| ## |
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 |
186 |
53 |
10016 |
◊ |
H |
x,y,z |
1_555 |
157 |
42 |
13205 |
1668.5 |
-15.2 |
0.237 |
27 |
17 |
0 |
1.000 |
2 |
|
W |
183 |
53 |
10038 |
◊ |
V |
x,y,z |
1_555 |
155 |
42 |
13206 |
1654.0 |
-15.3 |
0.230 |
25 |
18 |
0 |
1.000 |
| Average: |
1661.2 |
-15.2 |
0.233 |
26 |
18 |
0 |
1.000 |
| 2 |
3 |
|
C |
157 |
35 |
13209 |
◊ |
B |
x,y,z |
1_555 |
182 |
44 |
13178 |
1619.3 |
-11.7 |
0.176 |
16 |
3 |
0 |
0.511 |
4 |
|
Q |
153 |
35 |
13215 |
◊ |
P |
x,y,z |
1_555 |
185 |
44 |
13149 |
1582.5 |
-11.7 |
0.170 |
17 |
3 |
0 |
0.511 |
| Average: |
1600.9 |
-11.7 |
0.173 |
17 |
3 |
0 |
0.511 |
| 3 |
5 |
|
U |
155 |
41 |
12860 |
◊ |
O |
x,y,z |
1_555 |
149 |
40 |
13352 |
1443.6 |
-16.5 |
0.133 |
14 |
2 |
0 |
0.344 |
6 |
|
G |
157 |
41 |
12906 |
◊ |
A |
x,y,z |
1_555 |
149 |
39 |
13368 |
1439.3 |
-16.7 |
0.132 |
13 |
2 |
0 |
0.344 |
| Average: |
1441.5 |
-16.6 |
0.133 |
14 |
2 |
0 |
0.344 |
| 4 |
7 |
|
P |
149 |
39 |
13149 |
◊ |
O |
x,y,z |
1_555 |
162 |
42 |
13352 |
1410.8 |
-16.8 |
0.106 |
18 |
1 |
0 |
0.267 |
8 |
|
B |
146 |
38 |
13178 |
◊ |
A |
x,y,z |
1_555 |
157 |
41 |
13368 |
1406.6 |
-16.8 |
0.103 |
18 |
1 |
0 |
0.267 |
| Average: |
1408.7 |
-16.8 |
0.104 |
18 |
1 |
0 |
0.267 |
| 5 |
9 |
|
G |
137 |
33 |
12906 |
◊ |
F |
x,y,z |
1_555 |
158 |
41 |
12472 |
1405.9 |
-13.4 |
0.158 |
16 |
3 |
0 |
0.316 |
10 |
|
U |
139 |
33 |
12860 |
◊ |
T |
x,y,z |
1_555 |
161 |
41 |
12444 |
1397.3 |
-13.4 |
0.158 |
16 |
2 |
0 |
0.316 |
| Average: |
1401.6 |
-13.4 |
0.158 |
16 |
3 |
0 |
0.316 |
| 6 |
11 |
|
L |
152 |
38 |
11950 |
◊ |
V |
x,y,z |
1_555 |
136 |
35 |
13206 |
1402.4 |
-4.8 |
0.571 |
16 |
4 |
0 |
0.210 |
12 |
|
Z |
151 |
37 |
11956 |
◊ |
H |
x,y,z |
1_555 |
138 |
35 |
13205 |
1393.5 |
-4.6 |
0.580 |
16 |
3 |
0 |
0.210 |
| Average: |
1397.9 |
-4.7 |
0.575 |
16 |
4 |
0 |
0.210 |
| 7 |
13 |
|
T |
148 |
34 |
12444 |
◊ |
S |
x,y,z |
1_555 |
143 |
38 |
12146 |
1335.7 |
-12.5 |
0.141 |
17 |
4 |
0 |
0.304 |
14 |
|
F |
148 |
34 |
12472 |
◊ |
E |
x,y,z |
1_555 |
143 |
38 |
12102 |
1333.3 |
-12.2 |
0.151 |
14 |
4 |
0 |
0.304 |
| Average: |
1334.5 |
-12.4 |
0.146 |
16 |
4 |
0 |
0.304 |
| 8 |
15 |
|
N |
146 |
40 |
9672 |
◊ |
a |
x,y,z |
1_555 |
133 |
30 |
12511 |
1325.6 |
-7.2 |
0.422 |
24 |
3 |
0 |
1.000 |
16 |
|
b |
147 |
40 |
9670 |
◊ |
M |
x,y,z |
1_555 |
134 |
30 |
12518 |
1321.6 |
-7.1 |
0.432 |
24 |
3 |
0 |
1.000 |
| Average: |
1323.6 |
-7.1 |
0.427 |
24 |
3 |
0 |
1.000 |
| 9 |
17 |
|
D |
138 |
35 |
12949 |
◊ |
C |
x,y,z |
1_555 |
143 |
37 |
13209 |
1313.9 |
-11.3 |
0.137 |
17 |
1 |
0 |
0.564 |
18 |
|
R |
140 |
37 |
12965 |
◊ |
Q |
x,y,z |
1_555 |
141 |
37 |
13215 |
1307.9 |
-11.2 |
0.143 |
17 |
1 |
0 |
0.564 |
| Average: |
1310.9 |
-11.3 |
0.140 |
17 |
1 |
0 |
0.564 |
| 10 |
19 |
|
S |
134 |
37 |
12146 |
◊ |
R |
x,y,z |
1_555 |
139 |
41 |
12965 |
1297.4 |
-7.3 |
0.279 |
15 |
4 |
0 |
1.000 |
20 |
|
E |
130 |
37 |
12102 |
◊ |
D |
x,y,z |
1_555 |
140 |
41 |
12949 |
1285.1 |
-8.1 |
0.254 |
16 |
4 |
0 |
1.000 |
| Average: |
1291.2 |
-7.7 |
0.267 |
16 |
4 |
0 |
1.000 |
| 11 |
21 |
|
K |
106 |
27 |
10463 |
◊ |
W |
x,y,z |
1_555 |
102 |
25 |
10038 |
987.6 |
-3.3 |
0.554 |
18 |
5 |
0 |
0.311 |
22 |
|
Y |
109 |
28 |
10465 |
◊ |
I |
x,y,z |
1_555 |
102 |
24 |
10016 |
984.7 |
-3.0 |
0.575 |
19 |
5 |
0 |
0.311 |
| Average: |
986.2 |
-3.1 |
0.564 |
19 |
5 |
0 |
0.311 |
| 12 |
23 |
|
M |
96 |
28 |
12518 |
◊ |
L |
x,y,z |
1_555 |
98 |
31 |
11950 |
948.7 |
-1.2 |
0.635 |
13 |
10 |
0 |
0.144 |
24 |
|
a |
95 |
28 |
12511 |
◊ |
Z |
x,y,z |
1_555 |
97 |
29 |
11956 |
945.7 |
-1.2 |
0.633 |
13 |
10 |
0 |
0.144 |
| Average: |
947.2 |
-1.2 |
0.634 |
13 |
10 |
0 |
0.144 |
| 13 |
25 |
|
M |
93 |
25 |
12518 |
◊ |
V |
x,y,z |
1_555 |
103 |
29 |
13206 |
904.5 |
-11.2 |
0.183 |
3 |
2 |
0 |
0.336 |
26 |
|
a |
93 |
25 |
12511 |
◊ |
H |
x,y,z |
1_555 |
100 |
27 |
13205 |
899.8 |
-11.1 |
0.175 |
3 |
2 |
0 |
0.336 |
| Average: |
902.1 |
-11.2 |
0.179 |
3 |
2 |
0 |
0.336 |
| 14 |
27 |
|
K |
85 |
20 |
10463 |
◊ |
X |
x,y,z |
1_555 |
84 |
19 |
10479 |
792.7 |
-2.8 |
0.450 |
7 |
9 |
0 |
0.203 |
28 |
|
Y |
87 |
20 |
10465 |
◊ |
J |
x,y,z |
1_555 |
82 |
19 |
10428 |
787.9 |
-4.1 |
0.382 |
7 |
9 |
0 |
0.203 |
| Average: |
790.3 |
-3.4 |
0.416 |
7 |
9 |
0 |
0.203 |
| 15 |
29 |
|
Z |
78 |
21 |
11956 |
◊ |
Y |
x,y,z |
1_555 |
78 |
21 |
10465 |
720.5 |
-3.7 |
0.295 |
12 |
6 |
0 |
0.112 |
30 |
|
L |
76 |
22 |
11950 |
◊ |
K |
x,y,z |
1_555 |
78 |
21 |
10463 |
718.2 |
-3.5 |
0.292 |
12 |
6 |
0 |
0.112 |
| Average: |
719.4 |
-3.6 |
0.293 |
12 |
6 |
0 |
0.112 |
| 16 |
31 |
|
L |
88 |
21 |
11950 |
◊ |
W |
x,y,z |
1_555 |
87 |
20 |
10038 |
710.0 |
-2.4 |
0.501 |
7 |
7 |
0 |
0.075 |
32 |
|
Z |
87 |
21 |
11956 |
◊ |
I |
x,y,z |
1_555 |
86 |
20 |
10016 |
708.8 |
-2.3 |
0.505 |
7 |
6 |
0 |
0.075 |
| Average: |
709.4 |
-2.3 |
0.503 |
7 |
7 |
0 |
0.075 |
| 17 |
33 |
|
X |
73 |
19 |
10479 |
◊ |
J |
x,y,z |
1_555 |
75 |
19 |
10428 |
681.0 |
-1.9 |
0.472 |
10 |
0 |
0 |
0.019 |
| 18 |
34 |
|
V |
66 |
17 |
13206 |
◊ |
O |
x,y,z |
1_555 |
73 |
20 |
13352 |
660.6 |
-4.9 |
0.488 |
12 |
4 |
0 |
0.125 |
35 |
|
H |
68 |
18 |
13205 |
◊ |
A |
x,y,z |
1_555 |
75 |
20 |
13368 |
656.3 |
-5.1 |
0.482 |
12 |
4 |
0 |
0.125 |
| Average: |
658.5 |
-5.0 |
0.485 |
12 |
4 |
0 |
0.125 |
| 19 |
36 |
|
H |
63 |
15 |
13205 |
◊ |
G |
x,y,z |
1_555 |
72 |
17 |
12906 |
648.6 |
-0.7 |
0.646 |
10 |
15 |
0 |
0.090 |
37 |
|
V |
63 |
15 |
13206 |
◊ |
U |
x,y,z |
1_555 |
72 |
17 |
12860 |
644.7 |
-0.6 |
0.652 |
10 |
15 |
0 |
0.090 |
| Average: |
646.7 |
-0.6 |
0.649 |
10 |
15 |
0 |
0.090 |
| 20 |
38 |
|
Y |
70 |
23 |
10465 |
◊ |
X |
x,y,z |
1_555 |
60 |
18 |
10479 |
646.0 |
-2.3 |
0.481 |
8 |
3 |
0 |
0.034 |
39 |
|
K |
70 |
23 |
10463 |
◊ |
J |
x,y,z |
1_555 |
61 |
18 |
10428 |
644.8 |
-2.1 |
0.505 |
6 |
3 |
0 |
0.034 |
| Average: |
645.4 |
-2.2 |
0.493 |
7 |
3 |
0 |
0.034 |
| 21 |
40 |
|
N |
71 |
17 |
9672 |
◊ |
b |
x,y,z |
1_555 |
70 |
17 |
9670 |
638.2 |
-4.3 |
0.335 |
11 |
4 |
0 |
0.060 |
| 22 |
41 |
|
N |
64 |
19 |
9672 |
◊ |
M |
x,y,z |
1_555 |
72 |
21 |
12518 |
620.5 |
-2.5 |
0.493 |
10 |
2 |
0 |
0.085 |
42 |
|
b |
63 |
19 |
9670 |
◊ |
a |
x,y,z |
1_555 |
70 |
21 |
12511 |
604.9 |
-1.9 |
0.531 |
10 |
2 |
0 |
0.085 |
| Average: |
612.7 |
-2.2 |
0.512 |
10 |
2 |
0 |
0.085 |
| 23 |
43 |
|
a |
67 |
19 |
12511 |
◊ |
S |
x,y,z |
1_555 |
60 |
14 |
12146 |
608.6 |
-2.1 |
0.480 |
7 |
3 |
0 |
0.028 |
44 |
|
M |
68 |
19 |
12518 |
◊ |
E |
x,y,z |
1_555 |
56 |
13 |
12102 |
604.1 |
-2.2 |
0.483 |
8 |
3 |
0 |
0.028 |
| Average: |
606.3 |
-2.1 |
0.482 |
8 |
3 |
0 |
0.028 |
| 24 |
45 |
|
X |
59 |
21 |
10479 |
◊ |
W |
x,y,z |
1_555 |
67 |
23 |
10038 |
580.4 |
-4.0 |
0.326 |
9 |
3 |
0 |
0.218 |
46 |
|
J |
58 |
21 |
10428 |
◊ |
I |
x,y,z |
1_555 |
67 |
23 |
10016 |
579.2 |
-3.9 |
0.335 |
9 |
3 |
0 |
0.218 |
| Average: |
579.8 |
-3.9 |
0.330 |
9 |
3 |
0 |
0.218 |
| 25 |
47 |
|
X |
62 |
17 |
10479 |
◊ |
P |
x,y,z |
1_555 |
50 |
12 |
13149 |
551.7 |
-0.2 |
0.529 |
13 |
2 |
0 |
0.173 |
48 |
|
J |
61 |
16 |
10428 |
◊ |
B |
x,y,z |
1_555 |
52 |
12 |
13178 |
549.7 |
-0.3 |
0.520 |
15 |
2 |
0 |
0.173 |
| Average: |
550.7 |
-0.2 |
0.525 |
14 |
2 |
0 |
0.173 |
| 26 |
49 |
|
W |
63 |
18 |
10038 |
◊ |
O |
x,y,z |
1_555 |
50 |
13 |
13352 |
541.7 |
-4.2 |
0.423 |
5 |
1 |
0 |
0.075 |
50 |
|
I |
60 |
18 |
10016 |
◊ |
A |
x,y,z |
1_555 |
48 |
13 |
13368 |
538.5 |
-4.0 |
0.428 |
5 |
2 |
0 |
0.075 |
| Average: |
540.1 |
-4.1 |
0.425 |
5 |
2 |
0 |
0.075 |
| 27 |
51 |
|
Z |
58 |
14 |
11956 |
◊ |
R |
x,y,z |
1_555 |
59 |
15 |
12965 |
529.1 |
1.9 |
0.748 |
9 |
4 |
0 |
0.014 |
52 |
|
L |
57 |
14 |
11950 |
◊ |
D |
x,y,z |
1_555 |
56 |
14 |
12949 |
526.4 |
1.9 |
0.750 |
10 |
4 |
0 |
0.014 |
| Average: |
527.8 |
1.9 |
0.749 |
10 |
4 |
0 |
0.014 |
| 28 |
53 |
|
b |
52 |
18 |
9670 |
◊ |
V |
x,y,z |
1_555 |
55 |
21 |
13206 |
503.8 |
-2.1 |
0.567 |
10 |
5 |
0 |
0.191 |
54 |
|
N |
52 |
18 |
9672 |
◊ |
H |
x,y,z |
1_555 |
57 |
21 |
13205 |
500.3 |
-2.2 |
0.560 |
9 |
5 |
0 |
0.191 |
| Average: |
502.0 |
-2.2 |
0.564 |
10 |
5 |
0 |
0.191 |
| 29 |
55 |
|
W |
48 |
12 |
10038 |
◊ |
P |
x,y,z |
1_555 |
59 |
14 |
13149 |
486.9 |
-2.8 |
0.402 |
8 |
0 |
0 |
0.163 |
56 |
|
I |
52 |
12 |
10016 |
◊ |
B |
x,y,z |
1_555 |
58 |
14 |
13178 |
484.3 |
-2.9 |
0.411 |
8 |
0 |
0 |
0.163 |
| Average: |
485.6 |
-2.8 |
0.406 |
8 |
0 |
0 |
0.163 |
| 30 |
57 |
|
P |
51 |
16 |
13149 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
56 |
14 |
12949 |
486.7 |
-0.9 |
0.481 |
6 |
2 |
0 |
0.000 |
| 31 |
58 |
|
b |
53 |
15 |
9670 |
◊ |
T |
x,y,z |
1_555 |
47 |
11 |
12444 |
471.3 |
-2.0 |
0.491 |
7 |
2 |
0 |
0.026 |
59 |
|
N |
54 |
15 |
9672 |
◊ |
F |
x,y,z |
1_555 |
46 |
11 |
12472 |
463.2 |
-2.3 |
0.461 |
7 |
2 |
0 |
0.026 |
| Average: |
467.3 |
-2.2 |
0.476 |
7 |
2 |
0 |
0.026 |
| 32 |
60 |
|
M |
50 |
12 |
12518 |
◊ |
F |
x,y,z |
1_555 |
56 |
17 |
12472 |
434.7 |
0.5 |
0.733 |
6 |
7 |
0 |
0.010 |
61 |
|
a |
50 |
13 |
12511 |
◊ |
T |
x,y,z |
1_555 |
54 |
17 |
12444 |
428.6 |
0.4 |
0.723 |
6 |
7 |
0 |
0.010 |
| Average: |
431.7 |
0.4 |
0.728 |
6 |
7 |
0 |
0.010 |
| 33 |
62 |
|
N |
50 |
13 |
9672 |
◊ |
G |
x,y,z |
1_555 |
50 |
13 |
12906 |
427.4 |
-2.5 |
0.418 |
3 |
2 |
0 |
0.050 |
63 |
|
b |
50 |
13 |
9670 |
◊ |
U |
x,y,z |
1_555 |
51 |
13 |
12860 |
418.8 |
-2.4 |
0.425 |
3 |
2 |
0 |
0.050 |
| Average: |
423.1 |
-2.5 |
0.421 |
3 |
2 |
0 |
0.050 |
| 34 |
64 |
|
Y |
39 |
10 |
10465 |
◊ |
R |
x,y,z |
1_555 |
48 |
12 |
12965 |
423.7 |
-3.8 |
0.303 |
4 |
7 |
0 |
0.031 |
65 |
|
K |
40 |
9 |
10463 |
◊ |
D |
x,y,z |
1_555 |
49 |
12 |
12949 |
420.4 |
-3.6 |
0.327 |
4 |
7 |
0 |
0.031 |
| Average: |
422.1 |
-3.7 |
0.315 |
4 |
7 |
0 |
0.031 |
| 35 |
66 |
|
X |
41 |
8 |
10479 |
◊ |
Q |
x,y,z |
1_555 |
46 |
11 |
13215 |
410.3 |
-2.0 |
0.314 |
6 |
4 |
0 |
0.016 |
67 |
|
J |
41 |
8 |
10428 |
◊ |
C |
x,y,z |
1_555 |
46 |
11 |
13209 |
408.5 |
-2.1 |
0.303 |
5 |
4 |
0 |
0.016 |
| Average: |
409.4 |
-2.1 |
0.309 |
6 |
4 |
0 |
0.016 |
| 36 |
68 |
|
Z |
35 |
9 |
11956 |
◊ |
S |
x,y,z |
1_555 |
46 |
13 |
12146 |
360.5 |
-0.3 |
0.518 |
5 |
2 |
0 |
0.013 |
69 |
|
L |
34 |
8 |
11950 |
◊ |
E |
x,y,z |
1_555 |
49 |
13 |
12102 |
359.4 |
-0.1 |
0.519 |
5 |
2 |
0 |
0.013 |
| Average: |
359.9 |
-0.2 |
0.518 |
5 |
2 |
0 |
0.013 |
| 37 |
70 |
|
U |
38 |
11 |
12860 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
44 |
15 |
13368 |
344.9 |
1.7 |
0.812 |
1 |
0 |
0 |
0.000 |
| 38 |
71 |
|
Y |
33 |
14 |
10465 |
◊ |
Q |
x,y,z |
1_555 |
35 |
10 |
13215 |
310.7 |
1.3 |
0.727 |
7 |
8 |
0 |
0.009 |
72 |
|
K |
32 |
14 |
10463 |
◊ |
C |
x,y,z |
1_555 |
35 |
10 |
13209 |
310.4 |
1.2 |
0.727 |
7 |
8 |
0 |
0.009 |
| Average: |
310.6 |
1.3 |
0.727 |
7 |
8 |
0 |
0.009 |
| 39 |
73 |
|
U |
38 |
13 |
12860 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
34 |
14 |
12906 |
294.2 |
-0.1 |
0.549 |
2 |
0 |
0 |
0.000 |
| 40 |
74 |
|
T |
40 |
13 |
12444 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
35 |
13 |
12472 |
281.6 |
1.4 |
0.768 |
1 |
1 |
0 |
0.000 |
| 41 |
75 |
|
[049]K:213 |
17 |
1 |
440 |
cf |
K |
x,y,z |
1_555 |
45 |
16 |
10463 |
278.9 |
2.5 |
0.565 |
2 |
0 |
0 |
0.000 |
76 |
|
[049]Y:213 |
18 |
1 |
437 |
cf |
Y |
x,y,z |
1_555 |
40 |
15 |
10465 |
278.4 |
2.0 |
0.567 |
3 |
0 |
0 |
0.000 |
| Average: |
278.7 |
2.2 |
0.566 |
3 |
0 |
0 |
0.000 |
| 42 |
77 |
|
R |
41 |
13 |
12965 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
23 |
10 |
13178 |
273.1 |
-2.0 |
0.234 |
2 |
1 |
0 |
0.000 |
| 43 |
78 |
|
T |
16 |
5 |
12444 |
◊ |
O |
x,y,z |
1_555 |
17 |
4 |
13352 |
151.9 |
-1.5 |
0.445 |
3 |
0 |
0 |
0.042 |
79 |
|
F |
15 |
4 |
12472 |
◊ |
A |
x,y,z |
1_555 |
17 |
4 |
13368 |
149.3 |
-1.5 |
0.459 |
3 |
0 |
0 |
0.042 |
| Average: |
150.6 |
-1.5 |
0.452 |
3 |
0 |
0 |
0.042 |
| 44 |
80 |
|
T |
17 |
6 |
12444 |
◊ |
P |
x,y,z |
1_555 |
16 |
4 |
13149 |
148.0 |
0.6 |
0.659 |
1 |
0 |
0 |
0.000 |
81 |
|
F |
17 |
6 |
12472 |
◊ |
B |
x,y,z |
1_555 |
14 |
4 |
13178 |
140.5 |
0.4 |
0.629 |
1 |
0 |
0 |
0.000 |
| Average: |
144.2 |
0.5 |
0.644 |
1 |
0 |
0 |
0.000 |
| 45 |
82 |
|
T |
17 |
6 |
12444 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
12 |
5 |
12906 |
140.4 |
0.6 |
0.679 |
2 |
0 |
0 |
0.000 |
| 46 |
83 |
|
U |
15 |
4 |
12860 |
◊ |
P |
x,y,z |
1_555 |
14 |
3 |
13149 |
126.4 |
-2.2 |
0.205 |
0 |
0 |
0 |
0.024 |
84 |
|
G |
15 |
4 |
12906 |
◊ |
B |
x,y,z |
1_555 |
13 |
3 |
13178 |
123.7 |
-2.2 |
0.193 |
0 |
0 |
0 |
0.024 |
| Average: |
125.1 |
-2.2 |
0.199 |
0 |
0 |
0 |
0.024 |
| 47 |
85 |
|
R |
17 |
5 |
12965 |
◊ |
P |
x,y,z |
1_555 |
13 |
3 |
13149 |
124.0 |
0.7 |
0.708 |
1 |
2 |
0 |
0.001 |
86 |
|
D |
18 |
5 |
12949 |
◊ |
B |
x,y,z |
1_555 |
12 |
3 |
13178 |
121.6 |
0.7 |
0.703 |
1 |
2 |
0 |
0.001 |
| Average: |
122.8 |
0.7 |
0.706 |
1 |
2 |
0 |
0.001 |
| 48 |
87 |
|
E |
19 |
7 |
12102 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
13178 |
110.9 |
0.7 |
0.660 |
1 |
2 |
0 |
0.001 |
88 |
|
S |
17 |
6 |
12146 |
◊ |
P |
x,y,z |
1_555 |
12 |
4 |
13149 |
109.2 |
0.7 |
0.668 |
1 |
1 |
0 |
0.001 |
| Average: |
110.0 |
0.7 |
0.664 |
1 |
2 |
0 |
0.001 |
| 49 |
89 |
|
T |
11 |
4 |
12444 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
15 |
5 |
12102 |
108.9 |
-0.3 |
0.520 |
2 |
0 |
0 |
0.000 |
| 50 |
90 |
|
C |
15 |
4 |
13209 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
13368 |
97.3 |
-0.6 |
0.479 |
0 |
0 |
0 |
0.006 |
91 |
|
Q |
14 |
4 |
13215 |
◊ |
O |
x,y,z |
1_555 |
8 |
3 |
13352 |
96.8 |
-0.7 |
0.469 |
0 |
0 |
0 |
0.006 |
| Average: |
97.0 |
-0.6 |
0.474 |
0 |
0 |
0 |
0.006 |
| 51 |
92 |
|
Y |
11 |
3 |
10465 |
◊ |
H |
x,y,z |
1_555 |
8 |
2 |
13205 |
78.5 |
-1.6 |
0.287 |
0 |
0 |
0 |
0.019 |
93 |
|
K |
13 |
3 |
10463 |
◊ |
V |
x,y,z |
1_555 |
7 |
2 |
13206 |
76.6 |
-1.6 |
0.268 |
0 |
0 |
0 |
0.019 |
| Average: |
77.6 |
-1.6 |
0.277 |
0 |
0 |
0 |
0.019 |
| 52 |
94 |
|
a |
7 |
3 |
12511 |
◊ |
G |
x,y,z |
1_555 |
10 |
5 |
12906 |
74.5 |
1.1 |
0.752 |
2 |
0 |
0 |
0.000 |
95 |
|
M |
7 |
3 |
12518 |
◊ |
U |
x,y,z |
1_555 |
9 |
4 |
12860 |
71.5 |
1.0 |
0.722 |
1 |
0 |
0 |
0.000 |
| Average: |
73.0 |
1.1 |
0.737 |
2 |
0 |
0 |
0.000 |
| 53 |
96 |
|
U |
5 |
2 |
12860 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
10 |
4 |
12472 |
49.4 |
-0.1 |
0.601 |
0 |
0 |
0 |
0.000 |
| 54 |
97 |
|
E |
6 |
2 |
12102 |
◊ |
A |
x,y,z |
1_555 |
6 |
1 |
13368 |
47.2 |
-0.6 |
0.380 |
0 |
0 |
0 |
0.009 |
98 |
|
S |
6 |
2 |
12146 |
◊ |
O |
x,y,z |
1_555 |
6 |
1 |
13352 |
46.5 |
-0.6 |
0.373 |
0 |
0 |
0 |
0.009 |
| Average: |
46.8 |
-0.6 |
0.376 |
0 |
0 |
0 |
0.009 |
| 55 |
99 |
|
H |
5 |
2 |
13205 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
13178 |
37.8 |
-0.1 |
0.590 |
0 |
0 |
0 |
0.000 |
100 |
|
V |
5 |
2 |
13206 |
◊ |
P |
x,y,z |
1_555 |
8 |
3 |
13149 |
36.6 |
-0.2 |
0.553 |
0 |
0 |
0 |
0.000 |
| Average: |
37.2 |
-0.1 |
0.572 |
0 |
0 |
0 |
0.001 |
| 56 |
101 |
|
D |
4 |
2 |
12949 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
13368 |
30.6 |
1.0 |
0.795 |
1 |
0 |
0 |
0.000 |
102 |
|
R |
5 |
2 |
12965 |
◊ |
O |
x,y,z |
1_555 |
3 |
1 |
13352 |
30.5 |
1.0 |
0.796 |
1 |
0 |
0 |
0.000 |
| Average: |
30.6 |
1.0 |
0.796 |
1 |
0 |
0 |
0.000 |
| 57 |
103 |
|
S |
1 |
1 |
12146 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
13209 |
8.9 |
0.0 |
0.442 |
0 |
0 |
0 |
0.000 |
| 58 |
104 |
|
[049]K:213 |
1 |
1 |
440 |
◊ |
L |
x,y,z |
1_555 |
1 |
1 |
11950 |
4.0 |
0.2 |
0.598 |
0 |
0 |
0 |
0.000 |
105 |
|
[049]Y:213 |
1 |
1 |
437 |
◊ |
Z |
x,y,z |
1_555 |
1 |
1 |
11956 |
2.3 |
0.1 |
0.606 |
0 |
0 |
0 |
0.000 |
| Average: |
3.1 |
0.1 |
0.602 |
0 |
0 |
0 |
0.000 |
| 59 |
106 |
|
Q |
1 |
1 |
13215 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
1 |
1 |
12949 |
1.2 |
-0.0 |
0.601 |
0 |
0 |
0 |
0.000 |
|