## |
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 |
|
I |
171 |
49 |
9865 |
◊ |
H |
x,y,z |
1_555 |
159 |
44 |
13133 |
1591.1 |
-14.0 |
0.279 |
28 |
17 |
0 |
1.000 |
2 |
|
W |
176 |
51 |
9874 |
◊ |
V |
x,y,z |
1_555 |
155 |
42 |
13132 |
1587.0 |
-13.8 |
0.307 |
26 |
16 |
0 |
1.000 |
Average: |
1589.0 |
-13.9 |
0.293 |
27 |
17 |
0 |
1.000 |
2 |
3 |
|
C |
155 |
36 |
13167 |
◊ |
B |
x,y,z |
1_555 |
184 |
44 |
13056 |
1584.3 |
-10.1 |
0.267 |
16 |
3 |
0 |
0.521 |
4 |
|
Q |
150 |
32 |
13089 |
◊ |
P |
x,y,z |
1_555 |
178 |
43 |
13048 |
1570.3 |
-11.5 |
0.219 |
19 |
3 |
0 |
0.521 |
Average: |
1577.3 |
-10.8 |
0.243 |
18 |
3 |
0 |
0.521 |
3 |
5 |
|
G |
158 |
43 |
12920 |
◊ |
A |
x,y,z |
1_555 |
143 |
39 |
13339 |
1446.0 |
-16.3 |
0.120 |
13 |
4 |
0 |
1.000 |
6 |
|
U |
152 |
42 |
12777 |
◊ |
O |
x,y,z |
1_555 |
150 |
39 |
13240 |
1415.1 |
-14.5 |
0.194 |
15 |
4 |
0 |
1.000 |
Average: |
1430.6 |
-15.4 |
0.157 |
14 |
4 |
0 |
1.000 |
4 |
7 |
|
B |
147 |
38 |
13056 |
◊ |
A |
x,y,z |
1_555 |
161 |
43 |
13339 |
1404.4 |
-13.9 |
0.213 |
15 |
1 |
0 |
0.252 |
8 |
|
P |
139 |
37 |
13048 |
◊ |
O |
x,y,z |
1_555 |
160 |
43 |
13240 |
1401.7 |
-15.4 |
0.138 |
19 |
1 |
0 |
0.252 |
Average: |
1403.1 |
-14.6 |
0.175 |
17 |
1 |
0 |
0.252 |
5 |
9 |
|
U |
139 |
33 |
12777 |
◊ |
T |
x,y,z |
1_555 |
161 |
41 |
12470 |
1391.1 |
-13.0 |
0.192 |
17 |
3 |
0 |
0.324 |
10 |
|
G |
136 |
32 |
12920 |
◊ |
F |
x,y,z |
1_555 |
157 |
41 |
12464 |
1371.4 |
-13.8 |
0.140 |
19 |
3 |
0 |
0.324 |
Average: |
1381.3 |
-13.4 |
0.166 |
18 |
3 |
0 |
0.324 |
6 |
11 |
|
L |
155 |
38 |
11627 |
◊ |
V |
x,y,z |
1_555 |
136 |
35 |
13132 |
1388.7 |
-4.9 |
0.579 |
18 |
5 |
0 |
0.553 |
12 |
|
Z |
157 |
38 |
11694 |
◊ |
H |
x,y,z |
1_555 |
139 |
35 |
13133 |
1372.9 |
-5.1 |
0.566 |
14 |
5 |
0 |
0.553 |
Average: |
1380.8 |
-5.0 |
0.572 |
16 |
5 |
0 |
0.553 |
7 |
13 |
|
T |
141 |
34 |
12470 |
◊ |
S |
x,y,z |
1_555 |
147 |
39 |
12005 |
1354.9 |
-13.0 |
0.146 |
12 |
5 |
0 |
0.352 |
14 |
|
F |
146 |
34 |
12464 |
◊ |
E |
x,y,z |
1_555 |
141 |
39 |
11891 |
1330.9 |
-12.5 |
0.160 |
15 |
5 |
0 |
0.352 |
Average: |
1342.9 |
-12.8 |
0.153 |
14 |
5 |
0 |
0.352 |
8 |
15 |
|
2 |
139 |
40 |
9566 |
◊ |
M |
x,y,z |
1_555 |
134 |
29 |
12484 |
1297.0 |
-8.3 |
0.407 |
25 |
6 |
0 |
1.000 |
16 |
|
N |
140 |
42 |
9532 |
◊ |
1 |
x,y,z |
1_555 |
132 |
30 |
12401 |
1288.9 |
-9.0 |
0.366 |
26 |
7 |
0 |
1.000 |
Average: |
1293.0 |
-8.6 |
0.386 |
26 |
7 |
0 |
1.000 |
9 |
17 |
|
R |
137 |
35 |
12821 |
◊ |
Q |
x,y,z |
1_555 |
143 |
39 |
13089 |
1292.3 |
-12.3 |
0.114 |
14 |
2 |
0 |
0.550 |
18 |
|
D |
132 |
34 |
12864 |
◊ |
C |
x,y,z |
1_555 |
138 |
39 |
13167 |
1291.8 |
-11.3 |
0.128 |
17 |
3 |
0 |
0.550 |
Average: |
1292.1 |
-11.8 |
0.121 |
16 |
3 |
0 |
0.550 |
10 |
19 |
|
S |
126 |
37 |
12005 |
◊ |
R |
x,y,z |
1_555 |
116 |
33 |
12821 |
1254.7 |
-10.5 |
0.147 |
12 |
4 |
0 |
1.000 |
20 |
|
E |
122 |
37 |
11891 |
◊ |
D |
x,y,z |
1_555 |
125 |
34 |
12864 |
1231.6 |
-8.3 |
0.227 |
15 |
5 |
0 |
1.000 |
Average: |
1243.2 |
-9.4 |
0.187 |
14 |
5 |
0 |
1.000 |
11 |
21 |
|
Y |
109 |
27 |
10240 |
◊ |
I |
x,y,z |
1_555 |
104 |
25 |
9865 |
966.5 |
-3.6 |
0.512 |
17 |
6 |
0 |
0.570 |
22 |
|
K |
107 |
27 |
10328 |
◊ |
W |
x,y,z |
1_555 |
104 |
25 |
9874 |
959.9 |
-2.3 |
0.677 |
18 |
7 |
0 |
0.570 |
Average: |
963.2 |
-3.0 |
0.594 |
18 |
7 |
0 |
0.570 |
12 |
23 |
|
M |
98 |
28 |
12484 |
◊ |
L |
x,y,z |
1_555 |
98 |
29 |
11627 |
961.1 |
1.2 |
0.752 |
14 |
9 |
0 |
0.173 |
24 |
|
1 |
97 |
29 |
12401 |
◊ |
Z |
x,y,z |
1_555 |
106 |
30 |
11694 |
935.1 |
-1.2 |
0.629 |
11 |
8 |
0 |
0.173 |
Average: |
948.1 |
0.0 |
0.690 |
13 |
9 |
0 |
0.173 |
13 |
25 |
|
1 |
90 |
24 |
12401 |
◊ |
H |
x,y,z |
1_555 |
101 |
28 |
13133 |
917.5 |
-10.9 |
0.192 |
4 |
2 |
0 |
0.309 |
26 |
|
M |
92 |
24 |
12484 |
◊ |
V |
x,y,z |
1_555 |
103 |
27 |
13132 |
909.6 |
-11.4 |
0.165 |
4 |
2 |
0 |
0.309 |
Average: |
913.5 |
-11.2 |
0.178 |
4 |
2 |
0 |
0.309 |
14 |
27 |
|
K |
94 |
22 |
10328 |
◊ |
X |
x,y,z |
1_555 |
85 |
19 |
10379 |
786.1 |
-1.9 |
0.570 |
7 |
10 |
0 |
0.179 |
28 |
|
Y |
89 |
20 |
10240 |
◊ |
J |
x,y,z |
1_555 |
85 |
19 |
10324 |
757.1 |
-2.5 |
0.516 |
9 |
9 |
0 |
0.179 |
Average: |
771.6 |
-2.2 |
0.543 |
8 |
10 |
0 |
0.179 |
15 |
29 |
|
Z |
84 |
21 |
11694 |
◊ |
I |
x,y,z |
1_555 |
87 |
20 |
9865 |
714.7 |
-3.9 |
0.411 |
7 |
7 |
0 |
0.139 |
30 |
|
L |
81 |
19 |
11627 |
◊ |
W |
x,y,z |
1_555 |
83 |
20 |
9874 |
691.5 |
-4.0 |
0.436 |
9 |
8 |
0 |
0.139 |
Average: |
703.1 |
-4.0 |
0.424 |
8 |
8 |
0 |
0.139 |
16 |
31 |
|
X |
75 |
18 |
10379 |
◊ |
J |
x,y,z |
1_555 |
72 |
19 |
10324 |
682.8 |
-1.9 |
0.515 |
14 |
1 |
0 |
0.053 |
17 |
32 |
|
L |
74 |
23 |
11627 |
◊ |
K |
x,y,z |
1_555 |
69 |
20 |
10328 |
676.8 |
-3.3 |
0.299 |
13 |
4 |
0 |
0.120 |
33 |
|
Z |
76 |
22 |
11694 |
◊ |
Y |
x,y,z |
1_555 |
71 |
21 |
10240 |
666.4 |
-2.4 |
0.399 |
13 |
6 |
0 |
0.120 |
Average: |
671.6 |
-2.8 |
0.349 |
13 |
5 |
0 |
0.120 |
18 |
34 |
|
H |
67 |
16 |
13133 |
◊ |
G |
x,y,z |
1_555 |
70 |
17 |
12920 |
658.5 |
-1.2 |
0.584 |
10 |
13 |
0 |
0.047 |
35 |
|
V |
64 |
15 |
13132 |
◊ |
U |
x,y,z |
1_555 |
68 |
17 |
12777 |
649.0 |
-0.9 |
0.605 |
9 |
11 |
0 |
0.047 |
Average: |
653.8 |
-1.1 |
0.594 |
10 |
12 |
0 |
0.047 |
19 |
36 |
|
H |
65 |
17 |
13133 |
◊ |
A |
x,y,z |
1_555 |
74 |
20 |
13339 |
650.0 |
-4.5 |
0.479 |
8 |
2 |
0 |
0.055 |
37 |
|
V |
58 |
17 |
13132 |
◊ |
O |
x,y,z |
1_555 |
75 |
19 |
13240 |
634.6 |
-4.3 |
0.447 |
8 |
1 |
0 |
0.055 |
Average: |
642.3 |
-4.4 |
0.463 |
8 |
2 |
0 |
0.055 |
20 |
38 |
|
Y |
67 |
22 |
10240 |
◊ |
X |
x,y,z |
1_555 |
58 |
18 |
10379 |
648.6 |
-1.0 |
0.588 |
6 |
5 |
0 |
0.067 |
39 |
|
K |
71 |
22 |
10328 |
◊ |
J |
x,y,z |
1_555 |
60 |
19 |
10324 |
638.5 |
-2.7 |
0.473 |
6 |
4 |
0 |
0.067 |
Average: |
643.5 |
-1.9 |
0.531 |
6 |
5 |
0 |
0.067 |
21 |
40 |
|
1 |
75 |
20 |
12401 |
◊ |
S |
x,y,z |
1_555 |
62 |
14 |
12005 |
636.2 |
-1.7 |
0.556 |
7 |
2 |
0 |
0.015 |
41 |
|
M |
74 |
20 |
12484 |
◊ |
E |
x,y,z |
1_555 |
59 |
14 |
11891 |
620.9 |
-1.3 |
0.579 |
8 |
2 |
0 |
0.015 |
Average: |
628.6 |
-1.5 |
0.567 |
8 |
2 |
0 |
0.015 |
22 |
42 |
|
N |
70 |
16 |
9532 |
◊ |
2 |
x,y,z |
1_555 |
69 |
16 |
9566 |
634.8 |
-4.0 |
0.407 |
10 |
6 |
0 |
0.031 |
23 |
43 |
|
N |
62 |
19 |
9532 |
◊ |
M |
x,y,z |
1_555 |
70 |
19 |
12484 |
615.5 |
-2.5 |
0.552 |
7 |
2 |
0 |
0.042 |
44 |
|
2 |
59 |
20 |
9566 |
◊ |
1 |
x,y,z |
1_555 |
67 |
19 |
12401 |
607.3 |
-2.2 |
0.545 |
9 |
3 |
0 |
0.042 |
Average: |
611.4 |
-2.3 |
0.548 |
8 |
3 |
0 |
0.042 |
24 |
45 |
|
X |
59 |
21 |
10379 |
◊ |
W |
x,y,z |
1_555 |
65 |
24 |
9874 |
603.3 |
-5.9 |
0.239 |
10 |
5 |
0 |
0.296 |
46 |
|
J |
58 |
21 |
10324 |
◊ |
I |
x,y,z |
1_555 |
68 |
24 |
9865 |
602.6 |
-6.0 |
0.225 |
9 |
4 |
0 |
0.296 |
Average: |
602.9 |
-5.9 |
0.232 |
10 |
5 |
0 |
0.296 |
25 |
47 |
|
X |
58 |
15 |
10379 |
◊ |
P |
x,y,z |
1_555 |
50 |
12 |
13048 |
539.9 |
-0.6 |
0.560 |
10 |
2 |
0 |
0.015 |
48 |
|
J |
53 |
14 |
10324 |
◊ |
B |
x,y,z |
1_555 |
50 |
12 |
13056 |
526.2 |
0.8 |
0.692 |
13 |
3 |
0 |
0.015 |
Average: |
533.0 |
0.1 |
0.626 |
12 |
3 |
0 |
0.015 |
26 |
49 |
|
W |
59 |
17 |
9874 |
◊ |
O |
x,y,z |
1_555 |
52 |
13 |
13240 |
538.3 |
-3.5 |
0.451 |
5 |
1 |
0 |
0.021 |
50 |
|
I |
59 |
15 |
9865 |
◊ |
A |
x,y,z |
1_555 |
46 |
12 |
13339 |
511.8 |
-3.5 |
0.407 |
6 |
1 |
0 |
0.021 |
Average: |
525.0 |
-3.5 |
0.429 |
6 |
1 |
0 |
0.021 |
27 |
51 |
|
Z |
58 |
16 |
11694 |
◊ |
R |
x,y,z |
1_555 |
64 |
16 |
12821 |
518.5 |
1.4 |
0.725 |
10 |
3 |
0 |
0.010 |
52 |
|
L |
57 |
15 |
11627 |
◊ |
D |
x,y,z |
1_555 |
56 |
14 |
12864 |
514.5 |
2.4 |
0.791 |
9 |
3 |
0 |
0.010 |
Average: |
516.5 |
1.9 |
0.758 |
10 |
3 |
0 |
0.010 |
28 |
53 |
|
2 |
56 |
19 |
9566 |
◊ |
V |
x,y,z |
1_555 |
54 |
20 |
13132 |
500.2 |
-1.7 |
0.628 |
10 |
4 |
0 |
0.089 |
54 |
|
N |
54 |
19 |
9532 |
◊ |
H |
x,y,z |
1_555 |
57 |
20 |
13133 |
498.4 |
-2.3 |
0.601 |
8 |
5 |
0 |
0.089 |
Average: |
499.3 |
-2.0 |
0.615 |
9 |
5 |
0 |
0.089 |
29 |
55 |
|
W |
45 |
11 |
9874 |
◊ |
P |
x,y,z |
1_555 |
54 |
13 |
13048 |
487.5 |
-2.3 |
0.491 |
6 |
0 |
0 |
0.014 |
56 |
|
I |
43 |
10 |
9865 |
◊ |
B |
x,y,z |
1_555 |
50 |
13 |
13056 |
462.0 |
-2.3 |
0.453 |
5 |
0 |
0 |
0.014 |
Average: |
474.8 |
-2.3 |
0.472 |
6 |
0 |
0 |
0.014 |
30 |
57 |
|
N |
53 |
17 |
9532 |
◊ |
F |
x,y,z |
1_555 |
46 |
11 |
12464 |
455.3 |
-2.8 |
0.442 |
7 |
2 |
0 |
0.041 |
58 |
|
2 |
54 |
17 |
9566 |
◊ |
T |
x,y,z |
1_555 |
42 |
11 |
12470 |
447.4 |
-3.1 |
0.416 |
6 |
2 |
0 |
0.041 |
Average: |
451.3 |
-3.0 |
0.429 |
7 |
2 |
0 |
0.041 |
31 |
59 |
|
P |
47 |
16 |
13048 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
55 |
14 |
12864 |
445.1 |
-1.3 |
0.471 |
3 |
0 |
0 |
0.000 |
32 |
60 |
|
M |
51 |
14 |
12484 |
◊ |
F |
x,y,z |
1_555 |
55 |
16 |
12464 |
434.7 |
-0.7 |
0.646 |
8 |
6 |
0 |
0.042 |
61 |
|
1 |
44 |
13 |
12401 |
◊ |
T |
x,y,z |
1_555 |
53 |
18 |
12470 |
399.0 |
-2.3 |
0.503 |
9 |
7 |
0 |
0.042 |
Average: |
416.9 |
-1.5 |
0.574 |
9 |
7 |
0 |
0.042 |
33 |
62 |
|
K |
32 |
9 |
10328 |
◊ |
D |
x,y,z |
1_555 |
42 |
11 |
12864 |
423.2 |
-2.2 |
0.430 |
4 |
8 |
0 |
0.016 |
63 |
|
Y |
38 |
10 |
10240 |
◊ |
R |
x,y,z |
1_555 |
44 |
11 |
12821 |
414.0 |
-2.1 |
0.466 |
5 |
8 |
0 |
0.016 |
Average: |
418.6 |
-2.2 |
0.448 |
5 |
8 |
0 |
0.016 |
34 |
64 |
|
2 |
47 |
13 |
9566 |
◊ |
U |
x,y,z |
1_555 |
50 |
13 |
12777 |
422.4 |
-3.4 |
0.339 |
2 |
1 |
0 |
0.030 |
65 |
|
N |
52 |
13 |
9532 |
◊ |
G |
x,y,z |
1_555 |
44 |
13 |
12920 |
409.9 |
-2.8 |
0.415 |
3 |
2 |
0 |
0.030 |
Average: |
416.1 |
-3.1 |
0.377 |
3 |
2 |
0 |
0.030 |
35 |
66 |
|
X |
41 |
8 |
10379 |
◊ |
Q |
x,y,z |
1_555 |
44 |
11 |
13089 |
409.7 |
-2.6 |
0.297 |
6 |
3 |
0 |
0.016 |
67 |
|
J |
40 |
9 |
10324 |
◊ |
C |
x,y,z |
1_555 |
45 |
11 |
13167 |
402.6 |
-3.3 |
0.274 |
5 |
4 |
0 |
0.016 |
Average: |
406.1 |
-3.0 |
0.285 |
6 |
4 |
0 |
0.016 |
36 |
68 |
|
[LXT]K:213 |
38 |
1 |
902 |
f |
K |
x,y,z |
1_555 |
51 |
22 |
10328 |
404.2 |
-1.3 |
0.467 |
4 |
0 |
0 |
0.152 |
69 |
|
[LXT]Y:212 |
39 |
1 |
897 |
f |
Y |
x,y,z |
1_555 |
47 |
21 |
10240 |
387.3 |
-2.1 |
0.377 |
4 |
0 |
0 |
0.152 |
Average: |
395.7 |
-1.7 |
0.422 |
4 |
0 |
0 |
0.152 |
37 |
70 |
|
L |
29 |
8 |
11627 |
◊ |
E |
x,y,z |
1_555 |
45 |
13 |
11891 |
350.7 |
-0.1 |
0.577 |
3 |
2 |
0 |
0.005 |
71 |
|
Z |
35 |
8 |
11694 |
◊ |
S |
x,y,z |
1_555 |
49 |
12 |
12005 |
350.4 |
1.1 |
0.684 |
3 |
2 |
0 |
0.005 |
Average: |
350.6 |
0.5 |
0.630 |
3 |
2 |
0 |
0.005 |
38 |
72 |
|
U |
38 |
11 |
12777 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
42 |
12 |
13339 |
336.0 |
4.2 |
0.919 |
5 |
2 |
0 |
0.000 |
39 |
73 |
|
K |
32 |
14 |
10328 |
◊ |
C |
x,y,z |
1_555 |
31 |
8 |
13167 |
304.7 |
1.3 |
0.749 |
5 |
8 |
0 |
0.006 |
74 |
|
Y |
32 |
14 |
10240 |
◊ |
Q |
x,y,z |
1_555 |
33 |
10 |
13089 |
302.3 |
0.7 |
0.694 |
4 |
8 |
0 |
0.006 |
Average: |
303.5 |
1.0 |
0.721 |
5 |
8 |
0 |
0.006 |
40 |
75 |
|
U |
40 |
14 |
12777 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
37 |
18 |
12920 |
286.7 |
1.0 |
0.677 |
1 |
0 |
0 |
0.000 |
41 |
76 |
|
[LXT]K:213 |
22 |
1 |
902 |
◊ |
L |
x,y,z |
1_555 |
36 |
13 |
11627 |
255.8 |
-2.4 |
0.452 |
1 |
0 |
0 |
0.038 |
77 |
|
[LXT]Y:212 |
24 |
1 |
897 |
◊ |
Z |
x,y,z |
1_555 |
32 |
13 |
11694 |
241.5 |
-2.7 |
0.410 |
1 |
0 |
0 |
0.038 |
Average: |
248.6 |
-2.5 |
0.431 |
1 |
0 |
0 |
0.038 |
42 |
78 |
|
R |
35 |
11 |
12821 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
27 |
10 |
13056 |
246.7 |
-2.0 |
0.315 |
2 |
0 |
0 |
0.000 |
43 |
79 |
|
T |
27 |
9 |
12470 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
29 |
10 |
12464 |
213.6 |
1.9 |
0.821 |
0 |
1 |
0 |
0.000 |
44 |
80 |
|
[MES]K:214 |
11 |
1 |
340 |
f |
K |
x,y,z |
1_555 |
26 |
8 |
10328 |
162.4 |
3.2 |
0.115 |
0 |
0 |
0 |
0.000 |
45 |
81 |
|
[MES]Y:213 |
9 |
1 |
342 |
f |
Y |
x,y,z |
1_555 |
26 |
8 |
10240 |
155.4 |
3.6 |
0.283 |
0 |
0 |
0 |
0.000 |
46 |
82 |
|
F |
17 |
4 |
12464 |
◊ |
A |
x,y,z |
1_555 |
18 |
4 |
13339 |
143.7 |
-1.4 |
0.483 |
2 |
0 |
0 |
0.039 |
83 |
|
T |
15 |
4 |
12470 |
◊ |
O |
x,y,z |
1_555 |
17 |
4 |
13240 |
141.7 |
-1.6 |
0.424 |
2 |
0 |
0 |
0.039 |
Average: |
142.7 |
-1.5 |
0.453 |
2 |
0 |
0 |
0.039 |
47 |
84 |
|
E |
17 |
6 |
11891 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
13056 |
139.8 |
0.9 |
0.630 |
2 |
1 |
0 |
0.002 |
85 |
|
S |
15 |
6 |
12005 |
◊ |
P |
x,y,z |
1_555 |
12 |
4 |
13048 |
132.2 |
1.0 |
0.661 |
1 |
1 |
0 |
0.002 |
Average: |
136.0 |
1.0 |
0.646 |
2 |
1 |
0 |
0.002 |
48 |
86 |
|
U |
16 |
4 |
12777 |
◊ |
P |
x,y,z |
1_555 |
15 |
3 |
13048 |
136.0 |
-2.9 |
0.170 |
0 |
0 |
0 |
0.030 |
87 |
|
G |
16 |
3 |
12920 |
◊ |
B |
x,y,z |
1_555 |
12 |
2 |
13056 |
129.2 |
-2.9 |
0.130 |
0 |
0 |
0 |
0.030 |
Average: |
132.6 |
-2.9 |
0.150 |
0 |
0 |
0 |
0.030 |
49 |
88 |
|
T |
16 |
5 |
12470 |
◊ |
P |
x,y,z |
1_555 |
15 |
4 |
13048 |
130.0 |
1.1 |
0.787 |
5 |
0 |
0 |
0.015 |
89 |
|
F |
15 |
5 |
12464 |
◊ |
B |
x,y,z |
1_555 |
14 |
4 |
13056 |
129.3 |
0.3 |
0.685 |
3 |
0 |
0 |
0.015 |
Average: |
129.7 |
0.7 |
0.736 |
4 |
0 |
0 |
0.015 |
50 |
90 |
|
T |
16 |
5 |
12470 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
12 |
5 |
12920 |
115.0 |
-0.3 |
0.503 |
1 |
0 |
0 |
0.000 |
51 |
91 |
|
R |
15 |
5 |
12821 |
◊ |
P |
x,y,z |
1_555 |
12 |
3 |
13048 |
105.0 |
0.8 |
0.732 |
1 |
2 |
0 |
0.000 |
92 |
|
D |
13 |
5 |
12864 |
◊ |
B |
x,y,z |
1_555 |
12 |
2 |
13056 |
94.3 |
0.7 |
0.689 |
0 |
0 |
0 |
0.000 |
Average: |
99.6 |
0.7 |
0.711 |
1 |
1 |
0 |
0.000 |
52 |
93 |
|
K |
12 |
3 |
10328 |
◊ |
V |
x,y,z |
1_555 |
6 |
2 |
13132 |
102.4 |
-1.9 |
0.229 |
0 |
0 |
0 |
0.014 |
94 |
|
Y |
10 |
3 |
10240 |
◊ |
H |
x,y,z |
1_555 |
5 |
2 |
13133 |
88.2 |
-1.8 |
0.189 |
0 |
0 |
0 |
0.014 |
Average: |
95.3 |
-1.9 |
0.209 |
0 |
0 |
0 |
0.014 |
53 |
95 |
|
T |
9 |
2 |
12470 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
12 |
4 |
11891 |
87.8 |
-1.1 |
0.327 |
0 |
0 |
0 |
0.000 |
54 |
96 |
|
Q |
14 |
4 |
13089 |
◊ |
O |
x,y,z |
1_555 |
9 |
3 |
13240 |
84.6 |
-1.3 |
0.361 |
0 |
0 |
0 |
0.014 |
97 |
|
C |
12 |
3 |
13167 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
13339 |
80.8 |
-1.6 |
0.278 |
0 |
0 |
0 |
0.014 |
Average: |
82.7 |
-1.4 |
0.320 |
0 |
0 |
0 |
0.014 |
55 |
98 |
|
M |
10 |
3 |
12484 |
◊ |
U |
x,y,z |
1_555 |
8 |
3 |
12777 |
73.5 |
0.8 |
0.716 |
0 |
0 |
0 |
0.000 |
99 |
|
1 |
8 |
3 |
12401 |
◊ |
G |
x,y,z |
1_555 |
7 |
3 |
12920 |
68.0 |
1.1 |
0.761 |
1 |
0 |
0 |
0.000 |
Average: |
70.8 |
1.0 |
0.739 |
1 |
0 |
0 |
0.000 |
56 |
100 |
|
[MES]Y:213 |
9 |
1 |
342 |
f |
[LXT]Y:212 |
x,y,z |
1_555 |
8 |
1 |
897 |
69.5 |
1.0 |
0.032 |
0 |
0 |
0 |
0.000 |
57 |
101 |
|
[MES]K:214 |
9 |
1 |
340 |
f |
[LXT]K:213 |
x,y,z |
1_555 |
7 |
1 |
902 |
67.2 |
0.9 |
0.026 |
0 |
0 |
0 |
0.000 |
58 |
102 |
|
E |
8 |
3 |
11891 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
13339 |
65.6 |
-0.2 |
0.482 |
1 |
0 |
0 |
0.007 |
103 |
|
S |
6 |
2 |
12005 |
◊ |
O |
x,y,z |
1_555 |
3 |
1 |
13240 |
47.4 |
-0.3 |
0.447 |
0 |
0 |
0 |
0.007 |
Average: |
56.5 |
-0.2 |
0.464 |
1 |
0 |
0 |
0.007 |
59 |
104 |
|
[MG]I:196 |
1 |
1 |
98 |
f |
I |
x,y,z |
1_555 |
11 |
7 |
9865 |
53.7 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.313 |
60 |
105 |
|
[MG]D:2 |
1 |
1 |
98 |
f |
L |
x,y,z |
1_555 |
10 |
7 |
11627 |
52.0 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.216 |
61 |
106 |
|
[MG]L:195 |
1 |
1 |
98 |
f |
L |
x,y,z |
1_555 |
9 |
6 |
11627 |
50.1 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.273 |
62 |
107 |
|
[MG]N:188 |
1 |
1 |
98 |
f |
N |
x,y,z |
1_555 |
10 |
7 |
9532 |
49.4 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.233 |
63 |
108 |
|
[MG]G:1 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
4 |
3 |
12920 |
49.1 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.249 |
64 |
109 |
|
V |
5 |
1 |
13132 |
◊ |
P |
x,y,z |
1_555 |
8 |
3 |
13048 |
47.3 |
0.3 |
0.626 |
0 |
0 |
0 |
0.000 |
110 |
|
H |
6 |
2 |
13133 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
13056 |
39.7 |
0.1 |
0.651 |
0 |
0 |
0 |
0.000 |
Average: |
43.5 |
0.2 |
0.638 |
0 |
0 |
0 |
0.000 |
65 |
111 |
|
D |
5 |
2 |
12864 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
13339 |
43.5 |
0.3 |
0.436 |
0 |
0 |
0 |
0.000 |
112 |
|
R |
4 |
3 |
12821 |
◊ |
O |
x,y,z |
1_555 |
2 |
1 |
13240 |
32.1 |
0.8 |
0.833 |
1 |
0 |
0 |
0.000 |
Average: |
37.8 |
0.6 |
0.635 |
1 |
0 |
0 |
0.000 |
66 |
113 |
|
[MG]K:212 |
1 |
1 |
98 |
f |
K |
x,y,z |
1_555 |
7 |
6 |
10328 |
40.9 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.314 |
67 |
114 |
|
[MG]H:224 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
9 |
7 |
13133 |
39.9 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.301 |
68 |
115 |
|
[MG]I:195 |
1 |
1 |
98 |
f |
I |
x,y,z |
1_555 |
8 |
3 |
9865 |
38.9 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.187 |
69 |
116 |
|
U |
5 |
2 |
12777 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
8 |
4 |
12464 |
37.1 |
-0.3 |
0.554 |
0 |
0 |
0 |
0.000 |
70 |
117 |
|
[MG]G:241 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
9 |
5 |
12920 |
34.6 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.102 |
71 |
118 |
|
[MG]F:242 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
6 |
5 |
12464 |
31.5 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.100 |
72 |
119 |
|
[MG]D:2 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
12864 |
31.0 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.008 |
73 |
120 |
|
[MG]G:241 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
8 |
3 |
12464 |
30.2 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.036 |
74 |
121 |
|
[MG]K:212 |
1 |
1 |
98 |
◊ |
W |
x,y,z |
1_555 |
5 |
2 |
9874 |
29.8 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.167 |
75 |
122 |
|
S |
2 |
1 |
12005 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
13167 |
29.0 |
0.1 |
0.470 |
0 |
0 |
0 |
0.000 |
76 |
123 |
|
[MG]H:224 |
1 |
1 |
98 |
◊ |
Z |
x,y,z |
1_555 |
4 |
1 |
11694 |
26.8 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.146 |
77 |
124 |
|
[MG]N:188 |
1 |
1 |
98 |
◊ |
1 |
x,y,z |
1_555 |
1 |
1 |
12401 |
21.8 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.082 |
78 |
125 |
|
[MG]G:241 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
13339 |
21.1 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.063 |
79 |
126 |
|
[MG]F:242 |
1 |
1 |
98 |
◊ |
G |
x,y,z |
1_555 |
4 |
2 |
12920 |
17.6 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.020 |
80 |
127 |
|
[MG]L:195 |
1 |
1 |
98 |
◊ |
V |
x,y,z |
1_555 |
4 |
2 |
13132 |
17.6 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.045 |
81 |
128 |
|
[MG]I:196 |
1 |
1 |
98 |
◊ |
Y |
x,y,z |
1_555 |
4 |
2 |
10240 |
16.0 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.056 |
82 |
129 |
|
P |
1 |
1 |
13048 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
1 |
1 |
13167 |
4.6 |
0.1 |
0.535 |
0 |
0 |
0 |
0.000 |
|