| ## |
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 |
|
W |
170 |
48 |
10079 |
◊ |
V |
x,y,z |
1_555 |
155 |
42 |
13099 |
1576.9 |
-13.3 |
0.268 |
28 |
16 |
0 |
0.202 |
2 |
|
I |
172 |
51 |
10059 |
◊ |
H |
x,y,z |
1_555 |
156 |
42 |
13113 |
1567.9 |
-13.0 |
0.289 |
27 |
16 |
0 |
0.202 |
| Average: |
1572.4 |
-13.1 |
0.278 |
28 |
16 |
0 |
0.202 |
| 2 |
3 |
|
C |
146 |
35 |
13047 |
◊ |
B |
x,y,z |
1_555 |
176 |
41 |
12858 |
1528.1 |
-11.1 |
0.216 |
20 |
3 |
0 |
0.519 |
4 |
|
Q |
147 |
32 |
13041 |
◊ |
P |
x,y,z |
1_555 |
172 |
41 |
12823 |
1498.5 |
-11.1 |
0.213 |
22 |
3 |
0 |
0.519 |
| Average: |
1513.3 |
-11.1 |
0.214 |
21 |
3 |
0 |
0.519 |
| 3 |
5 |
|
U |
150 |
38 |
12779 |
◊ |
O |
x,y,z |
1_555 |
142 |
38 |
13434 |
1399.8 |
-16.7 |
0.106 |
14 |
2 |
0 |
0.409 |
6 |
|
G |
154 |
40 |
12796 |
◊ |
A |
x,y,z |
1_555 |
145 |
39 |
13440 |
1392.0 |
-16.7 |
0.111 |
13 |
2 |
0 |
0.409 |
| Average: |
1395.9 |
-16.7 |
0.109 |
14 |
2 |
0 |
0.409 |
| 4 |
7 |
|
Z |
157 |
38 |
11791 |
◊ |
H |
x,y,z |
1_555 |
135 |
35 |
13113 |
1399.1 |
-6.9 |
0.470 |
18 |
4 |
0 |
0.118 |
8 |
|
L |
152 |
38 |
11809 |
◊ |
V |
x,y,z |
1_555 |
133 |
35 |
13099 |
1380.4 |
-6.0 |
0.491 |
17 |
4 |
0 |
0.118 |
| Average: |
1389.7 |
-6.5 |
0.480 |
18 |
4 |
0 |
0.118 |
| 5 |
9 |
|
P |
148 |
38 |
12823 |
◊ |
O |
x,y,z |
1_555 |
163 |
42 |
13434 |
1358.2 |
-16.1 |
0.134 |
14 |
1 |
0 |
0.501 |
10 |
|
B |
144 |
38 |
12858 |
◊ |
A |
x,y,z |
1_555 |
154 |
39 |
13440 |
1352.9 |
-16.1 |
0.122 |
13 |
1 |
0 |
0.501 |
| Average: |
1355.6 |
-16.1 |
0.128 |
14 |
1 |
0 |
0.501 |
| 6 |
11 |
|
U |
140 |
32 |
12779 |
◊ |
T |
x,y,z |
1_555 |
154 |
39 |
12421 |
1357.4 |
-13.3 |
0.159 |
17 |
4 |
0 |
0.435 |
12 |
|
G |
139 |
32 |
12796 |
◊ |
F |
x,y,z |
1_555 |
154 |
39 |
12418 |
1350.9 |
-13.1 |
0.168 |
19 |
3 |
0 |
0.435 |
| Average: |
1354.1 |
-13.2 |
0.164 |
18 |
4 |
0 |
0.435 |
| 7 |
13 |
|
T |
146 |
34 |
12421 |
◊ |
S |
x,y,z |
1_555 |
145 |
39 |
11742 |
1348.1 |
-12.5 |
0.155 |
17 |
4 |
0 |
1.000 |
14 |
|
F |
146 |
34 |
12418 |
◊ |
E |
x,y,z |
1_555 |
146 |
39 |
11750 |
1342.2 |
-12.1 |
0.167 |
16 |
4 |
0 |
1.000 |
| Average: |
1345.1 |
-12.3 |
0.161 |
17 |
4 |
0 |
1.000 |
| 8 |
15 |
|
b |
146 |
39 |
9547 |
◊ |
M |
x,y,z |
1_555 |
134 |
29 |
12491 |
1322.9 |
-8.4 |
0.363 |
22 |
3 |
0 |
1.000 |
16 |
|
N |
140 |
39 |
9553 |
◊ |
a |
x,y,z |
1_555 |
133 |
29 |
12498 |
1315.4 |
-8.2 |
0.364 |
23 |
3 |
0 |
1.000 |
| Average: |
1319.2 |
-8.3 |
0.364 |
23 |
3 |
0 |
1.000 |
| 9 |
17 |
|
D |
130 |
34 |
12259 |
◊ |
C |
x,y,z |
1_555 |
141 |
38 |
13047 |
1271.1 |
-11.8 |
0.144 |
17 |
3 |
0 |
0.539 |
18 |
|
R |
129 |
34 |
12257 |
◊ |
Q |
x,y,z |
1_555 |
140 |
38 |
13041 |
1267.5 |
-11.9 |
0.137 |
17 |
3 |
0 |
0.539 |
| Average: |
1269.3 |
-11.8 |
0.141 |
17 |
3 |
0 |
0.539 |
| 10 |
19 |
|
S |
110 |
31 |
11742 |
◊ |
R |
x,y,z |
1_555 |
111 |
31 |
12257 |
1038.2 |
-11.0 |
0.117 |
12 |
4 |
0 |
1.000 |
20 |
|
E |
108 |
30 |
11750 |
◊ |
D |
x,y,z |
1_555 |
113 |
33 |
12259 |
1026.7 |
-11.0 |
0.122 |
12 |
4 |
0 |
1.000 |
| Average: |
1032.4 |
-11.0 |
0.119 |
12 |
4 |
0 |
1.000 |
| 11 |
21 |
|
K |
110 |
28 |
10281 |
◊ |
W |
x,y,z |
1_555 |
107 |
25 |
10079 |
977.3 |
-5.0 |
0.449 |
18 |
4 |
0 |
0.437 |
22 |
|
Y |
109 |
28 |
10302 |
◊ |
I |
x,y,z |
1_555 |
103 |
24 |
10059 |
959.1 |
-5.1 |
0.453 |
18 |
4 |
0 |
0.437 |
| Average: |
968.2 |
-5.0 |
0.451 |
18 |
4 |
0 |
0.437 |
| 12 |
23 |
|
M |
95 |
29 |
12491 |
◊ |
L |
x,y,z |
1_555 |
97 |
30 |
11809 |
952.6 |
-1.0 |
0.628 |
14 |
9 |
0 |
0.068 |
24 |
|
a |
94 |
28 |
12498 |
◊ |
Z |
x,y,z |
1_555 |
98 |
29 |
11791 |
942.2 |
-0.9 |
0.644 |
15 |
9 |
0 |
0.068 |
| Average: |
947.4 |
-0.9 |
0.636 |
15 |
9 |
0 |
0.068 |
| 13 |
25 |
|
a |
84 |
22 |
12498 |
◊ |
H |
x,y,z |
1_555 |
91 |
26 |
13113 |
886.7 |
-11.6 |
0.126 |
4 |
1 |
0 |
0.122 |
26 |
|
M |
83 |
21 |
12491 |
◊ |
V |
x,y,z |
1_555 |
92 |
26 |
13099 |
872.3 |
-11.5 |
0.129 |
4 |
2 |
0 |
0.122 |
| Average: |
879.5 |
-11.5 |
0.128 |
4 |
2 |
0 |
0.122 |
| 14 |
27 |
|
K |
89 |
23 |
10281 |
◊ |
X |
x,y,z |
1_555 |
85 |
19 |
10161 |
760.7 |
-2.6 |
0.464 |
8 |
10 |
0 |
0.157 |
28 |
|
Y |
91 |
23 |
10302 |
◊ |
J |
x,y,z |
1_555 |
83 |
18 |
10162 |
754.0 |
-2.5 |
0.470 |
9 |
9 |
0 |
0.157 |
| Average: |
757.3 |
-2.6 |
0.467 |
9 |
10 |
0 |
0.157 |
| 15 |
29 |
|
L |
88 |
22 |
11809 |
◊ |
W |
x,y,z |
1_555 |
86 |
20 |
10079 |
705.9 |
-3.2 |
0.438 |
7 |
6 |
0 |
0.046 |
30 |
|
Z |
87 |
22 |
11791 |
◊ |
I |
x,y,z |
1_555 |
89 |
20 |
10059 |
704.6 |
-3.3 |
0.438 |
7 |
6 |
0 |
0.046 |
| Average: |
705.3 |
-3.2 |
0.438 |
7 |
6 |
0 |
0.046 |
| 16 |
31 |
|
X |
75 |
19 |
10161 |
◊ |
J |
x,y,z |
1_555 |
78 |
19 |
10162 |
691.8 |
-2.4 |
0.419 |
12 |
0 |
0 |
0.012 |
| 17 |
32 |
|
Z |
74 |
23 |
11791 |
◊ |
Y |
x,y,z |
1_555 |
76 |
23 |
10302 |
674.9 |
-2.1 |
0.402 |
15 |
6 |
0 |
0.047 |
33 |
|
L |
76 |
24 |
11809 |
◊ |
K |
x,y,z |
1_555 |
72 |
23 |
10281 |
665.6 |
-2.1 |
0.385 |
15 |
5 |
0 |
0.047 |
| Average: |
670.3 |
-2.1 |
0.394 |
15 |
6 |
0 |
0.047 |
| 18 |
34 |
|
H |
59 |
17 |
13113 |
◊ |
A |
x,y,z |
1_555 |
78 |
21 |
13440 |
669.5 |
-4.7 |
0.456 |
10 |
4 |
0 |
0.039 |
35 |
|
V |
58 |
17 |
13099 |
◊ |
O |
x,y,z |
1_555 |
75 |
21 |
13434 |
652.9 |
-4.7 |
0.448 |
10 |
3 |
0 |
0.039 |
| Average: |
661.2 |
-4.7 |
0.452 |
10 |
4 |
0 |
0.039 |
| 19 |
36 |
|
H |
64 |
15 |
13113 |
◊ |
G |
x,y,z |
1_555 |
70 |
18 |
12796 |
638.1 |
-0.3 |
0.628 |
10 |
12 |
0 |
0.019 |
37 |
|
V |
65 |
15 |
13099 |
◊ |
U |
x,y,z |
1_555 |
70 |
18 |
12779 |
637.4 |
-0.6 |
0.615 |
11 |
11 |
0 |
0.019 |
| Average: |
637.7 |
-0.5 |
0.622 |
11 |
12 |
0 |
0.019 |
| 20 |
38 |
|
N |
68 |
15 |
9553 |
◊ |
b |
x,y,z |
1_555 |
71 |
16 |
9547 |
629.7 |
-4.3 |
0.348 |
8 |
4 |
0 |
0.013 |
| 21 |
39 |
|
K |
71 |
23 |
10281 |
◊ |
J |
x,y,z |
1_555 |
60 |
18 |
10162 |
604.6 |
-1.9 |
0.510 |
7 |
3 |
0 |
0.016 |
40 |
|
Y |
70 |
23 |
10302 |
◊ |
X |
x,y,z |
1_555 |
58 |
18 |
10161 |
603.4 |
-1.8 |
0.508 |
6 |
3 |
0 |
0.016 |
| Average: |
604.0 |
-1.8 |
0.509 |
7 |
3 |
0 |
0.016 |
| 22 |
41 |
|
M |
67 |
18 |
12491 |
◊ |
E |
x,y,z |
1_555 |
58 |
14 |
11750 |
600.0 |
-2.4 |
0.482 |
7 |
3 |
0 |
0.000 |
42 |
|
a |
66 |
18 |
12498 |
◊ |
S |
x,y,z |
1_555 |
56 |
13 |
11742 |
579.0 |
-2.3 |
0.486 |
8 |
3 |
0 |
0.000 |
| Average: |
589.5 |
-2.3 |
0.484 |
8 |
3 |
0 |
0.000 |
| 23 |
43 |
|
N |
62 |
19 |
9553 |
◊ |
M |
x,y,z |
1_555 |
64 |
20 |
12491 |
591.3 |
-1.9 |
0.525 |
7 |
2 |
0 |
0.017 |
44 |
|
b |
62 |
19 |
9547 |
◊ |
a |
x,y,z |
1_555 |
64 |
20 |
12498 |
590.1 |
-1.9 |
0.522 |
7 |
1 |
0 |
0.017 |
| Average: |
590.7 |
-1.9 |
0.523 |
7 |
2 |
0 |
0.017 |
| 24 |
45 |
|
J |
66 |
23 |
10162 |
◊ |
I |
x,y,z |
1_555 |
62 |
25 |
10059 |
587.1 |
-4.8 |
0.245 |
10 |
4 |
0 |
0.199 |
46 |
|
X |
66 |
23 |
10161 |
◊ |
W |
x,y,z |
1_555 |
62 |
25 |
10079 |
586.4 |
-4.8 |
0.248 |
10 |
3 |
0 |
0.199 |
| Average: |
586.8 |
-4.8 |
0.247 |
10 |
4 |
0 |
0.199 |
| 25 |
47 |
|
X |
58 |
15 |
10161 |
◊ |
P |
x,y,z |
1_555 |
54 |
12 |
12823 |
529.7 |
0.7 |
0.669 |
12 |
5 |
0 |
0.000 |
48 |
|
J |
57 |
15 |
10162 |
◊ |
B |
x,y,z |
1_555 |
55 |
12 |
12858 |
519.3 |
0.7 |
0.669 |
12 |
4 |
0 |
0.000 |
| Average: |
524.5 |
0.7 |
0.669 |
12 |
5 |
0 |
0.000 |
| 26 |
49 |
|
W |
59 |
16 |
10079 |
◊ |
O |
x,y,z |
1_555 |
45 |
13 |
13434 |
527.1 |
-1.9 |
0.552 |
7 |
1 |
0 |
0.021 |
50 |
|
I |
57 |
16 |
10059 |
◊ |
A |
x,y,z |
1_555 |
45 |
13 |
13440 |
519.4 |
-2.0 |
0.536 |
7 |
1 |
0 |
0.021 |
| Average: |
523.2 |
-1.9 |
0.544 |
7 |
1 |
0 |
0.021 |
| 27 |
51 |
|
L |
56 |
15 |
11809 |
◊ |
D |
x,y,z |
1_555 |
54 |
14 |
12259 |
525.2 |
1.8 |
0.765 |
9 |
4 |
0 |
0.000 |
52 |
|
Z |
55 |
15 |
11791 |
◊ |
R |
x,y,z |
1_555 |
55 |
15 |
12257 |
510.9 |
1.8 |
0.768 |
9 |
3 |
0 |
0.000 |
| Average: |
518.1 |
1.8 |
0.766 |
9 |
4 |
0 |
0.000 |
| 28 |
53 |
|
a |
52 |
12 |
12498 |
◊ |
T |
x,y,z |
1_555 |
61 |
18 |
12421 |
484.0 |
-0.4 |
0.652 |
7 |
6 |
0 |
0.000 |
54 |
|
M |
49 |
12 |
12491 |
◊ |
F |
x,y,z |
1_555 |
58 |
17 |
12418 |
459.2 |
-0.2 |
0.662 |
7 |
6 |
0 |
0.000 |
| Average: |
471.6 |
-0.3 |
0.657 |
7 |
6 |
0 |
0.000 |
| 29 |
55 |
|
I |
47 |
11 |
10059 |
◊ |
B |
x,y,z |
1_555 |
58 |
13 |
12858 |
481.3 |
-2.1 |
0.413 |
4 |
0 |
0 |
0.000 |
56 |
|
W |
48 |
11 |
10079 |
◊ |
P |
x,y,z |
1_555 |
55 |
13 |
12823 |
470.8 |
-1.9 |
0.439 |
4 |
0 |
0 |
0.000 |
| Average: |
476.0 |
-2.0 |
0.426 |
4 |
0 |
0 |
0.000 |
| 30 |
57 |
|
b |
52 |
15 |
9547 |
◊ |
T |
x,y,z |
1_555 |
47 |
11 |
12421 |
461.1 |
-1.8 |
0.494 |
5 |
1 |
0 |
0.000 |
58 |
|
N |
55 |
16 |
9553 |
◊ |
F |
x,y,z |
1_555 |
46 |
11 |
12418 |
458.5 |
-1.8 |
0.497 |
5 |
1 |
0 |
0.000 |
| Average: |
459.8 |
-1.8 |
0.495 |
5 |
1 |
0 |
0.000 |
| 31 |
59 |
|
P |
47 |
15 |
12823 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
54 |
14 |
12259 |
450.5 |
-1.9 |
0.503 |
5 |
1 |
0 |
0.000 |
| 32 |
60 |
|
b |
46 |
15 |
9547 |
◊ |
V |
x,y,z |
1_555 |
53 |
19 |
13099 |
443.3 |
-1.4 |
0.611 |
8 |
5 |
0 |
0.035 |
61 |
|
N |
47 |
15 |
9553 |
◊ |
H |
x,y,z |
1_555 |
53 |
20 |
13113 |
433.4 |
-1.4 |
0.618 |
8 |
5 |
0 |
0.035 |
| Average: |
438.3 |
-1.4 |
0.615 |
8 |
5 |
0 |
0.035 |
| 33 |
62 |
|
N |
51 |
13 |
9553 |
◊ |
G |
x,y,z |
1_555 |
48 |
13 |
12796 |
421.6 |
-1.9 |
0.487 |
2 |
2 |
0 |
0.009 |
63 |
|
b |
51 |
13 |
9547 |
◊ |
U |
x,y,z |
1_555 |
48 |
13 |
12779 |
415.5 |
-2.0 |
0.478 |
2 |
1 |
0 |
0.009 |
| Average: |
418.5 |
-2.0 |
0.483 |
2 |
2 |
0 |
0.009 |
| 34 |
64 |
|
Y |
35 |
10 |
10302 |
◊ |
R |
x,y,z |
1_555 |
50 |
15 |
12257 |
419.2 |
-3.0 |
0.387 |
3 |
7 |
0 |
0.000 |
65 |
|
K |
35 |
9 |
10281 |
◊ |
D |
x,y,z |
1_555 |
47 |
13 |
12259 |
414.1 |
-3.1 |
0.374 |
5 |
7 |
0 |
0.000 |
| Average: |
416.7 |
-3.1 |
0.380 |
4 |
7 |
0 |
0.000 |
| 35 |
66 |
|
J |
42 |
10 |
10162 |
◊ |
C |
x,y,z |
1_555 |
47 |
11 |
13047 |
401.9 |
-2.7 |
0.258 |
5 |
4 |
0 |
0.000 |
67 |
|
X |
43 |
10 |
10161 |
◊ |
Q |
x,y,z |
1_555 |
45 |
11 |
13041 |
395.7 |
-2.9 |
0.255 |
4 |
4 |
0 |
0.000 |
| Average: |
398.8 |
-2.8 |
0.256 |
5 |
4 |
0 |
0.000 |
| 36 |
68 |
|
Z |
33 |
8 |
11791 |
◊ |
S |
x,y,z |
1_555 |
47 |
13 |
11742 |
371.1 |
-0.1 |
0.549 |
4 |
2 |
0 |
0.000 |
69 |
|
L |
30 |
8 |
11809 |
◊ |
E |
x,y,z |
1_555 |
46 |
13 |
11750 |
358.5 |
0.0 |
0.550 |
5 |
2 |
0 |
0.000 |
| Average: |
364.8 |
-0.0 |
0.550 |
5 |
2 |
0 |
0.000 |
| 37 |
70 |
|
K |
35 |
13 |
10281 |
◊ |
C |
x,y,z |
1_555 |
39 |
11 |
13047 |
328.9 |
2.8 |
0.837 |
6 |
8 |
0 |
0.000 |
71 |
|
Y |
31 |
13 |
10302 |
◊ |
Q |
x,y,z |
1_555 |
38 |
10 |
13041 |
317.6 |
2.7 |
0.834 |
5 |
8 |
0 |
0.000 |
| Average: |
323.3 |
2.8 |
0.835 |
6 |
8 |
0 |
0.000 |
| 38 |
72 |
|
T |
40 |
12 |
12421 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
36 |
14 |
12418 |
300.7 |
3.0 |
0.863 |
2 |
2 |
0 |
0.000 |
| 39 |
73 |
|
U |
36 |
13 |
12779 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
32 |
12 |
13440 |
294.8 |
2.9 |
0.874 |
6 |
3 |
0 |
0.000 |
| 40 |
74 |
|
U |
37 |
11 |
12779 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
32 |
16 |
12796 |
272.0 |
0.5 |
0.652 |
0 |
0 |
0 |
0.000 |
| 41 |
75 |
|
R |
39 |
13 |
12257 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
19 |
8 |
12858 |
250.1 |
-1.4 |
0.318 |
4 |
2 |
0 |
0.000 |
| 42 |
76 |
|
[MES]K:302 |
12 |
1 |
337 |
◊ |
K |
x,y,z |
1_555 |
29 |
14 |
10281 |
177.8 |
5.0 |
0.216 |
0 |
0 |
0 |
0.000 |
77 |
|
[MES]Y:301 |
12 |
1 |
339 |
◊ |
Y |
x,y,z |
1_555 |
30 |
14 |
10302 |
176.2 |
4.9 |
0.214 |
0 |
0 |
0 |
0.000 |
| Average: |
177.0 |
5.0 |
0.215 |
0 |
0 |
0 |
0.000 |
| 43 |
78 |
|
h |
13 |
2 |
397 |
◊ |
b |
x,y,z |
1_555 |
24 |
10 |
9547 |
175.3 |
-2.2 |
0.572 |
3 |
0 |
0 |
0.000 |
| 44 |
79 |
|
e |
13 |
2 |
397 |
◊ |
N |
x,y,z |
1_555 |
25 |
11 |
9553 |
175.1 |
-2.2 |
0.583 |
3 |
0 |
0 |
0.000 |
| 45 |
80 |
|
c |
12 |
2 |
384 |
◊ |
H |
x,y,z |
1_555 |
24 |
11 |
13113 |
162.0 |
-1.3 |
0.760 |
4 |
0 |
0 |
0.028 |
| 46 |
81 |
|
d |
12 |
2 |
389 |
◊ |
K |
x,y,z |
1_555 |
24 |
14 |
10281 |
161.1 |
-2.4 |
0.597 |
3 |
0 |
0 |
0.000 |
| 47 |
82 |
|
g |
12 |
2 |
384 |
◊ |
Y |
x,y,z |
1_555 |
24 |
13 |
10302 |
160.7 |
-2.4 |
0.595 |
3 |
0 |
0 |
0.000 |
| 48 |
83 |
|
f |
12 |
2 |
397 |
◊ |
V |
x,y,z |
1_555 |
24 |
11 |
13099 |
159.8 |
-1.2 |
0.752 |
4 |
0 |
0 |
0.025 |
| 49 |
84 |
|
[MES]c:302 |
12 |
1 |
338 |
◊ |
H |
x,y,z |
1_555 |
26 |
8 |
13113 |
142.8 |
2.6 |
0.069 |
0 |
0 |
0 |
0.000 |
| 50 |
85 |
|
F |
15 |
4 |
12418 |
◊ |
A |
x,y,z |
1_555 |
17 |
4 |
13440 |
139.7 |
-2.2 |
0.316 |
1 |
0 |
0 |
0.032 |
86 |
|
T |
14 |
4 |
12421 |
◊ |
O |
x,y,z |
1_555 |
17 |
4 |
13434 |
134.3 |
-2.1 |
0.338 |
1 |
0 |
0 |
0.032 |
| Average: |
137.0 |
-2.1 |
0.327 |
1 |
0 |
0 |
0.032 |
| 51 |
87 |
|
T |
15 |
5 |
12421 |
◊ |
P |
x,y,z |
1_555 |
14 |
4 |
12823 |
132.3 |
0.1 |
0.643 |
1 |
0 |
0 |
0.006 |
88 |
|
F |
15 |
5 |
12418 |
◊ |
B |
x,y,z |
1_555 |
15 |
4 |
12858 |
132.0 |
-0.0 |
0.631 |
1 |
0 |
0 |
0.006 |
| Average: |
132.1 |
0.0 |
0.637 |
1 |
0 |
0 |
0.006 |
| 52 |
89 |
|
U |
15 |
3 |
12779 |
◊ |
P |
x,y,z |
1_555 |
12 |
2 |
12823 |
130.5 |
-2.8 |
0.123 |
0 |
0 |
0 |
0.050 |
90 |
|
G |
16 |
3 |
12796 |
◊ |
B |
x,y,z |
1_555 |
12 |
2 |
12858 |
129.9 |
-2.8 |
0.137 |
0 |
0 |
0 |
0.050 |
| Average: |
130.2 |
-2.8 |
0.130 |
0 |
0 |
0 |
0.050 |
| 53 |
91 |
|
[ASJ]h:4 |
8 |
1 |
258 |
cf |
b |
x,y,z |
1_555 |
29 |
13 |
9547 |
127.2 |
0.0 |
0.532 |
5 |
0 |
0 |
0.125 |
92 |
|
[ASJ]e:4 |
8 |
1 |
258 |
cf |
N |
x,y,z |
1_555 |
29 |
13 |
9553 |
126.9 |
-0.0 |
0.547 |
5 |
0 |
0 |
0.125 |
| Average: |
127.1 |
-0.0 |
0.540 |
5 |
0 |
0 |
0.125 |
| 54 |
93 |
|
E |
15 |
5 |
11750 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
12858 |
127.1 |
0.9 |
0.663 |
3 |
2 |
0 |
0.009 |
94 |
|
S |
14 |
5 |
11742 |
◊ |
P |
x,y,z |
1_555 |
10 |
4 |
12823 |
120.6 |
0.8 |
0.659 |
2 |
2 |
0 |
0.009 |
| Average: |
123.9 |
0.8 |
0.661 |
3 |
2 |
0 |
0.009 |
| 55 |
95 |
|
T |
15 |
5 |
12421 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
11 |
5 |
12796 |
126.1 |
-0.6 |
0.515 |
1 |
0 |
0 |
0.000 |
| 56 |
96 |
|
[ASJ]d:4 |
8 |
1 |
256 |
cf |
K |
x,y,z |
1_555 |
30 |
14 |
10281 |
119.8 |
-0.7 |
0.495 |
3 |
0 |
0 |
0.065 |
97 |
|
[ASJ]g:4 |
8 |
1 |
255 |
cf |
Y |
x,y,z |
1_555 |
29 |
12 |
10302 |
118.5 |
-0.7 |
0.483 |
3 |
0 |
0 |
0.065 |
| Average: |
119.2 |
-0.7 |
0.489 |
3 |
0 |
0 |
0.065 |
| 57 |
98 |
|
[MES]f:101 |
8 |
1 |
337 |
◊ |
V |
x,y,z |
1_555 |
23 |
8 |
13099 |
119.5 |
2.1 |
0.184 |
0 |
0 |
0 |
0.000 |
| 58 |
99 |
|
[K]c:301 |
1 |
1 |
216 |
f |
H |
x,y,z |
1_555 |
22 |
9 |
13113 |
108.5 |
-72.7 |
0.000 |
0 |
0 |
0 |
0.656 |
100 |
|
[K]f:102 |
1 |
1 |
216 |
f |
V |
x,y,z |
1_555 |
25 |
12 |
13099 |
100.4 |
-65.0 |
0.000 |
0 |
0 |
0 |
0.656 |
| Average: |
104.4 |
-68.9 |
0.000 |
0 |
0 |
0 |
0.656 |
| 59 |
101 |
|
Q |
15 |
4 |
13041 |
◊ |
O |
x,y,z |
1_555 |
9 |
3 |
13434 |
106.6 |
-1.0 |
0.414 |
1 |
1 |
0 |
0.035 |
102 |
|
C |
14 |
4 |
13047 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
13440 |
103.9 |
-0.9 |
0.420 |
1 |
1 |
0 |
0.035 |
| Average: |
105.2 |
-1.0 |
0.417 |
1 |
1 |
0 |
0.035 |
| 60 |
103 |
|
[ASJ]c:4 |
8 |
1 |
260 |
cf |
H |
x,y,z |
1_555 |
29 |
12 |
13113 |
105.4 |
-0.3 |
0.537 |
5 |
0 |
0 |
0.023 |
| 61 |
104 |
|
R |
15 |
4 |
12257 |
◊ |
P |
x,y,z |
1_555 |
11 |
2 |
12823 |
104.6 |
0.2 |
0.629 |
0 |
0 |
0 |
0.000 |
105 |
|
D |
16 |
4 |
12259 |
◊ |
B |
x,y,z |
1_555 |
11 |
2 |
12858 |
103.5 |
0.2 |
0.637 |
0 |
1 |
0 |
0.000 |
| Average: |
104.1 |
0.2 |
0.633 |
0 |
1 |
0 |
0.000 |
| 62 |
106 |
|
Y |
15 |
3 |
10302 |
◊ |
H |
x,y,z |
1_555 |
8 |
2 |
13113 |
100.9 |
-1.8 |
0.258 |
0 |
0 |
0 |
0.009 |
107 |
|
K |
11 |
3 |
10281 |
◊ |
V |
x,y,z |
1_555 |
7 |
2 |
13099 |
93.7 |
-1.7 |
0.222 |
0 |
0 |
0 |
0.009 |
| Average: |
97.3 |
-1.8 |
0.240 |
0 |
0 |
0 |
0.009 |
| 63 |
108 |
|
[ASJ]f:4 |
8 |
1 |
258 |
cf |
V |
x,y,z |
1_555 |
27 |
13 |
13099 |
99.0 |
-0.1 |
0.581 |
4 |
0 |
0 |
0.016 |
| 64 |
109 |
|
[POL]e:5 |
4 |
1 |
200 |
cf |
N |
x,y,z |
1_555 |
18 |
9 |
9553 |
88.8 |
3.4 |
0.534 |
2 |
0 |
0 |
0.000 |
110 |
|
[POL]h:5 |
4 |
1 |
199 |
cf |
b |
x,y,z |
1_555 |
18 |
9 |
9547 |
88.8 |
3.4 |
0.533 |
2 |
0 |
0 |
0.000 |
| Average: |
88.8 |
3.4 |
0.534 |
2 |
0 |
0 |
0.000 |
| 65 |
111 |
|
T |
7 |
3 |
12421 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
8 |
3 |
11750 |
81.5 |
-0.7 |
0.433 |
2 |
0 |
0 |
0.000 |
| 66 |
112 |
|
[POL]g:5 |
4 |
1 |
197 |
cf |
Y |
x,y,z |
1_555 |
16 |
7 |
10302 |
74.3 |
3.1 |
0.411 |
1 |
0 |
0 |
0.000 |
113 |
|
[POL]d:5 |
4 |
1 |
195 |
cf |
K |
x,y,z |
1_555 |
16 |
7 |
10281 |
73.6 |
3.1 |
0.325 |
1 |
0 |
0 |
0.000 |
| Average: |
73.9 |
3.1 |
0.368 |
1 |
0 |
0 |
0.000 |
| 67 |
114 |
|
[POL]c:5 |
4 |
1 |
197 |
cf |
H |
x,y,z |
1_555 |
19 |
9 |
13113 |
73.9 |
3.1 |
0.573 |
0 |
0 |
0 |
0.000 |
| 68 |
115 |
|
f |
6 |
1 |
397 |
◊ |
W |
x,y,z |
1_555 |
15 |
7 |
10079 |
71.8 |
-1.6 |
0.442 |
1 |
0 |
0 |
0.011 |
| 69 |
116 |
|
a |
7 |
3 |
12498 |
◊ |
G |
x,y,z |
1_555 |
8 |
4 |
12796 |
71.7 |
1.1 |
0.725 |
1 |
0 |
0 |
0.000 |
117 |
|
M |
7 |
3 |
12491 |
◊ |
U |
x,y,z |
1_555 |
7 |
4 |
12779 |
63.7 |
0.8 |
0.647 |
0 |
0 |
0 |
0.000 |
| Average: |
67.7 |
0.9 |
0.686 |
1 |
0 |
0 |
0.000 |
| 70 |
118 |
|
[POL]f:5 |
4 |
1 |
196 |
cf |
V |
x,y,z |
1_555 |
17 |
8 |
13099 |
71.4 |
3.1 |
0.429 |
1 |
0 |
0 |
0.000 |
| 71 |
119 |
|
c |
6 |
1 |
384 |
◊ |
I |
x,y,z |
1_555 |
10 |
5 |
10059 |
66.6 |
-1.6 |
0.385 |
1 |
0 |
0 |
0.012 |
| 72 |
120 |
|
h |
4 |
1 |
397 |
◊ |
V |
x,y,z |
1_555 |
11 |
4 |
13099 |
65.6 |
-0.9 |
0.578 |
0 |
0 |
0 |
0.000 |
| 73 |
121 |
|
e |
4 |
1 |
397 |
◊ |
H |
x,y,z |
1_555 |
10 |
3 |
13113 |
62.2 |
-1.1 |
0.554 |
0 |
0 |
0 |
0.000 |
| 74 |
122 |
|
U |
6 |
2 |
12779 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
9 |
5 |
12418 |
60.1 |
0.3 |
0.682 |
0 |
0 |
0 |
0.000 |
| 75 |
123 |
|
[ACE]h:1 |
3 |
1 |
172 |
cf |
h |
x,y,z |
1_555 |
7 |
2 |
397 |
57.6 |
-0.2 |
0.887 |
1 |
0 |
0 |
0.100 |
| 76 |
124 |
|
[ACE]e:1 |
3 |
1 |
172 |
cf |
e |
x,y,z |
1_555 |
7 |
2 |
397 |
57.6 |
-0.2 |
0.887 |
1 |
0 |
0 |
0.100 |
| 77 |
125 |
|
E |
8 |
3 |
11750 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
13440 |
57.3 |
-0.4 |
0.418 |
0 |
0 |
0 |
0.003 |
126 |
|
S |
8 |
3 |
11742 |
◊ |
O |
x,y,z |
1_555 |
6 |
2 |
13434 |
54.5 |
-0.4 |
0.424 |
0 |
0 |
0 |
0.003 |
| Average: |
55.9 |
-0.4 |
0.421 |
0 |
0 |
0 |
0.003 |
| 78 |
127 |
|
[CL]U:301 |
1 |
1 |
125 |
f |
U |
x,y,z |
1_555 |
7 |
2 |
12779 |
56.2 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.147 |
| 79 |
128 |
|
[MG]J:201 |
1 |
1 |
98 |
f |
J |
x,y,z |
1_555 |
15 |
5 |
10162 |
56.1 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.124 |
| 80 |
129 |
|
[ACE]g:1 |
3 |
1 |
172 |
cf |
g |
x,y,z |
1_555 |
8 |
2 |
384 |
55.5 |
-0.4 |
0.896 |
0 |
0 |
0 |
0.103 |
| 81 |
130 |
|
[ACE]d:1 |
3 |
1 |
171 |
cf |
d |
x,y,z |
1_555 |
8 |
2 |
389 |
55.0 |
-0.3 |
0.897 |
0 |
0 |
0 |
0.103 |
| 82 |
131 |
|
[ACE]c:1 |
3 |
1 |
171 |
◊ |
H |
x,y,z |
1_555 |
9 |
4 |
13113 |
54.9 |
-0.3 |
0.774 |
0 |
0 |
0 |
0.003 |
132 |
|
[ACE]f:1 |
3 |
1 |
173 |
◊ |
V |
x,y,z |
1_555 |
8 |
4 |
13099 |
52.7 |
-0.3 |
0.773 |
0 |
0 |
0 |
0.003 |
| Average: |
53.8 |
-0.3 |
0.773 |
0 |
0 |
0 |
0.003 |
| 83 |
133 |
|
[MG]I:301 |
1 |
1 |
98 |
f |
I |
x,y,z |
1_555 |
15 |
8 |
10059 |
54.5 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.242 |
| 84 |
134 |
|
d |
5 |
1 |
389 |
◊ |
L |
x,y,z |
1_555 |
9 |
4 |
11809 |
54.5 |
-0.5 |
0.643 |
1 |
0 |
0 |
0.000 |
| 85 |
135 |
|
[MG]G:301 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
7 |
6 |
12796 |
51.9 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.186 |
| 86 |
136 |
|
g |
5 |
1 |
384 |
◊ |
Z |
x,y,z |
1_555 |
9 |
4 |
11791 |
51.3 |
-0.5 |
0.647 |
1 |
0 |
0 |
0.000 |
| 87 |
137 |
|
[ACE]f:1 |
2 |
1 |
173 |
◊ |
W |
x,y,z |
1_555 |
6 |
3 |
10079 |
51.1 |
-1.3 |
0.552 |
0 |
0 |
0 |
0.007 |
138 |
|
[ACE]c:1 |
2 |
1 |
171 |
◊ |
I |
x,y,z |
1_555 |
4 |
3 |
10059 |
46.8 |
-1.1 |
0.552 |
0 |
0 |
0 |
0.007 |
| Average: |
48.9 |
-1.2 |
0.552 |
0 |
0 |
0 |
0.007 |
| 88 |
139 |
|
[ACE]c:1 |
3 |
1 |
171 |
cf |
c |
x,y,z |
1_555 |
7 |
2 |
384 |
50.2 |
-0.4 |
0.897 |
0 |
0 |
0 |
0.100 |
| 89 |
140 |
|
[ACE]f:1 |
3 |
1 |
173 |
cf |
f |
x,y,z |
1_555 |
7 |
2 |
397 |
49.5 |
-0.3 |
0.890 |
1 |
0 |
0 |
0.100 |
| 90 |
141 |
|
[MG]W:301 |
1 |
1 |
98 |
f |
W |
x,y,z |
1_555 |
4 |
2 |
10079 |
49.2 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.312 |
| 91 |
142 |
|
[MG]N:201 |
1 |
1 |
98 |
f |
N |
x,y,z |
1_555 |
10 |
7 |
9553 |
48.6 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.262 |
| 92 |
143 |
|
[ACE]d:1 |
2 |
1 |
171 |
◊ |
L |
x,y,z |
1_555 |
6 |
3 |
11809 |
48.5 |
-1.2 |
0.551 |
0 |
0 |
0 |
0.000 |
144 |
|
[ACE]g:1 |
2 |
1 |
172 |
◊ |
Z |
x,y,z |
1_555 |
6 |
3 |
11791 |
48.3 |
-1.2 |
0.555 |
0 |
0 |
0 |
0.000 |
| Average: |
48.4 |
-1.2 |
0.553 |
0 |
0 |
0 |
0.000 |
| 93 |
145 |
|
[POL]e:5 |
4 |
1 |
200 |
cf |
[ASJ]e:4 |
x,y,z |
1_555 |
4 |
1 |
258 |
47.4 |
1.1 |
0.574 |
1 |
0 |
0 |
0.000 |
146 |
|
[POL]h:5 |
4 |
1 |
199 |
cf |
[ASJ]h:4 |
x,y,z |
1_555 |
4 |
1 |
258 |
47.3 |
1.1 |
0.561 |
1 |
0 |
0 |
0.000 |
| Average: |
47.4 |
1.1 |
0.568 |
1 |
0 |
0 |
0.000 |
| 94 |
147 |
|
[ACE]e:1 |
3 |
1 |
172 |
◊ |
N |
x,y,z |
1_555 |
4 |
3 |
9553 |
43.6 |
-0.5 |
0.587 |
0 |
0 |
0 |
0.000 |
148 |
|
[ACE]h:1 |
3 |
1 |
172 |
◊ |
b |
x,y,z |
1_555 |
4 |
3 |
9547 |
43.4 |
-0.5 |
0.587 |
0 |
0 |
0 |
0.000 |
| Average: |
43.5 |
-0.5 |
0.587 |
0 |
0 |
0 |
0.000 |
| 95 |
149 |
|
[ASJ]e:4 |
6 |
1 |
258 |
c |
e |
x,y,z |
1_555 |
4 |
1 |
397 |
43.4 |
-0.1 |
0.628 |
0 |
0 |
0 |
0.000 |
| 96 |
150 |
|
[ASJ]h:4 |
6 |
1 |
258 |
c |
h |
x,y,z |
1_555 |
4 |
1 |
397 |
43.2 |
-0.1 |
0.616 |
0 |
0 |
0 |
0.000 |
151 |
|
[ASJ]g:4 |
6 |
1 |
255 |
c |
g |
x,y,z |
1_555 |
5 |
2 |
384 |
39.3 |
-0.1 |
0.658 |
0 |
0 |
0 |
0.000 |
| Average: |
41.3 |
-0.1 |
0.637 |
0 |
0 |
0 |
0.000 |
| 97 |
152 |
|
[MG]K:301 |
1 |
1 |
98 |
f |
K |
x,y,z |
1_555 |
8 |
6 |
10281 |
42.2 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.217 |
153 |
|
[MG]I:302 |
1 |
1 |
98 |
f |
Y |
x,y,z |
1_555 |
7 |
6 |
10302 |
41.1 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.217 |
| Average: |
41.6 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.217 |
| 98 |
154 |
|
[MG]L:301 |
1 |
1 |
98 |
f |
V |
x,y,z |
1_555 |
9 |
6 |
13099 |
41.0 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.054 |
| 99 |
155 |
|
[POL]d:5 |
4 |
1 |
195 |
cf |
[ASJ]d:4 |
x,y,z |
1_555 |
4 |
1 |
256 |
40.6 |
1.0 |
0.050 |
0 |
0 |
0 |
0.000 |
156 |
|
[POL]g:5 |
4 |
1 |
197 |
cf |
[ASJ]g:4 |
x,y,z |
1_555 |
5 |
1 |
255 |
40.6 |
1.0 |
0.049 |
0 |
0 |
0 |
0.000 |
| Average: |
40.6 |
1.0 |
0.050 |
0 |
0 |
0 |
0.000 |
| 100 |
157 |
|
[ASJ]d:4 |
6 |
1 |
256 |
c |
d |
x,y,z |
1_555 |
5 |
2 |
389 |
40.3 |
-0.1 |
0.666 |
0 |
0 |
0 |
0.000 |
| 101 |
158 |
|
[POL]c:5 |
4 |
1 |
197 |
cf |
[ASJ]c:4 |
x,y,z |
1_555 |
5 |
1 |
260 |
39.0 |
0.8 |
0.578 |
1 |
0 |
0 |
0.000 |
| 102 |
159 |
|
[ASJ]c:4 |
6 |
1 |
260 |
c |
c |
x,y,z |
1_555 |
6 |
2 |
384 |
37.1 |
-0.3 |
0.636 |
0 |
0 |
0 |
0.003 |
| 103 |
160 |
|
[POL]f:5 |
4 |
1 |
196 |
cf |
[ASJ]f:4 |
x,y,z |
1_555 |
4 |
1 |
258 |
37.1 |
0.8 |
0.035 |
1 |
0 |
0 |
0.000 |
| 104 |
161 |
|
[K]f:102 |
1 |
1 |
216 |
f |
[ASJ]f:4 |
x,y,z |
1_555 |
4 |
1 |
258 |
36.8 |
-18.1 |
0.000 |
0 |
0 |
0 |
0.151 |
162 |
|
[K]c:301 |
1 |
1 |
216 |
f |
[ASJ]c:4 |
x,y,z |
1_555 |
4 |
1 |
260 |
33.5 |
-16.3 |
0.000 |
0 |
0 |
0 |
0.151 |
| Average: |
35.1 |
-17.2 |
0.000 |
0 |
0 |
0 |
0.151 |
| 105 |
163 |
|
[ASJ]f:4 |
6 |
1 |
258 |
c |
f |
x,y,z |
1_555 |
7 |
2 |
397 |
35.1 |
-0.2 |
0.698 |
0 |
0 |
0 |
0.001 |
| 106 |
164 |
|
[POL]g:5 |
4 |
1 |
197 |
◊ |
g |
x,y,z |
1_555 |
3 |
1 |
384 |
32.9 |
0.6 |
0.795 |
0 |
0 |
0 |
0.000 |
| 107 |
165 |
|
[CL]U:301 |
1 |
1 |
125 |
◊ |
V |
x,y,z |
1_555 |
3 |
1 |
13099 |
32.4 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.005 |
| 108 |
166 |
|
[POL]d:5 |
4 |
1 |
195 |
◊ |
d |
x,y,z |
1_555 |
3 |
1 |
389 |
32.2 |
0.5 |
0.801 |
0 |
0 |
0 |
0.000 |
| 109 |
167 |
|
R |
4 |
1 |
12257 |
◊ |
O |
x,y,z |
1_555 |
3 |
1 |
13434 |
31.8 |
0.8 |
0.770 |
2 |
0 |
0 |
0.002 |
168 |
|
D |
3 |
1 |
12259 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
13440 |
28.8 |
0.9 |
0.800 |
0 |
0 |
0 |
0.002 |
| Average: |
30.3 |
0.8 |
0.785 |
1 |
0 |
0 |
0.002 |
| 110 |
169 |
|
[POL]e:5 |
3 |
1 |
200 |
◊ |
e |
x,y,z |
1_555 |
3 |
1 |
397 |
31.6 |
0.7 |
0.791 |
0 |
0 |
0 |
0.000 |
| 111 |
170 |
|
[POL]h:5 |
3 |
1 |
199 |
◊ |
h |
x,y,z |
1_555 |
3 |
1 |
397 |
31.0 |
0.7 |
0.790 |
0 |
0 |
0 |
0.000 |
| 112 |
171 |
|
[POL]f:5 |
3 |
1 |
196 |
◊ |
[MES]f:101 |
x,y,z |
1_555 |
6 |
1 |
337 |
30.5 |
1.4 |
0.059 |
0 |
0 |
0 |
0.000 |
| 113 |
172 |
|
[POL]c:5 |
4 |
1 |
197 |
◊ |
c |
x,y,z |
1_555 |
4 |
1 |
384 |
29.9 |
0.5 |
0.856 |
0 |
0 |
0 |
0.000 |
| 114 |
173 |
|
[MG]K:301 |
1 |
1 |
98 |
◊ |
W |
x,y,z |
1_555 |
5 |
2 |
10079 |
29.8 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.103 |
174 |
|
[MG]I:302 |
1 |
1 |
98 |
◊ |
I |
x,y,z |
1_555 |
4 |
1 |
10059 |
26.0 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.103 |
| Average: |
27.9 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.103 |
| 115 |
175 |
|
[MG]L:301 |
1 |
1 |
98 |
◊ |
L |
x,y,z |
1_555 |
6 |
3 |
11809 |
29.4 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.022 |
| 116 |
176 |
|
[K]c:301 |
1 |
1 |
216 |
◊ |
I |
x,y,z |
1_555 |
3 |
3 |
10059 |
29.1 |
-14.8 |
0.000 |
0 |
0 |
0 |
0.107 |
177 |
|
[K]f:102 |
1 |
1 |
216 |
◊ |
W |
x,y,z |
1_555 |
2 |
2 |
10079 |
24.7 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.107 |
| Average: |
26.9 |
-13.4 |
0.000 |
0 |
0 |
0 |
0.107 |
| 117 |
178 |
|
[POL]c:5 |
3 |
1 |
197 |
◊ |
[MES]c:302 |
x,y,z |
1_555 |
4 |
1 |
338 |
28.4 |
0.7 |
0.092 |
0 |
0 |
0 |
0.000 |
| 118 |
179 |
|
[POL]g:5 |
3 |
1 |
197 |
◊ |
[MES]Y:301 |
x,y,z |
1_555 |
4 |
1 |
339 |
28.4 |
1.1 |
0.086 |
0 |
0 |
0 |
0.000 |
180 |
|
[POL]d:5 |
2 |
1 |
195 |
◊ |
[MES]K:302 |
x,y,z |
1_555 |
4 |
1 |
337 |
28.2 |
1.1 |
0.030 |
0 |
0 |
0 |
0.000 |
| Average: |
28.3 |
1.1 |
0.058 |
0 |
0 |
0 |
0.000 |
| 119 |
181 |
|
[POL]f:5 |
3 |
1 |
196 |
◊ |
f |
x,y,z |
1_555 |
3 |
1 |
397 |
28.2 |
0.4 |
0.818 |
0 |
0 |
0 |
0.000 |
| 120 |
182 |
|
[MES]f:101 |
6 |
1 |
337 |
◊ |
f |
x,y,z |
1_555 |
3 |
1 |
397 |
26.3 |
0.5 |
0.066 |
0 |
0 |
0 |
0.000 |
| 121 |
183 |
|
[ASJ]d:4 |
3 |
1 |
256 |
◊ |
[MES]K:302 |
x,y,z |
1_555 |
4 |
1 |
337 |
25.7 |
0.5 |
0.081 |
0 |
0 |
0 |
0.000 |
184 |
|
[ASJ]g:4 |
3 |
1 |
255 |
◊ |
[MES]Y:301 |
x,y,z |
1_555 |
4 |
1 |
339 |
25.5 |
0.5 |
0.066 |
0 |
0 |
0 |
0.000 |
| Average: |
25.6 |
0.5 |
0.074 |
0 |
0 |
0 |
0.000 |
| 122 |
185 |
|
[K]f:102 |
1 |
1 |
216 |
◊ |
f |
x,y,z |
1_555 |
5 |
2 |
397 |
25.3 |
-13.7 |
0.000 |
0 |
0 |
0 |
0.114 |
| 123 |
186 |
|
[ASJ]f:4 |
3 |
1 |
258 |
◊ |
[MES]f:101 |
x,y,z |
1_555 |
3 |
1 |
337 |
25.1 |
0.8 |
0.227 |
0 |
0 |
0 |
0.000 |
| 124 |
187 |
|
[ACE]g:1 |
3 |
1 |
172 |
◊ |
Y |
x,y,z |
1_555 |
6 |
4 |
10302 |
25.1 |
-0.3 |
0.713 |
0 |
0 |
0 |
0.000 |
188 |
|
[ACE]d:1 |
2 |
1 |
171 |
◊ |
K |
x,y,z |
1_555 |
5 |
3 |
10281 |
22.8 |
-0.2 |
0.679 |
0 |
0 |
0 |
0.000 |
| Average: |
23.9 |
-0.3 |
0.696 |
0 |
0 |
0 |
0.000 |
| 125 |
189 |
|
[MG]N:201 |
1 |
1 |
98 |
◊ |
a |
x,y,z |
1_555 |
2 |
2 |
12498 |
22.5 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.095 |
| 126 |
190 |
|
[MG]J:201 |
1 |
1 |
98 |
◊ |
I |
x,y,z |
1_555 |
4 |
3 |
10059 |
22.4 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.047 |
| 127 |
191 |
|
[MG]I:301 |
1 |
1 |
98 |
◊ |
Y |
x,y,z |
1_555 |
3 |
2 |
10302 |
18.3 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.063 |
| 128 |
192 |
|
[ASJ]c:4 |
3 |
1 |
260 |
◊ |
[MES]c:302 |
x,y,z |
1_555 |
3 |
1 |
338 |
18.2 |
0.4 |
0.124 |
0 |
0 |
0 |
0.000 |
| 129 |
193 |
|
[MES]c:302 |
2 |
1 |
338 |
◊ |
N |
x,y,z |
1_555 |
3 |
1 |
9553 |
17.8 |
0.4 |
0.290 |
0 |
0 |
0 |
0.000 |
| 130 |
194 |
|
[ACE]h:1 |
2 |
1 |
172 |
◊ |
V |
x,y,z |
1_555 |
4 |
2 |
13099 |
17.3 |
-0.2 |
0.771 |
0 |
0 |
0 |
0.000 |
195 |
|
[ACE]e:1 |
1 |
1 |
172 |
◊ |
H |
x,y,z |
1_555 |
4 |
2 |
13113 |
11.1 |
-0.2 |
0.631 |
0 |
0 |
0 |
0.000 |
| Average: |
14.2 |
-0.2 |
0.701 |
0 |
0 |
0 |
0.000 |
| 131 |
196 |
|
V |
3 |
1 |
13099 |
◊ |
P |
x,y,z |
1_555 |
3 |
2 |
12823 |
14.4 |
-0.2 |
0.497 |
0 |
0 |
0 |
0.000 |
197 |
|
H |
2 |
1 |
13113 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
12858 |
7.4 |
-0.1 |
0.515 |
0 |
0 |
0 |
0.000 |
| Average: |
10.9 |
-0.1 |
0.506 |
0 |
0 |
0 |
0.000 |
| 132 |
198 |
|
[MES]Y:301 |
1 |
1 |
339 |
f |
g |
x,y,z |
1_555 |
2 |
1 |
384 |
12.8 |
0.0 |
0.398 |
0 |
0 |
0 |
0.000 |
| 133 |
199 |
|
[MES]c:302 |
1 |
1 |
338 |
◊ |
c |
x,y,z |
1_555 |
2 |
1 |
384 |
12.8 |
0.0 |
0.407 |
0 |
0 |
0 |
0.000 |
| 134 |
200 |
|
[MES]K:302 |
1 |
1 |
337 |
f |
d |
x,y,z |
1_555 |
2 |
1 |
389 |
12.4 |
0.0 |
0.398 |
0 |
0 |
0 |
0.000 |
| 135 |
201 |
|
[K]c:301 |
1 |
1 |
216 |
◊ |
c |
x,y,z |
1_555 |
4 |
2 |
384 |
10.7 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.050 |
| 136 |
202 |
|
[CL]U:301 |
1 |
1 |
125 |
◊ |
O |
x,y,z |
1_555 |
4 |
2 |
13434 |
10.3 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.016 |
| 137 |
203 |
|
[POL]f:5 |
2 |
1 |
196 |
◊ |
L |
x,y,z |
1_555 |
2 |
1 |
11809 |
10.0 |
0.1 |
0.661 |
0 |
0 |
0 |
0.000 |
| 138 |
204 |
|
[POL]c:5 |
1 |
1 |
197 |
◊ |
Z |
x,y,z |
1_555 |
2 |
1 |
11791 |
7.9 |
0.1 |
0.677 |
0 |
0 |
0 |
0.000 |
| 139 |
205 |
|
S |
1 |
1 |
11742 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
13047 |
5.5 |
0.2 |
0.788 |
0 |
0 |
0 |
0.000 |
| 140 |
206 |
|
[MES]f:101 |
1 |
1 |
337 |
f |
L |
x,y,z |
1_555 |
2 |
1 |
11809 |
5.1 |
-0.0 |
0.280 |
0 |
0 |
0 |
0.100 |
| 141 |
207 |
|
[MES]c:302 |
1 |
1 |
338 |
f |
Z |
x,y,z |
1_555 |
1 |
1 |
11791 |
4.1 |
-0.0 |
0.251 |
0 |
0 |
0 |
0.100 |
| 142 |
208 |
|
[ASJ]f:4 |
1 |
1 |
258 |
◊ |
W |
x,y,z |
1_555 |
1 |
1 |
10079 |
3.3 |
-0.1 |
0.304 |
0 |
0 |
0 |
0.000 |
| 143 |
209 |
|
[ASJ]c:4 |
2 |
1 |
260 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
10059 |
3.3 |
-0.2 |
0.319 |
0 |
0 |
0 |
0.001 |
| 144 |
210 |
|
[MES]K:302 |
2 |
1 |
337 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
10162 |
1.9 |
0.0 |
0.141 |
0 |
0 |
0 |
0.000 |
| 145 |
211 |
|
[K]f:102 |
1 |
1 |
216 |
f |
[POL]f:5 |
x,y,z |
1_555 |
1 |
1 |
196 |
1.4 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.006 |
| 146 |
212 |
|
[ACE]f:1 |
1 |
1 |
173 |
◊ |
[MES]f:101 |
x,y,z |
1_555 |
1 |
1 |
337 |
0.3 |
0.0 |
0.333 |
0 |
0 |
0 |
0.000 |
|