NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
645103 |
6q8l   |
34337 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ACE 0 1H1 ACE 0 -10.779 -5.922 -0.175
2 H2 ACE 0 2H1 ACE 0 -12.055 -4.697 -0.391
3 H3 ACE 0 3H1 ACE 0 -10.910 -5.014 -1.713
4 H ARG 1 H ARG 1 -8.753 -4.403 -1.396
5 HA ARG 1 HA ARG 1 -8.426 -1.873 0.258
6 HB2 ARG 1 1HB ARG 1 -6.740 -4.348 0.647
7 HB3 ARG 1 2HB ARG 1 -5.859 -2.849 0.579
8 HG2 ARG 1 1HG ARG 1 -6.814 -1.918 2.518
9 HG3 ARG 1 2HG ARG 1 -8.335 -2.739 2.316
10 HD2 ARG 1 1HD ARG 1 -7.071 -4.989 2.937
11 HD3 ARG 1 2HD ARG 1 -5.726 -3.960 3.390
12 HE ARG 1 HE ARG 1 -6.906 -3.330 5.393
13 HH11 ARG 1 1HH1 ARG 1 -10.137 -3.806 6.335
14 HH12 ARG 1 2HH1 ARG 1 -8.449 -3.291 6.785
15 HH21 ARG 1 1HH2 ARG 1 -10.608 -4.447 4.357
16 HH22 ARG 1 2HH2 ARG 1 -9.268 -4.484 3.118
17 HA PRO 2 HA PRO 2 -6.847 -0.970 -4.062
18 HB2 PRO 2 1HB PRO 2 -7.911 1.544 -4.303
19 HB3 PRO 2 2HB PRO 2 -8.896 0.087 -4.516
20 HG2 PRO 2 1HG PRO 2 -8.642 1.793 -1.983
21 HG3 PRO 2 2HG PRO 2 -10.143 1.300 -2.786
22 HD2 PRO 2 1HD PRO 2 -9.091 -0.074 -0.642
23 HD3 PRO 2 2HD PRO 2 -9.976 -0.955 -1.924
24 H LEU 3 H LEU 3 -6.680 0.798 -1.051
25 HA LEU 3 HA LEU 3 -4.081 2.233 -1.694
26 HB2 LEU 3 1HB LEU 3 -5.601 2.052 0.974
27 HB3 LEU 3 2HB LEU 3 -4.268 3.091 0.623
28 HG LEU 3 HG LEU 3 -6.205 3.727 -1.437
29 HD11 LEU 3 1HD1 LEU 3 -8.302 4.111 -0.351
30 HD12 LEU 3 2HD1 LEU 3 -7.867 2.462 0.130
31 HD13 LEU 3 3HD1 LEU 3 -7.651 3.798 1.278
32 HD21 LEU 3 1HD2 LEU 3 -5.241 5.204 1.073
33 HD22 LEU 3 2HD2 LEU 3 -4.831 5.488 -0.637
34 HD23 LEU 3 3HD2 LEU 3 -6.440 5.920 -0.027
35 H ASP 4 H ASP 4 -3.925 -0.545 -1.946
36 HA ASP 4 HA ASP 4 -2.124 -1.655 0.173
37 HB2 ASP 4 1HB ASP 4 -3.595 -2.986 -1.480
38 HB3 ASP 4 2HB ASP 4 -2.540 -2.475 -2.791
39 H THR 5 H THR 5 -1.757 0.613 -2.370
40 HA THR 5 HA THR 5 1.283 0.537 -2.204
41 HB THR 5 HB THR 5 1.538 0.688 -4.412
42 HG1 THR 5 1HG THR 5 0.837 2.834 -4.456
43 HG21 THR 5 1HG2 THR 5 -0.298 -1.098 -4.447
44 HG22 THR 5 2HG2 THR 5 -1.465 0.185 -4.824
45 HG23 THR 5 3HG2 THR 5 -0.156 -0.173 -5.969
46 H VAL 6 H VAL 6 -0.784 2.175 -0.695
47 HA VAL 6 HA VAL 6 0.604 4.929 -0.830
48 HB VAL 6 HB VAL 6 -2.228 4.003 -0.178
49 HG11 VAL 6 1HG1 VAL 6 -2.894 6.082 0.998
50 HG12 VAL 6 2HG1 VAL 6 -1.856 5.040 1.967
51 HG13 VAL 6 3HG1 VAL 6 -1.176 6.507 1.224
52 HG21 VAL 6 1HG2 VAL 6 -2.214 6.690 -1.249
53 HG22 VAL 6 2HG2 VAL 6 -0.983 5.806 -2.153
54 HG23 VAL 6 3HG2 VAL 6 -2.632 5.178 -2.071
55 H GLN 7 H GLN 7 -0.598 2.619 1.606
56 HA GLN 7 HA GLN 7 1.194 3.737 3.751
57 HB2 GLN 7 1HB GLN 7 -1.007 1.618 3.562
58 HB3 GLN 7 2HB GLN 7 0.229 1.271 4.733
59 HG2 GLN 7 1HG GLN 7 -0.049 3.512 5.806
60 HG3 GLN 7 2HG GLN 7 -1.293 3.949 4.631
61 HE21 GLN 7 1HE2 GLN 7 -1.863 4.151 7.202
62 HE22 GLN 7 2HE2 GLN 7 -3.029 2.808 7.693
63 H ARG 8 H ARG 8 1.462 1.109 1.479
64 HA ARG 8 HA ARG 8 4.327 0.670 2.134
65 HB2 ARG 8 1HB ARG 8 4.243 -1.658 2.874
66 HB3 ARG 8 2HB ARG 8 3.540 -0.555 4.022
67 HG2 ARG 8 1HG ARG 8 1.598 -1.710 4.122
68 HG3 ARG 8 2HG ARG 8 1.298 -1.461 2.424
69 HD2 ARG 8 1HD ARG 8 2.547 -3.514 1.771
70 HD3 ARG 8 2HD ARG 8 3.137 -3.733 3.408
71 HE ARG 8 HE ARG 8 1.048 -4.715 4.052
72 HH11 ARG 8 1HH1 ARG 8 -1.868 -4.968 2.321
73 HH12 ARG 8 2HH1 ARG 8 -0.888 -5.461 3.792
74 HH21 ARG 8 1HH2 ARG 8 -1.014 -3.896 0.736
75 HH22 ARG 8 2HH2 ARG 8 0.548 -2.990 1.056
76 HA PRO 9 HA PRO 9 3.053 -0.549 -2.269
77 HB2 PRO 9 1HB PRO 9 4.920 0.977 -3.646
78 HB3 PRO 9 2HB PRO 9 3.457 1.697 -2.969
79 HG2 PRO 9 1HG PRO 9 6.238 1.596 -1.664
80 HG3 PRO 9 2HG PRO 9 5.250 3.045 -1.972
81 HD2 PRO 9 1HD PRO 9 5.218 1.794 0.466
82 HD3 PRO 9 2HD PRO 9 3.695 2.473 -0.194
83 H LYS 10 H LYS 10 4.640 -1.297 -4.042
84 HA LYS 10 HA LYS 10 6.395 -3.495 -2.889
85 HB2 LYS 10 1HB LYS 10 5.633 -2.734 -5.756
86 HB3 LYS 10 2HB LYS 10 6.582 -4.138 -5.342
87 HG2 LYS 10 1HG LYS 10 4.806 -5.349 -4.361
88 HG3 LYS 10 2HG LYS 10 3.858 -3.955 -3.953
89 HD2 LYS 10 1HD LYS 10 2.714 -3.884 -5.898
90 HD3 LYS 10 2HD LYS 10 4.145 -3.920 -6.873
91 HE2 LYS 10 1HE LYS 10 3.977 -6.648 -5.990
92 HE3 LYS 10 2HE LYS 10 2.281 -6.176 -6.039
93 HZ1 LYS 10 1HZ LYS 10 2.665 -5.392 -8.400
94 HZ2 LYS 10 2HZ LYS 10 4.246 -5.807 -8.310
95 HZ3 LYS 10 3HZ LYS 10 3.096 -6.980 -8.278
96 H GLY 11 H GLY 11 7.283 -0.939 -2.328
97 HA2 GLY 11 1HA GLY 11 10.184 -1.174 -3.337
98 HA3 GLY 11 2HA GLY 11 9.471 0.423 -3.195
99 H TYR 12 H TYR 12 8.497 -1.793 -0.744
100 HA TYR 12 HA TYR 12 10.590 -0.751 1.254
101 HB2 TYR 12 1HB TYR 12 7.574 -0.373 1.301
102 HB3 TYR 12 2HB TYR 12 8.174 -1.089 2.750
103 HD1 TYR 12 1HD TYR 12 9.090 1.808 0.455
104 HD2 TYR 12 2HD TYR 12 8.831 0.341 4.493
105 HE1 TYR 12 1HE TYR 12 9.763 4.011 1.309
106 HE2 TYR 12 2HE TYR 12 9.489 2.559 5.331
107 HH TYR 12 HH TYR 12 10.221 5.232 3.118
108 HN1 NH2 13 HN1 NH2 13 9.124 -4.494 2.053
109 HN2 NH2 13 HN2 NH2 13 7.894 -3.192 1.610
Start of MODEL 2
1 H1 ACE 0 1H1 ACE 0 -7.585 -6.422 -0.142
2 H2 ACE 0 2H1 ACE 0 -8.767 -6.515 1.202
3 H3 ACE 0 3H1 ACE 0 -9.296 -6.784 -0.476
4 H ARG 1 H ARG 1 -7.029 -4.324 -0.081
5 HA ARG 1 HA ARG 1 -9.198 -2.150 -0.175
6 HB2 ARG 1 1HB ARG 1 -6.503 -2.090 1.319
7 HB3 ARG 1 2HB ARG 1 -7.404 -0.633 0.964
8 HG2 ARG 1 1HG ARG 1 -9.344 -1.302 2.291
9 HG3 ARG 1 2HG ARG 1 -8.786 -2.934 2.468
10 HD2 ARG 1 1HD ARG 1 -6.754 -0.934 3.490
11 HD3 ARG 1 2HD ARG 1 -8.334 -0.708 4.249
12 HE ARG 1 HE ARG 1 -7.998 -3.521 4.413
13 HH11 ARG 1 1HH1 ARG 1 -6.055 -3.814 7.169
14 HH12 ARG 1 2HH1 ARG 1 -7.262 -4.554 6.020
15 HH21 ARG 1 1HH2 ARG 1 -5.368 -1.808 6.876
16 HH22 ARG 1 2HH2 ARG 1 -6.042 -0.872 5.454
17 HA PRO 2 HA PRO 2 -7.006 -0.856 -4.023
18 HB2 PRO 2 1HB PRO 2 -7.988 1.677 -4.370
19 HB3 PRO 2 2HB PRO 2 -9.027 0.247 -4.499
20 HG2 PRO 2 1HG PRO 2 -8.666 2.061 -2.057
21 HG3 PRO 2 2HG PRO 2 -10.199 1.597 -2.810
22 HD2 PRO 2 1HD PRO 2 -9.179 0.248 -0.614
23 HD3 PRO 2 2HD PRO 2 -10.114 -0.627 -1.866
24 H LEU 3 H LEU 3 -6.691 0.971 -1.099
25 HA LEU 3 HA LEU 3 -4.080 2.333 -1.848
26 HB2 LEU 3 1HB LEU 3 -5.451 2.235 0.909
27 HB3 LEU 3 2HB LEU 3 -4.162 3.269 0.417
28 HG LEU 3 HG LEU 3 -6.114 3.950 -1.506
29 HD11 LEU 3 1HD1 LEU 3 -8.278 4.130 -0.460
30 HD12 LEU 3 2HD1 LEU 3 -7.765 2.483 -0.052
31 HD13 LEU 3 3HD1 LEU 3 -7.656 3.762 1.169
32 HD21 LEU 3 1HD2 LEU 3 -4.747 5.609 -0.307
33 HD22 LEU 3 2HD2 LEU 3 -6.456 6.045 -0.160
34 HD23 LEU 3 3HD2 LEU 3 -5.609 5.304 1.223
35 H ASP 4 H ASP 4 -3.955 -0.472 -2.072
36 HA ASP 4 HA ASP 4 -2.127 -1.504 0.070
37 HB2 ASP 4 1HB ASP 4 -3.674 -2.784 -1.885
38 HB3 ASP 4 2HB ASP 4 -2.149 -2.724 -2.723
39 H THR 5 H THR 5 -1.742 0.683 -2.457
40 HA THR 5 HA THR 5 1.297 0.567 -2.284
41 HB THR 5 HB THR 5 1.584 0.940 -4.492
42 HG1 THR 5 1HG THR 5 0.718 2.951 -4.615
43 HG21 THR 5 1HG2 THR 5 -1.343 0.064 -4.851
44 HG22 THR 5 2HG2 THR 5 -0.063 -0.042 -6.070
45 HG23 THR 5 3HG2 THR 5 0.003 -1.061 -4.598
46 H VAL 6 H VAL 6 -0.823 2.225 -0.807
47 HA VAL 6 HA VAL 6 0.626 4.955 -0.824
48 HB VAL 6 HB VAL 6 -2.236 4.061 -0.260
49 HG11 VAL 6 1HG1 VAL 6 -1.158 6.545 1.192
50 HG12 VAL 6 2HG1 VAL 6 -2.879 6.143 0.957
51 HG13 VAL 6 3HG1 VAL 6 -1.861 5.086 1.928
52 HG21 VAL 6 1HG2 VAL 6 -2.752 6.259 -1.445
53 HG22 VAL 6 2HG2 VAL 6 -1.008 6.552 -1.604
54 HG23 VAL 6 3HG2 VAL 6 -1.757 5.155 -2.411
55 H GLN 7 H GLN 7 -0.648 2.589 1.486
56 HA GLN 7 HA GLN 7 1.077 3.639 3.738
57 HB2 GLN 7 1HB GLN 7 -1.257 1.714 3.430
58 HB3 GLN 7 2HB GLN 7 -0.063 1.124 4.531
59 HG2 GLN 7 1HG GLN 7 -1.236 3.974 4.743
60 HG3 GLN 7 2HG GLN 7 -1.931 2.581 5.554
61 HE21 GLN 7 1HE2 GLN 7 -0.260 5.120 6.388
62 HE22 GLN 7 2HE2 GLN 7 0.882 4.347 7.606
63 H ARG 8 H ARG 8 1.385 1.103 1.392
64 HA ARG 8 HA ARG 8 4.205 0.564 2.154
65 HB2 ARG 8 1HB ARG 8 4.020 -1.785 2.777
66 HB3 ARG 8 2HB ARG 8 3.249 -0.743 3.942
67 HG2 ARG 8 1HG ARG 8 1.205 -1.738 3.721
68 HG3 ARG 8 2HG ARG 8 1.171 -1.577 1.994
69 HD2 ARG 8 1HD ARG 8 2.405 -3.591 1.535
70 HD3 ARG 8 2HD ARG 8 2.851 -3.863 3.212
71 HE ARG 8 HE ARG 8 0.216 -4.494 1.928
72 HH11 ARG 8 1HH1 ARG 8 -1.334 -5.342 4.820
73 HH12 ARG 8 2HH1 ARG 8 -1.273 -5.370 2.986
74 HH21 ARG 8 1HH2 ARG 8 0.182 -4.245 5.934
75 HH22 ARG 8 2HH2 ARG 8 1.531 -3.506 4.936
76 HA PRO 9 HA PRO 9 3.054 -0.485 -2.342
77 HB2 PRO 9 1HB PRO 9 5.001 1.036 -3.613
78 HB3 PRO 9 2HB PRO 9 3.529 1.765 -2.964
79 HG2 PRO 9 1HG PRO 9 6.260 1.574 -1.558
80 HG3 PRO 9 2HG PRO 9 5.312 3.051 -1.865
81 HD2 PRO 9 1HD PRO 9 5.160 1.748 0.537
82 HD3 PRO 9 2HD PRO 9 3.676 2.467 -0.164
83 H LYS 10 H LYS 10 4.658 -1.227 -4.084
84 HA LYS 10 HA LYS 10 6.369 -3.432 -2.897
85 HB2 LYS 10 1HB LYS 10 4.862 -3.139 -5.397
86 HB3 LYS 10 2HB LYS 10 6.531 -3.222 -5.836
87 HG2 LYS 10 1HG LYS 10 6.489 -5.354 -4.035
88 HG3 LYS 10 2HG LYS 10 4.765 -5.243 -4.377
89 HD2 LYS 10 1HD LYS 10 5.621 -5.175 -6.960
90 HD3 LYS 10 2HD LYS 10 7.124 -5.771 -6.300
91 HE2 LYS 10 1HE LYS 10 6.329 -7.927 -5.861
92 HE3 LYS 10 2HE LYS 10 4.775 -7.376 -5.257
93 HZ1 LYS 10 1HZ LYS 10 4.107 -6.843 -7.625
94 HZ2 LYS 10 2HZ LYS 10 5.511 -7.454 -8.196
95 HZ3 LYS 10 3HZ LYS 10 4.415 -8.447 -7.464
96 H GLY 11 H GLY 11 7.253 -0.917 -2.299
97 HA2 GLY 11 1HA GLY 11 10.188 -1.195 -3.195
98 HA3 GLY 11 2HA GLY 11 9.512 0.412 -3.047
99 H TYR 12 H TYR 12 8.407 -1.835 -0.684
100 HA TYR 12 HA TYR 12 10.490 -0.913 1.388
101 HB2 TYR 12 1HB TYR 12 7.459 -0.539 1.433
102 HB3 TYR 12 2HB TYR 12 8.087 -1.249 2.877
103 HD1 TYR 12 1HD TYR 12 8.185 1.829 0.796
104 HD2 TYR 12 2HD TYR 12 9.578 -0.042 4.411
105 HE1 TYR 12 1HE TYR 12 8.869 4.029 1.689
106 HE2 TYR 12 2HE TYR 12 10.261 2.155 5.277
107 HH TYR 12 HH TYR 12 10.801 4.315 4.545
108 HN1 NH2 13 HN1 NH2 13 8.970 -4.645 2.063
109 HN2 NH2 13 HN2 NH2 13 7.759 -3.321 1.615
Start of MODEL 3
1 H1 ACE 0 1H1 ACE 0 -10.951 -4.967 -1.900
2 H2 ACE 0 2H1 ACE 0 -10.556 -5.913 -0.425
3 H3 ACE 0 3H1 ACE 0 -11.992 -4.858 -0.459
4 H ARG 1 H ARG 1 -8.530 -4.662 -1.070
5 HA ARG 1 HA ARG 1 -8.456 -1.943 0.344
6 HB2 ARG 1 1HB ARG 1 -7.066 -4.192 1.286
7 HB3 ARG 1 2HB ARG 1 -5.842 -3.411 0.324
8 HG2 ARG 1 1HG ARG 1 -6.612 -1.164 1.626
9 HG3 ARG 1 2HG ARG 1 -7.454 -2.281 2.687
10 HD2 ARG 1 1HD ARG 1 -5.043 -3.488 2.930
11 HD3 ARG 1 2HD ARG 1 -4.423 -2.075 2.112
12 HE ARG 1 HE ARG 1 -4.805 -0.716 4.084
13 HH11 ARG 1 1HH1 ARG 1 -6.169 -1.567 7.083
14 HH12 ARG 1 2HH1 ARG 1 -5.225 -0.363 6.097
15 HH21 ARG 1 1HH2 ARG 1 -6.880 -3.393 6.223
16 HH22 ARG 1 2HH2 ARG 1 -6.511 -3.706 4.456
17 HA PRO 2 HA PRO 2 -6.866 -1.004 -3.992
18 HB2 PRO 2 1HB PRO 2 -8.003 1.467 -4.298
19 HB3 PRO 2 2HB PRO 2 -8.944 -0.027 -4.475
20 HG2 PRO 2 1HG PRO 2 -8.725 1.748 -2.011
21 HG3 PRO 2 2HG PRO 2 -10.224 1.193 -2.764
22 HD2 PRO 2 1HD PRO 2 -9.085 -0.073 -0.575
23 HD3 PRO 2 2HD PRO 2 -9.985 -1.018 -1.799
24 H LEU 3 H LEU 3 -6.701 0.803 -0.996
25 HA LEU 3 HA LEU 3 -4.132 2.258 -1.709
26 HB2 LEU 3 1HB LEU 3 -5.444 2.103 1.062
27 HB3 LEU 3 2HB LEU 3 -4.227 3.195 0.522
28 HG LEU 3 HG LEU 3 -6.287 3.796 -1.311
29 HD11 LEU 3 1HD1 LEU 3 -7.614 2.519 1.057
30 HD12 LEU 3 2HD1 LEU 3 -8.135 4.194 0.852
31 HD13 LEU 3 3HD1 LEU 3 -8.300 3.070 -0.476
32 HD21 LEU 3 1HD2 LEU 3 -5.809 5.212 1.376
33 HD22 LEU 3 2HD2 LEU 3 -4.857 5.454 -0.114
34 HD23 LEU 3 3HD2 LEU 3 -6.573 5.894 -0.084
35 H ASP 4 H ASP 4 -3.908 -0.530 -1.969
36 HA ASP 4 HA ASP 4 -2.100 -1.536 0.220
37 HB2 ASP 4 1HB ASP 4 -3.629 -2.902 -1.593
38 HB3 ASP 4 2HB ASP 4 -2.215 -2.733 -2.607
39 H THR 5 H THR 5 -1.736 0.653 -2.278
40 HA THR 5 HA THR 5 1.307 0.522 -2.193
41 HB THR 5 HB THR 5 1.522 0.603 -4.409
42 HG1 THR 5 1HG THR 5 0.868 2.843 -4.281
43 HG21 THR 5 1HG2 THR 5 -0.306 -0.008 -5.990
44 HG22 THR 5 2HG2 THR 5 -0.371 -1.047 -4.538
45 HG23 THR 5 3HG2 THR 5 -1.522 0.293 -4.731
46 H VAL 6 H VAL 6 -0.774 2.175 -0.698
47 HA VAL 6 HA VAL 6 0.607 4.930 -0.862
48 HB VAL 6 HB VAL 6 -2.231 4.011 -0.225
49 HG11 VAL 6 1HG1 VAL 6 -2.853 6.157 0.944
50 HG12 VAL 6 2HG1 VAL 6 -1.898 5.053 1.930
51 HG13 VAL 6 3HG1 VAL 6 -1.122 6.484 1.215
52 HG21 VAL 6 1HG2 VAL 6 -1.676 5.096 -2.410
53 HG22 VAL 6 2HG2 VAL 6 -2.830 6.078 -1.487
54 HG23 VAL 6 3HG2 VAL 6 -1.118 6.559 -1.561
55 H GLN 7 H GLN 7 -0.603 2.640 1.581
56 HA GLN 7 HA GLN 7 1.196 3.752 3.722
57 HB2 GLN 7 1HB GLN 7 -1.044 1.677 3.550
58 HB3 GLN 7 2HB GLN 7 0.228 1.252 4.644
59 HG2 GLN 7 1HG GLN 7 -0.039 3.741 5.631
60 HG3 GLN 7 2HG GLN 7 -1.548 3.760 4.743
61 HE21 GLN 7 1HE2 GLN 7 0.281 1.747 7.035
62 HE22 GLN 7 2HE2 GLN 7 -1.212 1.269 8.008
63 H ARG 8 H ARG 8 1.450 1.123 1.443
64 HA ARG 8 HA ARG 8 4.307 0.638 2.138
65 HB2 ARG 8 1HB ARG 8 4.163 -1.681 2.846
66 HB3 ARG 8 2HB ARG 8 3.398 -0.611 3.986
67 HG2 ARG 8 1HG ARG 8 1.404 -1.694 3.886
68 HG3 ARG 8 2HG ARG 8 1.271 -1.522 2.162
69 HD2 ARG 8 1HD ARG 8 2.504 -3.530 1.644
70 HD3 ARG 8 2HD ARG 8 3.073 -3.764 3.285
71 HE ARG 8 HE ARG 8 0.372 -4.481 2.216
72 HH11 ARG 8 1HH1 ARG 8 -0.889 -5.373 5.256
73 HH12 ARG 8 2HH1 ARG 8 -1.018 -5.421 3.433
74 HH21 ARG 8 1HH2 ARG 8 0.729 -4.318 6.219
75 HH22 ARG 8 2HH2 ARG 8 1.968 -3.524 5.126
76 HA PRO 9 HA PRO 9 3.076 -0.530 -2.302
77 HB2 PRO 9 1HB PRO 9 4.979 0.976 -3.648
78 HB3 PRO 9 2HB PRO 9 3.514 1.707 -2.986
79 HG2 PRO 9 1HG PRO 9 6.277 1.580 -1.643
80 HG3 PRO 9 2HG PRO 9 5.302 3.038 -1.957
81 HD2 PRO 9 1HD PRO 9 5.231 1.776 0.475
82 HD3 PRO 9 2HD PRO 9 3.722 2.471 -0.201
83 H LYS 10 H LYS 10 4.627 -1.332 -4.060
84 HA LYS 10 HA LYS 10 6.457 -3.438 -2.876
85 HB2 LYS 10 1HB LYS 10 5.019 -3.074 -5.508
86 HB3 LYS 10 2HB LYS 10 6.658 -3.559 -5.718
87 HG2 LYS 10 1HG LYS 10 5.968 -5.385 -3.726
88 HG3 LYS 10 2HG LYS 10 4.368 -5.053 -4.375
89 HD2 LYS 10 1HD LYS 10 5.312 -5.591 -6.730
90 HD3 LYS 10 2HD LYS 10 6.870 -5.946 -5.972
91 HE2 LYS 10 1HE LYS 10 5.762 -7.777 -4.557
92 HE3 LYS 10 2HE LYS 10 4.215 -7.437 -5.342
93 HZ1 LYS 10 1HZ LYS 10 5.318 -7.954 -7.543
94 HZ2 LYS 10 2HZ LYS 10 6.726 -8.312 -6.789
95 HZ3 LYS 10 3HZ LYS 10 5.404 -9.261 -6.546
96 H GLY 11 H GLY 11 7.276 -0.930 -2.314
97 HA2 GLY 11 1HA GLY 11 10.185 -1.161 -3.292
98 HA3 GLY 11 2HA GLY 11 9.484 0.439 -3.159
99 H TYR 12 H TYR 12 8.490 -1.795 -0.718
100 HA TYR 12 HA TYR 12 10.596 -0.777 1.277
101 HB2 TYR 12 1HB TYR 12 7.571 -0.425 1.368
102 HB3 TYR 12 2HB TYR 12 8.218 -1.102 2.817
103 HD1 TYR 12 1HD TYR 12 9.786 0.120 4.275
104 HD2 TYR 12 2HD TYR 12 8.219 1.949 0.712
105 HE1 TYR 12 1HE TYR 12 10.428 2.342 5.123
106 HE2 TYR 12 2HE TYR 12 8.861 4.164 1.576
107 HH TYR 12 HH TYR 12 9.635 5.299 3.353
108 HN1 NH2 13 HN1 NH2 13 9.126 -4.513 2.078
109 HN2 NH2 13 HN2 NH2 13 7.896 -3.209 1.636
Start of MODEL 4
1 H1 ACE 0 1H1 ACE 0 -8.452 -7.163 -0.834
2 H2 ACE 0 2H1 ACE 0 -6.936 -6.631 -1.603
3 H3 ACE 0 3H1 ACE 0 -7.089 -6.626 0.182
4 H ARG 1 H ARG 1 -6.556 -4.397 0.105
5 HA ARG 1 HA ARG 1 -8.951 -2.572 -0.317
6 HB2 ARG 1 1HB ARG 1 -6.274 -2.085 1.151
7 HB3 ARG 1 2HB ARG 1 -7.434 -0.839 0.869
8 HG2 ARG 1 1HG ARG 1 -8.239 -1.342 2.901
9 HG3 ARG 1 2HG ARG 1 -9.226 -2.489 2.058
10 HD2 ARG 1 1HD ARG 1 -6.453 -3.475 2.939
11 HD3 ARG 1 2HD ARG 1 -7.545 -3.001 4.242
12 HE ARG 1 HE ARG 1 -9.060 -4.764 2.486
13 HH11 ARG 1 1HH1 ARG 1 -8.337 -7.665 4.125
14 HH12 ARG 1 2HH1 ARG 1 -9.444 -6.758 2.999
15 HH21 ARG 1 1HH2 ARG 1 -6.637 -6.721 5.004
16 HH22 ARG 1 2HH2 ARG 1 -6.318 -4.966 4.592
17 HA PRO 2 HA PRO 2 -7.110 -0.570 -4.038
18 HB2 PRO 2 1HB PRO 2 -8.222 1.939 -3.959
19 HB3 PRO 2 2HB PRO 2 -9.195 0.486 -4.244
20 HG2 PRO 2 1HG PRO 2 -8.776 1.932 -1.577
21 HG3 PRO 2 2HG PRO 2 -10.329 1.506 -2.315
22 HD2 PRO 2 1HD PRO 2 -9.143 -0.087 -0.408
23 HD3 PRO 2 2HD PRO 2 -10.069 -0.833 -1.741
24 H LEU 3 H LEU 3 -6.724 0.950 -0.913
25 HA LEU 3 HA LEU 3 -4.158 2.410 -1.699
26 HB2 LEU 3 1HB LEU 3 -5.522 2.364 1.053
27 HB3 LEU 3 2HB LEU 3 -4.239 3.396 0.536
28 HG LEU 3 HG LEU 3 -6.278 3.941 -1.398
29 HD11 LEU 3 1HD1 LEU 3 -7.800 2.615 0.371
30 HD12 LEU 3 2HD1 LEU 3 -7.726 4.124 1.297
31 HD13 LEU 3 3HD1 LEU 3 -8.379 4.122 -0.359
32 HD21 LEU 3 1HD2 LEU 3 -5.372 5.483 1.097
33 HD22 LEU 3 2HD2 LEU 3 -4.923 5.741 -0.608
34 HD23 LEU 3 3HD2 LEU 3 -6.561 6.139 -0.054
35 H ASP 4 H ASP 4 -4.054 -0.411 -1.871
36 HA ASP 4 HA ASP 4 -2.228 -1.398 0.300
37 HB2 ASP 4 1HB ASP 4 -3.790 -2.768 -1.462
38 HB3 ASP 4 2HB ASP 4 -2.400 -2.628 -2.512
39 H THR 5 H THR 5 -1.836 0.739 -2.290
40 HA THR 5 HA THR 5 1.206 0.525 -2.196
41 HB THR 5 HB THR 5 1.446 0.956 -4.449
42 HG1 THR 5 1HG THR 5 0.350 2.781 -4.729
43 HG21 THR 5 1HG2 THR 5 0.203 -1.257 -4.371
44 HG22 THR 5 2HG2 THR 5 -1.324 -0.379 -4.591
45 HG23 THR 5 3HG2 THR 5 -0.114 -0.348 -5.881
46 H VAL 6 H VAL 6 -0.794 2.276 -0.716
47 HA VAL 6 HA VAL 6 0.650 4.997 -0.951
48 HB VAL 6 HB VAL 6 -2.191 4.133 -0.273
49 HG11 VAL 6 1HG1 VAL 6 -1.120 6.667 1.068
50 HG12 VAL 6 2HG1 VAL 6 -2.841 6.242 0.861
51 HG13 VAL 6 3HG1 VAL 6 -1.800 5.228 1.859
52 HG21 VAL 6 1HG2 VAL 6 -1.836 6.865 -1.415
53 HG22 VAL 6 2HG2 VAL 6 -1.037 5.631 -2.396
54 HG23 VAL 6 3HG2 VAL 6 -2.756 5.472 -2.018
55 H GLN 7 H GLN 7 -0.601 2.795 1.538
56 HA GLN 7 HA GLN 7 1.203 3.905 3.676
57 HB2 GLN 7 1HB GLN 7 -1.155 2.006 3.495
58 HB3 GLN 7 2HB GLN 7 0.057 1.401 4.560
59 HG2 GLN 7 1HG GLN 7 -0.907 4.322 4.786
60 HG3 GLN 7 2HG GLN 7 -1.813 2.999 5.501
61 HE21 GLN 7 1HE2 GLN 7 -0.908 4.961 7.115
62 HE22 GLN 7 2HE2 GLN 7 0.430 4.248 8.169
63 H ARG 8 H ARG 8 1.369 1.210 1.465
64 HA ARG 8 HA ARG 8 4.224 0.684 2.143
65 HB2 ARG 8 1HB ARG 8 4.039 -1.577 2.957
66 HB3 ARG 8 2HB ARG 8 3.278 -0.458 4.044
67 HG2 ARG 8 1HG ARG 8 1.315 -1.610 4.042
68 HG3 ARG 8 2HG ARG 8 1.116 -1.403 2.310
69 HD2 ARG 8 1HD ARG 8 2.488 -3.398 1.794
70 HD3 ARG 8 2HD ARG 8 2.933 -3.563 3.507
71 HE ARG 8 HE ARG 8 -0.041 -3.654 2.852
72 HH11 ARG 8 1HH1 ARG 8 -0.267 -6.892 3.875
73 HH12 ARG 8 2HH1 ARG 8 -1.109 -5.345 3.391
74 HH21 ARG 8 1HH2 ARG 8 1.874 -7.025 3.871
75 HH22 ARG 8 2HH2 ARG 8 2.811 -5.529 3.385
76 HA PRO 9 HA PRO 9 2.941 -0.566 -2.259
77 HB2 PRO 9 1HB PRO 9 4.868 0.860 -3.658
78 HB3 PRO 9 2HB PRO 9 3.430 1.647 -3.000
79 HG2 PRO 9 1HG PRO 9 6.200 1.475 -1.681
80 HG3 PRO 9 2HG PRO 9 5.262 2.951 -2.021
81 HD2 PRO 9 1HD PRO 9 5.178 1.749 0.444
82 HD3 PRO 9 2HD PRO 9 3.683 2.470 -0.237
83 H LYS 10 H LYS 10 4.471 -1.432 -4.010
84 HA LYS 10 HA LYS 10 6.217 -3.574 -2.775
85 HB2 LYS 10 1HB LYS 10 4.676 -3.323 -5.307
86 HB3 LYS 10 2HB LYS 10 6.335 -3.619 -5.679
87 HG2 LYS 10 1HG LYS 10 6.096 -5.565 -3.758
88 HG3 LYS 10 2HG LYS 10 4.390 -5.350 -4.044
89 HD2 LYS 10 1HD LYS 10 5.988 -5.557 -6.608
90 HD3 LYS 10 2HD LYS 10 6.352 -6.876 -5.552
91 HE2 LYS 10 1HE LYS 10 4.264 -7.902 -5.713
92 HE3 LYS 10 2HE LYS 10 3.360 -6.395 -5.812
93 HZ1 LYS 10 1HZ LYS 10 4.191 -6.078 -8.122
94 HZ2 LYS 10 2HZ LYS 10 5.057 -7.465 -8.071
95 HZ3 LYS 10 3HZ LYS 10 3.408 -7.520 -8.032
96 H GLY 11 H GLY 11 7.138 -1.062 -2.307
97 HA2 GLY 11 1HA GLY 11 10.030 -1.413 -3.308
98 HA3 GLY 11 2HA GLY 11 9.375 0.209 -3.211
99 H TYR 12 H TYR 12 8.354 -1.938 -0.707
100 HA TYR 12 HA TYR 12 10.489 -0.911 1.253
101 HB2 TYR 12 1HB TYR 12 7.481 -0.461 1.323
102 HB3 TYR 12 2HB TYR 12 8.083 -1.149 2.785
103 HD1 TYR 12 1HD TYR 12 8.592 1.787 0.484
104 HD2 TYR 12 2HD TYR 12 9.292 0.147 4.398
105 HE1 TYR 12 1HE TYR 12 9.365 3.986 1.279
106 HE2 TYR 12 2HE TYR 12 10.054 2.352 5.178
107 HH TYR 12 HH TYR 12 10.550 5.015 2.966
108 HN1 NH2 13 HN1 NH2 13 8.936 -4.594 2.148
109 HN2 NH2 13 HN2 NH2 13 7.736 -3.272 1.679
Start of MODEL 5
1 H1 ACE 0 1H1 ACE 0 -11.651 -3.597 -1.569
2 H2 ACE 0 2H1 ACE 0 -11.116 -4.852 -2.708
3 H3 ACE 0 3H1 ACE 0 -11.326 -5.264 -0.986
4 H ARG 1 H ARG 1 -10.171 -3.059 0.100
5 HA ARG 1 HA ARG 1 -8.157 -1.936 0.673
6 HB2 ARG 1 1HB ARG 1 -6.669 -4.513 0.011
7 HB3 ARG 1 2HB ARG 1 -6.156 -3.214 1.045
8 HG2 ARG 1 1HG ARG 1 -6.827 -4.791 2.606
9 HG3 ARG 1 2HG ARG 1 -8.220 -3.729 2.578
10 HD2 ARG 1 1HD ARG 1 -9.628 -5.349 1.461
11 HD3 ARG 1 2HD ARG 1 -8.295 -6.065 0.606
12 HE ARG 1 HE ARG 1 -7.950 -7.631 2.329
13 HH11 ARG 1 1HH1 ARG 1 -9.113 -7.815 5.509
14 HH12 ARG 1 2HH1 ARG 1 -8.182 -8.577 4.141
15 HH21 ARG 1 1HH2 ARG 1 -10.010 -5.874 5.276
16 HH22 ARG 1 2HH2 ARG 1 -9.805 -5.032 3.660
17 HA PRO 2 HA PRO 2 -6.860 -1.055 -3.832
18 HB2 PRO 2 1HB PRO 2 -8.005 1.405 -4.226
19 HB3 PRO 2 2HB PRO 2 -8.941 -0.099 -4.316
20 HG2 PRO 2 1HG PRO 2 -8.714 1.792 -1.922
21 HG3 PRO 2 2HG PRO 2 -10.206 1.184 -2.658
22 HD2 PRO 2 1HD PRO 2 -9.066 -0.027 -0.434
23 HD3 PRO 2 2HD PRO 2 -9.952 -0.979 -1.665
24 H LEU 3 H LEU 3 -6.641 0.786 -0.926
25 HA LEU 3 HA LEU 3 -4.065 2.240 -1.630
26 HB2 LEU 3 1HB LEU 3 -5.566 2.071 1.058
27 HB3 LEU 3 2HB LEU 3 -4.242 3.116 0.691
28 HG LEU 3 HG LEU 3 -6.163 3.758 -1.356
29 HD11 LEU 3 1HD1 LEU 3 -8.261 4.268 -0.074
30 HD12 LEU 3 2HD1 LEU 3 -7.923 2.526 -0.024
31 HD13 LEU 3 3HD1 LEU 3 -7.574 3.524 1.393
32 HD21 LEU 3 1HD2 LEU 3 -5.860 5.398 1.222
33 HD22 LEU 3 2HD2 LEU 3 -4.591 5.322 -0.024
34 HD23 LEU 3 3HD2 LEU 3 -6.190 5.948 -0.443
35 H ASP 4 H ASP 4 -3.948 -0.625 -1.808
36 HA ASP 4 HA ASP 4 -2.085 -1.567 0.355
37 HB2 ASP 4 1HB ASP 4 -3.615 -2.991 -1.389
38 HB3 ASP 4 2HB ASP 4 -2.243 -2.805 -2.456
39 H THR 5 H THR 5 -1.778 0.565 -2.229
40 HA THR 5 HA THR 5 1.263 0.432 -2.205
41 HB THR 5 HB THR 5 1.452 0.664 -4.415
42 HG1 THR 5 1HG THR 5 0.478 2.132 -5.584
43 HG21 THR 5 1HG2 THR 5 -0.311 -1.227 -4.353
44 HG22 THR 5 2HG2 THR 5 -1.537 -0.001 -4.722
45 HG23 THR 5 3HG2 THR 5 -0.248 -0.335 -5.899
46 H VAL 6 H VAL 6 -0.862 2.181 -0.755
47 HA VAL 6 HA VAL 6 0.576 4.898 -0.958
48 HB VAL 6 HB VAL 6 -2.259 4.037 -0.209
49 HG11 VAL 6 1HG1 VAL 6 -1.030 6.513 1.114
50 HG12 VAL 6 2HG1 VAL 6 -2.779 6.273 0.881
51 HG13 VAL 6 3HG1 VAL 6 -1.866 5.139 1.874
52 HG21 VAL 6 1HG2 VAL 6 -1.043 6.354 -1.837
53 HG22 VAL 6 2HG2 VAL 6 -1.973 4.959 -2.429
54 HG23 VAL 6 3HG2 VAL 6 -2.779 6.224 -1.485
55 H GLN 7 H GLN 7 -0.595 2.663 1.548
56 HA GLN 7 HA GLN 7 1.214 3.849 3.639
57 HB2 GLN 7 1HB GLN 7 -1.076 1.856 3.548
58 HB3 GLN 7 2HB GLN 7 0.171 1.363 4.637
59 HG2 GLN 7 1HG GLN 7 -1.038 4.212 4.725
60 HG3 GLN 7 2HG GLN 7 -1.714 2.853 5.599
61 HE21 GLN 7 1HE2 GLN 7 0.667 5.289 5.789
62 HE22 GLN 7 2HE2 GLN 7 1.509 4.580 7.266
63 H ARG 8 H ARG 8 1.443 1.151 1.457
64 HA ARG 8 HA ARG 8 4.311 0.707 2.131
65 HB2 ARG 8 1HB ARG 8 4.193 -1.557 2.958
66 HB3 ARG 8 2HB ARG 8 3.407 -0.454 4.041
67 HG2 ARG 8 1HG ARG 8 1.476 -1.664 4.056
68 HG3 ARG 8 2HG ARG 8 1.263 -1.464 2.323
69 HD2 ARG 8 1HD ARG 8 2.716 -3.411 1.816
70 HD3 ARG 8 2HD ARG 8 3.119 -3.587 3.541
71 HE ARG 8 HE ARG 8 0.164 -3.708 2.958
72 HH11 ARG 8 1HH1 ARG 8 0.018 -7.058 3.532
73 HH12 ARG 8 2HH1 ARG 8 -0.861 -5.471 3.326
74 HH21 ARG 8 1HH2 ARG 8 2.156 -7.162 3.346
75 HH22 ARG 8 2HH2 ARG 8 3.049 -5.598 3.007
76 HA PRO 9 HA PRO 9 3.044 -0.592 -2.260
77 HB2 PRO 9 1HB PRO 9 4.926 0.886 -3.675
78 HB3 PRO 9 2HB PRO 9 3.465 1.623 -3.022
79 HG2 PRO 9 1HG PRO 9 6.240 1.554 -1.705
80 HG3 PRO 9 2HG PRO 9 5.250 2.995 -2.048
81 HD2 PRO 9 1HD PRO 9 5.217 1.804 0.421
82 HD3 PRO 9 2HD PRO 9 3.695 2.466 -0.258
83 H LYS 10 H LYS 10 4.591 -1.403 -4.030
84 HA LYS 10 HA LYS 10 6.417 -3.488 -2.818
85 HB2 LYS 10 1HB LYS 10 4.887 -3.252 -5.368
86 HB3 LYS 10 2HB LYS 10 6.551 -3.555 -5.722
87 HG2 LYS 10 1HG LYS 10 6.262 -5.471 -3.762
88 HG3 LYS 10 2HG LYS 10 4.560 -5.236 -4.136
89 HD2 LYS 10 1HD LYS 10 5.595 -5.513 -6.721
90 HD3 LYS 10 2HD LYS 10 6.856 -6.346 -5.848
91 HE2 LYS 10 1HE LYS 10 3.825 -7.017 -5.865
92 HE3 LYS 10 2HE LYS 10 5.078 -7.893 -6.740
93 HZ1 LYS 10 1HZ LYS 10 6.099 -8.523 -4.546
94 HZ2 LYS 10 2HZ LYS 10 4.958 -7.681 -3.731
95 HZ3 LYS 10 3HZ LYS 10 4.528 -9.026 -4.573
96 H GLY 11 H GLY 11 7.254 -0.943 -2.347
97 HA2 GLY 11 1HA GLY 11 10.155 -1.212 -3.354
98 HA3 GLY 11 2HA GLY 11 9.452 0.388 -3.247
99 H TYR 12 H TYR 12 8.497 -1.782 -0.739
100 HA TYR 12 HA TYR 12 10.620 -0.699 1.206
101 HB2 TYR 12 1HB TYR 12 7.600 -0.337 1.297
102 HB3 TYR 12 2HB TYR 12 8.240 -0.995 2.759
103 HD1 TYR 12 1HD TYR 12 8.847 1.878 0.365
104 HD2 TYR 12 2HD TYR 12 9.187 0.429 4.402
105 HE1 TYR 12 1HE TYR 12 9.559 4.115 1.124
106 HE2 TYR 12 2HE TYR 12 9.888 2.660 5.140
107 HH TYR 12 HH TYR 12 10.615 4.679 4.441
108 HN1 NH2 13 HN1 NH2 13 9.174 -4.419 2.120
109 HN2 NH2 13 HN2 NH2 13 7.936 -3.134 1.649
Start of MODEL 6
1 H1 ACE 0 1H1 ACE 0 -8.937 -6.971 -1.243
2 H2 ACE 0 2H1 ACE 0 -7.378 -6.592 -0.467
3 H3 ACE 0 3H1 ACE 0 -8.844 -6.825 0.530
4 H ARG 1 H ARG 1 -6.927 -4.487 -0.259
5 HA ARG 1 HA ARG 1 -9.155 -2.369 -0.398
6 HB2 ARG 1 1HB ARG 1 -6.465 -2.222 1.085
7 HB3 ARG 1 2HB ARG 1 -7.568 -0.877 0.930
8 HG2 ARG 1 1HG ARG 1 -9.335 -1.943 2.223
9 HG3 ARG 1 2HG ARG 1 -8.558 -3.504 2.214
10 HD2 ARG 1 1HD ARG 1 -7.416 -1.015 3.652
11 HD3 ARG 1 2HD ARG 1 -8.390 -2.297 4.405
12 HE ARG 1 HE ARG 1 -6.077 -3.473 2.972
13 HH11 ARG 1 1HH1 ARG 1 -4.120 -3.863 5.717
14 HH12 ARG 1 2HH1 ARG 1 -4.445 -4.250 3.964
15 HH21 ARG 1 1HH2 ARG 1 -5.421 -2.557 6.809
16 HH22 ARG 1 2HH2 ARG 1 -6.865 -1.853 5.932
17 HA PRO 2 HA PRO 2 -6.871 -0.757 -4.080
18 HB2 PRO 2 1HB PRO 2 -7.924 1.765 -4.301
19 HB3 PRO 2 2HB PRO 2 -8.901 0.311 -4.573
20 HG2 PRO 2 1HG PRO 2 -8.725 1.970 -2.006
21 HG3 PRO 2 2HG PRO 2 -10.201 1.485 -2.858
22 HD2 PRO 2 1HD PRO 2 -9.198 0.052 -0.702
23 HD3 PRO 2 2HD PRO 2 -10.057 -0.778 -2.035
24 H LEU 3 H LEU 3 -6.749 0.929 -1.025
25 HA LEU 3 HA LEU 3 -4.140 2.375 -1.615
26 HB2 LEU 3 1HB LEU 3 -5.630 2.193 1.066
27 HB3 LEU 3 2HB LEU 3 -4.337 3.263 0.652
28 HG LEU 3 HG LEU 3 -6.295 3.898 -1.335
29 HD11 LEU 3 1HD1 LEU 3 -7.955 2.483 0.043
30 HD12 LEU 3 2HD1 LEU 3 -7.763 3.635 1.374
31 HD13 LEU 3 3HD1 LEU 3 -8.435 4.174 -0.188
32 HD21 LEU 3 1HD2 LEU 3 -4.995 5.652 -0.332
33 HD22 LEU 3 2HD2 LEU 3 -6.672 6.001 0.124
34 HD23 LEU 3 3HD2 LEU 3 -5.562 5.281 1.316
35 H ASP 4 H ASP 4 -3.962 -0.413 -1.886
36 HA ASP 4 HA ASP 4 -2.184 -1.429 0.334
37 HB2 ASP 4 1HB ASP 4 -3.719 -2.831 -1.370
38 HB3 ASP 4 2HB ASP 4 -2.402 -2.613 -2.502
39 H THR 5 H THR 5 -1.813 0.716 -2.262
40 HA THR 5 HA THR 5 1.226 0.521 -2.195
41 HB THR 5 HB THR 5 1.443 0.828 -4.419
42 HG1 THR 5 1HG THR 5 0.642 2.535 -5.222
43 HG21 THR 5 1HG2 THR 5 -0.197 -0.277 -5.881
44 HG22 THR 5 2HG2 THR 5 -0.191 -1.170 -4.331
45 HG23 THR 5 3HG2 THR 5 -1.496 -0.025 -4.698
46 H VAL 6 H VAL 6 -0.827 2.287 -0.731
47 HA VAL 6 HA VAL 6 0.633 4.992 -0.932
48 HB VAL 6 HB VAL 6 -2.218 4.147 -0.231
49 HG11 VAL 6 1HG1 VAL 6 -1.045 6.649 1.105
50 HG12 VAL 6 2HG1 VAL 6 -2.786 6.317 0.886
51 HG13 VAL 6 3HG1 VAL 6 -1.808 5.247 1.887
52 HG21 VAL 6 1HG2 VAL 6 -1.034 6.604 -1.681
53 HG22 VAL 6 2HG2 VAL 6 -1.705 5.148 -2.453
54 HG23 VAL 6 3HG2 VAL 6 -2.768 6.229 -1.532
55 H GLN 7 H GLN 7 -0.582 2.775 1.581
56 HA GLN 7 HA GLN 7 1.276 3.922 3.660
57 HB2 GLN 7 1HB GLN 7 -0.993 1.865 3.622
58 HB3 GLN 7 2HB GLN 7 0.296 1.500 4.718
59 HG2 GLN 7 1HG GLN 7 0.006 4.127 5.457
60 HG3 GLN 7 2HG GLN 7 -1.583 3.915 4.753
61 HE21 GLN 7 1HE2 GLN 7 -3.024 3.297 6.361
62 HE22 GLN 7 2HE2 GLN 7 -2.507 2.386 7.879
63 H ARG 8 H ARG 8 1.416 1.218 1.465
64 HA ARG 8 HA ARG 8 4.270 0.684 2.146
65 HB2 ARG 8 1HB ARG 8 4.082 -1.569 2.965
66 HB3 ARG 8 2HB ARG 8 3.313 -0.451 4.045
67 HG2 ARG 8 1HG ARG 8 1.356 -1.615 4.039
68 HG3 ARG 8 2HG ARG 8 1.159 -1.402 2.307
69 HD2 ARG 8 1HD ARG 8 2.533 -3.392 1.786
70 HD3 ARG 8 2HD ARG 8 2.991 -3.556 3.496
71 HE ARG 8 HE ARG 8 0.014 -3.671 2.850
72 HH11 ARG 8 1HH1 ARG 8 -0.179 -6.910 3.884
73 HH12 ARG 8 2HH1 ARG 8 -1.034 -5.375 3.387
74 HH21 ARG 8 1HH2 ARG 8 1.961 -7.024 3.875
75 HH22 ARG 8 2HH2 ARG 8 2.884 -5.521 3.383
76 HA PRO 9 HA PRO 9 2.985 -0.541 -2.259
77 HB2 PRO 9 1HB PRO 9 4.913 0.896 -3.650
78 HB3 PRO 9 2HB PRO 9 3.469 1.671 -2.995
79 HG2 PRO 9 1HG PRO 9 6.236 1.504 -1.664
80 HG3 PRO 9 2HG PRO 9 5.296 2.979 -2.004
81 HD2 PRO 9 1HD PRO 9 5.199 1.777 0.454
82 HD3 PRO 9 2HD PRO 9 3.703 2.482 -0.235
83 H LYS 10 H LYS 10 4.521 -1.375 -4.027
84 HA LYS 10 HA LYS 10 6.294 -3.505 -2.813
85 HB2 LYS 10 1HB LYS 10 4.766 -3.257 -5.364
86 HB3 LYS 10 2HB LYS 10 6.428 -3.573 -5.718
87 HG2 LYS 10 1HG LYS 10 6.169 -5.461 -3.752
88 HG3 LYS 10 2HG LYS 10 4.468 -5.233 -4.058
89 HD2 LYS 10 1HD LYS 10 6.101 -5.615 -6.589
90 HD3 LYS 10 2HD LYS 10 6.406 -6.880 -5.449
91 HE2 LYS 10 1HE LYS 10 3.657 -6.118 -6.651
92 HE3 LYS 10 2HE LYS 10 4.643 -7.518 -7.070
93 HZ1 LYS 10 1HZ LYS 10 4.389 -8.306 -4.684
94 HZ2 LYS 10 2HZ LYS 10 3.407 -7.042 -4.360
95 HZ3 LYS 10 3HZ LYS 10 2.914 -8.195 -5.421
96 H GLY 11 H GLY 11 7.181 -0.989 -2.338
97 HA2 GLY 11 1HA GLY 11 10.079 -1.340 -3.318
98 HA3 GLY 11 2HA GLY 11 9.430 0.282 -3.196
99 H TYR 12 H TYR 12 8.374 -1.899 -0.721
100 HA TYR 12 HA TYR 12 10.571 -0.982 1.198
101 HB2 TYR 12 1HB TYR 12 7.565 -0.521 1.448
102 HB3 TYR 12 2HB TYR 12 8.318 -1.105 2.893
103 HD1 TYR 12 1HD TYR 12 10.962 0.238 3.061
104 HD2 TYR 12 2HD TYR 12 7.097 1.768 1.938
105 HE1 TYR 12 1HE TYR 12 11.621 2.475 3.812
106 HE2 TYR 12 2HE TYR 12 7.761 3.992 2.737
107 HH TYR 12 HH TYR 12 9.396 5.229 3.628
108 HN1 NH2 13 HN1 NH2 13 8.937 -4.588 2.156
109 HN2 NH2 13 HN2 NH2 13 7.758 -3.247 1.691
Start of MODEL 7
1 H1 ACE 0 1H1 ACE 0 -7.249 -6.637 -0.650
2 H2 ACE 0 2H1 ACE 0 -8.401 -6.870 0.699
3 H3 ACE 0 3H1 ACE 0 -8.951 -7.046 -0.984
4 H ARG 1 H ARG 1 -6.779 -4.510 -0.552
5 HA ARG 1 HA ARG 1 -9.042 -2.441 -0.434
6 HB2 ARG 1 1HB ARG 1 -6.330 -2.195 1.028
7 HB3 ARG 1 2HB ARG 1 -7.542 -0.931 0.920
8 HG2 ARG 1 1HG ARG 1 -9.242 -2.380 2.079
9 HG3 ARG 1 2HG ARG 1 -8.083 -3.678 2.169
10 HD2 ARG 1 1HD ARG 1 -7.284 -1.007 3.444
11 HD3 ARG 1 2HD ARG 1 -8.552 -1.899 4.235
12 HE ARG 1 HE ARG 1 -5.697 -2.564 4.350
13 HH11 ARG 1 1HH1 ARG 1 -6.074 -5.699 5.620
14 HH12 ARG 1 2HH1 ARG 1 -4.991 -4.263 5.328
15 HH21 ARG 1 1HH2 ARG 1 -8.108 -5.701 4.986
16 HH22 ARG 1 2HH2 ARG 1 -8.747 -4.195 4.163
17 HA PRO 2 HA PRO 2 -6.896 -0.683 -4.109
18 HB2 PRO 2 1HB PRO 2 -8.021 1.812 -4.247
19 HB3 PRO 2 2HB PRO 2 -8.963 0.338 -4.535
20 HG2 PRO 2 1HG PRO 2 -8.780 1.938 -1.932
21 HG3 PRO 2 2HG PRO 2 -10.259 1.434 -2.766
22 HD2 PRO 2 1HD PRO 2 -9.173 -0.021 -0.667
23 HD3 PRO 2 2HD PRO 2 -10.036 -0.844 -2.000
24 H LEU 3 H LEU 3 -6.760 0.945 -1.017
25 HA LEU 3 HA LEU 3 -4.160 2.413 -1.617
26 HB2 LEU 3 1HB LEU 3 -5.697 2.208 1.036
27 HB3 LEU 3 2HB LEU 3 -4.355 3.242 0.702
28 HG LEU 3 HG LEU 3 -6.287 3.954 -1.336
29 HD11 LEU 3 1HD1 LEU 3 -8.335 4.501 0.001
30 HD12 LEU 3 2HD1 LEU 3 -8.052 2.751 -0.011
31 HD13 LEU 3 3HD1 LEU 3 -7.646 3.695 1.433
32 HD21 LEU 3 1HD2 LEU 3 -5.468 5.369 1.278
33 HD22 LEU 3 2HD2 LEU 3 -4.788 5.598 -0.352
34 HD23 LEU 3 3HD2 LEU 3 -6.445 6.122 -0.008
35 H ASP 4 H ASP 4 -3.992 -0.403 -1.885
36 HA ASP 4 HA ASP 4 -2.190 -1.382 0.336
37 HB2 ASP 4 1HB ASP 4 -3.732 -2.840 -1.248
38 HB3 ASP 4 2HB ASP 4 -2.515 -2.586 -2.481
39 H THR 5 H THR 5 -1.832 0.753 -2.252
40 HA THR 5 HA THR 5 1.212 0.558 -2.165
41 HB THR 5 HB THR 5 1.471 0.724 -4.382
42 HG1 THR 5 1HG THR 5 0.654 2.832 -4.453
43 HG21 THR 5 1HG2 THR 5 -1.507 0.075 -4.756
44 HG22 THR 5 2HG2 THR 5 -0.179 -0.293 -5.877
45 HG23 THR 5 3HG2 THR 5 -0.298 -1.146 -4.312
46 H VAL 6 H VAL 6 -0.775 2.274 -0.677
47 HA VAL 6 HA VAL 6 0.648 5.002 -0.918
48 HB VAL 6 HB VAL 6 -2.204 4.141 -0.256
49 HG11 VAL 6 1HG1 VAL 6 -1.027 6.584 1.178
50 HG12 VAL 6 2HG1 VAL 6 -2.768 6.360 0.856
51 HG13 VAL 6 3HG1 VAL 6 -1.905 5.204 1.872
52 HG21 VAL 6 1HG2 VAL 6 -2.800 6.093 -1.607
53 HG22 VAL 6 2HG2 VAL 6 -1.133 6.718 -1.567
54 HG23 VAL 6 3HG2 VAL 6 -1.511 5.226 -2.461
55 H GLN 7 H GLN 7 -0.589 2.806 1.579
56 HA GLN 7 HA GLN 7 1.233 3.899 3.714
57 HB2 GLN 7 1HB GLN 7 -1.103 1.957 3.514
58 HB3 GLN 7 2HB GLN 7 0.108 1.407 4.606
59 HG2 GLN 7 1HG GLN 7 -0.738 4.351 4.862
60 HG3 GLN 7 2HG GLN 7 -1.893 3.117 5.312
61 HE21 GLN 7 1HE2 GLN 7 -1.797 3.708 7.497
62 HE22 GLN 7 2HE2 GLN 7 -0.315 3.284 8.513
63 H ARG 8 H ARG 8 1.390 1.213 1.479
64 HA ARG 8 HA ARG 8 4.245 0.688 2.146
65 HB2 ARG 8 1HB ARG 8 4.071 -1.574 2.961
66 HB3 ARG 8 2HB ARG 8 3.312 -0.457 4.050
67 HG2 ARG 8 1HG ARG 8 1.354 -1.620 4.060
68 HG3 ARG 8 2HG ARG 8 1.144 -1.404 2.328
69 HD2 ARG 8 1HD ARG 8 2.537 -3.381 1.800
70 HD3 ARG 8 2HD ARG 8 2.956 -3.582 3.520
71 HE ARG 8 HE ARG 8 -0.006 -3.625 2.984
72 HH11 ARG 8 1HH1 ARG 8 -0.220 -6.987 3.464
73 HH12 ARG 8 2HH1 ARG 8 -1.055 -5.366 3.364
74 HH21 ARG 8 1HH2 ARG 8 1.900 -7.143 3.160
75 HH22 ARG 8 2HH2 ARG 8 2.822 -5.591 2.843
76 HA PRO 9 HA PRO 9 2.961 -0.555 -2.253
77 HB2 PRO 9 1HB PRO 9 4.883 0.880 -3.650
78 HB3 PRO 9 2HB PRO 9 3.441 1.656 -2.989
79 HG2 PRO 9 1HG PRO 9 6.215 1.498 -1.674
80 HG3 PRO 9 2HG PRO 9 5.267 2.968 -2.009
81 HD2 PRO 9 1HD PRO 9 5.195 1.760 0.451
82 HD3 PRO 9 2HD PRO 9 3.695 2.472 -0.224
83 H LYS 10 H LYS 10 4.489 -1.427 -4.013
84 HA LYS 10 HA LYS 10 6.305 -3.550 -2.813
85 HB2 LYS 10 1HB LYS 10 4.981 -3.120 -5.527
86 HB3 LYS 10 2HB LYS 10 6.539 -3.865 -5.557
87 HG2 LYS 10 1HG LYS 10 5.479 -5.471 -3.594
88 HG3 LYS 10 2HG LYS 10 3.972 -4.902 -4.291
89 HD2 LYS 10 1HD LYS 10 5.373 -5.568 -6.630
90 HD3 LYS 10 2HD LYS 10 6.254 -6.553 -5.510
91 HE2 LYS 10 1HE LYS 10 4.656 -8.193 -5.552
92 HE3 LYS 10 2HE LYS 10 3.453 -7.107 -4.882
93 HZ1 LYS 10 1HZ LYS 10 3.097 -6.218 -7.223
94 HZ2 LYS 10 2HZ LYS 10 4.132 -7.336 -7.818
95 HZ3 LYS 10 3HZ LYS 10 2.713 -7.816 -7.129
96 H GLY 11 H GLY 11 7.170 -1.024 -2.314
97 HA2 GLY 11 1HA GLY 11 10.048 -1.327 -3.387
98 HA3 GLY 11 2HA GLY 11 9.392 0.280 -3.166
99 H TYR 12 H TYR 12 8.337 -1.853 -0.707
100 HA TYR 12 HA TYR 12 10.559 -0.948 1.224
101 HB2 TYR 12 1HB TYR 12 7.557 -0.431 1.349
102 HB3 TYR 12 2HB TYR 12 8.225 -1.097 2.799
103 HD1 TYR 12 1HD TYR 12 10.154 1.392 0.642
104 HD2 TYR 12 2HD TYR 12 7.789 0.765 4.185
105 HE1 TYR 12 1HE TYR 12 10.874 3.559 1.512
106 HE2 TYR 12 2HE TYR 12 8.500 2.953 5.026
107 HH TYR 12 HH TYR 12 10.018 4.617 4.760
108 HN1 NH2 13 HN1 NH2 13 8.918 -4.576 2.139
109 HN2 NH2 13 HN2 NH2 13 7.743 -3.232 1.670
Start of MODEL 8
1 H1 ACE 0 1H1 ACE 0 -7.031 -6.416 -0.031
2 H2 ACE 0 2H1 ACE 0 -8.607 -6.837 0.699
3 H3 ACE 0 3H1 ACE 0 -8.384 -6.943 -1.063
4 H ARG 1 H ARG 1 -6.798 -4.279 -0.015
5 HA ARG 1 HA ARG 1 -9.185 -2.421 -0.507
6 HB2 ARG 1 1HB ARG 1 -6.878 -2.181 1.495
7 HB3 ARG 1 2HB ARG 1 -7.267 -0.736 0.650
8 HG2 ARG 1 1HG ARG 1 -8.780 -0.328 2.243
9 HG3 ARG 1 2HG ARG 1 -9.850 -1.344 1.318
10 HD2 ARG 1 1HD ARG 1 -9.248 -3.351 2.792
11 HD3 ARG 1 2HD ARG 1 -8.054 -2.369 3.615
12 HE ARG 1 HE ARG 1 -9.738 -1.299 4.922
13 HH11 ARG 1 1HH1 ARG 1 -13.122 -1.348 4.729
14 HH12 ARG 1 2HH1 ARG 1 -11.624 -0.853 5.637
15 HH21 ARG 1 1HH2 ARG 1 -12.986 -2.416 2.880
16 HH22 ARG 1 2HH2 ARG 1 -11.320 -2.840 2.245
17 HA PRO 2 HA PRO 2 -6.926 -0.679 -4.105
18 HB2 PRO 2 1HB PRO 2 -7.969 1.853 -4.262
19 HB3 PRO 2 2HB PRO 2 -8.956 0.412 -4.566
20 HG2 PRO 2 1HG PRO 2 -8.752 1.997 -1.961
21 HG3 PRO 2 2HG PRO 2 -10.239 1.561 -2.814
22 HD2 PRO 2 1HD PRO 2 -9.251 0.064 -0.712
23 HD3 PRO 2 2HD PRO 2 -10.113 -0.732 -2.063
24 H LEU 3 H LEU 3 -6.795 0.956 -1.006
25 HA LEU 3 HA LEU 3 -4.199 2.410 -1.583
26 HB2 LEU 3 1HB LEU 3 -5.676 2.201 1.114
27 HB3 LEU 3 2HB LEU 3 -4.377 3.268 0.696
28 HG LEU 3 HG LEU 3 -6.198 3.978 -1.288
29 HD11 LEU 3 1HD1 LEU 3 -7.907 2.389 0.123
30 HD12 LEU 3 2HD1 LEU 3 -8.074 3.821 1.136
31 HD13 LEU 3 3HD1 LEU 3 -8.449 3.918 -0.598
32 HD21 LEU 3 1HD2 LEU 3 -6.494 6.057 -0.179
33 HD22 LEU 3 2HD2 LEU 3 -6.331 5.361 1.451
34 HD23 LEU 3 3HD2 LEU 3 -4.912 5.501 0.390
35 H ASP 4 H ASP 4 -3.980 -0.365 -1.916
36 HA ASP 4 HA ASP 4 -2.202 -1.414 0.288
37 HB2 ASP 4 1HB ASP 4 -3.785 -2.741 -1.493
38 HB3 ASP 4 2HB ASP 4 -2.376 -2.653 -2.518
39 H THR 5 H THR 5 -1.802 0.629 -2.392
40 HA THR 5 HA THR 5 1.250 0.504 -2.272
41 HB THR 5 HB THR 5 0.374 -0.079 -4.461
42 HG1 THR 5 1HG THR 5 2.014 0.927 -5.154
43 HG21 THR 5 1HG2 THR 5 -1.172 2.581 -4.384
44 HG22 THR 5 2HG2 THR 5 -0.703 1.827 -5.928
45 HG23 THR 5 3HG2 THR 5 -1.760 0.955 -4.798
46 H VAL 6 H VAL 6 -0.900 2.224 -0.753
47 HA VAL 6 HA VAL 6 0.588 4.922 -0.923
48 HB VAL 6 HB VAL 6 -2.280 4.162 -0.241
49 HG11 VAL 6 1HG1 VAL 6 -2.737 6.394 0.866
50 HG12 VAL 6 2HG1 VAL 6 -1.851 5.246 1.873
51 HG13 VAL 6 3HG1 VAL 6 -0.982 6.596 1.110
52 HG21 VAL 6 1HG2 VAL 6 -0.975 6.544 -1.716
53 HG22 VAL 6 2HG2 VAL 6 -1.762 5.134 -2.461
54 HG23 VAL 6 3HG2 VAL 6 -2.728 6.300 -1.535
55 H GLN 7 H GLN 7 -0.643 2.712 1.577
56 HA GLN 7 HA GLN 7 1.220 3.846 3.655
57 HB2 GLN 7 1HB GLN 7 -1.091 1.862 3.588
58 HB3 GLN 7 2HB GLN 7 0.180 1.401 4.679
59 HG2 GLN 7 1HG GLN 7 0.110 3.688 5.780
60 HG3 GLN 7 2HG GLN 7 -1.193 4.161 4.697
61 HE21 GLN 7 1HE2 GLN 7 -3.001 4.183 5.967
62 HE22 GLN 7 2HE2 GLN 7 -3.405 2.874 7.202
63 H ARG 8 H ARG 8 1.424 1.209 1.411
64 HA ARG 8 HA ARG 8 4.265 0.645 2.136
65 HB2 ARG 8 1HB ARG 8 4.026 -1.682 2.823
66 HB3 ARG 8 2HB ARG 8 3.290 -0.591 3.965
67 HG2 ARG 8 1HG ARG 8 1.232 -1.558 3.801
68 HG3 ARG 8 2HG ARG 8 1.173 -1.418 2.071
69 HD2 ARG 8 1HD ARG 8 2.435 -3.473 1.671
70 HD3 ARG 8 2HD ARG 8 2.756 -3.730 3.378
71 HE ARG 8 HE ARG 8 0.208 -4.308 1.919
72 HH11 ARG 8 1HH1 ARG 8 -1.589 -5.032 4.726
73 HH12 ARG 8 2HH1 ARG 8 -1.418 -5.136 2.908
74 HH21 ARG 8 1HH2 ARG 8 -0.106 -4.015 5.918
75 HH22 ARG 8 2HH2 ARG 8 1.350 -3.343 5.031
76 HA PRO 9 HA PRO 9 3.049 -0.462 -2.327
77 HB2 PRO 9 1HB PRO 9 5.001 0.997 -3.649
78 HB3 PRO 9 2HB PRO 9 3.551 1.765 -2.990
79 HG2 PRO 9 1HG PRO 9 6.297 1.547 -1.623
80 HG3 PRO 9 2HG PRO 9 5.371 3.036 -1.944
81 HD2 PRO 9 1HD PRO 9 5.226 1.776 0.484
82 HD3 PRO 9 2HD PRO 9 3.746 2.508 -0.214
83 H LYS 10 H LYS 10 4.615 -1.295 -4.080
84 HA LYS 10 HA LYS 10 6.326 -3.502 -2.869
85 HB2 LYS 10 1HB LYS 10 5.604 -2.932 -5.798
86 HB3 LYS 10 2HB LYS 10 6.609 -4.244 -5.230
87 HG2 LYS 10 1HG LYS 10 4.381 -4.729 -3.635
88 HG3 LYS 10 2HG LYS 10 3.604 -3.859 -4.926
89 HD2 LYS 10 1HD LYS 10 5.299 -5.762 -6.302
90 HD3 LYS 10 2HD LYS 10 4.876 -6.596 -4.841
91 HE2 LYS 10 1HE LYS 10 2.366 -5.437 -5.921
92 HE3 LYS 10 2HE LYS 10 3.279 -6.002 -7.305
93 HZ1 LYS 10 1HZ LYS 10 3.484 -8.232 -6.155
94 HZ2 LYS 10 2HZ LYS 10 2.612 -7.678 -4.882
95 HZ3 LYS 10 3HZ LYS 10 1.897 -7.834 -6.354
96 H GLY 11 H GLY 11 7.238 -1.024 -2.287
97 HA2 GLY 11 1HA GLY 11 10.143 -1.335 -3.250
98 HA3 GLY 11 2HA GLY 11 9.486 0.287 -3.122
99 H TYR 12 H TYR 12 8.395 -1.910 -0.693
100 HA TYR 12 HA TYR 12 10.504 -0.961 1.331
101 HB2 TYR 12 1HB TYR 12 7.490 -0.516 1.384
102 HB3 TYR 12 2HB TYR 12 8.095 -1.219 2.839
103 HD1 TYR 12 1HD TYR 12 9.624 -0.034 4.351
104 HD2 TYR 12 2HD TYR 12 8.281 1.825 0.711
105 HE1 TYR 12 1HE TYR 12 10.358 2.157 5.192
106 HE2 TYR 12 2HE TYR 12 9.020 4.017 1.575
107 HH TYR 12 HH TYR 12 9.383 4.861 4.346
108 HN1 NH2 13 HN1 NH2 13 8.908 -4.654 2.098
109 HN2 NH2 13 HN2 NH2 13 7.726 -3.310 1.649
Start of MODEL 9
1 H1 ACE 0 1H1 ACE 0 -11.384 -4.790 -1.358
2 H2 ACE 0 2H1 ACE 0 -12.231 -4.426 0.166
3 H3 ACE 0 3H1 ACE 0 -12.207 -3.218 -1.142
4 H ARG 1 H ARG 1 -9.332 -4.100 -1.553
5 HA ARG 1 HA ARG 1 -8.173 -2.027 0.371
6 HB2 ARG 1 1HB ARG 1 -7.707 -4.421 1.160
7 HB3 ARG 1 2HB ARG 1 -6.657 -4.631 -0.225
8 HG2 ARG 1 1HG ARG 1 -5.010 -3.088 0.590
9 HG3 ARG 1 2HG ARG 1 -6.152 -2.143 1.483
10 HD2 ARG 1 1HD ARG 1 -6.260 -4.740 2.807
11 HD3 ARG 1 2HD ARG 1 -4.600 -4.565 2.324
12 HE ARG 1 HE ARG 1 -4.327 -2.996 4.114
13 HH11 ARG 1 1HH1 ARG 1 -6.559 -1.093 5.834
14 HH12 ARG 1 2HH1 ARG 1 -4.848 -1.685 5.644
15 HH21 ARG 1 1HH2 ARG 1 -8.104 -1.717 4.493
16 HH22 ARG 1 2HH2 ARG 1 -7.655 -2.882 3.153
17 HA PRO 2 HA PRO 2 -6.816 -0.978 -4.045
18 HB2 PRO 2 1HB PRO 2 -7.910 1.526 -4.248
19 HB3 PRO 2 2HB PRO 2 -8.869 0.058 -4.512
20 HG2 PRO 2 1HG PRO 2 -8.699 1.724 -1.955
21 HG3 PRO 2 2HG PRO 2 -10.172 1.203 -2.786
22 HD2 PRO 2 1HD PRO 2 -9.112 -0.203 -0.633
23 HD3 PRO 2 2HD PRO 2 -9.981 -1.041 -1.948
24 H LEU 3 H LEU 3 -6.699 0.681 -0.976
25 HA LEU 3 HA LEU 3 -4.150 2.208 -1.566
26 HB2 LEU 3 1HB LEU 3 -5.580 1.938 1.145
27 HB3 LEU 3 2HB LEU 3 -4.365 3.085 0.694
28 HG LEU 3 HG LEU 3 -6.339 3.631 -1.248
29 HD11 LEU 3 1HD1 LEU 3 -8.539 3.647 -0.212
30 HD12 LEU 3 2HD1 LEU 3 -7.906 2.022 0.115
31 HD13 LEU 3 3HD1 LEU 3 -7.895 3.234 1.397
32 HD21 LEU 3 1HD2 LEU 3 -6.231 5.050 1.482
33 HD22 LEU 3 2HD2 LEU 3 -5.050 5.315 0.174
34 HD23 LEU 3 3HD2 LEU 3 -6.759 5.710 -0.086
35 H ASP 4 H ASP 4 -3.861 -0.577 -1.879
36 HA ASP 4 HA ASP 4 -2.034 -1.541 0.330
37 HB2 ASP 4 1HB ASP 4 -3.604 -2.999 -1.276
38 HB3 ASP 4 2HB ASP 4 -2.343 -2.796 -2.460
39 H THR 5 H THR 5 -1.726 0.513 -2.325
40 HA THR 5 HA THR 5 1.328 0.456 -2.221
41 HB THR 5 HB THR 5 0.441 -0.194 -4.403
42 HG1 THR 5 1HG THR 5 1.507 1.404 -5.627
43 HG21 THR 5 1HG2 THR 5 -1.120 2.456 -4.337
44 HG22 THR 5 2HG2 THR 5 -0.609 1.763 -5.895
45 HG23 THR 5 3HG2 THR 5 -1.666 0.836 -4.811
46 H VAL 6 H VAL 6 -0.854 2.100 -0.714
47 HA VAL 6 HA VAL 6 0.534 4.849 -0.886
48 HB VAL 6 HB VAL 6 -2.304 3.983 -0.221
49 HG11 VAL 6 1HG1 VAL 6 -1.083 6.411 1.210
50 HG12 VAL 6 2HG1 VAL 6 -2.830 6.213 0.908
51 HG13 VAL 6 3HG1 VAL 6 -1.969 5.040 1.911
52 HG21 VAL 6 1HG2 VAL 6 -2.874 6.001 -1.536
53 HG22 VAL 6 2HG2 VAL 6 -1.172 6.527 -1.556
54 HG23 VAL 6 3HG2 VAL 6 -1.663 5.055 -2.426
55 H GLN 7 H GLN 7 -0.628 2.593 1.613
56 HA GLN 7 HA GLN 7 1.229 3.773 3.669
57 HB2 GLN 7 1HB GLN 7 -1.015 1.699 3.652
58 HB3 GLN 7 2HB GLN 7 0.294 1.300 4.706
59 HG2 GLN 7 1HG GLN 7 -0.007 3.958 5.462
60 HG3 GLN 7 2HG GLN 7 -1.622 3.664 4.860
61 HE21 GLN 7 1HE2 GLN 7 0.230 3.549 7.563
62 HE22 GLN 7 2HE2 GLN 7 -0.741 2.299 8.506
63 H ARG 8 H ARG 8 1.472 1.144 1.426
64 HA ARG 8 HA ARG 8 4.321 0.638 2.148
65 HB2 ARG 8 1HB ARG 8 4.151 -1.653 2.889
66 HB3 ARG 8 2HB ARG 8 3.351 -0.582 3.994
67 HG2 ARG 8 1HG ARG 8 1.392 -1.763 3.899
68 HG3 ARG 8 2HG ARG 8 1.251 -1.500 2.167
69 HD2 ARG 8 1HD ARG 8 2.788 -3.435 1.693
70 HD3 ARG 8 2HD ARG 8 2.961 -3.713 3.445
71 HE ARG 8 HE ARG 8 0.103 -3.728 2.430
72 HH11 ARG 8 1HH1 ARG 8 -0.193 -7.088 2.703
73 HH12 ARG 8 2HH1 ARG 8 -0.981 -5.452 2.485
74 HH21 ARG 8 1HH2 ARG 8 1.956 -7.250 2.748
75 HH22 ARG 8 2HH2 ARG 8 2.918 -5.692 2.686
76 HA PRO 9 HA PRO 9 3.133 -0.471 -2.321
77 HB2 PRO 9 1HB PRO 9 5.037 1.051 -3.635
78 HB3 PRO 9 2HB PRO 9 3.572 1.773 -2.965
79 HG2 PRO 9 1HG PRO 9 6.329 1.623 -1.613
80 HG3 PRO 9 2HG PRO 9 5.359 3.086 -1.916
81 HD2 PRO 9 1HD PRO 9 5.263 1.801 0.502
82 HD3 PRO 9 2HD PRO 9 3.760 2.499 -0.183
83 H LYS 10 H LYS 10 4.698 -1.229 -4.079
84 HA LYS 10 HA LYS 10 6.495 -3.375 -2.914
85 HB2 LYS 10 1HB LYS 10 5.035 -3.013 -5.515
86 HB3 LYS 10 2HB LYS 10 6.694 -3.407 -5.778
87 HG2 LYS 10 1HG LYS 10 6.250 -5.328 -3.896
88 HG3 LYS 10 2HG LYS 10 4.572 -5.027 -4.271
89 HD2 LYS 10 1HD LYS 10 6.304 -5.348 -6.743
90 HD3 LYS 10 2HD LYS 10 6.510 -6.684 -5.668
91 HE2 LYS 10 1HE LYS 10 3.729 -5.707 -6.663
92 HE3 LYS 10 2HE LYS 10 4.703 -6.900 -7.522
93 HZ1 LYS 10 1HZ LYS 10 4.683 -8.334 -5.486
94 HZ2 LYS 10 2HZ LYS 10 3.796 -7.236 -4.661
95 HZ3 LYS 10 3HZ LYS 10 3.128 -8.030 -5.940
96 H GLY 11 H GLY 11 7.331 -0.865 -2.328
97 HA2 GLY 11 1HA GLY 11 10.243 -1.110 -3.301
98 HA3 GLY 11 2HA GLY 11 9.550 0.492 -3.144
99 H TYR 12 H TYR 12 8.541 -1.772 -0.738
100 HA TYR 12 HA TYR 12 10.639 -0.782 1.282
101 HB2 TYR 12 1HB TYR 12 7.624 -0.386 1.332
102 HB3 TYR 12 2HB TYR 12 8.225 -1.110 2.777
103 HD1 TYR 12 1HD TYR 12 9.115 0.246 4.501
104 HD2 TYR 12 2HD TYR 12 8.954 1.838 0.507
105 HE1 TYR 12 1HE TYR 12 9.747 2.457 5.353
106 HE2 TYR 12 2HE TYR 12 9.606 4.053 1.379
107 HH TYR 12 HH TYR 12 9.927 4.641 4.849
108 HN1 NH2 13 HN1 NH2 13 9.140 -4.515 2.041
109 HN2 NH2 13 HN2 NH2 13 7.923 -3.199 1.605
Start of MODEL 10
1 H1 ACE 0 1H1 ACE 0 -11.183 -4.912 -1.760
2 H2 ACE 0 2H1 ACE 0 -11.639 -5.391 -0.100
3 H3 ACE 0 3H1 ACE 0 -12.393 -3.966 -0.856
4 H ARG 1 H ARG 1 -9.178 -4.185 -1.616
5 HA ARG 1 HA ARG 1 -8.415 -1.931 0.289
6 HB2 ARG 1 1HB ARG 1 -7.091 -4.679 0.303
7 HB3 ARG 1 2HB ARG 1 -6.084 -3.294 0.534
8 HG2 ARG 1 1HG ARG 1 -8.556 -3.085 2.231
9 HG3 ARG 1 2HG ARG 1 -7.777 -4.589 2.509
10 HD2 ARG 1 1HD ARG 1 -5.985 -2.075 2.470
11 HD3 ARG 1 2HD ARG 1 -7.175 -2.183 3.772
12 HE ARG 1 HE ARG 1 -5.881 -4.764 3.698
13 HH11 ARG 1 1HH1 ARG 1 -3.486 -4.109 6.016
14 HH12 ARG 1 2HH1 ARG 1 -4.509 -5.334 5.136
15 HH21 ARG 1 1HH2 ARG 1 -3.695 -2.014 5.612
16 HH22 ARG 1 2HH2 ARG 1 -4.934 -1.495 4.369
17 HA PRO 2 HA PRO 2 -6.762 -0.999 -4.015
18 HB2 PRO 2 1HB PRO 2 -7.831 1.507 -4.313
19 HB3 PRO 2 2HB PRO 2 -8.787 0.039 -4.581
20 HG2 PRO 2 1HG PRO 2 -8.704 1.762 -2.057
21 HG3 PRO 2 2HG PRO 2 -10.147 1.224 -2.928
22 HD2 PRO 2 1HD PRO 2 -9.163 -0.117 -0.706
23 HD3 PRO 2 2HD PRO 2 -9.996 -1.002 -2.016
24 H LEU 3 H LEU 3 -6.718 0.723 -0.976
25 HA LEU 3 HA LEU 3 -4.131 2.212 -1.514
26 HB2 LEU 3 1HB LEU 3 -5.711 1.935 1.119
27 HB3 LEU 3 2HB LEU 3 -4.378 2.998 0.822
28 HG LEU 3 HG LEU 3 -6.163 3.739 -1.264
29 HD11 LEU 3 1HD1 LEU 3 -8.397 4.014 -0.291
30 HD12 LEU 3 2HD1 LEU 3 -7.965 2.307 -0.059
31 HD13 LEU 3 3HD1 LEU 3 -7.865 3.424 1.303
32 HD21 LEU 3 1HD2 LEU 3 -4.781 5.259 0.282
33 HD22 LEU 3 2HD2 LEU 3 -6.397 5.849 -0.132
34 HD23 LEU 3 3HD2 LEU 3 -6.095 5.143 1.476
35 H ASP 4 H ASP 4 -3.837 -0.535 -1.876
36 HA ASP 4 HA ASP 4 -2.027 -1.518 0.351
37 HB2 ASP 4 1HB ASP 4 -3.611 -2.957 -1.280
38 HB3 ASP 4 2HB ASP 4 -2.300 -2.813 -2.419
39 H THR 5 H THR 5 -1.729 0.526 -2.319
40 HA THR 5 HA THR 5 1.327 0.471 -2.215
41 HB THR 5 HB THR 5 0.431 -0.197 -4.376
42 HG1 THR 5 1HG THR 5 1.700 1.087 -5.551
43 HG21 THR 5 1HG2 THR 5 -0.519 2.142 -5.707
44 HG22 THR 5 2HG2 THR 5 -1.494 0.739 -5.203
45 HG23 THR 5 3HG2 THR 5 -1.394 2.165 -4.166
46 H VAL 6 H VAL 6 -0.851 2.140 -0.728
47 HA VAL 6 HA VAL 6 0.567 4.873 -0.908
48 HB VAL 6 HB VAL 6 -2.273 4.041 -0.157
49 HG11 VAL 6 1HG1 VAL 6 -1.058 6.573 1.084
50 HG12 VAL 6 2HG1 VAL 6 -2.798 6.198 0.970
51 HG13 VAL 6 3HG1 VAL 6 -1.745 5.170 1.934
52 HG21 VAL 6 1HG2 VAL 6 -2.125 4.969 -2.349
53 HG22 VAL 6 2HG2 VAL 6 -2.669 6.361 -1.392
54 HG23 VAL 6 3HG2 VAL 6 -0.970 6.234 -1.880
55 H GLN 7 H GLN 7 -0.587 2.616 1.573
56 HA GLN 7 HA GLN 7 1.229 3.799 3.660
57 HB2 GLN 7 1HB GLN 7 -1.103 1.882 3.578
58 HB3 GLN 7 2HB GLN 7 0.153 1.269 4.592
59 HG2 GLN 7 1HG GLN 7 -0.936 4.152 4.857
60 HG3 GLN 7 2HG GLN 7 -1.621 2.781 5.707
61 HE21 GLN 7 1HE2 GLN 7 0.504 5.253 6.176
62 HE22 GLN 7 2HE2 GLN 7 1.531 4.426 7.465
63 H ARG 8 H ARG 8 1.492 1.164 1.429
64 HA ARG 8 HA ARG 8 4.337 0.661 2.154
65 HB2 ARG 8 1HB ARG 8 4.166 -1.630 2.901
66 HB3 ARG 8 2HB ARG 8 3.365 -0.557 4.003
67 HG2 ARG 8 1HG ARG 8 1.407 -1.739 3.907
68 HG3 ARG 8 2HG ARG 8 1.265 -1.477 2.175
69 HD2 ARG 8 1HD ARG 8 2.797 -3.415 1.698
70 HD3 ARG 8 2HD ARG 8 2.984 -3.681 3.449
71 HE ARG 8 HE ARG 8 0.140 -3.732 2.320
72 HH11 ARG 8 1HH1 ARG 8 -0.181 -7.056 2.875
73 HH12 ARG 8 2HH1 ARG 8 -0.958 -5.439 2.507
74 HH21 ARG 8 1HH2 ARG 8 1.961 -7.209 3.048
75 HH22 ARG 8 2HH2 ARG 8 2.926 -5.659 2.914
76 HA PRO 9 HA PRO 9 3.132 -0.464 -2.310
77 HB2 PRO 9 1HB PRO 9 5.041 1.040 -3.640
78 HB3 PRO 9 2HB PRO 9 3.580 1.772 -2.971
79 HG2 PRO 9 1HG PRO 9 6.339 1.617 -1.624
80 HG3 PRO 9 2HG PRO 9 5.375 3.083 -1.933
81 HD2 PRO 9 1HD PRO 9 5.278 1.811 0.494
82 HD3 PRO 9 2HD PRO 9 3.777 2.512 -0.192
83 H LYS 10 H LYS 10 4.693 -1.237 -4.072
84 HA LYS 10 HA LYS 10 6.470 -3.388 -2.888
85 HB2 LYS 10 1HB LYS 10 4.954 -3.087 -5.447
86 HB3 LYS 10 2HB LYS 10 6.615 -3.406 -5.781
87 HG2 LYS 10 1HG LYS 10 6.279 -5.337 -3.839
88 HG3 LYS 10 2HG LYS 10 4.597 -5.158 -4.268
89 HD2 LYS 10 1HD LYS 10 6.824 -5.581 -6.386
90 HD3 LYS 10 2HD LYS 10 6.235 -6.918 -5.467
91 HE2 LYS 10 1HE LYS 10 3.937 -5.339 -6.662
92 HE3 LYS 10 2HE LYS 10 5.111 -5.763 -7.895
93 HZ1 LYS 10 1HZ LYS 10 4.974 -8.136 -7.155
94 HZ2 LYS 10 2HZ LYS 10 3.915 -7.758 -5.966
95 HZ3 LYS 10 3HZ LYS 10 3.460 -7.618 -7.544
96 H GLY 11 H GLY 11 7.328 -0.892 -2.328
97 HA2 GLY 11 1HA GLY 11 10.236 -1.153 -3.309
98 HA3 GLY 11 2HA GLY 11 9.548 0.452 -3.169
99 H TYR 12 H TYR 12 8.541 -1.783 -0.737
100 HA TYR 12 HA TYR 12 10.645 -0.777 1.268
101 HB2 TYR 12 1HB TYR 12 7.628 -0.386 1.331
102 HB3 TYR 12 2HB TYR 12 8.238 -1.098 2.779
103 HD1 TYR 12 1HD TYR 12 8.744 1.888 0.533
104 HD2 TYR 12 2HD TYR 12 9.362 0.202 4.443
105 HE1 TYR 12 1HE TYR 12 9.413 4.102 1.398
106 HE2 TYR 12 2HE TYR 12 10.018 2.409 5.288
107 HH TYR 12 HH TYR 12 10.237 4.572 4.817
108 HN1 NH2 13 HN1 NH2 13 9.147 -4.507 2.054
109 HN2 NH2 13 HN2 NH2 13 7.930 -3.193 1.614
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