## |
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 |
178 |
51 |
9924 |
◊ |
H |
x,y,z |
1_555 |
161 |
41 |
13739 |
1604.5 |
-15.3 |
0.225 |
26 |
17 |
0 |
0.817 |
2 |
|
W |
182 |
52 |
9916 |
◊ |
V |
x,y,z |
1_555 |
156 |
41 |
13716 |
1596.0 |
-15.3 |
0.217 |
27 |
17 |
0 |
0.817 |
Average: |
1600.2 |
-15.3 |
0.221 |
27 |
17 |
0 |
0.817 |
2 |
3 |
|
C |
147 |
36 |
12856 |
◊ |
B |
x,y,z |
1_555 |
180 |
42 |
12773 |
1549.9 |
-10.4 |
0.244 |
21 |
3 |
0 |
0.503 |
4 |
|
Q |
147 |
34 |
12868 |
◊ |
P |
x,y,z |
1_555 |
179 |
42 |
12747 |
1511.9 |
-10.4 |
0.241 |
19 |
3 |
0 |
0.503 |
Average: |
1530.9 |
-10.4 |
0.242 |
20 |
3 |
0 |
0.503 |
3 |
5 |
|
L |
158 |
38 |
11993 |
◊ |
V |
x,y,z |
1_555 |
137 |
35 |
13716 |
1429.6 |
-7.3 |
0.439 |
16 |
4 |
0 |
0.612 |
6 |
|
Z |
157 |
37 |
11992 |
◊ |
H |
x,y,z |
1_555 |
136 |
35 |
13739 |
1428.8 |
-7.4 |
0.446 |
16 |
4 |
0 |
0.612 |
Average: |
1429.2 |
-7.3 |
0.443 |
16 |
4 |
0 |
0.612 |
4 |
7 |
|
U |
156 |
42 |
12804 |
◊ |
O |
x,y,z |
1_555 |
141 |
38 |
13353 |
1405.5 |
-17.5 |
0.081 |
13 |
2 |
0 |
0.286 |
8 |
|
G |
159 |
42 |
12811 |
◊ |
A |
x,y,z |
1_555 |
141 |
39 |
13349 |
1378.6 |
-16.9 |
0.093 |
13 |
2 |
0 |
0.286 |
Average: |
1392.1 |
-17.2 |
0.087 |
13 |
2 |
0 |
0.286 |
5 |
9 |
|
G |
138 |
32 |
12811 |
◊ |
F |
x,y,z |
1_555 |
158 |
39 |
12407 |
1372.0 |
-13.7 |
0.140 |
20 |
3 |
0 |
0.440 |
10 |
|
U |
139 |
32 |
12804 |
◊ |
T |
x,y,z |
1_555 |
159 |
40 |
12400 |
1359.1 |
-13.7 |
0.140 |
18 |
3 |
0 |
0.440 |
Average: |
1365.6 |
-13.7 |
0.140 |
19 |
3 |
0 |
0.440 |
6 |
11 |
|
P |
146 |
38 |
12747 |
◊ |
O |
x,y,z |
1_555 |
162 |
41 |
13353 |
1339.5 |
-16.3 |
0.111 |
14 |
1 |
0 |
0.528 |
12 |
|
B |
146 |
38 |
12773 |
◊ |
A |
x,y,z |
1_555 |
155 |
40 |
13349 |
1339.4 |
-16.2 |
0.112 |
14 |
1 |
0 |
0.528 |
Average: |
1339.5 |
-16.2 |
0.112 |
14 |
1 |
0 |
0.528 |
7 |
13 |
|
b |
141 |
40 |
9566 |
◊ |
M |
x,y,z |
1_555 |
135 |
29 |
12624 |
1339.0 |
-9.2 |
0.296 |
24 |
3 |
0 |
1.000 |
14 |
|
N |
144 |
40 |
9568 |
◊ |
a |
x,y,z |
1_555 |
135 |
29 |
12624 |
1333.9 |
-9.1 |
0.302 |
24 |
3 |
0 |
1.000 |
Average: |
1336.5 |
-9.2 |
0.299 |
24 |
3 |
0 |
1.000 |
8 |
15 |
|
T |
144 |
33 |
12400 |
◊ |
S |
x,y,z |
1_555 |
146 |
39 |
11794 |
1321.6 |
-12.7 |
0.139 |
17 |
4 |
0 |
1.000 |
16 |
|
F |
145 |
33 |
12407 |
◊ |
E |
x,y,z |
1_555 |
146 |
39 |
11814 |
1319.3 |
-12.8 |
0.138 |
17 |
4 |
0 |
1.000 |
Average: |
1320.4 |
-12.8 |
0.138 |
17 |
4 |
0 |
1.000 |
9 |
17 |
|
D |
127 |
34 |
12209 |
◊ |
C |
x,y,z |
1_555 |
139 |
35 |
12856 |
1269.5 |
-11.8 |
0.128 |
17 |
2 |
0 |
0.577 |
18 |
|
R |
125 |
34 |
12212 |
◊ |
Q |
x,y,z |
1_555 |
139 |
36 |
12868 |
1267.6 |
-11.8 |
0.125 |
17 |
2 |
0 |
0.577 |
Average: |
1268.6 |
-11.8 |
0.127 |
17 |
2 |
0 |
0.577 |
10 |
19 |
|
S |
107 |
30 |
11794 |
◊ |
R |
x,y,z |
1_555 |
113 |
34 |
12212 |
1021.0 |
-9.3 |
0.171 |
10 |
4 |
0 |
1.000 |
20 |
|
E |
104 |
30 |
11814 |
◊ |
D |
x,y,z |
1_555 |
116 |
34 |
12209 |
1000.2 |
-9.6 |
0.165 |
11 |
4 |
0 |
1.000 |
Average: |
1010.6 |
-9.4 |
0.168 |
11 |
4 |
0 |
1.000 |
11 |
21 |
|
K |
105 |
28 |
10340 |
◊ |
W |
x,y,z |
1_555 |
99 |
24 |
9916 |
952.0 |
-3.0 |
0.563 |
18 |
5 |
0 |
0.409 |
22 |
|
Y |
105 |
28 |
10337 |
◊ |
I |
x,y,z |
1_555 |
102 |
24 |
9924 |
941.2 |
-3.2 |
0.566 |
19 |
5 |
0 |
0.409 |
Average: |
946.6 |
-3.1 |
0.564 |
19 |
5 |
0 |
0.409 |
12 |
23 |
|
a |
94 |
28 |
12624 |
◊ |
Z |
x,y,z |
1_555 |
96 |
29 |
11992 |
934.5 |
0.7 |
0.685 |
15 |
9 |
0 |
0.162 |
24 |
|
M |
95 |
28 |
12624 |
◊ |
L |
x,y,z |
1_555 |
95 |
29 |
11993 |
933.3 |
0.7 |
0.684 |
15 |
9 |
0 |
0.162 |
Average: |
933.9 |
0.7 |
0.684 |
15 |
9 |
0 |
0.162 |
13 |
25 |
|
M |
86 |
24 |
12624 |
◊ |
V |
x,y,z |
1_555 |
99 |
27 |
13716 |
914.2 |
-11.1 |
0.159 |
5 |
1 |
0 |
0.297 |
26 |
|
a |
88 |
24 |
12624 |
◊ |
H |
x,y,z |
1_555 |
98 |
27 |
13739 |
910.4 |
-11.1 |
0.167 |
5 |
2 |
0 |
0.297 |
Average: |
912.3 |
-11.1 |
0.163 |
5 |
2 |
0 |
0.297 |
14 |
27 |
|
K |
84 |
20 |
10340 |
◊ |
X |
x,y,z |
1_555 |
83 |
19 |
10154 |
731.8 |
-5.7 |
0.284 |
6 |
9 |
0 |
0.138 |
28 |
|
Y |
83 |
20 |
10337 |
◊ |
J |
x,y,z |
1_555 |
80 |
19 |
10132 |
729.1 |
-3.6 |
0.394 |
6 |
9 |
0 |
0.138 |
Average: |
730.5 |
-4.6 |
0.339 |
6 |
9 |
0 |
0.138 |
15 |
29 |
|
X |
74 |
19 |
10154 |
◊ |
J |
x,y,z |
1_555 |
71 |
19 |
10132 |
698.1 |
-3.2 |
0.410 |
16 |
2 |
0 |
0.084 |
16 |
30 |
|
Z |
81 |
19 |
11992 |
◊ |
I |
x,y,z |
1_555 |
86 |
20 |
9924 |
668.2 |
-4.1 |
0.377 |
7 |
7 |
0 |
0.131 |
31 |
|
L |
79 |
19 |
11993 |
◊ |
W |
x,y,z |
1_555 |
84 |
20 |
9916 |
666.0 |
-4.0 |
0.376 |
7 |
7 |
0 |
0.131 |
Average: |
667.1 |
-4.1 |
0.376 |
7 |
7 |
0 |
0.131 |
17 |
32 |
|
L |
71 |
20 |
11993 |
◊ |
K |
x,y,z |
1_555 |
71 |
20 |
10340 |
661.8 |
-3.2 |
0.331 |
13 |
5 |
0 |
0.114 |
33 |
|
Z |
72 |
20 |
11992 |
◊ |
Y |
x,y,z |
1_555 |
71 |
21 |
10337 |
661.5 |
-3.1 |
0.334 |
13 |
5 |
0 |
0.114 |
Average: |
661.7 |
-3.1 |
0.333 |
13 |
5 |
0 |
0.114 |
18 |
34 |
|
V |
61 |
17 |
13716 |
◊ |
O |
x,y,z |
1_555 |
73 |
19 |
13353 |
659.7 |
-3.6 |
0.501 |
11 |
3 |
0 |
0.074 |
35 |
|
H |
62 |
17 |
13739 |
◊ |
A |
x,y,z |
1_555 |
75 |
20 |
13349 |
656.9 |
-3.7 |
0.501 |
11 |
3 |
0 |
0.074 |
Average: |
658.3 |
-3.7 |
0.501 |
11 |
3 |
0 |
0.074 |
19 |
36 |
|
K |
71 |
23 |
10340 |
◊ |
J |
x,y,z |
1_555 |
63 |
19 |
10132 |
651.4 |
-1.1 |
0.590 |
7 |
4 |
0 |
0.080 |
37 |
|
Y |
71 |
23 |
10337 |
◊ |
X |
x,y,z |
1_555 |
63 |
18 |
10154 |
649.9 |
-1.2 |
0.582 |
8 |
4 |
0 |
0.080 |
Average: |
650.6 |
-1.1 |
0.586 |
8 |
4 |
0 |
0.080 |
20 |
38 |
|
H |
63 |
15 |
13739 |
◊ |
G |
x,y,z |
1_555 |
69 |
18 |
12811 |
639.1 |
-0.3 |
0.612 |
11 |
13 |
0 |
0.059 |
39 |
|
V |
62 |
15 |
13716 |
◊ |
U |
x,y,z |
1_555 |
69 |
18 |
12804 |
632.7 |
-0.3 |
0.620 |
11 |
12 |
0 |
0.059 |
Average: |
635.9 |
-0.3 |
0.616 |
11 |
13 |
0 |
0.059 |
21 |
40 |
|
N |
72 |
16 |
9568 |
◊ |
b |
x,y,z |
1_555 |
69 |
16 |
9566 |
637.6 |
-4.2 |
0.346 |
12 |
4 |
0 |
0.055 |
22 |
41 |
|
N |
64 |
19 |
9568 |
◊ |
M |
x,y,z |
1_555 |
65 |
20 |
12624 |
628.9 |
-1.1 |
0.558 |
9 |
4 |
0 |
0.061 |
42 |
|
b |
64 |
19 |
9566 |
◊ |
a |
x,y,z |
1_555 |
68 |
20 |
12624 |
626.8 |
-1.0 |
0.564 |
9 |
4 |
0 |
0.061 |
Average: |
627.9 |
-1.0 |
0.561 |
9 |
4 |
0 |
0.061 |
23 |
43 |
|
a |
64 |
17 |
12624 |
◊ |
S |
x,y,z |
1_555 |
57 |
14 |
11794 |
587.5 |
-2.7 |
0.432 |
7 |
2 |
0 |
0.022 |
44 |
|
M |
63 |
17 |
12624 |
◊ |
E |
x,y,z |
1_555 |
55 |
14 |
11814 |
580.2 |
-2.6 |
0.434 |
7 |
2 |
0 |
0.022 |
Average: |
583.9 |
-2.7 |
0.433 |
7 |
2 |
0 |
0.022 |
24 |
45 |
|
J |
55 |
19 |
10132 |
◊ |
I |
x,y,z |
1_555 |
58 |
23 |
9924 |
557.6 |
-3.5 |
0.335 |
10 |
5 |
0 |
0.139 |
46 |
|
X |
54 |
19 |
10154 |
◊ |
W |
x,y,z |
1_555 |
58 |
23 |
9916 |
550.3 |
-3.6 |
0.331 |
10 |
5 |
0 |
0.139 |
Average: |
553.9 |
-3.6 |
0.333 |
10 |
5 |
0 |
0.139 |
25 |
47 |
|
X |
57 |
15 |
10154 |
◊ |
P |
x,y,z |
1_555 |
56 |
14 |
12747 |
541.0 |
-0.2 |
0.599 |
11 |
4 |
0 |
0.023 |
48 |
|
J |
57 |
15 |
10132 |
◊ |
B |
x,y,z |
1_555 |
54 |
13 |
12773 |
538.4 |
-0.4 |
0.590 |
11 |
4 |
0 |
0.023 |
Average: |
539.7 |
-0.3 |
0.595 |
11 |
4 |
0 |
0.023 |
26 |
49 |
|
I |
61 |
17 |
9924 |
◊ |
A |
x,y,z |
1_555 |
47 |
13 |
13349 |
534.6 |
-3.0 |
0.479 |
6 |
1 |
0 |
0.023 |
50 |
|
W |
59 |
17 |
9916 |
◊ |
O |
x,y,z |
1_555 |
45 |
13 |
13353 |
531.5 |
-3.1 |
0.454 |
6 |
1 |
0 |
0.023 |
Average: |
533.1 |
-3.1 |
0.467 |
6 |
1 |
0 |
0.023 |
27 |
51 |
|
Z |
59 |
16 |
11992 |
◊ |
R |
x,y,z |
1_555 |
55 |
13 |
12212 |
533.8 |
1.8 |
0.760 |
9 |
4 |
0 |
0.009 |
52 |
|
L |
57 |
15 |
11993 |
◊ |
D |
x,y,z |
1_555 |
54 |
13 |
12209 |
527.4 |
1.9 |
0.766 |
9 |
4 |
0 |
0.009 |
Average: |
530.6 |
1.8 |
0.763 |
9 |
4 |
0 |
0.009 |
28 |
53 |
|
W |
49 |
11 |
9916 |
◊ |
P |
x,y,z |
1_555 |
59 |
14 |
12747 |
489.0 |
-1.7 |
0.456 |
5 |
1 |
0 |
0.015 |
54 |
|
I |
48 |
11 |
9924 |
◊ |
B |
x,y,z |
1_555 |
55 |
13 |
12773 |
482.3 |
-1.7 |
0.446 |
4 |
1 |
0 |
0.015 |
Average: |
485.7 |
-1.7 |
0.451 |
5 |
1 |
0 |
0.015 |
29 |
55 |
|
b |
58 |
17 |
9566 |
◊ |
T |
x,y,z |
1_555 |
48 |
12 |
12400 |
487.1 |
-1.7 |
0.515 |
7 |
2 |
0 |
0.016 |
56 |
|
N |
58 |
16 |
9568 |
◊ |
F |
x,y,z |
1_555 |
48 |
12 |
12407 |
483.8 |
-1.7 |
0.511 |
6 |
2 |
0 |
0.016 |
Average: |
485.5 |
-1.7 |
0.513 |
7 |
2 |
0 |
0.016 |
30 |
57 |
|
b |
52 |
18 |
9566 |
◊ |
V |
x,y,z |
1_555 |
54 |
20 |
13716 |
483.7 |
-1.7 |
0.613 |
9 |
5 |
0 |
0.089 |
58 |
|
N |
51 |
18 |
9568 |
◊ |
H |
x,y,z |
1_555 |
54 |
20 |
13739 |
482.3 |
-1.6 |
0.616 |
10 |
5 |
0 |
0.089 |
Average: |
483.0 |
-1.6 |
0.615 |
10 |
5 |
0 |
0.089 |
31 |
59 |
|
N |
51 |
13 |
9568 |
◊ |
G |
x,y,z |
1_555 |
49 |
13 |
12811 |
459.7 |
-0.7 |
0.576 |
4 |
2 |
0 |
0.023 |
60 |
|
b |
53 |
13 |
9566 |
◊ |
U |
x,y,z |
1_555 |
49 |
13 |
12804 |
457.2 |
-0.7 |
0.580 |
4 |
2 |
0 |
0.023 |
Average: |
458.4 |
-0.7 |
0.578 |
4 |
2 |
0 |
0.023 |
32 |
61 |
|
M |
53 |
13 |
12624 |
◊ |
F |
x,y,z |
1_555 |
58 |
17 |
12407 |
456.5 |
0.3 |
0.702 |
7 |
7 |
0 |
0.014 |
62 |
|
a |
48 |
13 |
12624 |
◊ |
T |
x,y,z |
1_555 |
58 |
17 |
12400 |
452.9 |
0.2 |
0.691 |
8 |
7 |
0 |
0.014 |
Average: |
454.7 |
0.2 |
0.696 |
8 |
7 |
0 |
0.014 |
33 |
63 |
|
K |
38 |
10 |
10340 |
◊ |
D |
x,y,z |
1_555 |
45 |
12 |
12209 |
422.8 |
-2.5 |
0.432 |
4 |
7 |
0 |
0.021 |
64 |
|
Y |
36 |
9 |
10337 |
◊ |
R |
x,y,z |
1_555 |
45 |
12 |
12212 |
420.8 |
-2.6 |
0.417 |
4 |
7 |
0 |
0.021 |
Average: |
421.8 |
-2.5 |
0.425 |
4 |
7 |
0 |
0.021 |
34 |
65 |
|
P |
45 |
15 |
12747 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
56 |
14 |
12209 |
420.2 |
-2.3 |
0.445 |
3 |
0 |
0 |
0.000 |
35 |
66 |
|
J |
41 |
9 |
10132 |
◊ |
C |
x,y,z |
1_555 |
45 |
11 |
12856 |
405.1 |
-2.7 |
0.281 |
6 |
4 |
0 |
0.024 |
67 |
|
X |
40 |
9 |
10154 |
◊ |
Q |
x,y,z |
1_555 |
44 |
11 |
12868 |
402.0 |
-2.8 |
0.267 |
6 |
4 |
0 |
0.024 |
Average: |
403.6 |
-2.8 |
0.274 |
6 |
4 |
0 |
0.024 |
36 |
68 |
|
L |
33 |
7 |
11993 |
◊ |
E |
x,y,z |
1_555 |
45 |
12 |
11814 |
352.6 |
-0.0 |
0.545 |
4 |
2 |
0 |
0.008 |
69 |
|
Z |
32 |
7 |
11992 |
◊ |
S |
x,y,z |
1_555 |
46 |
12 |
11794 |
349.9 |
-0.1 |
0.531 |
4 |
2 |
0 |
0.008 |
Average: |
351.2 |
-0.0 |
0.538 |
4 |
2 |
0 |
0.008 |
37 |
70 |
|
K |
33 |
13 |
10340 |
◊ |
C |
x,y,z |
1_555 |
39 |
10 |
12856 |
332.2 |
2.0 |
0.786 |
7 |
8 |
0 |
0.008 |
71 |
|
Y |
35 |
13 |
10337 |
◊ |
Q |
x,y,z |
1_555 |
40 |
11 |
12868 |
327.1 |
2.0 |
0.784 |
6 |
8 |
0 |
0.008 |
Average: |
329.6 |
2.0 |
0.785 |
7 |
8 |
0 |
0.008 |
38 |
72 |
|
V |
24 |
4 |
13716 |
◊ |
P |
x,y,z |
1_555 |
37 |
11 |
12747 |
276.8 |
-3.1 |
0.330 |
0 |
0 |
0 |
0.011 |
73 |
|
H |
23 |
4 |
13739 |
◊ |
B |
x,y,z |
1_555 |
36 |
10 |
12773 |
273.1 |
-3.0 |
0.330 |
0 |
0 |
0 |
0.011 |
Average: |
275.0 |
-3.1 |
0.330 |
0 |
0 |
0 |
0.011 |
39 |
74 |
|
U |
39 |
12 |
12804 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
31 |
15 |
12811 |
273.0 |
1.7 |
0.751 |
2 |
0 |
0 |
0.000 |
40 |
75 |
|
U |
35 |
12 |
12804 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
36 |
13 |
13349 |
269.7 |
1.7 |
0.783 |
4 |
1 |
0 |
0.000 |
41 |
76 |
|
R |
37 |
11 |
12212 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
18 |
7 |
12773 |
228.7 |
-2.5 |
0.144 |
2 |
0 |
0 |
0.000 |
42 |
77 |
|
T |
23 |
7 |
12400 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
24 |
8 |
12407 |
163.2 |
0.8 |
0.726 |
1 |
1 |
0 |
0.000 |
43 |
78 |
|
T |
14 |
4 |
12400 |
◊ |
O |
x,y,z |
1_555 |
16 |
4 |
13353 |
145.8 |
-1.7 |
0.394 |
2 |
0 |
0 |
0.031 |
79 |
|
F |
14 |
4 |
12407 |
◊ |
A |
x,y,z |
1_555 |
16 |
4 |
13349 |
144.6 |
-1.6 |
0.403 |
2 |
0 |
0 |
0.031 |
Average: |
145.2 |
-1.6 |
0.398 |
2 |
0 |
0 |
0.031 |
44 |
80 |
|
U |
15 |
3 |
12804 |
◊ |
P |
x,y,z |
1_555 |
14 |
2 |
12747 |
130.5 |
-2.7 |
0.147 |
0 |
0 |
0 |
0.033 |
81 |
|
G |
15 |
3 |
12811 |
◊ |
B |
x,y,z |
1_555 |
13 |
2 |
12773 |
125.7 |
-2.7 |
0.143 |
0 |
0 |
0 |
0.033 |
Average: |
128.1 |
-2.7 |
0.145 |
0 |
0 |
0 |
0.033 |
45 |
82 |
|
F |
16 |
5 |
12407 |
◊ |
B |
x,y,z |
1_555 |
15 |
4 |
12773 |
130.2 |
-0.1 |
0.618 |
1 |
0 |
0 |
0.007 |
83 |
|
T |
16 |
5 |
12400 |
◊ |
P |
x,y,z |
1_555 |
15 |
4 |
12747 |
129.9 |
-0.1 |
0.618 |
1 |
0 |
0 |
0.007 |
Average: |
130.0 |
-0.1 |
0.618 |
1 |
0 |
0 |
0.007 |
46 |
84 |
|
E |
16 |
6 |
11814 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
12773 |
127.9 |
0.8 |
0.665 |
2 |
1 |
0 |
0.006 |
85 |
|
S |
16 |
6 |
11794 |
◊ |
P |
x,y,z |
1_555 |
11 |
4 |
12747 |
123.9 |
0.7 |
0.660 |
2 |
1 |
0 |
0.006 |
Average: |
125.9 |
0.7 |
0.663 |
2 |
1 |
0 |
0.006 |
47 |
86 |
|
R |
14 |
4 |
12212 |
◊ |
P |
x,y,z |
1_555 |
13 |
3 |
12747 |
118.2 |
0.7 |
0.709 |
1 |
2 |
0 |
0.007 |
87 |
|
D |
13 |
4 |
12209 |
◊ |
B |
x,y,z |
1_555 |
13 |
3 |
12773 |
117.2 |
0.5 |
0.683 |
1 |
2 |
0 |
0.007 |
Average: |
117.7 |
0.6 |
0.696 |
1 |
2 |
0 |
0.007 |
48 |
88 |
|
T |
12 |
4 |
12400 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
4 |
12811 |
97.6 |
-0.0 |
0.526 |
2 |
0 |
0 |
0.000 |
49 |
89 |
|
K |
11 |
3 |
10340 |
◊ |
V |
x,y,z |
1_555 |
5 |
2 |
13716 |
92.2 |
-1.4 |
0.285 |
0 |
0 |
0 |
0.009 |
90 |
|
Y |
11 |
3 |
10337 |
◊ |
H |
x,y,z |
1_555 |
5 |
2 |
13739 |
89.6 |
-1.5 |
0.276 |
0 |
0 |
0 |
0.009 |
Average: |
90.9 |
-1.4 |
0.281 |
0 |
0 |
0 |
0.009 |
50 |
91 |
|
Q |
15 |
4 |
12868 |
◊ |
O |
x,y,z |
1_555 |
9 |
3 |
13353 |
85.0 |
-1.0 |
0.418 |
0 |
0 |
0 |
0.024 |
92 |
|
C |
15 |
4 |
12856 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
13349 |
81.4 |
-1.0 |
0.410 |
0 |
0 |
0 |
0.024 |
Average: |
83.2 |
-1.0 |
0.414 |
0 |
0 |
0 |
0.024 |
51 |
93 |
|
a |
7 |
3 |
12624 |
◊ |
G |
x,y,z |
1_555 |
8 |
4 |
12811 |
75.0 |
1.2 |
0.743 |
0 |
0 |
0 |
0.000 |
94 |
|
M |
8 |
3 |
12624 |
◊ |
U |
x,y,z |
1_555 |
8 |
4 |
12804 |
74.4 |
1.1 |
0.738 |
0 |
0 |
0 |
0.000 |
Average: |
74.7 |
1.2 |
0.741 |
0 |
0 |
0 |
0.000 |
52 |
95 |
|
T |
7 |
2 |
12400 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
8 |
4 |
11814 |
67.1 |
-0.2 |
0.502 |
0 |
0 |
0 |
0.000 |
53 |
96 |
|
E |
6 |
2 |
11814 |
◊ |
A |
x,y,z |
1_555 |
6 |
1 |
13349 |
61.3 |
-0.1 |
0.445 |
1 |
0 |
0 |
0.006 |
97 |
|
S |
5 |
2 |
11794 |
◊ |
O |
x,y,z |
1_555 |
6 |
1 |
13353 |
60.7 |
-0.2 |
0.409 |
1 |
0 |
0 |
0.006 |
Average: |
61.0 |
-0.2 |
0.427 |
1 |
0 |
0 |
0.006 |
54 |
98 |
|
[MG]J:201 |
1 |
1 |
98 |
f |
J |
x,y,z |
1_555 |
13 |
5 |
10132 |
57.4 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.100 |
55 |
99 |
|
[CL]U:301 |
1 |
1 |
125 |
f |
U |
x,y,z |
1_555 |
7 |
2 |
12804 |
56.3 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.145 |
100 |
|
[CL]G:302 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
6 |
2 |
12811 |
56.1 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.145 |
Average: |
56.2 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.145 |
56 |
101 |
|
U |
5 |
2 |
12804 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
4 |
12407 |
53.4 |
0.5 |
0.711 |
0 |
0 |
0 |
0.000 |
57 |
102 |
|
[MG]Z:301 |
1 |
1 |
98 |
f |
Z |
x,y,z |
1_555 |
9 |
6 |
11992 |
50.6 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.290 |
58 |
103 |
|
[MG]I:301 |
1 |
1 |
98 |
f |
I |
x,y,z |
1_555 |
12 |
6 |
9924 |
50.6 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.229 |
59 |
104 |
|
[MG]G:301 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
5 |
4 |
12811 |
50.4 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.159 |
60 |
105 |
|
[MG]K:302 |
1 |
1 |
98 |
f |
K |
x,y,z |
1_555 |
12 |
5 |
10340 |
49.8 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.255 |
61 |
106 |
|
[MG]N:201 |
1 |
1 |
98 |
f |
N |
x,y,z |
1_555 |
10 |
7 |
9568 |
48.9 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.235 |
62 |
107 |
|
[MG]Y:301 |
1 |
1 |
98 |
f |
Y |
x,y,z |
1_555 |
8 |
6 |
10337 |
41.8 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.229 |
108 |
|
[MG]K:301 |
1 |
1 |
98 |
f |
K |
x,y,z |
1_555 |
8 |
6 |
10340 |
41.4 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.229 |
Average: |
41.6 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.229 |
63 |
109 |
|
[MG]V:301 |
1 |
1 |
98 |
f |
V |
x,y,z |
1_555 |
9 |
6 |
13716 |
40.8 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.272 |
64 |
110 |
|
[MG]N:202 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
7 |
3 |
13739 |
37.3 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.141 |
65 |
111 |
|
[CL]U:301 |
1 |
1 |
125 |
◊ |
V |
x,y,z |
1_555 |
3 |
1 |
13716 |
34.7 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.031 |
112 |
|
[CL]G:302 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
13739 |
34.6 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.031 |
Average: |
34.6 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.031 |
66 |
113 |
|
[MG]N:202 |
1 |
1 |
98 |
◊ |
N |
x,y,z |
1_555 |
5 |
3 |
9568 |
33.9 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.042 |
67 |
114 |
|
[MG]V:301 |
1 |
1 |
98 |
◊ |
L |
x,y,z |
1_555 |
5 |
2 |
11993 |
28.4 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.116 |
68 |
115 |
|
[MG]K:301 |
1 |
1 |
98 |
◊ |
W |
x,y,z |
1_555 |
5 |
2 |
9916 |
27.8 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.107 |
116 |
|
[MG]Y:301 |
1 |
1 |
98 |
◊ |
I |
x,y,z |
1_555 |
5 |
2 |
9924 |
27.4 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.107 |
Average: |
27.6 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.107 |
69 |
117 |
|
R |
4 |
1 |
12212 |
◊ |
O |
x,y,z |
1_555 |
2 |
1 |
13353 |
25.5 |
0.3 |
0.698 |
1 |
0 |
0 |
0.003 |
118 |
|
D |
4 |
1 |
12209 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
13349 |
23.7 |
0.3 |
0.717 |
1 |
0 |
0 |
0.003 |
Average: |
24.6 |
0.3 |
0.708 |
1 |
0 |
0 |
0.003 |
70 |
119 |
|
[MG]N:201 |
1 |
1 |
98 |
◊ |
a |
x,y,z |
1_555 |
2 |
2 |
12624 |
24.1 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.095 |
71 |
120 |
|
[MG]I:301 |
1 |
1 |
98 |
◊ |
Y |
x,y,z |
1_555 |
5 |
3 |
10337 |
21.7 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.072 |
72 |
121 |
|
[MG]Z:301 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
13739 |
14.2 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.037 |
73 |
122 |
|
[MG]J:201 |
1 |
1 |
98 |
◊ |
I |
x,y,z |
1_555 |
3 |
2 |
9924 |
14.1 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.013 |
74 |
123 |
|
[CL]G:302 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
13349 |
9.4 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.010 |
124 |
|
[CL]U:301 |
1 |
1 |
125 |
◊ |
O |
x,y,z |
1_555 |
3 |
1 |
13353 |
8.4 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.010 |
Average: |
8.9 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.010 |
75 |
125 |
|
S |
2 |
1 |
11794 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
12856 |
3.9 |
0.1 |
0.686 |
0 |
0 |
0 |
0.000 |
|