025 |
47 |
|
E |
46 |
14 |
19870 |
◊ |
C |
x,y,z |
1_555 |
42 |
14 |
19881 |
419.8 |
3.2 |
0.839 |
7 |
8 |
0 |
0.025 |
48 |
|
H |
44 |
15 |
19872 |
◊ |
F |
x,y,z |
1_555 |
43 |
13 |
19846 |
418.9 |
3.2 |
0.841 |
8 |
8 |
0 |
0.025 |
| Average: |
424.2 |
3.3 |
0.846 |
8 |
8 |
0 |
0.025 |
| 8 |
49 |
|
G |
46 |
13 |
19784 |
◊ |
B |
x,y,z |
1_555 |
49 |
14 |
19884 |
425.1 |
-0.3 |
0.704 |
16 |
0 |
0 |
0.070 |
50 |
|
H |
46 |
13 |
19872 |
◊ |
E |
x,y,z |
1_555 |
46 |
12 |
19870 |
423.9 |
-0.3 |
0.705 |
17 |
0 |
0 |
0.070 |
51 |
|
F |
47 |
13 |
19846 |
◊ |
C |
x,y,z |
1_555 |
46 |
14 |
19881 |
423.5 |
-0.2 |
0.714 |
17 |
0 |
0 |
0.070 |
52 |
|
D |
46 |
14 |
19887 |
◊ |
A |
x,y,z |
1_555 |
45 |
13 |
19878 |
421.7 |
-0.2 |
0.716 |
16 |
0 |
0 |
0.070 |
| Average: |
423.6 |
-0.2 |
0.710 |
17 |
0 |
0 |
0.070 |
| 9 |
53 |
|
[CAP]E:502 |
20 |
1 |
483 |
f |
E |
x,y,z |
1_555 |
50 |
21 |
19870 |
284.1 |
-4.4 |
0.692 |
17 |
0 |
0 |
0.302 |
54 |
|
[CAP]D:502 |
20 |
1 |
481 |
f |
D |
x,y,z |
1_555 |
51 |
22 |
19887 |
283.1 |
-3.9 |
0.707 |
19 |
0 |
0 |
0.302 |
55 |
|
[CAP]A:502 |
20 |
1 |
481 |
f |
A |
x,y,z |
1_555 |
50 |
21 |
19878 |
282.6 |
-3.8 |
0.717 |
17 |
0 |
0 |
0.302 |
56 |
|
[CAP]F:502 |
20 |
1 |
484 |
f |
F |
x,y,z |
1_555 |
51 |
21 |
19846 |
282.2 |
-4.4 |
0.700 |
17 |
0 |
0 |
0.302 |
57 |
|
[CAP]G:502 |
20 |
1 |
479 |
f |
G |
x,y,z |
1_555 |
50 |
21 |
19784 |
282.2 |
-4.0 |
0.706 |
18 |
0 |
0 |
0.302 |
58 |
|
[CAP]B:502 |
20 |
1 |
479 |
f |
B |
x,y,z |
1_555 |
49 |
22 |
19884 |
281.8 |
-3.7 |
0.711 |
18 |
0 |
0 |
0.302 |
59 |
|
[CAP]C:502 |
20 |
1 |
481 |
f |
C |
x,y,z |
1_555 |
50 |
21 |
19881 |
279.8 |
-3.9 |
0.666 |
17 |
0 |
0 |
0.302 |
60 |
|
[CAP]H:502 |
20 |
1 |
477 |
f |
H |
x,y,z |
1_555 |
52 |
21 |
19872 |
278.9 |
-3.9 |
0.658 |
17 |
0 |
0 |
0.302 |
| Average: |
281.8 |
-4.0 |
0.695 |
18 |
0 |
0 |
0.302 |
| 10 |
61 |
|
K |
25 |
6 |
8689 |
◊ |
C |
x,y,z |
1_555 |
33 |
12 |
19881 |
266.1 |
-2.4 |
0.410 |
2 |
0 |
0 |
0.061 |
62 |
|
M |
25 |
6 |
8701 |
◊ |
F |
x,y,z |
1_555 |
34 |
12 |
19846 |
265.1 |
-2.4 |
0.420 |
2 |
0 |
0 |
0.061 |
63 |
|
N |
25 |
6 |
8676 |
◊ |
H |
x,y,z |
1_555 |
34 |
12 |
19872 |
264.8 |
-2.5 |
0.410 |
2 |
0 |
0 |
0.061 |
64 |
|
J |
25 |
6 |
8674 |
◊ |
A |
x,y,z |
1_555 |
34 |
12 |
19878 |
264.1 |
-2.4 |
0.423 |
2 |
0 |
0 |
0.061 |
65 |
|
L |
25 |
6 |
8690 |
◊ |
E |
x,y,z |
1_555 |
34 |
12 |
19870 |
263.4 |
-2.4 |
0.417 |
2 |
0 |
0 |
0.061 |
66 |
|
P |
24 |
6 |
8671 |
◊ |
D |
x,y,z |
1_555 |
35 |
12 |
19887 |
263.3 |
-2.3 |
0.428 |
2 |
0 |
0 |
0.061 |
67 |
|
I |
25 |
6 |
8666 |
◊ |
G |
x,y,z |
1_555 |
34 |
12 |
19784 |
263.0 |
-2.5 |
0.412 |
2 |
0 |
0 |
0.061 |
68 |
|
O |
24 |
6 |
8686 |
◊ |
B |
x,y,z |
1_555 |
34 |
12 |
19884 |
262.6 |
-2.3 |
0.419 |
2 |
0 |
0 |
0.061 |
| Average: |
264.0 |
-2.4 |
0.417 |
2 |
0 |
0 |
0.061 |
| 11 |
69 |
|
[CAP]F:502 |
13 |
1 |
484 |
◊ |
E |
x,y,z |
1_555 |
14 |
5 |
19870 |
99.6 |
-0.8 |
0.804 |
3 |
0 |
0 |
0.035 |
70 |
|
[CAP]C:502 |
14 |
1 |
481 |
◊ |
D |
x,y,z |
1_555 |
13 |
5 |
19887 |
99.6 |
-0.8 |
0.804 |
3 |
0 |
0 |
0.035 |
71 |
|
[CAP]D:502 |
13 |
1 |
481 |
◊ |
C |
x,y,z |
1_555 |
13 |
5 |
19881 |
99.5 |
-1.1 |
0.789 |
3 |
0 |
0 |
0.035 |
72 |
|
[CAP]A:502 |
13 |
1 |
481 |
◊ |
B |
x,y,z |
1_555 |
13 |
4 |
19884 |
99.4 |
-1.0 |
0.803 |
3 |
0 |
0 |
0.035 |
73 |
|
[CAP]G:502 |
13 |
1 |
479 |
◊ |
H |
x,y,z |
1_555 |
13 |
5 |
19872 |
99.2 |
-1.0 |
0.787 |
3 |
0 |
0 |
0.035 |
74 |
|
[CAP]E:502 |
13 |
1 |
483 |
◊ |
F |
x,y,z |
1_555 |
14 |
5 |
19846 |
99.1 |
-0.7 |
0.806 |
3 |
0 |
0 |
0.035 |
75 |
|
[CAP]H:502 |
14 |
1 |
477 |
◊ |
G |
x,y,z |
1_555 |
13 |
5 |
19784 |
98.7 |
-0.8 |
0.797 |
3 |
0 |
0 |
0.035 |
76 |
|
[CAP]B:502 |
13 |
1 |
479 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
19878 |
98.7 |
-1.0 |
0.788 |
3 |
0 |
0 |
0.035 |
| Average: |
99.2 |
-0.9 |
0.797 |
3 |
0 |
0 |
0.035 |
| 12 |
77 |
|
E |
12 |
4 |
19870 |
◊ |
A |
x-1,y,z-1 |
1_454 |
12 |
5 |
19878 |
98.8 |
0.4 |
0.578 |
1 |
0 |
0 |
0.000 |
78 |
|
D |
16 |
6 |
19887 |
◊ |
G |
-x,y-1/2,-z+1 |
2_546 |
10 |
4 |
19784 |
88.5 |
-0.8 |
0.384 |
0 |
0 |
0 |
0.000 |
79 |
|
D |
9 |
3 |
19887 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
13 |
5 |
19784 |
84.8 |
-0.9 |
0.370 |
0 |
0 |
0 |
0.000 |
80 |
|
F |
10 |
4 |
19846 |
◊ |
B |
x,y,z-1 |
1_554 |
13 |
5 |
19884 |
83.6 |
-0.5 |
0.459 |
0 |
0 |
0 |
0.000 |
| Average: |
88.9 |
-0.4 |
0.448 |
0 |
0 |
0 |
0.000 |
| 13 |
81 |
|
[EDO]K:202 |
4 |
1 |
184 |
◊ |
J |
x,y,z |
1_555 |
18 |
8 |
8674 |
93.9 |
2.3 |
0.439 |
1 |
0 |
0 |
0.000 |
82 |
|
[EDO]K:201 |
4 |
1 |
184 |
◊ |
K |
x,y,z |
1_555 |
19 |
8 |
8689 |
92.0 |
2.4 |
0.459 |
1 |
0 |
0 |
0.000 |
| Average: |
92.9 |
2.4 |
0.449 |
1 |
0 |
0 |
0.000 |
| 14 |
83 |
|
[EDO]J:201 |
4 |
1 |
184 |
◊ |
I |
x,y,z |
1_555 |
18 |
8 |
8666 |
93.0 |
2.4 |
0.443 |
1 |
0 |
0 |
0.000 |
| 15 |
84 |
|
[EDO]L:201 |
4 |
1 |
183 |
◊ |
L |
x,y,z |
1_555 |
19 |
8 |
8690 |
92.9 |
2.4 |
0.459 |
1 |
0 |
0 |
0.000 |
| 16 |
85 |
|
[EDO]J:202 |
3 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
19881 |
74.8 |
2.0 |
0.355 |
0 |
0 |
0 |
0.000 |
86 |
|
[EDO]P:201 |
3 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
19884 |
73.2 |
2.0 |
0.363 |
0 |
0 |
0 |
0.000 |
87 |
|
[EDO]M:202 |
3 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
19887 |
72.6 |
2.0 |
0.353 |
0 |
0 |
0 |
0.000 |
| Average: |
73.5 |
2.0 |
0.357 |
0 |
0 |
0 |
0.000 |
| 17 |
88 |
|
[EDO]O:203 |
3 |
1 |
182 |
◊ |
H |
x,y,z |
1_555 |
10 |
4 |
19872 |
74.5 |
2.0 |
0.354 |
0 |
0 |
0 |
0.000 |
89 |
|
[EDO]N:201 |
3 |
1 |
183 |
◊ |
F |
x,y,z |
1_555 |
11 |
4 |
19846 |
74.2 |
2.1 |
0.375 |
0 |
0 |
0 |
0.000 |
90 |
|
[EDO]I:203 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
19878 |
73.1 |
2.0 |
0.365 |
0 |
0 |
0 |
0.000 |
| Average: |
73.9 |
2.0 |
0.365 |
0 |
0 |
0 |
0.000 |
| 18 |
91 |
|
[EDO]K:203 |
3 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
9 |
4 |
19870 |
73.1 |
1.7 |
0.334 |
0 |
0 |
0 |
0.000 |
| 19 |
92 |
|
[EDO]I:204 |
4 |
1 |
185 |
◊ |
I |
x,y,z |
1_555 |
9 |
2 |
8666 |
73.0 |
2.6 |
0.333 |
2 |
0 |
0 |
0.000 |
| 20 |
93 |
|
[EDO]I:202 |
4 |
1 |
185 |
f |
L |
x,y,z |
1_555 |
9 |
4 |
8690 |
63.4 |
1.2 |
0.827 |
2 |
0 |
0 |
0.000 |
94 |
|
[EDO]K:204 |
4 |
1 |
184 |
f |
K |
x,y,z |
1_555 |
9 |
4 |
8689 |
62.3 |
1.2 |
0.834 |
2 |
0 |
0 |
0.000 |
| Average: |
62.9 |
1.2 |
0.831 |
2 |
0 |
0 |
0.000 |
| 21 |
95 |
|
[EDO]O:202 |
4 |
1 |
185 |
f |
O |
x,y,z |
1_555 |
9 |
4 |
8686 |
61.1 |
1.2 |
0.827 |
2 |
0 |
0 |
0.000 |
96 |
|
[EDO]O:201 |
4 |
1 |
184 |
f |
P |
x,y,z |
1_555 |
9 |
4 |
8671 |
60.3 |
1.1 |
0.824 |
2 |
0 |
0 |
0.000 |
97 |
|
[EDO]M:201 |
4 |
1 |
185 |
f |
N |
x,y,z |
1_555 |
8 |
4 |
8676 |
60.0 |
1.1 |
0.828 |
2 |
0 |
0 |
0.000 |
98 |
|
[EDO]A:503 |
4 |
1 |
184 |
f |
I |
x,y,z |
1_555 |
9 |
4 |
8666 |
59.5 |
1.1 |
0.824 |
2 |
0 |
0 |
0.000 |
| Average: |
60.2 |
1.1 |
0.826 |
2 |
0 |
0 |
0.000 |
| 22 |
99 |
|
[EDO]M:203 |
3 |
1 |
185 |
◊ |
P |
x,y,z |
1_555 |
9 |
5 |
8671 |
61.0 |
1.6 |
0.262 |
1 |
0 |
0 |
0.000 |
100 |
|
[EDO]O:202 |
3 |
1 |
185 |
◊ |
N |
x,y,z |
1_555 |
10 |
5 |
8676 |
60.7 |
1.5 |
0.266 |
1 |
0 |
0 |
0.000 |
101 |
|
[EDO]A:503 |
3 |
1 |
184 |
◊ |
J |
x,y,z |
1_555 |
10 |
5 |
8674 |
60.4 |
1.6 |
0.266 |
1 |
0 |
0 |
0.000 |
102 |
|
[EDO]O:201 |
3 |
1 |
184 |
◊ |
O |
x,y,z |
1_555 |
10 |
5 |
8686 |
60.2 |
1.6 |
0.268 |
1 |
0 |
0 |
0.000 |
103 |
|
[EDO]M:201 |
3 |
1 |
185 |
◊ |
M |
x,y,z |
1_555 |
10 |
5 |
8701 |
60.1 |
1.6 |
0.267 |
1 |
0 |
0 |
0.000 |
| Average: |
60.5 |
1.6 |
0.266 |
1 |
0 |
0 |
0.000 |
| 23 |
104 |
|
[EDO]M:203 |
4 |
1 |
185 |
f |
M |
x,y,z |
1_555 |
9 |
4 |
8701 |
60.8 |
1.1 |
0.822 |
2 |
0 |
0 |
0.000 |
| 24 |
105 |
|
[EDO]I:202 |
3 |
1 |
185 |
◊ |
I |
x,y,z |
1_555 |
10 |
5 |
8666 |
56.2 |
1.6 |
0.282 |
1 |
0 |
0 |
0.000 |
106 |
|
[EDO]K:204 |
3 |
1 |
184 |
◊ |
L |
x,y,z |
1_555 |
10 |
5 |
8690 |
55.6 |
1.6 |
0.284 |
1 |
0 |
0 |
0.000 |
| Average: |
55.9 |
1.6 |
0.283 |
1 |
0 |
0 |
0.000 |
| 25 |
107 |
|
[EDO]K:202 |
4 |
1 |
184 |
f |
K |
x,y,z |
1_555 |
10 |
4 |
8689 |
55.6 |
1.3 |
0.782 |
1 |
0 |
0 |
0.000 |
108 |
|
[EDO]K:201 |
4 |
1 |
184 |
f |
L |
x,y,z |
1_555 |
10 |
4 |
8690 |
55.3 |
1.3 |
0.792 |
1 |
0 |
0 |
0.000 |
| Average: |
55.5 |
1.3 |
0.787 |
1 |
0 |
0 |
0.000 |
| 26 |
109 |
|
[EDO]L:201 |
4 |
1 |
183 |
f |
I |
x,y,z |
1_555 |
10 |
4 |
8666 |
55.6 |
1.4 |
0.788 |
1 |
0 |
0 |
0.000 |
| 27 |
110 |
|
[EDO]J:201 |
4 |
1 |
184 |
f |
J |
x,y,z |
1_555 |
10 |
4 |
8674 |
55.4 |
1.2 |
0.775 |
1 |
0 |
0 |
0.000 |
| 28 |
111 |
|
[EDO]I:204 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
10 |
3 |
19881 |
53.3 |
1.2 |
0.777 |
0 |
0 |
0 |
0.000 |
| 29 |
112 |
|
[EDO]J:202 |
3 |
1 |
183 |
f |
J |
x,y,z |
1_555 |
11 |
4 |
8674 |
48.1 |
1.1 |
0.800 |
1 |
0 |
0 |
0.000 |
113 |
|
[EDO]P:201 |
3 |
1 |
184 |
f |
P |
x,y,z |
1_555 |
10 |
4 |
8671 |
46.5 |
1.0 |
0.796 |
1 |
0 |
0 |
0.000 |
| Average: |
47.3 |
1.0 |
0.798 |
1 |
0 |
0 |
0.000 |
| 30 |
114 |
|
[EDO]I:204 |
3 |
1 |
185 |
f |
J |
x,y,z |
1_555 |
5 |
4 |
8674 |
47.9 |
1.0 |
0.775 |
0 |
0 |
0 |
0.000 |
| 31 |
115 |
|
[EDO]I:202 |
3 |
1 |
185 |
◊ |
G |
x,y,z |
1_555 |
7 |
3 |
19784 |
46.6 |
1.5 |
0.288 |
0 |
0 |
0 |
0.000 |
116 |
|
[EDO]K:204 |
3 |
1 |
184 |
◊ |
E |
x,y,z |
1_555 |
7 |
3 |
19870 |
45.6 |
1.5 |
0.288 |
0 |
0 |
0 |
0.000 |
| Average: |
46.1 |
1.5 |
0.288 |
0 |
0 |
0 |
0.000 |
| 32 |
117 |
|
[EDO]M:202 |
4 |
1 |
184 |
f |
M |
x,y,z |
1_555 |
11 |
4 |
8701 |
46.1 |
1.1 |
0.804 |
1 |
0 |
0 |
0.000 |
| 33 |
118 |
|
[EDO]K:203 |
4 |
1 |
185 |
f |
K |
x,y,z |
1_555 |
11 |
4 |
8689 |
46.0 |
1.0 |
0.819 |
1 |
0 |
0 |
0.000 |
| 34 |
119 |
|
[EDO]I:203 |
3 |
1 |
184 |
f |
I |
x,y,z |
1_555 |
11 |
4 |
8666 |
45.9 |
1.0 |
0.805 |
1 |
0 |
0 |
0.000 |
120 |
|
[EDO]O:203 |
3 |
1 |
182 |
f |
O |
x,y,z |
1_555 |
10 |
4 |
8686 |
44.9 |
1.0 |
0.791 |
1 |
0 |
0 |
0.000 |
121 |
|
[EDO]N:201 |
3 |
1 |
183 |
f |
N |
x,y,z |
1_555 |
10 |
4 |
8676 |
44.6 |
1.0 |
0.810 |
1 |
0 |
0 |
0.000 |
| Average: |
45.1 |
1.0 |
0.802 |
1 |
0 |
0 |
0.000 |
| 35 |
122 |
|
[EDO]M:201 |
3 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
7 |
3 |
19846 |
45.0 |
1.5 |
0.290 |
0 |
0 |
0 |
0.000 |
123 |
|
[EDO]A:503 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
19878 |
44.2 |
1.5 |
0.289 |
0 |
0 |
0 |
0.000 |
124 |
|
[EDO]O:201 |
3 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
19884 |
44.1 |
1.5 |
0.288 |
0 |
0 |
0 |
0.000 |
125 |
|
[EDO]M:203 |
3 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
19887 |
43.7 |
1.4 |
0.288 |
0 |
0 |
0 |
0.000 |
126 |
|
[EDO]O:202 |
3 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
7 |
3 |
19872 |
42.9 |
1.4 |
0.289 |
0 |
0 |
0 |
0.000 |
| Average: |
44.0 |
1.5 |
0.289 |
0 |
0 |
0 |
0.000 |
| 36 |
127 |
|
[EDO]K:203 |
3 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
4 |
3 |
19881 |
37.2 |
1.4 |
0.933 |
0 |
0 |
0 |
0.000 |
| 37 |
128 |
|
[EDO]I:203 |
3 |
1 |
184 |
◊ |
G |
x,y,z |
1_555 |
3 |
2 |
19784 |
35.4 |
1.2 |
0.936 |
0 |
0 |
0 |
0.000 |
129 |
|
[EDO]N:201 |
3 |
1 |
183 |
◊ |
H |
x,y,z |
1_555 |
3 |
2 |
19872 |
34.4 |
1.1 |
0.929 |
0 |
0 |
0 |
0.000 |
130 |
|
[EDO]O:203 |
3 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
19884 |
33.9 |
1.2 |
0.937 |
0 |
0 |
0 |
0.000 |
| Average: |
34.5 |
1.1 |
0.934 |
0 |
0 |
0 |
0.000 |
| 38 |
131 |
|
[EDO]P:201 |
3 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
19887 |
35.3 |
1.1 |
0.927 |
0 |
0 |
0 |
0.000 |
132 |
|
[EDO]M:202 |
3 |
1 |
184 |
◊ |
F |
x,y,z |
1_555 |
3 |
2 |
19846 |
34.9 |
1.2 |
0.933 |
0 |
0 |
0 |
0.000 |
133 |
|
[EDO]J:202 |
3 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
19878 |
34.4 |
1.1 |
0.937 |
0 |
0 |
0 |
0.000 |
| Average: |
34.8 |
1.1 |
0.932 |
0 |
0 |
0 |
0.000 |
| 39 |
134 |
|
F |
7 |
3 |
19846 |
◊ |
B |
x-1,y,z-1 |
1_454 |
6 |
3 |
19884 |
31.8 |
-0.2 |
0.541 |
0 |
0 |
0 |
0.000 |
135 |
|
E |
5 |
3 |
19870 |
◊ |
A |
x,y,z-1 |
1_554 |
5 |
3 |
19878 |
28.9 |
-0.0 |
0.588 |
0 |
0 |
0 |
0.000 |
136 |
|
C |
2 |
1 |
19881 |
◊ |
H |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
19872 |
1.3 |
-0.0 |
0.555 |
0 |
0 |
0 |
0.000 |
137 |
|
C |
1 |
1 |
19881 |
◊ |
H |
-x,y-1/2,-z+1 |
2_546 |
2 |
1 |
19872 |
0.8 |
-0.0 |
0.579 |
0 |
0 |
0 |
0.000 |
| Average: |
15.7 |
-0.1 |
0.566 |
0 |
0 |
0 |
0.000 |
| 40 |
138 |
|
[MG]D:501 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
10 |
7 |
19887 |
30.8 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.127 |
139 |
|
[MG]G:501 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
10 |
7 |
19784 |
30.8 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.127 |
140 |
|
[MG]C:501 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
7 |
19881 |
30.7 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.127 |
141 |
|
[MG]B:501 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
7 |
19884 |
30.7 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.127 |
142 |
|
[MG]H:501 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
10 |
7 |
19872 |
30.7 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.127 |
143 |
|
[MG]A:501 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
7 |
19878 |
30.6 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.127 |
144 |
|
[MG]F:501 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
10 |
7 |
19846 |
30.6 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.127 |
145 |
|
[MG]E:501 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
10 |
7 |
19870 |
30.6 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.127 |
| Average: |
30.7 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.127 |
| 41 |
146 |
|
[CAP]C:502 |
3 |
1 |
481 |
f |
[MG]C:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.6 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.085 |
147 |
|
[CAP]F:502 |
3 |
1 |
484 |
f |
[MG]F:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.6 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.085 |
148 |
|
[CAP]G:502 |
3 |
1 |
479 |
f |
[MG]G:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.6 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.085 |
149 |
|
[CAP]E:502 |
3 |
1 |
483 |
f |
[MG]E:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.5 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.085 |
150 |
|
[CAP]A:502 |
3 |
1 |
481 |
f |
[MG]A:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.5 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.085 |
151 |
|
[CAP]D:502 |
3 |
1 |
481 |
f |
[MG]D:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.4 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.085 |
152 |
|
[CAP]H:502 |
3 |
1 |
477 |
f |
[MG]H:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.4 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.085 |
153 |
|
[CAP]B:502 |
3 |
1 |
479 |
f |
[MG]B:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.4 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.085 |
| Average: |
28.5 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.085 |
| 42 |
154 |
|
[MG]I:201 |
1 |
1 |
98 |
◊ |
I |
x,y,z |
1_555 |
4 |
2 |
8666 |
17.2 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.029 |
155 |
|
[MG]N:202 |
1 |
1 |
98 |
◊ |
N |
x,y,z |
1_555 |
4 |
2 |
8676 |
16.8 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.029 |
156 |
|
[MG]N:202 |
1 |
1 |
98 |
◊ |
P |
x,y,z |
1_555 |
4 |
2 |
8671 |
16.8 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.029 |
157 |
|
[MG]I:201 |
1 |
1 |
98 |
◊ |
J |
x,y,z |
1_555 |
5 |
2 |
8674 |
16.5 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.029 |
158 |
|
[MG]I:201 |
1 |
1 |
98 |
◊ |
K |
x,y,z |
1_555 |
5 |
2 |
8689 |
16.0 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.029 |
159 |
|
[MG]N:202 |
1 |
1 |
98 |
◊ |
M |
x,y,z |
1_555 |
5 |
2 |
8701 |
16.0 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.029 |
160 |
|
[MG]I:201 |
1 |
1 |
98 |
◊ |
L |
x,y,z |
1_555 |
5 |
2 |
8690 |
15.8 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.029 |
161 |
|
[MG]N:202 |
1 |
1 |
98 |
◊ |
O |
x,y,z |
1_555 |
4 |
2 |
8686 |
15.7 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.029 |
| Average: |
16.4 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.029 |
| 43 |
162 |
|
[MG]B:501 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
19878 |
13.1 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.015 |
163 |
|
[MG]A:501 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
19884 |
13.0 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.015 |
164 |
|
[MG]E:501 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
19846 |
12.7 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.015 |
165 |
|
[MG]F:501 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
19870 |
12.6 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.015 |
166 |
|
[MG]G:501 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
19872 |
12.6 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.015 |
167 |
|
[MG]D:501 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
19881 |
12.6 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.015 |
168 |
|
[MG]C:501 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
19887 |
12.4 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.015 |
169 |
|
[MG]H:501 |
1 |
1 |
98 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
19784 |
12.2 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.015 |
| Average: |
12.6 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.015 |
| 44 |
170 |
|
M |
1 |
1 |
8701 |
◊ |
H |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
19872 |
4.7 |
0.1 |
0.780 |
0 |
0 |
0 |
0.000 |
171 |
|
C |
1 |
1 |
19881 |
◊ |
L |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
8690 |
3.7 |
0.1 |
0.762 |
0 |
0 |
0 |
0.000 |
| Average: |
4.2 |
0.1 |
0.771 |
0 |
0 |
0 |
0.000 |
|