| ## |
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 |
179 |
47 |
9991 |
◊ |
H |
x,y,z |
1_555 |
162 |
42 |
13224 |
1628.4 |
-13.8 |
0.266 |
27 |
18 |
0 |
0.773 |
2 |
|
W |
178 |
48 |
9983 |
◊ |
V |
x,y,z |
1_555 |
160 |
43 |
13232 |
1619.2 |
-14.1 |
0.253 |
26 |
15 |
0 |
0.773 |
| Average: |
1623.8 |
-13.9 |
0.259 |
27 |
17 |
0 |
0.773 |
| 2 |
3 |
|
C |
157 |
35 |
13142 |
◊ |
B |
x,y,z |
1_555 |
183 |
44 |
13154 |
1593.6 |
-11.3 |
0.199 |
17 |
3 |
0 |
1.000 |
4 |
|
Q |
150 |
34 |
13169 |
◊ |
P |
x,y,z |
1_555 |
185 |
43 |
13146 |
1555.8 |
-10.9 |
0.204 |
18 |
3 |
0 |
1.000 |
| Average: |
1574.7 |
-11.1 |
0.202 |
18 |
3 |
0 |
1.000 |
| 3 |
5 |
|
U |
157 |
41 |
12905 |
◊ |
O |
x,y,z |
1_555 |
140 |
38 |
13335 |
1450.2 |
-16.6 |
0.123 |
14 |
3 |
0 |
0.337 |
6 |
|
G |
157 |
42 |
12910 |
◊ |
A |
x,y,z |
1_555 |
140 |
38 |
13363 |
1445.8 |
-16.5 |
0.124 |
13 |
2 |
0 |
0.337 |
| Average: |
1448.0 |
-16.6 |
0.123 |
14 |
3 |
0 |
0.337 |
| 4 |
7 |
|
Z |
157 |
39 |
11918 |
◊ |
H |
x,y,z |
1_555 |
142 |
35 |
13224 |
1431.7 |
-6.4 |
0.491 |
20 |
4 |
0 |
0.684 |
8 |
|
L |
156 |
39 |
11905 |
◊ |
V |
x,y,z |
1_555 |
139 |
35 |
13232 |
1430.6 |
-6.5 |
0.481 |
19 |
4 |
0 |
0.684 |
| Average: |
1431.2 |
-6.5 |
0.486 |
20 |
4 |
0 |
0.684 |
| 5 |
9 |
|
G |
142 |
33 |
12910 |
◊ |
F |
x,y,z |
1_555 |
159 |
41 |
12485 |
1408.6 |
-14.8 |
0.119 |
16 |
3 |
0 |
0.333 |
10 |
|
U |
141 |
33 |
12905 |
◊ |
T |
x,y,z |
1_555 |
163 |
42 |
12475 |
1403.9 |
-14.2 |
0.142 |
18 |
2 |
0 |
0.333 |
| Average: |
1406.3 |
-14.5 |
0.130 |
17 |
3 |
0 |
0.333 |
| 6 |
11 |
|
P |
141 |
38 |
13146 |
◊ |
O |
x,y,z |
1_555 |
163 |
42 |
13335 |
1406.6 |
-16.4 |
0.108 |
17 |
1 |
0 |
0.322 |
12 |
|
B |
147 |
37 |
13154 |
◊ |
A |
x,y,z |
1_555 |
155 |
41 |
13363 |
1399.3 |
-16.3 |
0.117 |
18 |
1 |
0 |
0.322 |
| Average: |
1402.9 |
-16.3 |
0.112 |
18 |
1 |
0 |
0.322 |
| 7 |
13 |
|
T |
144 |
34 |
12475 |
◊ |
S |
x,y,z |
1_555 |
147 |
38 |
12013 |
1336.6 |
-12.6 |
0.141 |
14 |
4 |
0 |
0.282 |
14 |
|
F |
143 |
34 |
12485 |
◊ |
E |
x,y,z |
1_555 |
145 |
38 |
12008 |
1314.6 |
-12.3 |
0.151 |
13 |
3 |
0 |
0.282 |
| Average: |
1325.6 |
-12.5 |
0.146 |
14 |
4 |
0 |
0.282 |
| 8 |
15 |
|
b |
143 |
40 |
9661 |
◊ |
M |
x,y,z |
1_555 |
135 |
30 |
12470 |
1309.0 |
-7.0 |
0.428 |
25 |
3 |
0 |
1.000 |
16 |
|
N |
144 |
41 |
9658 |
◊ |
a |
x,y,z |
1_555 |
134 |
30 |
12471 |
1308.5 |
-7.0 |
0.431 |
25 |
3 |
0 |
1.000 |
| Average: |
1308.8 |
-7.0 |
0.429 |
25 |
3 |
0 |
1.000 |
| 9 |
17 |
|
D |
140 |
37 |
12893 |
◊ |
C |
x,y,z |
1_555 |
142 |
37 |
13142 |
1301.6 |
-11.0 |
0.151 |
16 |
1 |
0 |
0.544 |
18 |
|
R |
138 |
37 |
12880 |
◊ |
Q |
x,y,z |
1_555 |
141 |
35 |
13169 |
1287.3 |
-10.8 |
0.147 |
15 |
1 |
0 |
0.544 |
| Average: |
1294.4 |
-10.9 |
0.149 |
16 |
1 |
0 |
0.544 |
| 10 |
19 |
|
S |
131 |
37 |
12013 |
◊ |
R |
x,y,z |
1_555 |
138 |
40 |
12880 |
1280.0 |
-8.5 |
0.238 |
14 |
4 |
0 |
1.000 |
20 |
|
E |
126 |
37 |
12008 |
◊ |
D |
x,y,z |
1_555 |
137 |
40 |
12893 |
1256.5 |
-8.5 |
0.239 |
14 |
4 |
0 |
1.000 |
| Average: |
1268.3 |
-8.5 |
0.238 |
14 |
4 |
0 |
1.000 |
| 11 |
21 |
|
K |
108 |
28 |
10413 |
◊ |
W |
x,y,z |
1_555 |
106 |
25 |
9983 |
997.4 |
-2.4 |
0.608 |
18 |
5 |
0 |
0.177 |
22 |
|
Y |
108 |
28 |
10421 |
◊ |
I |
x,y,z |
1_555 |
104 |
24 |
9991 |
994.4 |
-2.0 |
0.630 |
19 |
5 |
0 |
0.177 |
| Average: |
995.9 |
-2.2 |
0.619 |
19 |
5 |
0 |
0.177 |
| 12 |
23 |
|
a |
95 |
28 |
12471 |
◊ |
Z |
x,y,z |
1_555 |
100 |
29 |
11918 |
943.4 |
-1.0 |
0.644 |
15 |
9 |
0 |
0.133 |
24 |
|
M |
95 |
28 |
12470 |
◊ |
L |
x,y,z |
1_555 |
100 |
29 |
11905 |
933.5 |
-0.8 |
0.652 |
16 |
9 |
0 |
0.133 |
| Average: |
938.5 |
-0.9 |
0.648 |
16 |
9 |
0 |
0.133 |
| 13 |
25 |
|
a |
94 |
24 |
12471 |
◊ |
H |
x,y,z |
1_555 |
98 |
27 |
13224 |
894.8 |
-10.7 |
0.193 |
3 |
2 |
0 |
0.176 |
26 |
|
M |
92 |
24 |
12470 |
◊ |
V |
x,y,z |
1_555 |
99 |
28 |
13232 |
893.8 |
-10.7 |
0.190 |
3 |
2 |
0 |
0.176 |
| Average: |
894.3 |
-10.7 |
0.191 |
3 |
2 |
0 |
0.176 |
| 14 |
27 |
|
Y |
92 |
23 |
10421 |
◊ |
J |
x,y,z |
1_555 |
87 |
19 |
10398 |
806.6 |
-3.1 |
0.449 |
8 |
8 |
0 |
0.123 |
28 |
|
K |
92 |
22 |
10413 |
◊ |
X |
x,y,z |
1_555 |
88 |
19 |
10403 |
803.1 |
-2.6 |
0.480 |
8 |
9 |
0 |
0.123 |
| Average: |
804.9 |
-2.9 |
0.464 |
8 |
9 |
0 |
0.123 |
| 15 |
29 |
|
Z |
87 |
21 |
11918 |
◊ |
I |
x,y,z |
1_555 |
89 |
21 |
9991 |
710.6 |
-2.9 |
0.471 |
7 |
5 |
0 |
0.120 |
30 |
|
L |
87 |
21 |
11905 |
◊ |
W |
x,y,z |
1_555 |
90 |
21 |
9983 |
706.3 |
-3.0 |
0.467 |
7 |
6 |
0 |
0.120 |
| Average: |
708.4 |
-3.0 |
0.469 |
7 |
6 |
0 |
0.120 |
| 16 |
31 |
|
X |
76 |
19 |
10403 |
◊ |
J |
x,y,z |
1_555 |
75 |
19 |
10398 |
699.4 |
-1.8 |
0.473 |
13 |
0 |
0 |
0.060 |
| 17 |
32 |
|
Z |
75 |
21 |
11918 |
◊ |
Y |
x,y,z |
1_555 |
75 |
20 |
10421 |
697.1 |
-3.3 |
0.284 |
14 |
6 |
0 |
0.166 |
33 |
|
L |
76 |
21 |
11905 |
◊ |
K |
x,y,z |
1_555 |
76 |
20 |
10413 |
692.8 |
-3.4 |
0.299 |
14 |
6 |
0 |
0.166 |
| Average: |
694.9 |
-3.3 |
0.291 |
14 |
6 |
0 |
0.166 |
| 18 |
34 |
|
H |
62 |
15 |
13224 |
◊ |
G |
x,y,z |
1_555 |
73 |
17 |
12910 |
659.4 |
-0.6 |
0.639 |
10 |
14 |
0 |
0.074 |
35 |
|
V |
66 |
16 |
13232 |
◊ |
U |
x,y,z |
1_555 |
73 |
17 |
12905 |
652.6 |
-0.5 |
0.649 |
12 |
14 |
0 |
0.074 |
| Average: |
656.0 |
-0.6 |
0.644 |
11 |
14 |
0 |
0.074 |
| 19 |
36 |
|
V |
66 |
18 |
13232 |
◊ |
O |
x,y,z |
1_555 |
74 |
20 |
13335 |
656.3 |
-5.0 |
0.483 |
12 |
4 |
0 |
0.105 |
37 |
|
H |
66 |
18 |
13224 |
◊ |
A |
x,y,z |
1_555 |
74 |
21 |
13363 |
651.2 |
-5.1 |
0.475 |
11 |
4 |
0 |
0.105 |
| Average: |
653.8 |
-5.0 |
0.479 |
12 |
4 |
0 |
0.105 |
| 20 |
38 |
|
K |
74 |
23 |
10413 |
◊ |
J |
x,y,z |
1_555 |
61 |
18 |
10398 |
639.7 |
-2.0 |
0.505 |
6 |
3 |
0 |
0.085 |
39 |
|
Y |
73 |
23 |
10421 |
◊ |
X |
x,y,z |
1_555 |
62 |
18 |
10403 |
634.4 |
-2.4 |
0.476 |
6 |
3 |
0 |
0.085 |
| Average: |
637.0 |
-2.2 |
0.491 |
6 |
3 |
0 |
0.085 |
| 21 |
40 |
|
N |
69 |
16 |
9658 |
◊ |
b |
x,y,z |
1_555 |
68 |
16 |
9661 |
637.2 |
-3.8 |
0.368 |
13 |
4 |
0 |
0.050 |
| 22 |
41 |
|
N |
63 |
20 |
9658 |
◊ |
M |
x,y,z |
1_555 |
71 |
21 |
12470 |
620.1 |
-2.3 |
0.505 |
9 |
3 |
0 |
0.064 |
42 |
|
b |
63 |
20 |
9661 |
◊ |
a |
x,y,z |
1_555 |
69 |
21 |
12471 |
609.4 |
-2.1 |
0.511 |
9 |
2 |
0 |
0.064 |
| Average: |
614.7 |
-2.2 |
0.508 |
9 |
3 |
0 |
0.064 |
| 23 |
43 |
|
M |
71 |
20 |
12470 |
◊ |
E |
x,y,z |
1_555 |
59 |
13 |
12008 |
611.3 |
-2.2 |
0.488 |
8 |
3 |
0 |
0.028 |
44 |
|
a |
69 |
20 |
12471 |
◊ |
S |
x,y,z |
1_555 |
59 |
13 |
12013 |
608.3 |
-2.1 |
0.487 |
8 |
3 |
0 |
0.028 |
| Average: |
609.8 |
-2.2 |
0.487 |
8 |
3 |
0 |
0.028 |
| 24 |
45 |
|
J |
63 |
22 |
10398 |
◊ |
I |
x,y,z |
1_555 |
70 |
25 |
9991 |
605.0 |
-4.4 |
0.306 |
11 |
4 |
0 |
0.153 |
46 |
|
X |
63 |
21 |
10403 |
◊ |
W |
x,y,z |
1_555 |
67 |
23 |
9983 |
596.9 |
-4.3 |
0.304 |
10 |
4 |
0 |
0.153 |
| Average: |
601.0 |
-4.4 |
0.305 |
11 |
4 |
0 |
0.153 |
| 25 |
47 |
|
J |
60 |
17 |
10398 |
◊ |
B |
x,y,z |
1_555 |
52 |
12 |
13154 |
555.9 |
0.9 |
0.562 |
14 |
3 |
0 |
0.016 |
48 |
|
X |
61 |
17 |
10403 |
◊ |
P |
x,y,z |
1_555 |
51 |
12 |
13146 |
553.6 |
1.0 |
0.571 |
13 |
2 |
0 |
0.016 |
| Average: |
554.8 |
1.0 |
0.566 |
14 |
3 |
0 |
0.016 |
| 26 |
49 |
|
Z |
56 |
14 |
11918 |
◊ |
R |
x,y,z |
1_555 |
59 |
15 |
12880 |
533.2 |
2.1 |
0.763 |
9 |
4 |
0 |
0.028 |
50 |
|
L |
55 |
14 |
11905 |
◊ |
D |
x,y,z |
1_555 |
58 |
14 |
12893 |
529.9 |
2.1 |
0.763 |
9 |
4 |
0 |
0.028 |
| Average: |
531.6 |
2.1 |
0.763 |
9 |
4 |
0 |
0.028 |
| 27 |
51 |
|
I |
60 |
17 |
9991 |
◊ |
A |
x,y,z |
1_555 |
48 |
12 |
13363 |
523.4 |
-3.8 |
0.448 |
5 |
1 |
0 |
0.048 |
52 |
|
W |
60 |
17 |
9983 |
◊ |
O |
x,y,z |
1_555 |
44 |
12 |
13335 |
520.6 |
-3.8 |
0.430 |
5 |
1 |
0 |
0.048 |
| Average: |
522.0 |
-3.8 |
0.439 |
5 |
1 |
0 |
0.048 |
| 28 |
53 |
|
N |
53 |
19 |
9658 |
◊ |
H |
x,y,z |
1_555 |
56 |
20 |
13224 |
503.3 |
-1.7 |
0.597 |
10 |
5 |
0 |
0.101 |
54 |
|
b |
53 |
18 |
9661 |
◊ |
V |
x,y,z |
1_555 |
54 |
20 |
13232 |
502.9 |
-1.8 |
0.584 |
10 |
5 |
0 |
0.101 |
| Average: |
503.1 |
-1.8 |
0.591 |
10 |
5 |
0 |
0.101 |
| 29 |
55 |
|
P |
52 |
17 |
13146 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
57 |
15 |
12893 |
494.4 |
-0.6 |
0.530 |
5 |
2 |
0 |
0.000 |
| 30 |
56 |
|
W |
47 |
11 |
9983 |
◊ |
P |
x,y,z |
1_555 |
54 |
14 |
13146 |
482.2 |
-2.4 |
0.422 |
7 |
0 |
0 |
0.018 |
57 |
|
I |
46 |
11 |
9991 |
◊ |
B |
x,y,z |
1_555 |
55 |
13 |
13154 |
477.8 |
-2.6 |
0.395 |
7 |
0 |
0 |
0.018 |
| Average: |
480.0 |
-2.5 |
0.408 |
7 |
0 |
0 |
0.018 |
| 31 |
58 |
|
N |
55 |
14 |
9658 |
◊ |
F |
x,y,z |
1_555 |
45 |
11 |
12485 |
455.4 |
-2.6 |
0.436 |
6 |
1 |
0 |
0.023 |
59 |
|
b |
52 |
14 |
9661 |
◊ |
T |
x,y,z |
1_555 |
46 |
11 |
12475 |
453.8 |
-2.5 |
0.443 |
6 |
1 |
0 |
0.023 |
| Average: |
454.6 |
-2.5 |
0.439 |
6 |
1 |
0 |
0.023 |
| 32 |
60 |
|
[1G5]V:301 |
33 |
1 |
833 |
cf |
V |
x,y,z |
1_555 |
59 |
22 |
13232 |
439.4 |
-3.6 |
0.409 |
8 |
0 |
0 |
0.355 |
61 |
|
[1G5]H:301 |
36 |
1 |
838 |
cf |
H |
x,y,z |
1_555 |
60 |
22 |
13224 |
438.1 |
-3.5 |
0.446 |
12 |
0 |
0 |
0.355 |
| Average: |
438.7 |
-3.5 |
0.427 |
10 |
0 |
0 |
0.355 |
| 33 |
62 |
|
a |
47 |
12 |
12471 |
◊ |
T |
x,y,z |
1_555 |
57 |
17 |
12475 |
437.0 |
-0.6 |
0.656 |
6 |
7 |
0 |
0.013 |
63 |
|
M |
48 |
12 |
12470 |
◊ |
F |
x,y,z |
1_555 |
57 |
17 |
12485 |
426.0 |
-1.3 |
0.594 |
6 |
7 |
0 |
0.013 |
| Average: |
431.5 |
-0.9 |
0.625 |
6 |
7 |
0 |
0.013 |
| 34 |
64 |
|
N |
50 |
12 |
9658 |
◊ |
G |
x,y,z |
1_555 |
50 |
13 |
12910 |
427.3 |
-2.3 |
0.434 |
4 |
2 |
0 |
0.041 |
65 |
|
b |
49 |
13 |
9661 |
◊ |
U |
x,y,z |
1_555 |
51 |
13 |
12905 |
418.1 |
-2.4 |
0.427 |
3 |
1 |
0 |
0.041 |
| Average: |
422.7 |
-2.4 |
0.431 |
4 |
2 |
0 |
0.041 |
| 35 |
66 |
|
[1G5]Y:301 |
34 |
1 |
822 |
cf |
Y |
x,y,z |
1_555 |
49 |
21 |
10421 |
415.8 |
-5.3 |
0.221 |
5 |
0 |
0 |
0.134 |
67 |
|
[1G5]K:301 |
31 |
1 |
821 |
cf |
K |
x,y,z |
1_555 |
49 |
21 |
10413 |
413.2 |
-5.7 |
0.227 |
8 |
0 |
0 |
0.134 |
| Average: |
414.5 |
-5.5 |
0.224 |
7 |
0 |
0 |
0.134 |
| 36 |
68 |
|
K |
38 |
10 |
10413 |
◊ |
D |
x,y,z |
1_555 |
49 |
12 |
12893 |
408.3 |
-3.4 |
0.338 |
5 |
6 |
0 |
0.075 |
69 |
|
Y |
40 |
10 |
10421 |
◊ |
R |
x,y,z |
1_555 |
46 |
12 |
12880 |
407.6 |
-3.2 |
0.349 |
6 |
6 |
0 |
0.075 |
| Average: |
407.9 |
-3.3 |
0.344 |
6 |
6 |
0 |
0.075 |
| 37 |
70 |
|
J |
40 |
9 |
10398 |
◊ |
C |
x,y,z |
1_555 |
45 |
11 |
13142 |
402.4 |
-2.5 |
0.268 |
5 |
3 |
0 |
0.015 |
71 |
|
X |
40 |
9 |
10403 |
◊ |
Q |
x,y,z |
1_555 |
46 |
12 |
13169 |
399.8 |
-2.5 |
0.272 |
5 |
3 |
0 |
0.015 |
| Average: |
401.1 |
-2.5 |
0.270 |
5 |
3 |
0 |
0.015 |
| 38 |
72 |
|
Z |
33 |
8 |
11918 |
◊ |
S |
x,y,z |
1_555 |
49 |
14 |
12013 |
377.5 |
0.2 |
0.578 |
4 |
2 |
0 |
0.021 |
73 |
|
L |
34 |
8 |
11905 |
◊ |
E |
x,y,z |
1_555 |
49 |
14 |
12008 |
370.7 |
0.2 |
0.582 |
4 |
2 |
0 |
0.021 |
| Average: |
374.1 |
0.2 |
0.580 |
4 |
2 |
0 |
0.021 |
| 39 |
74 |
|
U |
35 |
9 |
12905 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
44 |
14 |
13363 |
340.5 |
1.7 |
0.808 |
3 |
0 |
0 |
0.000 |
| 40 |
75 |
|
U |
38 |
12 |
12905 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
35 |
17 |
12910 |
303.8 |
-0.2 |
0.520 |
1 |
0 |
0 |
0.000 |
| 41 |
76 |
|
T |
44 |
13 |
12475 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
36 |
15 |
12485 |
302.6 |
1.9 |
0.804 |
3 |
2 |
0 |
0.000 |
| 42 |
77 |
|
Y |
31 |
13 |
10421 |
◊ |
Q |
x,y,z |
1_555 |
32 |
11 |
13169 |
301.9 |
1.7 |
0.769 |
6 |
8 |
0 |
0.005 |
78 |
|
K |
31 |
13 |
10413 |
◊ |
C |
x,y,z |
1_555 |
34 |
11 |
13142 |
301.7 |
2.3 |
0.800 |
5 |
8 |
0 |
0.005 |
| Average: |
301.8 |
2.0 |
0.784 |
6 |
8 |
0 |
0.005 |
| 43 |
79 |
|
R |
40 |
13 |
12880 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
22 |
10 |
13154 |
284.8 |
-1.3 |
0.271 |
2 |
1 |
0 |
0.000 |
| 44 |
80 |
|
[1G5]Y:301 |
15 |
1 |
822 |
◊ |
Z |
x,y,z |
1_555 |
23 |
9 |
11918 |
175.8 |
2.4 |
0.709 |
4 |
0 |
0 |
0.000 |
81 |
|
[1G5]K:301 |
16 |
1 |
821 |
◊ |
L |
x,y,z |
1_555 |
19 |
9 |
11905 |
167.1 |
1.3 |
0.636 |
2 |
0 |
0 |
0.000 |
| Average: |
171.4 |
1.9 |
0.673 |
3 |
0 |
0 |
0.000 |
| 45 |
82 |
|
[1G5]H:301 |
18 |
1 |
838 |
◊ |
I |
x,y,z |
1_555 |
22 |
8 |
9991 |
170.3 |
-0.5 |
0.232 |
2 |
0 |
0 |
0.036 |
83 |
|
[1G5]V:301 |
18 |
1 |
833 |
◊ |
W |
x,y,z |
1_555 |
17 |
7 |
9983 |
166.6 |
-0.6 |
0.167 |
1 |
0 |
0 |
0.036 |
| Average: |
168.4 |
-0.5 |
0.200 |
2 |
0 |
0 |
0.036 |
| 46 |
84 |
|
T |
14 |
4 |
12475 |
◊ |
O |
x,y,z |
1_555 |
17 |
4 |
13335 |
146.5 |
-1.7 |
0.409 |
3 |
0 |
0 |
0.043 |
85 |
|
F |
13 |
4 |
12485 |
◊ |
A |
x,y,z |
1_555 |
17 |
4 |
13363 |
145.7 |
-1.5 |
0.437 |
3 |
0 |
0 |
0.043 |
| Average: |
146.1 |
-1.6 |
0.423 |
3 |
0 |
0 |
0.043 |
| 47 |
86 |
|
T |
17 |
5 |
12475 |
◊ |
P |
x,y,z |
1_555 |
16 |
4 |
13146 |
142.2 |
0.7 |
0.688 |
3 |
0 |
0 |
0.012 |
87 |
|
F |
16 |
5 |
12485 |
◊ |
B |
x,y,z |
1_555 |
15 |
4 |
13154 |
139.6 |
0.5 |
0.668 |
3 |
0 |
0 |
0.012 |
| Average: |
140.9 |
0.6 |
0.678 |
3 |
0 |
0 |
0.012 |
| 48 |
88 |
|
T |
18 |
6 |
12475 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
13 |
6 |
12910 |
136.0 |
0.1 |
0.629 |
2 |
0 |
0 |
0.000 |
| 49 |
89 |
|
U |
16 |
4 |
12905 |
◊ |
P |
x,y,z |
1_555 |
14 |
3 |
13146 |
130.4 |
-2.8 |
0.146 |
0 |
0 |
0 |
0.037 |
90 |
|
G |
16 |
4 |
12910 |
◊ |
B |
x,y,z |
1_555 |
14 |
3 |
13154 |
125.3 |
-2.8 |
0.152 |
0 |
0 |
0 |
0.037 |
| Average: |
127.9 |
-2.8 |
0.149 |
0 |
0 |
0 |
0.037 |
| 50 |
91 |
|
R |
15 |
4 |
12880 |
◊ |
P |
x,y,z |
1_555 |
15 |
3 |
13146 |
125.5 |
0.8 |
0.694 |
1 |
2 |
0 |
0.000 |
92 |
|
D |
16 |
5 |
12893 |
◊ |
B |
x,y,z |
1_555 |
15 |
3 |
13154 |
125.2 |
0.8 |
0.694 |
0 |
2 |
0 |
0.000 |
| Average: |
125.4 |
0.8 |
0.694 |
1 |
2 |
0 |
0.000 |
| 51 |
93 |
|
E |
17 |
7 |
12008 |
◊ |
B |
x,y,z |
1_555 |
13 |
4 |
13154 |
115.1 |
0.6 |
0.659 |
1 |
1 |
0 |
0.001 |
94 |
|
S |
17 |
7 |
12013 |
◊ |
P |
x,y,z |
1_555 |
12 |
4 |
13146 |
109.3 |
0.5 |
0.649 |
1 |
1 |
0 |
0.001 |
| Average: |
112.2 |
0.6 |
0.654 |
1 |
1 |
0 |
0.001 |
| 52 |
95 |
|
Q |
14 |
4 |
13169 |
◊ |
O |
x,y,z |
1_555 |
9 |
3 |
13335 |
93.6 |
-1.2 |
0.385 |
0 |
0 |
0 |
0.010 |
96 |
|
C |
14 |
4 |
13142 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
13363 |
90.2 |
-1.2 |
0.385 |
0 |
0 |
0 |
0.010 |
| Average: |
91.9 |
-1.2 |
0.385 |
0 |
0 |
0 |
0.010 |
| 53 |
97 |
|
T |
9 |
2 |
12475 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
14 |
4 |
12008 |
91.3 |
-0.2 |
0.543 |
2 |
0 |
0 |
0.000 |
| 54 |
98 |
|
Y |
13 |
3 |
10421 |
◊ |
H |
x,y,z |
1_555 |
8 |
2 |
13224 |
90.1 |
-1.8 |
0.265 |
0 |
0 |
0 |
0.014 |
99 |
|
K |
14 |
3 |
10413 |
◊ |
V |
x,y,z |
1_555 |
8 |
2 |
13232 |
85.1 |
-1.7 |
0.280 |
0 |
0 |
0 |
0.014 |
| Average: |
87.6 |
-1.8 |
0.273 |
0 |
0 |
0 |
0.014 |
| 55 |
100 |
|
a |
7 |
3 |
12471 |
◊ |
G |
x,y,z |
1_555 |
10 |
5 |
12910 |
73.9 |
1.2 |
0.755 |
1 |
0 |
0 |
0.000 |
101 |
|
M |
7 |
3 |
12470 |
◊ |
U |
x,y,z |
1_555 |
8 |
3 |
12905 |
69.2 |
0.9 |
0.697 |
1 |
0 |
0 |
0.000 |
| Average: |
71.5 |
1.1 |
0.726 |
1 |
0 |
0 |
0.000 |
| 56 |
102 |
|
E |
6 |
2 |
12008 |
◊ |
A |
x,y,z |
1_555 |
6 |
1 |
13363 |
54.9 |
-0.4 |
0.445 |
1 |
0 |
0 |
0.013 |
103 |
|
S |
6 |
2 |
12013 |
◊ |
O |
x,y,z |
1_555 |
5 |
1 |
13335 |
52.5 |
-0.4 |
0.449 |
1 |
0 |
0 |
0.013 |
| Average: |
53.7 |
-0.4 |
0.447 |
1 |
0 |
0 |
0.013 |
| 57 |
104 |
|
U |
5 |
2 |
12905 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
11 |
4 |
12485 |
53.7 |
0.2 |
0.660 |
0 |
0 |
0 |
0.000 |
| 58 |
105 |
|
H |
5 |
2 |
13224 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
13154 |
35.4 |
0.1 |
0.642 |
0 |
0 |
0 |
0.000 |
106 |
|
V |
5 |
2 |
13232 |
◊ |
P |
x,y,z |
1_555 |
7 |
3 |
13146 |
34.5 |
0.0 |
0.607 |
0 |
0 |
0 |
0.000 |
| Average: |
35.0 |
0.1 |
0.624 |
0 |
0 |
0 |
0.000 |
| 59 |
107 |
|
R |
4 |
2 |
12880 |
◊ |
O |
x,y,z |
1_555 |
3 |
1 |
13335 |
34.5 |
0.8 |
0.792 |
1 |
0 |
0 |
0.000 |
108 |
|
D |
3 |
2 |
12893 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
13363 |
32.9 |
0.8 |
0.807 |
1 |
0 |
0 |
0.000 |
| Average: |
33.7 |
0.8 |
0.800 |
1 |
0 |
0 |
0.000 |
| 60 |
109 |
|
[1G5]V:301 |
2 |
1 |
833 |
◊ |
L |
x,y,z |
1_555 |
3 |
1 |
11905 |
12.1 |
0.0 |
0.546 |
0 |
0 |
0 |
0.001 |
110 |
|
[1G5]H:301 |
2 |
1 |
838 |
◊ |
Z |
x,y,z |
1_555 |
2 |
1 |
11918 |
4.5 |
-0.0 |
0.554 |
0 |
0 |
0 |
0.001 |
| Average: |
8.3 |
-0.0 |
0.550 |
0 |
0 |
0 |
0.001 |
| 61 |
111 |
|
S |
1 |
1 |
12013 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
13142 |
2.1 |
0.0 |
0.567 |
0 |
0 |
0 |
0.000 |
|