Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
595979 | 2n0f RC | 25523 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 HT1 GLY 1 -6.734 0.088 4.688
2 H2 GLY 1 HT2 GLY 1 -7.448 1.273 5.676
3 H3 GLY 1 HT3 GLY 1 -5.762 1.237 5.468
4 HA2 GLY 1 HA1 GLY 1 -7.857 2.111 3.641
5 HA3 GLY 1 HA2 GLY 1 -6.346 2.919 4.100
6 H ASN 2 HN ASN 2 -6.170 3.233 1.746
7 HA ASN 2 HA ASN 2 -5.033 0.771 0.427
8 HB2 ASN 2 HB2 ASN 2 -6.552 3.113 -0.739
9 HB3 ASN 2 HB1 ASN 2 -5.619 1.964 -1.723
10 HD21 ASN 2 HD21 ASN 2 -8.258 2.160 0.713
11 HD22 ASN 2 HD22 ASN 2 -9.135 0.755 0.099
12 H HIS 3 HN HIS 3 -3.289 1.963 2.011
13 HA HIS 3 HA HIS 3 -1.920 4.234 0.952
14 HB2 HIS 3 HB2 HIS 3 -1.264 2.021 2.849
15 HB3 HIS 3 HB1 HIS 3 0.091 2.968 2.214
16 HD1 HIS 3 HD1 HIS 3 -2.284 2.820 4.908
17 HD2 HIS 3 HD2 HIS 3 -0.308 5.842 2.815
18 HE1 HIS 3 HE1 HIS 3 -2.524 4.929 6.301
19 H TRP 4 HN TRP 4 0.578 3.900 0.404
20 HA TRP 4 HA TRP 4 0.545 2.623 -2.229
21 HB2 TRP 4 HB2 TRP 4 2.778 3.533 -2.470
22 HB3 TRP 4 HB1 TRP 4 1.704 4.763 -1.785
23 HD1 TRP 4 HD1 TRP 4 2.111 5.434 0.819
24 HE1 TRP 4 HE1 TRP 4 4.190 5.223 2.361
25 HE3 TRP 4 HE3 TRP 4 4.774 2.076 -1.956
26 HZ2 TRP 4 HZ2 TRP 4 6.606 3.801 2.349
27 HZ3 TRP 4 HZ3 TRP 4 6.969 1.332 -1.129
28 HH2 TRP 4 HH2 TRP 4 7.873 2.188 1.004
29 H ALA 5 HN ALA 5 2.051 1.999 0.934
30 HA ALA 5 HA ALA 5 3.692 -0.175 0.027
31 HB1 ALA 5 HB1 ALA 5 4.387 -0.226 2.185
32 HB2 ALA 5 HB2 ALA 5 2.731 -0.316 2.832
33 HB3 ALA 5 HB3 ALA 5 3.420 1.246 2.353
34 H VAL 6 HN VAL 6 0.319 0.114 0.489
35 HA VAL 6 HA VAL 6 -0.254 -2.606 1.250
36 HB VAL 6 HB VAL 6 -2.091 -0.805 -0.348
37 HG11 VAL 6 HG11 VAL 6 -2.571 -2.983 1.702
38 HG12 VAL 6 HG12 VAL 6 -2.864 -3.095 -0.051
39 HG13 VAL 6 HG13 VAL 6 -3.839 -1.990 0.947
40 HG21 VAL 6 HG21 VAL 6 -1.598 -0.792 2.650
41 HG22 VAL 6 HG22 VAL 6 -2.871 0.124 1.801
42 HG23 VAL 6 HG23 VAL 6 -1.159 0.476 1.485
43 H GLY 7 HN GLY 7 0.559 -1.047 -1.761
44 HA2 GLY 7 HA2 GLY 7 -0.503 -3.262 -3.399
45 HA3 GLY 7 HA1 GLY 7 0.396 -1.841 -3.961
46 H HIS 8 HN HIS 8 2.747 -1.868 -2.737
47 HA HIS 8 HA HIS 8 4.129 -4.016 -4.074
48 HB2 HIS 8 HB2 HIS 8 4.823 -1.680 -2.390
49 HB3 HIS 8 HB1 HIS 8 5.996 -3.007 -2.329
50 HD1 HIS 8 HD1 HIS 8 7.813 -2.726 -3.966
51 HD2 HIS 8 HD2 HIS 8 4.161 -1.334 -5.436
52 HE1 HIS 8 HE1 HIS 8 8.287 -1.761 -6.265
53 H LEU 9 HN LEU 9 4.050 -3.223 -0.571
54 HA LEU 9 HA LEU 9 5.140 -5.699 0.277
55 HB2 LEU 9 HB2 LEU 9 3.129 -4.118 1.884
56 HB3 LEU 9 HB1 LEU 9 4.476 -5.104 2.459
57 HG LEU 9 HG LEU 9 4.663 -2.428 1.064
58 HD11 LEU 9 HD11 LEU 9 5.203 -3.346 3.893
59 HD12 LEU 9 HD12 LEU 9 3.967 -2.190 3.365
60 HD13 LEU 9 HD13 LEU 9 5.693 -1.759 3.266
61 HD21 LEU 9 HD21 LEU 9 7.116 -2.644 1.601
62 HD22 LEU 9 HD22 LEU 9 6.539 -3.777 0.356
63 HD23 LEU 9 HD23 LEU 9 6.808 -4.345 2.021
64 H MET 10 HN MET 10 1.701 -4.676 0.542
65 HA MET 10 HA MET 10 0.933 -7.551 0.671
66 HB2 MET 10 HB2 MET 10 -0.328 -4.948 1.399
67 HB3 MET 10 HB1 MET 10 -1.416 -6.269 0.949
68 HG2 MET 10 HG2 MET 10 -1.190 -6.344 3.306
69 HG3 MET 10 HG1 MET 10 -0.208 -7.677 2.677
70 HE1 MET 10 HE1 MET 10 2.460 -7.628 2.555
71 HE2 MET 10 HE2 MET 10 3.152 -7.143 4.122
72 HE3 MET 10 HE3 MET 10 1.728 -8.211 4.069
Start of MODEL 2
1 H1 GLY 1 HT1 GLY 1 -5.312 1.239 5.158
2 H2 GLY 1 HT2 GLY 1 -4.794 2.808 5.556
3 H3 GLY 1 HT3 GLY 1 -4.189 2.034 4.168
4 HA2 GLY 1 HA1 GLY 1 -6.970 2.056 4.056
5 HA3 GLY 1 HA2 GLY 1 -6.379 3.691 4.404
6 H ASN 2 HN ASN 2 -5.744 0.879 2.276
7 HA ASN 2 HA ASN 2 -5.116 0.787 0.059
8 HB2 ASN 2 HB2 ASN 2 -7.310 2.252 0.076
9 HB3 ASN 2 HB1 ASN 2 -6.215 3.557 -0.419
10 HD21 ASN 2 HD21 ASN 2 -6.288 3.860 -2.569
11 HD22 ASN 2 HD22 ASN 2 -6.391 2.567 -3.770
12 H HIS 3 HN HIS 3 -3.275 1.947 2.014
13 HA HIS 3 HA HIS 3 -1.926 4.226 0.948
14 HB2 HIS 3 HB2 HIS 3 -1.265 2.033 2.861
15 HB3 HIS 3 HB1 HIS 3 0.097 2.958 2.208
16 HD1 HIS 3 HD1 HIS 3 0.738 4.471 4.072
17 HD2 HIS 3 HD2 HIS 3 -3.374 4.474 3.344
18 HE1 HIS 3 HE1 HIS 3 -0.270 6.179 5.658
19 H TRP 4 HN TRP 4 0.578 3.900 0.401
20 HA TRP 4 HA TRP 4 0.547 2.627 -2.230
21 HB2 TRP 4 HB2 TRP 4 2.781 3.533 -2.471
22 HB3 TRP 4 HB1 TRP 4 1.707 4.765 -1.786
23 HD1 TRP 4 HD1 TRP 4 2.113 5.432 0.820
24 HE1 TRP 4 HE1 TRP 4 4.193 5.218 2.361
25 HE3 TRP 4 HE3 TRP 4 4.776 2.077 -1.961
26 HZ2 TRP 4 HZ2 TRP 4 6.609 3.798 2.347
27 HZ3 TRP 4 HZ3 TRP 4 6.971 1.334 -1.134
28 HH2 TRP 4 HH2 TRP 4 7.876 2.186 1.001
29 H ALA 5 HN ALA 5 2.051 1.997 0.931
30 HA ALA 5 HA ALA 5 3.692 -0.176 0.022
31 HB1 ALA 5 HB1 ALA 5 4.406 -0.187 2.169
32 HB2 ALA 5 HB2 ALA 5 2.759 -0.355 2.824
33 HB3 ALA 5 HB3 ALA 5 3.382 1.240 2.366
34 H VAL 6 HN VAL 6 0.322 0.112 0.491
35 HA VAL 6 HA VAL 6 -0.246 -2.584 1.251
36 HB VAL 6 HB VAL 6 -2.090 -0.803 -0.343
37 HG11 VAL 6 HG11 VAL 6 -2.819 -3.129 -0.020
38 HG12 VAL 6 HG12 VAL 6 -3.846 -1.995 0.891
39 HG13 VAL 6 HG13 VAL 6 -2.602 -2.947 1.737
40 HG21 VAL 6 HG21 VAL 6 -2.865 0.122 1.807
41 HG22 VAL 6 HG22 VAL 6 -1.152 0.471 1.495
42 HG23 VAL 6 HG23 VAL 6 -1.595 -0.800 2.653
43 H GLY 7 HN GLY 7 0.556 -1.043 -1.764
44 HA2 GLY 7 HA2 GLY 7 -0.508 -3.257 -3.402
45 HA3 GLY 7 HA1 GLY 7 0.389 -1.834 -3.965
46 H HIS 8 HN HIS 8 2.739 -1.874 -2.707
47 HA HIS 8 HA HIS 8 4.115 -4.024 -4.060
48 HB2 HIS 8 HB2 HIS 8 4.825 -1.679 -2.388
49 HB3 HIS 8 HB1 HIS 8 6.002 -3.003 -2.355
50 HD1 HIS 8 HD1 HIS 8 7.794 -2.675 -4.010
51 HD2 HIS 8 HD2 HIS 8 4.187 -0.984 -5.260
52 HE1 HIS 8 HE1 HIS 8 8.219 -1.705 -6.317
53 H LEU 9 HN LEU 9 3.878 -3.214 -0.566
54 HA LEU 9 HA LEU 9 5.011 -5.718 0.274
55 HB2 LEU 9 HB2 LEU 9 3.126 -4.079 1.963
56 HB3 LEU 9 HB1 LEU 9 4.515 -5.050 2.461
57 HG LEU 9 HG LEU 9 4.577 -2.379 1.042
58 HD11 LEU 9 HD11 LEU 9 4.080 -2.146 3.391
59 HD12 LEU 9 HD12 LEU 9 5.790 -1.710 3.144
60 HD13 LEU 9 HD13 LEU 9 5.361 -3.298 3.809
61 HD21 LEU 9 HD21 LEU 9 6.825 -4.248 1.822
62 HD22 LEU 9 HD22 LEU 9 7.050 -2.555 1.318
63 HD23 LEU 9 HD23 LEU 9 6.382 -3.744 0.174
64 H MET 10 HN MET 10 1.645 -4.545 0.735
65 HA MET 10 HA MET 10 0.732 -7.345 0.988
66 HB2 MET 10 HB2 MET 10 -0.509 -4.651 1.383
67 HB3 MET 10 HB1 MET 10 -1.549 -6.055 1.199
68 HG2 MET 10 HG2 MET 10 -0.463 -7.133 3.099
69 HG3 MET 10 HG1 MET 10 0.616 -5.735 3.278
70 HE1 MET 10 HE1 MET 10 -0.041 -3.443 3.828
71 HE2 MET 10 HE2 MET 10 -1.307 -3.090 5.029
72 HE3 MET 10 HE3 MET 10 0.021 -4.205 5.436
Start of MODEL 3
1 H1 GLY 1 HT1 GLY 1 -7.231 0.550 5.225
2 H2 GLY 1 HT2 GLY 1 -6.358 1.853 5.878
3 H3 GLY 1 HT3 GLY 1 -5.565 0.677 4.943
4 HA2 GLY 1 HA1 GLY 1 -7.782 2.002 3.678
5 HA3 GLY 1 HA2 GLY 1 -6.365 3.011 4.026
6 H ASN 2 HN ASN 2 -6.269 3.183 1.660
7 HA ASN 2 HA ASN 2 -5.025 0.739 0.412
8 HB2 ASN 2 HB2 ASN 2 -6.205 3.119 -1.030
9 HB3 ASN 2 HB1 ASN 2 -5.756 1.539 -1.705
10 HD21 ASN 2 HD21 ASN 2 -6.874 -0.300 -0.069
11 HD22 ASN 2 HD22 ASN 2 -8.627 -0.087 0.000
12 H HIS 3 HN HIS 3 -3.300 1.969 2.006
13 HA HIS 3 HA HIS 3 -1.927 4.229 0.944
14 HB2 HIS 3 HB2 HIS 3 -1.288 2.028 2.854
15 HB3 HIS 3 HB1 HIS 3 0.085 2.943 2.209
16 HD1 HIS 3 HD1 HIS 3 0.700 4.310 4.215
17 HD2 HIS 3 HD2 HIS 3 -3.410 4.316 3.496
18 HE1 HIS 3 HE1 HIS 3 -0.295 6.057 5.766
19 H TRP 4 HN TRP 4 0.575 3.898 0.405
20 HA TRP 4 HA TRP 4 0.554 2.627 -2.230
21 HB2 TRP 4 HB2 TRP 4 2.786 3.536 -2.463
22 HB3 TRP 4 HB1 TRP 4 1.710 4.768 -1.779
23 HD1 TRP 4 HD1 TRP 4 2.111 5.433 0.828
24 HE1 TRP 4 HE1 TRP 4 4.188 5.218 2.374
25 HE3 TRP 4 HE3 TRP 4 4.780 2.080 -1.949
26 HZ2 TRP 4 HZ2 TRP 4 6.603 3.800 2.363
27 HZ3 TRP 4 HZ3 TRP 4 6.974 1.336 -1.118
28 HH2 TRP 4 HH2 TRP 4 7.874 2.189 1.017
29 H ALA 5 HN ALA 5 2.047 1.999 0.939
30 HA ALA 5 HA ALA 5 3.694 -0.172 0.032
31 HB1 ALA 5 HB1 ALA 5 2.742 -0.333 2.835
32 HB2 ALA 5 HB2 ALA 5 3.409 1.246 2.370
33 HB3 ALA 5 HB3 ALA 5 4.395 -0.216 2.188
34 H VAL 6 HN VAL 6 0.319 0.112 0.498
35 HA VAL 6 HA VAL 6 -0.241 -2.603 1.252
36 HB VAL 6 HB VAL 6 -2.086 -0.803 -0.337
37 HG11 VAL 6 HG11 VAL 6 -2.463 -3.125 1.549
38 HG12 VAL 6 HG12 VAL 6 -3.029 -2.954 -0.119
39 HG13 VAL 6 HG13 VAL 6 -3.781 -1.999 1.179
40 HG21 VAL 6 HG21 VAL 6 -1.151 0.471 1.499
41 HG22 VAL 6 HG22 VAL 6 -1.595 -0.800 2.659
42 HG23 VAL 6 HG23 VAL 6 -2.864 0.124 1.811
43 H GLY 7 HN GLY 7 0.558 -1.044 -1.757
44 HA2 GLY 7 HA2 GLY 7 -0.506 -3.253 -3.396
45 HA3 GLY 7 HA1 GLY 7 0.397 -1.833 -3.957
46 H HIS 8 HN HIS 8 2.748 -1.866 -2.746
47 HA HIS 8 HA HIS 8 4.119 -4.023 -4.078
48 HB2 HIS 8 HB2 HIS 8 4.819 -1.668 -2.437
49 HB3 HIS 8 HB1 HIS 8 5.984 -2.998 -2.321
50 HD1 HIS 8 HD1 HIS 8 7.793 -2.883 -3.987
51 HD2 HIS 8 HD2 HIS 8 4.339 -0.929 -5.284
52 HE1 HIS 8 HE1 HIS 8 8.319 -1.951 -6.290
53 H LEU 9 HN LEU 9 4.078 -3.211 -0.579
54 HA LEU 9 HA LEU 9 5.151 -5.698 0.265
55 HB2 LEU 9 HB2 LEU 9 3.187 -4.083 1.896
56 HB3 LEU 9 HB1 LEU 9 4.532 -5.082 2.453
57 HG LEU 9 HG LEU 9 4.712 -2.407 1.060
58 HD11 LEU 9 HD11 LEU 9 5.375 -3.355 3.859
59 HD12 LEU 9 HD12 LEU 9 4.103 -2.204 3.394
60 HD13 LEU 9 HD13 LEU 9 5.819 -1.757 3.217
61 HD21 LEU 9 HD21 LEU 9 6.872 -4.357 1.912
62 HD22 LEU 9 HD22 LEU 9 7.180 -2.653 1.498
63 HD23 LEU 9 HD23 LEU 9 6.546 -3.767 0.265
64 H MET 10 HN MET 10 1.737 -4.636 0.646
65 HA MET 10 HA MET 10 0.936 -7.503 0.740
66 HB2 MET 10 HB2 MET 10 -0.446 -4.915 1.392
67 HB3 MET 10 HB1 MET 10 -1.337 -6.434 1.282
68 HG2 MET 10 HG2 MET 10 0.330 -7.368 2.982
69 HG3 MET 10 HG1 MET 10 0.809 -5.681 3.253
70 HE1 MET 10 HE1 MET 10 -0.940 -3.897 3.272
71 HE2 MET 10 HE2 MET 10 -2.678 -4.192 3.518
72 HE3 MET 10 HE3 MET 10 -1.618 -3.904 4.906
Start of MODEL 4
1 H1 GLY 1 HT1 GLY 1 -5.357 -0.424 5.314
2 H2 GLY 1 HT2 GLY 1 -6.090 -1.174 3.976
3 H3 GLY 1 HT3 GLY 1 -7.047 -0.508 5.213
4 HA2 GLY 1 HA1 GLY 1 -7.198 1.282 4.010
5 HA3 GLY 1 HA2 GLY 1 -5.502 1.556 4.454
6 H ASN 2 HN ASN 2 -5.816 2.751 2.293
7 HA ASN 2 HA ASN 2 -5.114 0.833 0.074
8 HB2 ASN 2 HB2 ASN 2 -5.981 2.693 -1.435
9 HB3 ASN 2 HB1 ASN 2 -7.195 1.785 -0.516
10 HD21 ASN 2 HD21 ASN 2 -8.782 3.040 0.248
11 HD22 ASN 2 HD22 ASN 2 -8.570 4.691 0.840
12 H HIS 3 HN HIS 3 -3.263 1.916 1.989
13 HA HIS 3 HA HIS 3 -1.924 4.229 0.943
14 HB2 HIS 3 HB2 HIS 3 -1.256 2.027 2.847
15 HB3 HIS 3 HB1 HIS 3 0.093 2.980 2.207
16 HD1 HIS 3 HD1 HIS 3 -1.372 2.805 5.192
17 HD2 HIS 3 HD2 HIS 3 -1.182 5.945 2.451
18 HE1 HIS 3 HE1 HIS 3 -1.861 4.925 6.498
19 H TRP 4 HN TRP 4 0.580 3.896 0.403
20 HA TRP 4 HA TRP 4 0.551 2.625 -2.230
21 HB2 TRP 4 HB2 TRP 4 2.781 3.534 -2.470
22 HB3 TRP 4 HB1 TRP 4 1.708 4.764 -1.783
23 HD1 TRP 4 HD1 TRP 4 2.114 5.430 0.821
24 HE1 TRP 4 HE1 TRP 4 4.192 5.216 2.365
25 HE3 TRP 4 HE3 TRP 4 4.778 2.077 -1.956
26 HZ2 TRP 4 HZ2 TRP 4 6.609 3.795 2.352
27 HZ3 TRP 4 HZ3 TRP 4 6.974 1.331 -1.129
28 HH2 TRP 4 HH2 TRP 4 7.876 2.182 1.005
29 H ALA 5 HN ALA 5 2.048 1.998 0.935
30 HA ALA 5 HA ALA 5 3.693 -0.177 0.029
31 HB1 ALA 5 HB1 ALA 5 3.393 1.243 2.369
32 HB2 ALA 5 HB2 ALA 5 4.400 -0.203 2.181
33 HB3 ALA 5 HB3 ALA 5 2.749 -0.347 2.832
34 H VAL 6 HN VAL 6 0.318 0.112 0.494
35 HA VAL 6 HA VAL 6 -0.253 -2.612 1.249
36 HB VAL 6 HB VAL 6 -2.091 -0.805 -0.342
37 HG11 VAL 6 HG11 VAL 6 -2.601 -2.948 1.738
38 HG12 VAL 6 HG12 VAL 6 -2.824 -3.129 -0.019
39 HG13 VAL 6 HG13 VAL 6 -3.846 -1.995 0.897
40 HG21 VAL 6 HG21 VAL 6 -2.871 0.114 1.815
41 HG22 VAL 6 HG22 VAL 6 -1.162 0.478 1.486
42 HG23 VAL 6 HG23 VAL 6 -1.584 -0.794 2.652
43 H GLY 7 HN GLY 7 0.556 -1.046 -1.760
44 HA2 GLY 7 HA2 GLY 7 -0.507 -3.258 -3.397
45 HA3 GLY 7 HA1 GLY 7 0.391 -1.837 -3.960
46 H HIS 8 HN HIS 8 2.742 -1.868 -2.730
47 HA HIS 8 HA HIS 8 4.120 -4.019 -4.072
48 HB2 HIS 8 HB2 HIS 8 4.825 -1.678 -2.393
49 HB3 HIS 8 HB1 HIS 8 6.001 -3.004 -2.353
50 HD1 HIS 8 HD1 HIS 8 7.800 -2.690 -4.000
51 HD2 HIS 8 HD2 HIS 8 4.119 -1.348 -5.442
52 HE1 HIS 8 HE1 HIS 8 8.243 -1.722 -6.305
53 H LEU 9 HN LEU 9 4.142 -3.199 -0.576
54 HA LEU 9 HA LEU 9 5.204 -5.677 0.275
55 HB2 LEU 9 HB2 LEU 9 3.231 -4.066 1.898
56 HB3 LEU 9 HB1 LEU 9 4.570 -5.066 2.463
57 HG LEU 9 HG LEU 9 4.769 -2.399 1.057
58 HD11 LEU 9 HD11 LEU 9 4.119 -2.188 3.386
59 HD12 LEU 9 HD12 LEU 9 5.831 -1.720 3.220
60 HD13 LEU 9 HD13 LEU 9 5.402 -3.317 3.873
61 HD21 LEU 9 HD21 LEU 9 6.615 -3.755 0.301
62 HD22 LEU 9 HD22 LEU 9 6.905 -4.355 1.952
63 HD23 LEU 9 HD23 LEU 9 7.234 -2.652 1.551
64 H MET 10 HN MET 10 1.778 -4.633 0.600
65 HA MET 10 HA MET 10 1.001 -7.518 0.693
66 HB2 MET 10 HB2 MET 10 -0.716 -5.071 1.180
67 HB3 MET 10 HB1 MET 10 -1.103 -6.759 1.563
68 HG2 MET 10 HG2 MET 10 1.193 -5.238 2.799
69 HG3 MET 10 HG1 MET 10 -0.418 -5.351 3.533
70 HE1 MET 10 HE1 MET 10 2.667 -6.326 4.555
71 HE2 MET 10 HE2 MET 10 2.958 -8.069 4.345
72 HE3 MET 10 HE3 MET 10 3.004 -6.985 2.936
Start of MODEL 5
1 H1 GLY 1 HT1 GLY 1 -7.295 1.159 4.674
2 H2 GLY 1 HT2 GLY 1 -8.649 1.740 3.829
3 H3 GLY 1 HT3 GLY 1 -8.136 2.510 5.254
4 HA2 GLY 1 HA1 GLY 1 -7.582 3.555 3.034
5 HA3 GLY 1 HA2 GLY 1 -6.341 3.464 4.298
6 H ASN 2 HN ASN 2 -6.663 3.267 1.123
7 HA ASN 2 HA ASN 2 -5.013 0.809 0.734
8 HB2 ASN 2 HB2 ASN 2 -7.013 1.350 -0.725
9 HB3 ASN 2 HB1 ASN 2 -6.070 2.710 -1.368
10 HD21 ASN 2 HD21 ASN 2 -5.193 -0.682 -0.492
11 HD22 ASN 2 HD22 ASN 2 -4.525 -1.072 -2.080
12 H HIS 3 HN HIS 3 -3.277 1.958 2.010
13 HA HIS 3 HA HIS 3 -1.925 4.234 0.936
14 HB2 HIS 3 HB2 HIS 3 -1.238 2.033 2.840
15 HB3 HIS 3 HB1 HIS 3 0.095 3.010 2.206
16 HD1 HIS 3 HD1 HIS 3 -2.594 2.898 4.713
17 HD2 HIS 3 HD2 HIS 3 -0.077 5.759 3.008
18 HE1 HIS 3 HE1 HIS 3 -2.795 4.978 6.155
19 H TRP 4 HN TRP 4 0.578 3.899 0.397
20 HA TRP 4 HA TRP 4 0.552 2.620 -2.232
21 HB2 TRP 4 HB2 TRP 4 2.786 3.524 -2.471
22 HB3 TRP 4 HB1 TRP 4 1.713 4.759 -1.791
23 HD1 TRP 4 HD1 TRP 4 2.115 5.433 0.813
24 HE1 TRP 4 HE1 TRP 4 4.190 5.221 2.358
25 HE3 TRP 4 HE3 TRP 4 4.778 2.067 -1.952
26 HZ2 TRP 4 HZ2 TRP 4 6.605 3.798 2.352
27 HZ3 TRP 4 HZ3 TRP 4 6.973 1.322 -1.120
28 HH2 TRP 4 HH2 TRP 4 7.873 2.181 1.013
29 H ALA 5 HN ALA 5 2.050 1.998 0.934
30 HA ALA 5 HA ALA 5 3.691 -0.178 0.036
31 HB1 ALA 5 HB1 ALA 5 4.363 -0.274 2.208
32 HB2 ALA 5 HB2 ALA 5 2.700 -0.279 2.843
33 HB3 ALA 5 HB3 ALA 5 3.463 1.247 2.344
34 H VAL 6 HN VAL 6 0.316 0.114 0.493
35 HA VAL 6 HA VAL 6 -0.261 -2.609 1.253
36 HB VAL 6 HB VAL 6 -2.092 -0.803 -0.347
37 HG11 VAL 6 HG11 VAL 6 -2.804 -3.148 0.004
38 HG12 VAL 6 HG12 VAL 6 -3.855 -1.991 0.855
39 HG13 VAL 6 HG13 VAL 6 -2.632 -2.912 1.755
40 HG21 VAL 6 HG21 VAL 6 -1.168 0.483 1.480
41 HG22 VAL 6 HG22 VAL 6 -1.589 -0.786 2.649
42 HG23 VAL 6 HG23 VAL 6 -2.875 0.121 1.809
43 H GLY 7 HN GLY 7 0.557 -1.049 -1.759
44 HA2 GLY 7 HA2 GLY 7 -0.505 -3.269 -3.391
45 HA3 GLY 7 HA1 GLY 7 0.388 -1.846 -3.959
46 H HIS 8 HN HIS 8 2.743 -1.859 -2.742
47 HA HIS 8 HA HIS 8 4.137 -3.990 -4.081
48 HB2 HIS 8 HB2 HIS 8 4.829 -1.696 -2.322
49 HB3 HIS 8 HB1 HIS 8 6.013 -3.014 -2.361
50 HD1 HIS 8 HD1 HIS 8 7.821 -2.444 -3.935
51 HD2 HIS 8 HD2 HIS 8 4.059 -1.406 -5.419
52 HE1 HIS 8 HE1 HIS 8 8.213 -1.411 -6.220
53 H LEU 9 HN LEU 9 4.058 -3.236 -0.570
54 HA LEU 9 HA LEU 9 5.155 -5.703 0.268
55 HB2 LEU 9 HB2 LEU 9 3.086 -4.170 1.849
56 HB3 LEU 9 HB1 LEU 9 4.426 -5.156 2.444
57 HG LEU 9 HG LEU 9 4.615 -2.450 1.109
58 HD11 LEU 9 HD11 LEU 9 3.915 -2.250 3.399
59 HD12 LEU 9 HD12 LEU 9 5.651 -1.853 3.339
60 HD13 LEU 9 HD13 LEU 9 5.122 -3.446 3.921
61 HD21 LEU 9 HD21 LEU 9 6.504 -3.752 0.365
62 HD22 LEU 9 HD22 LEU 9 6.771 -4.377 2.010
63 HD23 LEU 9 HD23 LEU 9 7.067 -2.660 1.650
64 H MET 10 HN MET 10 1.694 -4.753 0.491
65 HA MET 10 HA MET 10 0.999 -7.668 0.440
66 HB2 MET 10 HB2 MET 10 -0.557 -5.217 1.281
67 HB3 MET 10 HB1 MET 10 -1.245 -6.847 1.191
68 HG2 MET 10 HG2 MET 10 0.565 -7.586 2.794
69 HG3 MET 10 HG1 MET 10 0.954 -5.868 3.014
70 HE1 MET 10 HE1 MET 10 -2.467 -4.545 3.388
71 HE2 MET 10 HE2 MET 10 -1.587 -4.265 4.904
72 HE3 MET 10 HE3 MET 10 -0.727 -4.167 3.352
Start of MODEL 6
1 H1 GLY 1 HT1 GLY 1 -6.747 5.577 -1.053
2 H2 GLY 1 HT2 GLY 1 -8.297 6.130 -0.628
3 H3 GLY 1 HT3 GLY 1 -8.015 5.478 -2.171
4 HA2 GLY 1 HA1 GLY 1 -9.009 4.161 -0.066
5 HA3 GLY 1 HA2 GLY 1 -8.289 3.432 -1.513
6 H ASN 2 HN ASN 2 -6.576 2.153 -1.284
7 HA ASN 2 HA ASN 2 -5.473 1.808 1.433
8 HB2 ASN 2 HB2 ASN 2 -5.033 0.369 -1.189
9 HB3 ASN 2 HB1 ASN 2 -4.207 -0.050 0.297
10 HD21 ASN 2 HD21 ASN 2 -7.366 0.187 -1.301
11 HD22 ASN 2 HD22 ASN 2 -8.187 -0.963 -0.240
12 H HIS 3 HN HIS 3 -3.300 1.975 2.005
13 HA HIS 3 HA HIS 3 -1.922 4.230 0.940
14 HB2 HIS 3 HB2 HIS 3 -1.299 2.039 2.865
15 HB3 HIS 3 HB1 HIS 3 0.086 2.926 2.206
16 HD1 HIS 3 HD1 HIS 3 -2.296 2.924 4.902
17 HD2 HIS 3 HD2 HIS 3 -0.201 5.819 2.743
18 HE1 HIS 3 HE1 HIS 3 -2.454 5.073 6.246
19 H TRP 4 HN TRP 4 0.578 3.896 0.401
20 HA TRP 4 HA TRP 4 0.555 2.621 -2.232
21 HB2 TRP 4 HB2 TRP 4 2.788 3.527 -2.467
22 HB3 TRP 4 HB1 TRP 4 1.713 4.762 -1.788
23 HD1 TRP 4 HD1 TRP 4 2.112 5.431 0.821
24 HE1 TRP 4 HE1 TRP 4 4.187 5.220 2.366
25 HE3 TRP 4 HE3 TRP 4 4.781 2.072 -1.950
26 HZ2 TRP 4 HZ2 TRP 4 6.605 3.799 2.361
27 HZ3 TRP 4 HZ3 TRP 4 6.974 1.328 -1.116
28 HH2 TRP 4 HH2 TRP 4 7.875 2.185 1.017
29 H ALA 5 HN ALA 5 2.050 1.998 0.938
30 HA ALA 5 HA ALA 5 3.696 -0.181 0.038
31 HB1 ALA 5 HB1 ALA 5 4.419 0.528 2.096
32 HB2 ALA 5 HB2 ALA 5 3.331 -0.760 2.659
33 HB3 ALA 5 HB3 ALA 5 2.775 0.924 2.639
34 H VAL 6 HN VAL 6 0.317 0.113 0.497
35 HA VAL 6 HA VAL 6 -0.243 -2.603 1.256
36 HB VAL 6 HB VAL 6 -2.087 -0.804 -0.340
37 HG11 VAL 6 HG11 VAL 6 -3.053 -2.935 -0.121
38 HG12 VAL 6 HG12 VAL 6 -3.777 -2.024 1.218
39 HG13 VAL 6 HG13 VAL 6 -2.447 -3.144 1.533
40 HG21 VAL 6 HG21 VAL 6 -1.352 -0.723 2.590
41 HG22 VAL 6 HG22 VAL 6 -2.884 -0.048 2.010
42 HG23 VAL 6 HG23 VAL 6 -1.351 0.574 1.391
43 H GLY 7 HN GLY 7 0.556 -1.046 -1.756
44 HA2 GLY 7 HA2 GLY 7 -0.508 -3.261 -3.392
45 HA3 GLY 7 HA1 GLY 7 0.389 -1.838 -3.956
46 H HIS 8 HN HIS 8 2.742 -1.862 -2.741
47 HA HIS 8 HA HIS 8 4.128 -4.000 -4.081
48 HB2 HIS 8 HB2 HIS 8 4.822 -1.680 -2.370
49 HB3 HIS 8 HB1 HIS 8 5.999 -3.005 -2.343
50 HD1 HIS 8 HD1 HIS 8 7.816 -2.623 -3.956
51 HD2 HIS 8 HD2 HIS 8 4.125 -1.359 -5.439
52 HE1 HIS 8 HE1 HIS 8 8.265 -1.635 -6.250
53 H LEU 9 HN LEU 9 4.147 -3.222 -0.578
54 HA LEU 9 HA LEU 9 5.198 -5.715 0.244
55 HB2 LEU 9 HB2 LEU 9 3.230 -4.107 1.879
56 HB3 LEU 9 HB1 LEU 9 4.558 -5.128 2.442
57 HG LEU 9 HG LEU 9 4.778 -2.442 1.075
58 HD11 LEU 9 HD11 LEU 9 5.473 -1.592 3.149
59 HD12 LEU 9 HD12 LEU 9 5.827 -3.211 3.796
60 HD13 LEU 9 HD13 LEU 9 4.142 -2.689 3.588
61 HD21 LEU 9 HD21 LEU 9 6.608 -3.788 0.276
62 HD22 LEU 9 HD22 LEU 9 6.907 -4.433 1.908
63 HD23 LEU 9 HD23 LEU 9 7.244 -2.721 1.551
64 H MET 10 HN MET 10 1.788 -4.680 0.710
65 HA MET 10 HA MET 10 0.977 -7.516 0.860
66 HB2 MET 10 HB2 MET 10 -0.527 -4.909 1.154
67 HB3 MET 10 HB1 MET 10 -1.299 -6.499 1.241
68 HG2 MET 10 HG2 MET 10 1.037 -5.938 3.019
69 HG3 MET 10 HG1 MET 10 -0.540 -5.262 3.433
70 HE1 MET 10 HE1 MET 10 1.099 -9.265 4.196
71 HE2 MET 10 HE2 MET 10 0.791 -9.251 2.447
72 HE3 MET 10 HE3 MET 10 1.798 -7.988 3.183
Start of MODEL 7
1 H1 GLY 1 HT1 GLY 1 -7.254 4.677 5.449
2 H2 GLY 1 HT2 GLY 1 -8.500 5.210 4.423
3 H3 GLY 1 HT3 GLY 1 -6.967 4.847 3.787
4 HA2 GLY 1 HA1 GLY 1 -8.110 2.694 5.248
5 HA3 GLY 1 HA2 GLY 1 -9.088 3.205 3.860
6 H ASN 2 HN ASN 2 -6.522 4.221 2.553
7 HA ASN 2 HA ASN 2 -5.308 1.566 1.857
8 HB2 ASN 2 HB2 ASN 2 -7.033 2.090 0.179
9 HB3 ASN 2 HB1 ASN 2 -6.262 3.660 -0.119
10 HD21 ASN 2 HD21 ASN 2 -5.704 3.347 -2.268
11 HD22 ASN 2 HD22 ASN 2 -4.530 2.127 -2.773
12 H HIS 3 HN HIS 3 -3.235 1.700 0.822
13 HA HIS 3 HA HIS 3 -1.862 4.331 0.973
14 HB2 HIS 3 HB2 HIS 3 -1.397 2.047 2.835
15 HB3 HIS 3 HB1 HIS 3 0.043 2.882 2.226
16 HD1 HIS 3 HD1 HIS 3 0.592 5.107 3.283
17 HD2 HIS 3 HD2 HIS 3 -3.271 3.809 4.187
18 HE1 HIS 3 HE1 HIS 3 -0.262 6.630 5.126
19 H TRP 4 HN TRP 4 0.610 3.858 0.451
20 HA TRP 4 HA TRP 4 0.524 2.597 -2.203
21 HB2 TRP 4 HB2 TRP 4 2.774 3.473 -2.459
22 HB3 TRP 4 HB1 TRP 4 1.706 4.727 -1.806
23 HD1 TRP 4 HD1 TRP 4 2.108 5.447 0.789
24 HE1 TRP 4 HE1 TRP 4 4.180 5.252 2.340
25 HE3 TRP 4 HE3 TRP 4 4.760 2.020 -1.912
26 HZ2 TRP 4 HZ2 TRP 4 6.590 3.821 2.362
27 HZ3 TRP 4 HZ3 TRP 4 6.951 1.281 -1.064
28 HH2 TRP 4 HH2 TRP 4 7.853 2.176 1.054
29 H ALA 5 HN ALA 5 2.060 2.000 0.954
30 HA ALA 5 HA ALA 5 3.677 -0.194 0.073
31 HB1 ALA 5 HB1 ALA 5 3.536 1.235 2.344
32 HB2 ALA 5 HB2 ALA 5 4.299 -0.364 2.269
33 HB3 ALA 5 HB3 ALA 5 2.635 -0.200 2.879
34 H VAL 6 HN VAL 6 0.306 0.114 0.489
35 HA VAL 6 HA VAL 6 -0.299 -2.576 1.287
36 HB VAL 6 HB VAL 6 -2.094 -0.803 -0.377
37 HG11 VAL 6 HG11 VAL 6 -2.637 -2.931 1.710
38 HG12 VAL 6 HG12 VAL 6 -2.871 -3.097 -0.047
39 HG13 VAL 6 HG13 VAL 6 -3.875 -1.958 0.883
40 HG21 VAL 6 HG21 VAL 6 -1.191 0.503 1.452
41 HG22 VAL 6 HG22 VAL 6 -1.649 -0.749 2.627
42 HG23 VAL 6 HG23 VAL 6 -2.909 0.158 1.749
43 H GLY 7 HN GLY 7 0.582 -1.089 -1.739
44 HA2 GLY 7 HA2 GLY 7 -0.459 -3.336 -3.351
45 HA3 GLY 7 HA1 GLY 7 0.439 -1.921 -3.930
46 H HIS 8 HN HIS 8 2.795 -1.842 -3.013
47 HA HIS 8 HA HIS 8 4.211 -3.974 -4.199
48 HB2 HIS 8 HB2 HIS 8 4.860 -1.717 -2.381
49 HB3 HIS 8 HB1 HIS 8 6.048 -3.032 -2.414
50 HD1 HIS 8 HD1 HIS 8 7.890 -2.431 -3.935
51 HD2 HIS 8 HD2 HIS 8 4.163 -1.373 -5.489
52 HE1 HIS 8 HE1 HIS 8 8.334 -1.357 -6.191
53 H LEU 9 HN LEU 9 4.116 -3.303 -0.673
54 HA LEU 9 HA LEU 9 5.208 -5.748 0.157
55 HB2 LEU 9 HB2 LEU 9 3.000 -4.329 1.654
56 HB3 LEU 9 HB1 LEU 9 4.320 -5.304 2.304
57 HG LEU 9 HG LEU 9 4.541 -2.554 1.065
58 HD11 LEU 9 HD11 LEU 9 3.700 -2.396 3.291
59 HD12 LEU 9 HD12 LEU 9 5.441 -2.035 3.389
60 HD13 LEU 9 HD13 LEU 9 4.836 -3.633 3.872
61 HD21 LEU 9 HD21 LEU 9 6.494 -3.781 0.402
62 HD22 LEU 9 HD22 LEU 9 6.666 -4.470 2.035
63 HD23 LEU 9 HD23 LEU 9 6.953 -2.734 1.763
64 H MET 10 HN MET 10 1.705 -4.942 0.130
65 HA MET 10 HA MET 10 1.177 -7.879 -0.308
66 HB2 MET 10 HB2 MET 10 -0.897 -7.586 0.956
67 HB3 MET 10 HB1 MET 10 0.520 -7.190 1.945
68 HG2 MET 10 HG2 MET 10 0.064 -4.769 1.232
69 HG3 MET 10 HG1 MET 10 -1.548 -5.333 0.757
70 HE1 MET 10 HE1 MET 10 0.420 -3.967 4.136
71 HE2 MET 10 HE2 MET 10 0.401 -5.584 4.880
72 HE3 MET 10 HE3 MET 10 1.159 -5.346 3.286
Start of MODEL 8
1 H1 GLY 1 HT1 GLY 1 -6.264 2.700 -3.285
2 H2 GLY 1 HT2 GLY 1 -7.462 3.462 -2.350
3 H3 GLY 1 HT3 GLY 1 -7.880 2.202 -3.413
4 HA2 GLY 1 HA1 GLY 1 -7.793 0.915 -1.662
5 HA3 GLY 1 HA2 GLY 1 -6.041 1.017 -1.918
6 H ASN 2 HN ASN 2 -5.062 1.211 -0.024
7 HA ASN 2 HA ASN 2 -6.242 3.155 1.960
8 HB2 ASN 2 HB2 ASN 2 -4.823 0.530 2.364
9 HB3 ASN 2 HB1 ASN 2 -4.979 1.725 3.660
10 HD21 ASN 2 HD21 ASN 2 -7.518 2.684 3.371
11 HD22 ASN 2 HD22 ASN 2 -8.683 1.367 3.545
12 H HIS 3 HN HIS 3 -3.213 1.668 0.752
13 HA HIS 3 HA HIS 3 -1.882 4.292 0.956
14 HB2 HIS 3 HB2 HIS 3 -1.367 2.050 2.846
15 HB3 HIS 3 HB1 HIS 3 0.061 2.889 2.218
16 HD1 HIS 3 HD1 HIS 3 0.349 5.388 2.928
17 HD2 HIS 3 HD2 HIS 3 -2.804 3.349 4.756
18 HE1 HIS 3 HE1 HIS 3 -0.453 6.866 4.830
19 H TRP 4 HN TRP 4 0.600 3.874 0.428
20 HA TRP 4 HA TRP 4 0.538 2.605 -2.214
21 HB2 TRP 4 HB2 TRP 4 2.784 3.491 -2.462
22 HB3 TRP 4 HB1 TRP 4 1.713 4.738 -1.798
23 HD1 TRP 4 HD1 TRP 4 2.112 5.439 0.800
24 HE1 TRP 4 HE1 TRP 4 4.185 5.237 2.351
25 HE3 TRP 4 HE3 TRP 4 4.770 2.035 -1.924
26 HZ2 TRP 4 HZ2 TRP 4 6.595 3.809 2.364
27 HZ3 TRP 4 HZ3 TRP 4 6.960 1.292 -1.080
28 HH2 TRP 4 HH2 TRP 4 7.861 2.173 1.046
29 H ALA 5 HN ALA 5 2.057 1.997 0.947
30 HA ALA 5 HA ALA 5 3.684 -0.191 0.058
31 HB1 ALA 5 HB1 ALA 5 4.374 -0.217 2.217
32 HB2 ALA 5 HB2 ALA 5 2.715 -0.316 2.861
33 HB3 ALA 5 HB3 ALA 5 3.399 1.241 2.372
34 H VAL 6 HN VAL 6 0.312 0.112 0.492
35 HA VAL 6 HA VAL 6 -0.279 -2.585 1.277
36 HB VAL 6 HB VAL 6 -2.093 -0.802 -0.359
37 HG11 VAL 6 HG11 VAL 6 -2.912 -3.061 -0.067
38 HG12 VAL 6 HG12 VAL 6 -3.854 -1.963 0.972
39 HG13 VAL 6 HG13 VAL 6 -2.582 -2.989 1.679
40 HG21 VAL 6 HG21 VAL 6 -1.846 -0.799 2.658
41 HG22 VAL 6 HG22 VAL 6 -2.801 0.278 1.638
42 HG23 VAL 6 HG23 VAL 6 -1.051 0.385 1.603
43 H GLY 7 HN GLY 7 0.570 -1.073 -1.745
44 HA2 GLY 7 HA2 GLY 7 -0.480 -3.308 -3.366
45 HA3 GLY 7 HA1 GLY 7 0.416 -1.890 -3.939
46 H HIS 8 HN HIS 8 2.775 -1.843 -2.908
47 HA HIS 8 HA HIS 8 4.178 -3.984 -4.153
48 HB2 HIS 8 HB2 HIS 8 4.852 -1.708 -2.362
49 HB3 HIS 8 HB1 HIS 8 6.041 -3.021 -2.415
50 HD1 HIS 8 HD1 HIS 8 7.853 -2.406 -3.966
51 HD2 HIS 8 HD2 HIS 8 4.143 -1.019 -5.283
52 HE1 HIS 8 HE1 HIS 8 8.250 -1.346 -6.237
53 H LEU 9 HN LEU 9 3.745 -3.301 -0.653
54 HA LEU 9 HA LEU 9 4.914 -5.824 0.139
55 HB2 LEU 9 HB2 LEU 9 2.991 -4.229 1.830
56 HB3 LEU 9 HB1 LEU 9 4.354 -5.229 2.336
57 HG LEU 9 HG LEU 9 4.565 -2.562 0.918
58 HD11 LEU 9 HD11 LEU 9 4.952 -3.400 3.788
59 HD12 LEU 9 HD12 LEU 9 3.782 -2.230 3.173
60 HD13 LEU 9 HD13 LEU 9 5.525 -1.850 3.147
61 HD21 LEU 9 HD21 LEU 9 6.438 -4.003 0.346
62 HD22 LEU 9 HD22 LEU 9 6.663 -4.420 2.061
63 HD23 LEU 9 HD23 LEU 9 6.975 -2.761 1.499
64 H MET 10 HN MET 10 1.540 -4.673 0.590
65 HA MET 10 HA MET 10 0.635 -7.490 0.670
66 HB2 MET 10 HB2 MET 10 -0.567 -4.819 1.280
67 HB3 MET 10 HB1 MET 10 -1.655 -6.165 0.935
68 HG2 MET 10 HG2 MET 10 -1.493 -6.360 3.213
69 HG3 MET 10 HG1 MET 10 -0.122 -7.378 2.754
70 HE1 MET 10 HE1 MET 10 1.265 -7.287 4.825
71 HE2 MET 10 HE2 MET 10 2.315 -6.918 3.437
72 HE3 MET 10 HE3 MET 10 2.492 -6.005 4.955
Start of MODEL 9
1 H1 GLY 1 HT1 GLY 1 -10.092 3.257 2.163
2 H2 GLY 1 HT2 GLY 1 -9.507 4.852 2.215
3 H3 GLY 1 HT3 GLY 1 -8.645 3.601 2.976
4 HA2 GLY 1 HA1 GLY 1 -9.180 3.268 0.163
5 HA3 GLY 1 HA2 GLY 1 -8.046 4.557 0.611
6 H ASN 2 HN ASN 2 -6.317 3.467 -0.373
7 HA ASN 2 HA ASN 2 -5.188 1.326 1.373
8 HB2 ASN 2 HB2 ASN 2 -4.435 0.129 -0.757
9 HB3 ASN 2 HB1 ASN 2 -6.149 -0.013 -0.323
10 HD21 ASN 2 HD21 ASN 2 -3.943 0.734 -2.796
11 HD22 ASN 2 HD22 ASN 2 -5.079 1.500 -3.910
12 H HIS 3 HN HIS 3 -3.306 2.018 2.047
13 HA HIS 3 HA HIS 3 -1.907 4.228 0.954
14 HB2 HIS 3 HB2 HIS 3 -1.260 2.026 2.862
15 HB3 HIS 3 HB1 HIS 3 0.103 2.958 2.219
16 HD1 HIS 3 HD1 HIS 3 -3.126 3.307 4.206
17 HD2 HIS 3 HD2 HIS 3 0.471 5.320 3.539
18 HE1 HIS 3 HE1 HIS 3 -3.123 5.307 5.772
19 H TRP 4 HN TRP 4 0.575 3.913 0.383
20 HA TRP 4 HA TRP 4 0.542 2.622 -2.235
21 HB2 TRP 4 HB2 TRP 4 2.778 3.521 -2.482
22 HB3 TRP 4 HB1 TRP 4 1.708 4.758 -1.800
23 HD1 TRP 4 HD1 TRP 4 2.118 5.433 0.802
24 HE1 TRP 4 HE1 TRP 4 4.198 5.222 2.343
25 HE3 TRP 4 HE3 TRP 4 4.773 2.066 -1.967
26 HZ2 TRP 4 HZ2 TRP 4 6.613 3.799 2.332
27 HZ3 TRP 4 HZ3 TRP 4 6.968 1.320 -1.139
28 HH2 TRP 4 HH2 TRP 4 7.875 2.180 0.990
29 H ALA 5 HN ALA 5 2.052 2.001 0.926
30 HA ALA 5 HA ALA 5 3.689 -0.179 0.025
31 HB1 ALA 5 HB1 ALA 5 3.432 1.246 2.346
32 HB2 ALA 5 HB2 ALA 5 4.378 -0.244 2.189
33 HB3 ALA 5 HB3 ALA 5 2.718 -0.306 2.831
34 H VAL 6 HN VAL 6 0.317 0.115 0.481
35 HA VAL 6 HA VAL 6 -0.255 -2.581 1.246
36 HB VAL 6 HB VAL 6 -2.094 -0.799 -0.355
37 HG11 VAL 6 HG11 VAL 6 -2.640 -2.915 1.739
38 HG12 VAL 6 HG12 VAL 6 -2.808 -3.139 -0.011
39 HG13 VAL 6 HG13 VAL 6 -3.856 -1.987 0.845
40 HG21 VAL 6 HG21 VAL 6 -1.166 0.483 1.476
41 HG22 VAL 6 HG22 VAL 6 -1.600 -0.785 2.641
42 HG23 VAL 6 HG23 VAL 6 -2.878 0.127 1.793
43 H GLY 7 HN GLY 7 0.555 -1.049 -1.769
44 HA2 GLY 7 HA2 GLY 7 -0.502 -3.272 -3.397
45 HA3 GLY 7 HA1 GLY 7 0.386 -1.846 -3.966
46 H HIS 8 HN HIS 8 2.736 -1.866 -2.706
47 HA HIS 8 HA HIS 8 4.139 -3.990 -4.062
48 HB2 HIS 8 HB2 HIS 8 4.838 -1.713 -2.267
49 HB3 HIS 8 HB1 HIS 8 6.030 -3.019 -2.385
50 HD1 HIS 8 HD1 HIS 8 7.799 -2.248 -3.931
51 HD2 HIS 8 HD2 HIS 8 3.966 -1.456 -5.388
52 HE1 HIS 8 HE1 HIS 8 8.107 -1.174 -6.209
53 H LEU 9 HN LEU 9 3.784 -3.259 -0.560
54 HA LEU 9 HA LEU 9 4.943 -5.775 0.246
55 HB2 LEU 9 HB2 LEU 9 3.042 -4.144 1.932
56 HB3 LEU 9 HB1 LEU 9 4.399 -5.153 2.444
57 HG LEU 9 HG LEU 9 4.562 -2.470 1.055
58 HD11 LEU 9 HD11 LEU 9 5.704 -1.841 3.213
59 HD12 LEU 9 HD12 LEU 9 5.190 -3.415 3.856
60 HD13 LEU 9 HD13 LEU 9 3.970 -2.217 3.372
61 HD21 LEU 9 HD21 LEU 9 7.017 -2.698 1.433
62 HD22 LEU 9 HD22 LEU 9 6.376 -3.874 0.263
63 HD23 LEU 9 HD23 LEU 9 6.739 -4.384 1.929
64 H MET 10 HN MET 10 1.576 -4.615 0.736
65 HA MET 10 HA MET 10 0.646 -7.392 0.967
66 HB2 MET 10 HB2 MET 10 -0.600 -4.681 1.206
67 HB3 MET 10 HB1 MET 10 -1.645 -6.079 1.006
68 HG2 MET 10 HG2 MET 10 -1.555 -5.979 3.299
69 HG3 MET 10 HG1 MET 10 -0.162 -7.017 3.007
70 HE1 MET 10 HE1 MET 10 -1.639 -3.752 3.607
71 HE2 MET 10 HE2 MET 10 -0.767 -3.373 5.099
72 HE3 MET 10 HE3 MET 10 -0.306 -2.583 3.579
Start of MODEL 10
1 H1 GLY 1 HT1 GLY 1 -7.411 1.453 5.434
2 H2 GLY 1 HT2 GLY 1 -6.005 2.349 5.760
3 H3 GLY 1 HT3 GLY 1 -5.901 0.868 4.934
4 HA2 GLY 1 HA1 GLY 1 -7.675 2.422 3.529
5 HA3 GLY 1 HA2 GLY 1 -6.285 3.447 3.932
6 H ASN 2 HN ASN 2 -6.547 3.126 1.366
7 HA ASN 2 HA ASN 2 -4.994 0.728 0.512
8 HB2 ASN 2 HB2 ASN 2 -5.521 1.508 -1.772
9 HB3 ASN 2 HB1 ASN 2 -6.977 1.276 -0.785
10 HD21 ASN 2 HD21 ASN 2 -5.609 3.257 -3.044
11 HD22 ASN 2 HD22 ASN 2 -6.407 4.775 -2.618
12 H HIS 3 HN HIS 3 -3.305 2.002 1.997
13 HA HIS 3 HA HIS 3 -1.923 4.234 0.902
14 HB2 HIS 3 HB2 HIS 3 -1.289 2.062 2.844
15 HB3 HIS 3 HB1 HIS 3 0.085 2.971 2.194
16 HD1 HIS 3 HD1 HIS 3 -1.975 2.877 5.024
17 HD2 HIS 3 HD2 HIS 3 -0.988 5.972 2.406
18 HE1 HIS 3 HE1 HIS 3 -2.277 5.037 6.322
19 H TRP 4 HN TRP 4 0.582 3.900 0.380
20 HA TRP 4 HA TRP 4 0.574 2.604 -2.239
21 HB2 TRP 4 HB2 TRP 4 2.811 3.505 -2.468
22 HB3 TRP 4 HB1 TRP 4 1.735 4.744 -1.797
23 HD1 TRP 4 HD1 TRP 4 2.122 5.427 0.805
24 HE1 TRP 4 HE1 TRP 4 4.186 5.216 2.365
25 HE3 TRP 4 HE3 TRP 4 4.797 2.043 -1.926
26 HZ2 TRP 4 HZ2 TRP 4 6.598 3.787 2.385
27 HZ3 TRP 4 HZ3 TRP 4 6.982 1.295 -1.074
28 HH2 TRP 4 HH2 TRP 4 7.870 2.161 1.060
29 H ALA 5 HN ALA 5 2.043 1.994 0.942
30 HA ALA 5 HA ALA 5 3.689 -0.191 0.068
31 HB1 ALA 5 HB1 ALA 5 4.294 -0.368 2.273
32 HB2 ALA 5 HB2 ALA 5 2.628 -0.176 2.871
33 HB3 ALA 5 HB3 ALA 5 3.552 1.242 2.328
34 H VAL 6 HN VAL 6 0.311 0.113 0.508
35 HA VAL 6 HA VAL 6 -0.274 -2.606 1.275
36 HB VAL 6 HB VAL 6 -2.099 -0.799 -0.332
37 HG11 VAL 6 HG11 VAL 6 -2.624 -2.932 1.758
38 HG12 VAL 6 HG12 VAL 6 -2.842 -3.120 -0.000
39 HG13 VAL 6 HG13 VAL 6 -3.863 -1.979 0.909
40 HG21 VAL 6 HG21 VAL 6 -1.629 -0.782 2.670
41 HG22 VAL 6 HG22 VAL 6 -2.877 0.151 1.801
42 HG23 VAL 6 HG23 VAL 6 -1.156 0.477 1.511
43 H GLY 7 HN GLY 7 0.556 -1.055 -1.737
44 HA2 GLY 7 HA2 GLY 7 -0.502 -3.284 -3.365
45 HA3 GLY 7 HA1 GLY 7 0.379 -1.855 -3.938
46 H HIS 8 HN HIS 8 2.740 -1.830 -2.797
47 HA HIS 8 HA HIS 8 4.157 -3.932 -4.121
48 HB2 HIS 8 HB2 HIS 8 4.842 -1.721 -2.233
49 HB3 HIS 8 HB1 HIS 8 6.041 -3.012 -2.433
50 HD1 HIS 8 HD1 HIS 8 7.793 -1.996 -3.873
51 HD2 HIS 8 HD2 HIS 8 3.944 -1.476 -5.405
52 HE1 HIS 8 HE1 HIS 8 8.065 -0.843 -6.119
53 H LEU 9 HN LEU 9 3.928 -3.278 -0.595
54 HA LEU 9 HA LEU 9 5.047 -5.798 0.159
55 HB2 LEU 9 HB2 LEU 9 3.077 -4.255 1.846
56 HB3 LEU 9 HB1 LEU 9 4.442 -5.253 2.365
57 HG LEU 9 HG LEU 9 4.561 -2.519 1.073
58 HD11 LEU 9 HD11 LEU 9 3.975 -2.391 3.405
59 HD12 LEU 9 HD12 LEU 9 5.695 -1.953 3.249
60 HD13 LEU 9 HD13 LEU 9 5.236 -3.569 3.828
61 HD21 LEU 9 HD21 LEU 9 7.022 -2.706 1.435
62 HD22 LEU 9 HD22 LEU 9 6.401 -3.838 0.209
63 HD23 LEU 9 HD23 LEU 9 6.783 -4.421 1.848
64 H MET 10 HN MET 10 1.637 -4.717 0.524
65 HA MET 10 HA MET 10 0.810 -7.581 0.510
66 HB2 MET 10 HB2 MET 10 -0.397 -4.995 1.415
67 HB3 MET 10 HB1 MET 10 -1.497 -6.311 0.961
68 HG2 MET 10 HG2 MET 10 -1.236 -6.631 3.242
69 HG3 MET 10 HG1 MET 10 -0.025 -7.741 2.587
70 HE1 MET 10 HE1 MET 10 -0.592 -5.063 5.295
71 HE2 MET 10 HE2 MET 10 0.618 -3.821 4.895
72 HE3 MET 10 HE3 MET 10 -0.719 -4.156 3.769
Start of MODEL 11
1 H1 GLY 1 HT1 GLY 1 -8.712 2.463 2.612
2 H2 GLY 1 HT2 GLY 1 -8.290 3.867 3.471
3 H3 GLY 1 HT3 GLY 1 -9.095 2.594 4.257
4 HA2 GLY 1 HA1 GLY 1 -6.461 3.016 4.269
5 HA3 GLY 1 HA2 GLY 1 -7.272 1.481 4.638
6 H ASN 2 HN ASN 2 -6.035 3.430 1.899
7 HA ASN 2 HA ASN 2 -5.035 0.869 0.689
8 HB2 ASN 2 HB2 ASN 2 -6.486 3.121 -0.731
9 HB3 ASN 2 HB1 ASN 2 -5.617 1.807 -1.550
10 HD21 ASN 2 HD21 ASN 2 -6.383 -0.239 0.446
11 HD22 ASN 2 HD22 ASN 2 -8.090 -0.566 0.147
12 H HIS 3 HN HIS 3 -3.221 1.934 2.083
13 HA HIS 3 HA HIS 3 -1.888 4.246 1.025
14 HB2 HIS 3 HB2 HIS 3 -1.208 2.027 2.901
15 HB3 HIS 3 HB1 HIS 3 0.145 2.955 2.233
16 HD1 HIS 3 HD1 HIS 3 -2.843 3.155 4.515
17 HD2 HIS 3 HD2 HIS 3 0.413 5.484 3.335
18 HE1 HIS 3 HE1 HIS 3 -2.836 5.194 6.028
19 H TRP 4 HN TRP 4 0.592 3.904 0.413
20 HA TRP 4 HA TRP 4 0.490 2.638 -2.222
21 HB2 TRP 4 HB2 TRP 4 2.731 3.524 -2.505
22 HB3 TRP 4 HB1 TRP 4 1.674 4.764 -1.808
23 HD1 TRP 4 HD1 TRP 4 2.121 5.435 0.792
24 HE1 TRP 4 HE1 TRP 4 4.226 5.222 2.297
25 HE3 TRP 4 HE3 TRP 4 4.732 2.069 -2.024
26 HZ2 TRP 4 HZ2 TRP 4 6.639 3.798 2.247
27 HZ3 TRP 4 HZ3 TRP 4 6.940 1.320 -1.233
28 HH2 TRP 4 HH2 TRP 4 7.881 2.178 0.883
29 H ALA 5 HN ALA 5 2.078 1.995 0.900
30 HA ALA 5 HA ALA 5 3.687 -0.183 -0.046
31 HB1 ALA 5 HB1 ALA 5 4.483 0.019 2.047
32 HB2 ALA 5 HB2 ALA 5 2.945 -0.568 2.723
33 HB3 ALA 5 HB3 ALA 5 3.182 1.160 2.410
34 H VAL 6 HN VAL 6 0.321 0.111 0.438
35 HA VAL 6 HA VAL 6 -0.246 -2.581 1.180
36 HB VAL 6 HB VAL 6 -2.075 -0.790 -0.406
37 HG11 VAL 6 HG11 VAL 6 -2.510 -3.361 0.351
38 HG12 VAL 6 HG12 VAL 6 -3.782 -2.147 0.241
39 HG13 VAL 6 HG13 VAL 6 -3.071 -2.529 1.807
40 HG21 VAL 6 HG21 VAL 6 -2.870 0.128 1.739
41 HG22 VAL 6 HG22 VAL 6 -1.158 0.479 1.433
42 HG23 VAL 6 HG23 VAL 6 -1.602 -0.778 2.596
43 H GLY 7 HN GLY 7 0.563 -1.056 -1.816
44 HA2 GLY 7 HA2 GLY 7 -0.500 -3.278 -3.446
45 HA3 GLY 7 HA1 GLY 7 0.386 -1.853 -4.016
46 H HIS 8 HN HIS 8 2.715 -1.931 -2.592
47 HA HIS 8 HA HIS 8 4.091 -4.126 -3.959
48 HB2 HIS 8 HB2 HIS 8 4.872 -1.713 -2.377
49 HB3 HIS 8 HB1 HIS 8 6.059 -3.022 -2.514
50 HD1 HIS 8 HD1 HIS 8 7.678 -2.487 -4.291
51 HD2 HIS 8 HD2 HIS 8 3.847 -1.106 -5.212
52 HE1 HIS 8 HE1 HIS 8 7.813 -1.505 -6.628
53 H LEU 9 HN LEU 9 4.283 -3.028 -0.549
54 HA LEU 9 HA LEU 9 5.328 -5.489 0.419
55 HB2 LEU 9 HB2 LEU 9 3.612 -3.596 2.035
56 HB3 LEU 9 HB1 LEU 9 4.901 -4.663 2.596
57 HG LEU 9 HG LEU 9 5.240 -2.176 0.913
58 HD11 LEU 9 HD11 LEU 9 6.230 -1.190 2.866
59 HD12 LEU 9 HD12 LEU 9 6.188 -2.743 3.723
60 HD13 LEU 9 HD13 LEU 9 4.675 -1.893 3.369
61 HD21 LEU 9 HD21 LEU 9 7.228 -4.222 1.938
62 HD22 LEU 9 HD22 LEU 9 7.698 -2.598 1.380
63 HD23 LEU 9 HD23 LEU 9 6.938 -3.743 0.249
64 H MET 10 HN MET 10 2.033 -4.213 1.078
65 HA MET 10 HA MET 10 1.074 -6.863 1.776
66 HB2 MET 10 HB2 MET 10 0.289 -4.389 2.394
67 HB3 MET 10 HB1 MET 10 -0.865 -4.697 1.087
68 HG2 MET 10 HG2 MET 10 -1.423 -6.855 2.302
69 HG3 MET 10 HG1 MET 10 -0.507 -6.201 3.674
70 HE1 MET 10 HE1 MET 10 -1.283 -3.009 3.031
71 HE2 MET 10 HE2 MET 10 -2.575 -2.794 4.202
72 HE3 MET 10 HE3 MET 10 -1.096 -3.674 4.647
Start of MODEL 12
1 H1 GLY 1 HT1 GLY 1 -9.552 3.808 4.202
2 H2 GLY 1 HT2 GLY 1 -8.765 3.202 2.823
3 H3 GLY 1 HT3 GLY 1 -9.435 4.764 2.809
4 HA2 GLY 1 HA1 GLY 1 -7.566 5.599 3.470
5 HA3 GLY 1 HA2 GLY 1 -7.723 4.649 4.959
6 H ASN 2 HN ASN 2 -7.315 3.484 1.614
7 HA ASN 2 HA ASN 2 -5.339 1.564 2.338
8 HB2 ASN 2 HB2 ASN 2 -5.924 2.847 -0.349
9 HB3 ASN 2 HB1 ASN 2 -4.910 1.411 -0.103
10 HD21 ASN 2 HD21 ASN 2 -8.065 2.567 -0.686
11 HD22 ASN 2 HD22 ASN 2 -8.933 1.060 -0.371
12 H HIS 3 HN HIS 3 -3.206 1.653 0.767
13 HA HIS 3 HA HIS 3 -1.882 4.284 0.963
14 HB2 HIS 3 HB2 HIS 3 -1.356 2.043 2.852
15 HB3 HIS 3 HB1 HIS 3 0.070 2.885 2.218
16 HD1 HIS 3 HD1 HIS 3 -2.918 3.215 4.465
17 HD2 HIS 3 HD2 HIS 3 0.141 5.651 3.003
18 HE1 HIS 3 HE1 HIS 3 -2.856 5.263 5.965
19 H TRP 4 HN TRP 4 0.600 3.873 0.428
20 HA TRP 4 HA TRP 4 0.535 2.607 -2.217
21 HB2 TRP 4 HB2 TRP 4 2.777 3.495 -2.470
22 HB3 TRP 4 HB1 TRP 4 1.709 4.741 -1.799
23 HD1 TRP 4 HD1 TRP 4 2.115 5.434 0.799
24 HE1 TRP 4 HE1 TRP 4 4.193 5.230 2.344
25 HE3 TRP 4 HE3 TRP 4 4.768 2.039 -1.941
26 HZ2 TRP 4 HZ2 TRP 4 6.605 3.804 2.345
27 HZ3 TRP 4 HZ3 TRP 4 6.961 1.297 -1.106
28 HH2 TRP 4 HH2 TRP 4 7.867 2.173 1.018
29 H ALA 5 HN ALA 5 2.061 1.995 0.941
30 HA ALA 5 HA ALA 5 3.688 -0.191 0.045
31 HB1 ALA 5 HB1 ALA 5 3.503 1.236 2.336
32 HB2 ALA 5 HB2 ALA 5 4.340 -0.323 2.227
33 HB3 ALA 5 HB3 ALA 5 2.675 -0.247 2.855
34 H VAL 6 HN VAL 6 0.315 0.109 0.491
35 HA VAL 6 HA VAL 6 -0.273 -2.606 1.265
36 HB VAL 6 HB VAL 6 -2.092 -0.806 -0.356
37 HG11 VAL 6 HG11 VAL 6 -2.580 -2.986 1.690
38 HG12 VAL 6 HG12 VAL 6 -2.898 -3.074 -0.059
39 HG13 VAL 6 HG13 VAL 6 -3.848 -1.970 0.964
40 HG21 VAL 6 HG21 VAL 6 -2.880 0.147 1.774
41 HG22 VAL 6 HG22 VAL 6 -1.159 0.480 1.483
42 HG23 VAL 6 HG23 VAL 6 -1.631 -0.779 2.646
43 H GLY 7 HN GLY 7 0.570 -1.072 -1.749
44 HA2 GLY 7 HA2 GLY 7 -0.487 -3.307 -3.371
45 HA3 GLY 7 HA1 GLY 7 0.401 -1.883 -3.946
46 H HIS 8 HN HIS 8 2.762 -1.847 -2.841
47 HA HIS 8 HA HIS 8 4.174 -3.968 -4.129
48 HB2 HIS 8 HB2 HIS 8 4.856 -1.727 -2.282
49 HB3 HIS 8 HB1 HIS 8 6.052 -3.026 -2.433
50 HD1 HIS 8 HD1 HIS 8 7.823 -2.158 -3.930
51 HD2 HIS 8 HD2 HIS 8 4.009 -1.074 -5.233
52 HE1 HIS 8 HE1 HIS 8 8.128 -1.044 -6.191
53 H LEU 9 HN LEU 9 4.110 -3.260 -0.608
54 HA LEU 9 HA LEU 9 5.217 -5.696 0.239
55 HB2 LEU 9 HB2 LEU 9 3.018 -4.266 1.741
56 HB3 LEU 9 HB1 LEU 9 4.349 -5.227 2.388
57 HG LEU 9 HG LEU 9 4.544 -2.492 1.115
58 HD11 LEU 9 HD11 LEU 9 3.726 -2.307 3.346
59 HD12 LEU 9 HD12 LEU 9 5.468 -1.944 3.428
60 HD13 LEU 9 HD13 LEU 9 4.866 -3.537 3.932
61 HD21 LEU 9 HD21 LEU 9 6.691 -4.385 2.091
62 HD22 LEU 9 HD22 LEU 9 6.967 -2.652 1.791
63 HD23 LEU 9 HD23 LEU 9 6.500 -3.723 0.452
64 H MET 10 HN MET 10 1.712 -4.926 0.418
65 HA MET 10 HA MET 10 1.188 -7.860 -0.022
66 HB2 MET 10 HB2 MET 10 -0.998 -7.356 1.155
67 HB3 MET 10 HB1 MET 10 0.460 -7.308 2.161
68 HG2 MET 10 HG2 MET 10 0.478 -4.826 1.906
69 HG3 MET 10 HG1 MET 10 -1.065 -4.948 1.041
70 HE1 MET 10 HE1 MET 10 -0.182 -5.654 5.468
71 HE2 MET 10 HE2 MET 10 0.949 -5.621 4.094
72 HE3 MET 10 HE3 MET 10 0.220 -4.108 4.684
Start of MODEL 13
1 H1 GLY 1 HT1 GLY 1 -8.350 3.294 3.319
2 H2 GLY 1 HT2 GLY 1 -7.530 4.782 3.370
3 H3 GLY 1 HT3 GLY 1 -7.839 3.928 4.806
4 HA2 GLY 1 HA1 GLY 1 -5.591 3.640 4.280
5 HA3 GLY 1 HA2 GLY 1 -6.456 2.117 3.997
6 H ASN 2 HN ASN 2 -5.909 1.102 2.207
7 HA ASN 2 HA ASN 2 -5.061 0.727 0.088
8 HB2 ASN 2 HB2 ASN 2 -6.693 3.232 -0.284
9 HB3 ASN 2 HB1 ASN 2 -5.798 2.542 -1.651
10 HD21 ASN 2 HD21 ASN 2 -8.067 2.415 -2.522
11 HD22 ASN 2 HD22 ASN 2 -8.975 0.948 -2.145
12 H HIS 3 HN HIS 3 -3.326 2.031 1.973
13 HA HIS 3 HA HIS 3 -1.928 4.245 0.876
14 HB2 HIS 3 HB2 HIS 3 -1.329 2.089 2.841
15 HB3 HIS 3 HB1 HIS 3 0.067 2.964 2.189
16 HD1 HIS 3 HD1 HIS 3 -2.826 3.182 4.520
17 HD2 HIS 3 HD2 HIS 3 0.191 5.652 3.036
18 HE1 HIS 3 HE1 HIS 3 -2.886 5.301 5.917
19 H TRP 4 HN TRP 4 0.581 3.904 0.375
20 HA TRP 4 HA TRP 4 0.593 2.599 -2.239
21 HB2 TRP 4 HB2 TRP 4 2.841 3.484 -2.443
22 HB3 TRP 4 HB1 TRP 4 1.758 4.733 -1.801
23 HD1 TRP 4 HD1 TRP 4 2.111 5.440 0.800
24 HE1 TRP 4 HE1 TRP 4 4.151 5.238 2.393
25 HE3 TRP 4 HE3 TRP 4 4.813 2.023 -1.861
26 HZ2 TRP 4 HZ2 TRP 4 6.557 3.800 2.458
27 HZ3 TRP 4 HZ3 TRP 4 6.982 1.275 -0.972
28 HH2 TRP 4 HH2 TRP 4 7.843 2.157 1.169
29 H ALA 5 HN ALA 5 2.042 1.999 0.956
30 HA ALA 5 HA ALA 5 3.682 -0.199 0.102
31 HB1 ALA 5 HB1 ALA 5 3.496 1.248 2.369
32 HB2 ALA 5 HB2 ALA 5 4.293 -0.334 2.300
33 HB3 ALA 5 HB3 ALA 5 2.621 -0.204 2.897
34 H VAL 6 HN VAL 6 0.302 0.121 0.524
35 HA VAL 6 HA VAL 6 -0.297 -2.575 1.303
36 HB VAL 6 HB VAL 6 -2.107 -0.785 -0.327
37 HG11 VAL 6 HG11 VAL 6 -2.599 -2.973 1.711
38 HG12 VAL 6 HG12 VAL 6 -2.930 -3.043 -0.037
39 HG13 VAL 6 HG13 VAL 6 -3.867 -1.946 1.005
40 HG21 VAL 6 HG21 VAL 6 -2.892 0.179 1.795
41 HG22 VAL 6 HG22 VAL 6 -1.166 0.492 1.519
42 HG23 VAL 6 HG23 VAL 6 -1.658 -0.761 2.676
43 H GLY 7 HN GLY 7 0.573 -1.066 -1.713
44 HA2 GLY 7 HA2 GLY 7 -0.493 -3.296 -3.338
45 HA3 GLY 7 HA1 GLY 7 0.395 -1.872 -3.912
46 H HIS 8 HN HIS 8 2.761 -1.811 -2.931
47 HA HIS 8 HA HIS 8 4.171 -3.929 -4.181
48 HB2 HIS 8 HB2 HIS 8 4.834 -1.685 -2.348
49 HB3 HIS 8 HB1 HIS 8 6.025 -2.996 -2.415
50 HD1 HIS 8 HD1 HIS 8 7.855 -2.276 -3.908
51 HD2 HIS 8 HD2 HIS 8 4.090 -1.394 -5.484
52 HE1 HIS 8 HE1 HIS 8 8.258 -1.197 -6.171
53 H LEU 9 HN LEU 9 4.092 -3.276 -0.651
54 HA LEU 9 HA LEU 9 5.201 -5.722 0.163
55 HB2 LEU 9 HB2 LEU 9 2.990 -4.319 1.673
56 HB3 LEU 9 HB1 LEU 9 4.316 -5.292 2.314
57 HG LEU 9 HG LEU 9 4.531 -2.540 1.080
58 HD11 LEU 9 HD11 LEU 9 5.417 -2.023 3.417
59 HD12 LEU 9 HD12 LEU 9 4.797 -3.617 3.892
60 HD13 LEU 9 HD13 LEU 9 3.676 -2.371 3.297
61 HD21 LEU 9 HD21 LEU 9 6.940 -2.717 1.801
62 HD22 LEU 9 HD22 LEU 9 6.494 -3.764 0.438
63 HD23 LEU 9 HD23 LEU 9 6.653 -4.452 2.073
64 H MET 10 HN MET 10 1.698 -4.923 0.056
65 HA MET 10 HA MET 10 1.183 -7.859 -0.389
66 HB2 MET 10 HB2 MET 10 -0.802 -7.699 0.958
67 HB3 MET 10 HB1 MET 10 0.577 -7.120 1.909
68 HG2 MET 10 HG2 MET 10 -0.134 -4.788 1.116
69 HG3 MET 10 HG1 MET 10 -1.680 -5.534 0.677
70 HE1 MET 10 HE1 MET 10 0.079 -4.685 4.823
71 HE2 MET 10 HE2 MET 10 0.964 -4.860 3.289
72 HE3 MET 10 HE3 MET 10 -0.112 -3.464 3.543
Start of MODEL 14
1 H1 GLY 1 HT1 GLY 1 -7.851 1.180 3.743
2 H2 GLY 1 HT2 GLY 1 -8.239 2.810 3.460
3 H3 GLY 1 HT3 GLY 1 -8.165 2.214 5.049
4 HA2 GLY 1 HA1 GLY 1 -6.242 3.582 4.143
5 HA3 GLY 1 HA2 GLY 1 -5.923 2.120 5.094
6 H ASN 2 HN ASN 2 -6.715 2.929 1.680
7 HA ASN 2 HA ASN 2 -4.980 0.749 0.743
8 HB2 ASN 2 HB2 ASN 2 -7.173 1.526 -0.325
9 HB3 ASN 2 HB1 ASN 2 -6.254 2.913 -0.945
10 HD21 ASN 2 HD21 ASN 2 -3.766 1.150 -1.119
11 HD22 ASN 2 HD22 ASN 2 -4.024 0.215 -2.592
12 H HIS 3 HN HIS 3 -3.179 1.922 2.064
13 HA HIS 3 HA HIS 3 -1.978 4.273 0.929
14 HB2 HIS 3 HB2 HIS 3 -0.485 2.117 2.458
15 HB3 HIS 3 HB1 HIS 3 -0.135 3.835 2.337
16 HD1 HIS 3 HD1 HIS 3 -2.340 1.369 4.121
17 HD2 HIS 3 HD2 HIS 3 -1.830 5.508 3.890
18 HE1 HIS 3 HE1 HIS 3 -3.532 2.352 6.133
19 H TRP 4 HN TRP 4 0.610 3.862 0.436
20 HA TRP 4 HA TRP 4 0.524 2.617 -2.223
21 HB2 TRP 4 HB2 TRP 4 2.764 3.506 -2.485
22 HB3 TRP 4 HB1 TRP 4 1.700 4.748 -1.802
23 HD1 TRP 4 HD1 TRP 4 2.123 5.430 0.798
24 HE1 TRP 4 HE1 TRP 4 4.212 5.218 2.328
25 HE3 TRP 4 HE3 TRP 4 4.759 2.051 -1.979
26 HZ2 TRP 4 HZ2 TRP 4 6.625 3.791 2.305
27 HZ3 TRP 4 HZ3 TRP 4 6.957 1.303 -1.162
28 HH2 TRP 4 HH2 TRP 4 7.878 2.168 0.962
29 H ALA 5 HN ALA 5 2.064 1.993 0.925
30 HA ALA 5 HA ALA 5 3.687 -0.188 0.017
31 HB1 ALA 5 HB1 ALA 5 3.566 1.224 2.297
32 HB2 ALA 5 HB2 ALA 5 4.319 -0.379 2.211
33 HB3 ALA 5 HB3 ALA 5 2.659 -0.208 2.830
34 H VAL 6 HN VAL 6 0.317 0.110 0.471
35 HA VAL 6 HA VAL 6 -0.265 -2.578 1.243
36 HB VAL 6 HB VAL 6 -2.094 -0.807 -0.378
37 HG11 VAL 6 HG11 VAL 6 -3.860 -1.983 0.856
38 HG12 VAL 6 HG12 VAL 6 -2.623 -2.934 1.714
39 HG13 VAL 6 HG13 VAL 6 -2.833 -3.125 -0.044
40 HG21 VAL 6 HG21 VAL 6 -1.429 0.613 1.348
41 HG22 VAL 6 HG22 VAL 6 -1.333 -0.683 2.547
42 HG23 VAL 6 HG23 VAL 6 -2.916 -0.100 1.971
43 H GLY 7 HN GLY 7 0.562 -1.063 -1.777
44 HA2 GLY 7 HA2 GLY 7 -0.491 -3.295 -3.400
45 HA3 GLY 7 HA1 GLY 7 0.391 -1.868 -3.975
46 H HIS 8 HN HIS 8 2.741 -1.874 -2.712
47 HA HIS 8 HA HIS 8 4.162 -3.984 -4.061
48 HB2 HIS 8 HB2 HIS 8 4.865 -1.760 -2.187
49 HB3 HIS 8 HB1 HIS 8 6.064 -3.040 -2.441
50 HD1 HIS 8 HD1 HIS 8 7.763 -1.944 -3.901
51 HD2 HIS 8 HD2 HIS 8 3.859 -1.150 -5.153
52 HE1 HIS 8 HE1 HIS 8 7.955 -0.779 -6.148
53 H LEU 9 HN LEU 9 3.957 -3.252 -0.548
54 HA LEU 9 HA LEU 9 5.043 -5.798 0.221
55 HB2 LEU 9 HB2 LEU 9 3.217 -4.140 1.958
56 HB3 LEU 9 HB1 LEU 9 4.577 -5.167 2.433
57 HG LEU 9 HG LEU 9 4.699 -2.473 1.067
58 HD11 LEU 9 HD11 LEU 9 5.899 -1.827 3.147
59 HD12 LEU 9 HD12 LEU 9 5.583 -3.453 3.795
60 HD13 LEU 9 HD13 LEU 9 4.226 -2.353 3.458
61 HD21 LEU 9 HD21 LEU 9 7.195 -2.751 1.374
62 HD22 LEU 9 HD22 LEU 9 6.475 -3.800 0.130
63 HD23 LEU 9 HD23 LEU 9 6.882 -4.466 1.729
64 H MET 10 HN MET 10 1.711 -4.566 0.783
65 HA MET 10 HA MET 10 0.739 -7.336 1.016
66 HB2 MET 10 HB2 MET 10 -0.375 -4.609 1.432
67 HB3 MET 10 HB1 MET 10 -1.528 -5.898 1.121
68 HG2 MET 10 HG2 MET 10 -1.404 -5.865 3.436
69 HG3 MET 10 HG1 MET 10 -0.236 -7.132 3.030
70 HE1 MET 10 HE1 MET 10 1.757 -7.247 4.553
71 HE2 MET 10 HE2 MET 10 2.366 -6.758 2.953
72 HE3 MET 10 HE3 MET 10 3.007 -5.986 4.423
Start of MODEL 15
1 H1 GLY 1 HT1 GLY 1 -6.917 6.126 -0.445
2 H2 GLY 1 HT2 GLY 1 -8.616 6.099 -0.412
3 H3 GLY 1 HT3 GLY 1 -7.790 6.102 -1.898
4 HA2 GLY 1 HA1 GLY 1 -8.673 3.946 -0.461
5 HA3 GLY 1 HA2 GLY 1 -7.679 3.951 -1.930
6 H ASN 2 HN ASN 2 -6.917 1.906 -0.882
7 HA ASN 2 HA ASN 2 -5.456 1.811 1.512
8 HB2 ASN 2 HB2 ASN 2 -4.178 -0.042 0.367
9 HB3 ASN 2 HB1 ASN 2 -5.928 -0.226 0.367
10 HD21 ASN 2 HD21 ASN 2 -3.026 0.428 -1.544
11 HD22 ASN 2 HD22 ASN 2 -3.797 0.230 -3.121
12 H HIS 3 HN HIS 3 -3.260 1.957 2.052
13 HA HIS 3 HA HIS 3 -1.909 4.220 0.964
14 HB2 HIS 3 HB2 HIS 3 -1.236 2.030 2.880
15 HB3 HIS 3 HB1 HIS 3 0.118 2.952 2.209
16 HD1 HIS 3 HD1 HIS 3 0.789 4.622 3.898
17 HD2 HIS 3 HD2 HIS 3 -3.359 4.335 3.523
18 HE1 HIS 3 HE1 HIS 3 -0.194 6.304 5.525
19 H TRP 4 HN TRP 4 0.580 3.905 0.386
20 HA TRP 4 HA TRP 4 0.533 2.622 -2.238
21 HB2 TRP 4 HB2 TRP 4 2.770 3.522 -2.492
22 HB3 TRP 4 HB1 TRP 4 1.701 4.759 -1.805
23 HD1 TRP 4 HD1 TRP 4 2.117 5.434 0.795
24 HE1 TRP 4 HE1 TRP 4 4.199 5.222 2.332
25 HE3 TRP 4 HE3 TRP 4 4.767 2.065 -1.980
26 HZ2 TRP 4 HZ2 TRP 4 6.614 3.799 2.315
27 HZ3 TRP 4 HZ3 TRP 4 6.964 1.321 -1.158
28 HH2 TRP 4 HH2 TRP 4 7.875 2.182 0.970
29 H ALA 5 HN ALA 5 2.063 1.994 0.913
30 HA ALA 5 HA ALA 5 3.695 -0.182 -0.002
31 HB1 ALA 5 HB1 ALA 5 3.505 1.236 2.294
32 HB2 ALA 5 HB2 ALA 5 4.365 -0.300 2.175
33 HB3 ALA 5 HB3 ALA 5 2.703 -0.258 2.810
34 H VAL 6 HN VAL 6 0.322 0.110 0.475
35 HA VAL 6 HA VAL 6 -0.242 -2.584 1.233
36 HB VAL 6 HB VAL 6 -2.090 -0.801 -0.354
37 HG11 VAL 6 HG11 VAL 6 -2.443 -3.139 1.515
38 HG12 VAL 6 HG12 VAL 6 -3.051 -2.935 -0.135
39 HG13 VAL 6 HG13 VAL 6 -3.777 -2.028 1.201
40 HG21 VAL 6 HG21 VAL 6 -1.409 0.596 1.362
41 HG22 VAL 6 HG22 VAL 6 -1.277 -0.698 2.546
42 HG23 VAL 6 HG23 VAL 6 -2.869 -0.105 2.054
43 H GLY 7 HN GLY 7 0.557 -1.048 -1.780
44 HA2 GLY 7 HA2 GLY 7 -0.507 -3.275 -3.407
45 HA3 GLY 7 HA1 GLY 7 0.357 -1.837 -3.982
46 H HIS 8 HN HIS 8 2.702 -1.892 -2.583
47 HA HIS 8 HA HIS 8 4.125 -3.980 -4.015
48 HB2 HIS 8 HB2 HIS 8 4.848 -1.743 -2.155
49 HB3 HIS 8 HB1 HIS 8 6.048 -3.017 -2.445
50 HD1 HIS 8 HD1 HIS 8 7.705 -1.920 -3.947
51 HD2 HIS 8 HD2 HIS 8 3.770 -1.118 -5.089
52 HE1 HIS 8 HE1 HIS 8 7.835 -0.742 -6.192
53 H LEU 9 HN LEU 9 4.069 -3.205 -0.508
54 HA LEU 9 HA LEU 9 5.223 -5.604 0.381
55 HB2 LEU 9 HB2 LEU 9 3.006 -4.173 1.856
56 HB3 LEU 9 HB1 LEU 9 4.338 -5.117 2.526
57 HG LEU 9 HG LEU 9 4.532 -2.407 1.201
58 HD11 LEU 9 HD11 LEU 9 4.855 -3.387 4.037
59 HD12 LEU 9 HD12 LEU 9 3.681 -2.207 3.432
60 HD13 LEU 9 HD13 LEU 9 5.409 -1.789 3.505
61 HD21 LEU 9 HD21 LEU 9 6.946 -2.549 1.925
62 HD22 LEU 9 HD22 LEU 9 6.500 -3.625 0.583
63 HD23 LEU 9 HD23 LEU 9 6.667 -4.279 2.230
64 H MET 10 HN MET 10 1.709 -4.901 0.610
65 HA MET 10 HA MET 10 1.231 -7.857 0.317
66 HB2 MET 10 HB2 MET 10 -0.922 -7.429 1.398
67 HB3 MET 10 HB1 MET 10 0.430 -6.900 2.417
68 HG2 MET 10 HG2 MET 10 0.043 -4.607 1.504
69 HG3 MET 10 HG1 MET 10 -1.474 -5.184 0.794
70 HE1 MET 10 HE1 MET 10 -0.121 -3.187 3.525
71 HE2 MET 10 HE2 MET 10 -0.658 -3.887 5.071
72 HE3 MET 10 HE3 MET 10 0.601 -4.703 4.115
Start of MODEL 16
1 H1 GLY 1 HT1 GLY 1 -7.903 5.821 2.871
2 H2 GLY 1 HT2 GLY 1 -6.319 5.318 2.516
3 H3 GLY 1 HT3 GLY 1 -7.011 4.962 4.028
4 HA2 GLY 1 HA1 GLY 1 -8.369 3.362 3.221
5 HA3 GLY 1 HA2 GLY 1 -8.288 4.027 1.579
6 H ASN 2 HN ASN 2 -6.782 3.306 0.167
7 HA ASN 2 HA ASN 2 -5.072 1.057 1.152
8 HB2 ASN 2 HB2 ASN 2 -5.839 1.897 -1.658
9 HB3 ASN 2 HB1 ASN 2 -4.858 0.482 -1.230
10 HD21 ASN 2 HD21 ASN 2 -7.394 0.540 -2.702
11 HD22 ASN 2 HD22 ASN 2 -8.533 -0.408 -1.740
12 H HIS 3 HN HIS 3 -3.267 1.973 2.003
13 HA HIS 3 HA HIS 3 -1.916 4.241 0.907
14 HB2 HIS 3 HB2 HIS 3 -1.251 2.071 2.851
15 HB3 HIS 3 HB1 HIS 3 0.101 3.007 2.192
16 HD1 HIS 3 HD1 HIS 3 0.272 5.486 2.911
17 HD2 HIS 3 HD2 HIS 3 -2.830 3.337 4.696
18 HE1 HIS 3 HE1 HIS 3 -0.634 6.951 4.775
19 H TRP 4 HN TRP 4 0.585 3.906 0.371
20 HA TRP 4 HA TRP 4 0.565 2.601 -2.242
21 HB2 TRP 4 HB2 TRP 4 2.803 3.494 -2.483
22 HB3 TRP 4 HB1 TRP 4 1.735 4.738 -1.810
23 HD1 TRP 4 HD1 TRP 4 2.137 5.419 0.794
24 HE1 TRP 4 HE1 TRP 4 4.211 5.204 2.343
25 HE3 TRP 4 HE3 TRP 4 4.789 2.035 -1.957
26 HZ2 TRP 4 HZ2 TRP 4 6.620 3.772 2.343
27 HZ3 TRP 4 HZ3 TRP 4 6.979 1.281 -1.121
28 HH2 TRP 4 HH2 TRP 4 7.882 2.144 1.009
29 H ALA 5 HN ALA 5 2.046 1.996 0.936
30 HA ALA 5 HA ALA 5 3.682 -0.196 0.060
31 HB1 ALA 5 HB1 ALA 5 3.416 1.245 2.366
32 HB2 ALA 5 HB2 ALA 5 4.355 -0.248 2.226
33 HB3 ALA 5 HB3 ALA 5 2.691 -0.298 2.860
34 H VAL 6 HN VAL 6 0.307 0.115 0.495
35 HA VAL 6 HA VAL 6 -0.285 -2.603 1.267
36 HB VAL 6 HB VAL 6 -2.103 -0.799 -0.348
37 HG11 VAL 6 HG11 VAL 6 -2.848 -3.116 -0.009
38 HG12 VAL 6 HG12 VAL 6 -3.871 -1.969 0.888
39 HG13 VAL 6 HG13 VAL 6 -2.638 -2.923 1.747
40 HG21 VAL 6 HG21 VAL 6 -1.184 0.500 1.474
41 HG22 VAL 6 HG22 VAL 6 -1.605 -0.765 2.649
42 HG23 VAL 6 HG23 VAL 6 -2.892 0.136 1.802
43 H GLY 7 HN GLY 7 0.557 -1.061 -1.746
44 HA2 GLY 7 HA2 GLY 7 -0.499 -3.297 -3.369
45 HA3 GLY 7 HA1 GLY 7 0.374 -1.866 -3.946
46 H HIS 8 HN HIS 8 2.734 -1.833 -2.784
47 HA HIS 8 HA HIS 8 4.164 -3.932 -4.109
48 HB2 HIS 8 HB2 HIS 8 4.886 -1.776 -2.142
49 HB3 HIS 8 HB1 HIS 8 6.082 -3.021 -2.548
50 HD1 HIS 8 HD1 HIS 8 7.678 -1.567 -3.870
51 HD2 HIS 8 HD2 HIS 8 3.774 -1.558 -5.354
52 HE1 HIS 8 HE1 HIS 8 7.751 -0.305 -6.070
53 H LEU 9 HN LEU 9 3.848 -3.266 -0.591
54 HA LEU 9 HA LEU 9 5.007 -5.778 0.181
55 HB2 LEU 9 HB2 LEU 9 3.038 -4.225 1.863
56 HB3 LEU 9 HB1 LEU 9 4.406 -5.216 2.383
57 HG LEU 9 HG LEU 9 4.564 -2.517 1.022
58 HD11 LEU 9 HD11 LEU 9 3.856 -2.256 3.301
59 HD12 LEU 9 HD12 LEU 9 5.598 -1.879 3.246
60 HD13 LEU 9 HD13 LEU 9 5.044 -3.453 3.852
61 HD21 LEU 9 HD21 LEU 9 6.440 -3.886 0.328
62 HD22 LEU 9 HD22 LEU 9 6.727 -4.387 2.012
63 HD23 LEU 9 HD23 LEU 9 6.998 -2.696 1.525
64 H MET 10 HN MET 10 1.605 -4.712 0.637
65 HA MET 10 HA MET 10 0.780 -7.569 0.612
66 HB2 MET 10 HB2 MET 10 -0.417 -4.974 1.496
67 HB3 MET 10 HB1 MET 10 -1.531 -6.275 1.037
68 HG2 MET 10 HG2 MET 10 -1.313 -6.701 3.280
69 HG3 MET 10 HG1 MET 10 0.029 -7.687 2.688
70 HE1 MET 10 HE1 MET 10 -0.164 -3.905 5.065
71 HE2 MET 10 HE2 MET 10 0.310 -3.405 3.426
72 HE3 MET 10 HE3 MET 10 -1.177 -4.351 3.672
Start of MODEL 17
1 H1 GLY 1 HT1 GLY 1 -8.715 0.347 4.183
2 H2 GLY 1 HT2 GLY 1 -8.870 1.232 5.625
3 H3 GLY 1 HT3 GLY 1 -8.425 -0.407 5.672
4 HA2 GLY 1 HA1 GLY 1 -6.825 1.875 5.433
5 HA3 GLY 1 HA2 GLY 1 -6.353 0.185 5.684
6 H ASN 2 HN ASN 2 -5.792 2.734 3.775
7 HA ASN 2 HA ASN 2 -4.994 0.978 1.506
8 HB2 ASN 2 HB2 ASN 2 -7.067 1.715 0.653
9 HB3 ASN 2 HB1 ASN 2 -6.858 3.350 1.310
10 HD21 ASN 2 HD21 ASN 2 -5.614 4.880 0.191
11 HD22 ASN 2 HD22 ASN 2 -5.024 4.580 -1.448
12 H HIS 3 HN HIS 3 -3.120 1.541 0.572
13 HA HIS 3 HA HIS 3 -2.053 4.224 0.710
14 HB2 HIS 3 HB2 HIS 3 -1.698 2.855 3.050
15 HB3 HIS 3 HB1 HIS 3 -0.214 2.406 2.195
16 HD1 HIS 3 HD1 HIS 3 1.413 3.786 3.542
17 HD2 HIS 3 HD2 HIS 3 -1.866 6.003 2.240
18 HE1 HIS 3 HE1 HIS 3 1.985 6.224 3.951
19 H TRP 4 HN TRP 4 0.605 3.837 0.398
20 HA TRP 4 HA TRP 4 0.670 2.567 -2.251
21 HB2 TRP 4 HB2 TRP 4 2.902 3.477 -2.413
22 HB3 TRP 4 HB1 TRP 4 1.808 4.713 -1.771
23 HD1 TRP 4 HD1 TRP 4 2.133 5.404 0.837
24 HE1 TRP 4 HE1 TRP 4 4.154 5.189 2.451
25 HE3 TRP 4 HE3 TRP 4 4.865 2.001 -1.814
26 HZ2 TRP 4 HZ2 TRP 4 6.557 3.751 2.539
27 HZ3 TRP 4 HZ3 TRP 4 7.023 1.247 -0.901
28 HH2 TRP 4 HH2 TRP 4 7.858 2.115 1.254
29 H ALA 5 HN ALA 5 2.025 1.977 0.986
30 HA ALA 5 HA ALA 5 3.690 -0.221 0.164
31 HB1 ALA 5 HB1 ALA 5 4.354 -0.180 2.329
32 HB2 ALA 5 HB2 ALA 5 2.692 -0.347 2.944
33 HB3 ALA 5 HB3 ALA 5 3.317 1.247 2.475
34 H VAL 6 HN VAL 6 0.305 0.104 0.577
35 HA VAL 6 HA VAL 6 -0.280 -2.596 1.351
36 HB VAL 6 HB VAL 6 -2.115 -0.805 -0.248
37 HG11 VAL 6 HG11 VAL 6 -2.867 -3.113 0.082
38 HG12 VAL 6 HG12 VAL 6 -3.871 -1.980 1.019
39 HG13 VAL 6 HG13 VAL 6 -2.618 -2.947 1.836
40 HG21 VAL 6 HG21 VAL 6 -1.351 -0.697 2.676
41 HG22 VAL 6 HG22 VAL 6 -2.917 -0.083 2.092
42 HG23 VAL 6 HG23 VAL 6 -1.407 0.620 1.486
43 H GLY 7 HN GLY 7 0.551 -1.059 -1.660
44 HA2 GLY 7 HA2 GLY 7 -0.520 -3.281 -3.293
45 HA3 GLY 7 HA1 GLY 7 0.346 -1.843 -3.865
46 H HIS 8 HN HIS 8 2.724 -1.761 -2.960
47 HA HIS 8 HA HIS 8 4.143 -3.838 -4.243
48 HB2 HIS 8 HB2 HIS 8 4.823 -1.675 -2.299
49 HB3 HIS 8 HB1 HIS 8 6.032 -2.950 -2.538
50 HD1 HIS 8 HD1 HIS 8 7.606 -2.602 -4.414
51 HD2 HIS 8 HD2 HIS 8 4.145 -0.301 -4.793
52 HE1 HIS 8 HE1 HIS 8 7.905 -1.202 -6.511
53 H LEU 9 HN LEU 9 3.727 -3.319 -0.713
54 HA LEU 9 HA LEU 9 4.907 -5.891 -0.070
55 HB2 LEU 9 HB2 LEU 9 3.092 -4.318 1.756
56 HB3 LEU 9 HB1 LEU 9 4.444 -5.377 2.171
57 HG LEU 9 HG LEU 9 4.704 -2.692 0.807
58 HD11 LEU 9 HD11 LEU 9 3.899 -2.354 3.059
59 HD12 LEU 9 HD12 LEU 9 5.642 -1.982 3.031
60 HD13 LEU 9 HD13 LEU 9 5.070 -3.529 3.692
61 HD21 LEU 9 HD21 LEU 9 6.551 -4.184 0.258
62 HD22 LEU 9 HD22 LEU 9 6.742 -4.612 1.975
63 HD23 LEU 9 HD23 LEU 9 7.109 -2.960 1.423
64 H MET 10 HN MET 10 1.574 -4.667 0.510
65 HA MET 10 HA MET 10 0.595 -7.450 0.604
66 HB2 MET 10 HB2 MET 10 -0.495 -4.753 1.215
67 HB3 MET 10 HB1 MET 10 -1.663 -6.006 0.815
68 HG2 MET 10 HG2 MET 10 -1.497 -6.064 3.147
69 HG3 MET 10 HG1 MET 10 -0.461 -7.400 2.621
70 HE1 MET 10 HE1 MET 10 -0.686 -4.782 5.225
71 HE2 MET 10 HE2 MET 10 0.670 -3.661 4.959
72 HE3 MET 10 HE3 MET 10 -0.674 -3.723 3.794
Start of MODEL 18
1 H1 GLY 1 HT1 GLY 1 -8.101 5.747 1.335
2 H2 GLY 1 HT2 GLY 1 -9.139 4.638 2.098
3 H3 GLY 1 HT3 GLY 1 -9.674 5.521 0.748
4 HA2 GLY 1 HA1 GLY 1 -9.200 3.315 0.095
5 HA3 GLY 1 HA2 GLY 1 -8.035 4.443 -0.625
6 H ASN 2 HN ASN 2 -6.524 2.769 -0.932
7 HA ASN 2 HA ASN 2 -5.335 1.681 1.608
8 HB2 ASN 2 HB2 ASN 2 -4.952 0.670 -1.216
9 HB3 ASN 2 HB1 ASN 2 -4.454 -0.106 0.282
10 HD21 ASN 2 HD21 ASN 2 -7.202 0.762 -1.771
11 HD22 ASN 2 HD22 ASN 2 -8.338 -0.370 -1.031
12 H HIS 3 HN HIS 3 -3.225 1.965 2.085
13 HA HIS 3 HA HIS 3 -1.894 4.239 0.973
14 HB2 HIS 3 HB2 HIS 3 -1.213 2.066 2.901
15 HB3 HIS 3 HB1 HIS 3 0.146 2.965 2.208
16 HD1 HIS 3 HD1 HIS 3 -0.918 2.966 5.251
17 HD2 HIS 3 HD2 HIS 3 -1.263 5.961 2.384
18 HE1 HIS 3 HE1 HIS 3 -1.392 5.119 6.510
19 H TRP 4 HN TRP 4 0.595 3.904 0.385
20 HA TRP 4 HA TRP 4 0.508 2.616 -2.236
21 HB2 TRP 4 HB2 TRP 4 2.746 3.502 -2.519
22 HB3 TRP 4 HB1 TRP 4 1.692 4.745 -1.825
23 HD1 TRP 4 HD1 TRP 4 2.139 5.420 0.773
24 HE1 TRP 4 HE1 TRP 4 4.242 5.206 2.281
25 HE3 TRP 4 HE3 TRP 4 4.746 2.045 -2.035
26 HZ2 TRP 4 HZ2 TRP 4 6.653 3.780 2.234
27 HZ3 TRP 4 HZ3 TRP 4 6.954 1.296 -1.239
28 HH2 TRP 4 HH2 TRP 4 7.893 2.158 0.875
29 H ALA 5 HN ALA 5 2.070 1.991 0.899
30 HA ALA 5 HA ALA 5 3.687 -0.194 -0.018
31 HB1 ALA 5 HB1 ALA 5 2.729 -0.310 2.793
32 HB2 ALA 5 HB2 ALA 5 3.450 1.227 2.297
33 HB3 ALA 5 HB3 ALA 5 4.384 -0.259 2.146
34 H VAL 6 HN VAL 6 0.315 0.107 0.451
35 HA VAL 6 HA VAL 6 -0.269 -2.611 1.217
36 HB VAL 6 HB VAL 6 -2.084 -0.794 -0.388
37 HG11 VAL 6 HG11 VAL 6 -3.147 -2.449 1.830
38 HG12 VAL 6 HG12 VAL 6 -2.452 -3.381 0.487
39 HG13 VAL 6 HG13 VAL 6 -3.754 -2.238 0.178
40 HG21 VAL 6 HG21 VAL 6 -2.873 0.102 1.819
41 HG22 VAL 6 HG22 VAL 6 -1.195 0.503 1.422
42 HG23 VAL 6 HG23 VAL 6 -1.542 -0.779 2.593
43 H GLY 7 HN GLY 7 0.556 -1.063 -1.799
44 HA2 GLY 7 HA2 GLY 7 -0.496 -3.308 -3.412
45 HA3 GLY 7 HA1 GLY 7 0.352 -1.864 -3.998
46 H HIS 8 HN HIS 8 2.690 -1.900 -2.562
47 HA HIS 8 HA HIS 8 4.147 -3.971 -3.997
48 HB2 HIS 8 HB2 HIS 8 4.955 -1.874 -1.975
49 HB3 HIS 8 HB1 HIS 8 6.109 -3.022 -2.680
50 HD1 HIS 8 HD1 HIS 8 7.474 -1.465 -4.114
51 HD2 HIS 8 HD2 HIS 8 3.367 -0.928 -4.633
52 HE1 HIS 8 HE1 HIS 8 7.201 0.057 -6.127
53 H LEU 9 HN LEU 9 4.080 -3.177 -0.491
54 HA LEU 9 HA LEU 9 5.257 -5.557 0.412
55 HB2 LEU 9 HB2 LEU 9 3.030 -4.141 1.886
56 HB3 LEU 9 HB1 LEU 9 4.383 -5.057 2.554
57 HG LEU 9 HG LEU 9 4.517 -2.356 1.208
58 HD11 LEU 9 HD11 LEU 9 3.687 -2.193 3.467
59 HD12 LEU 9 HD12 LEU 9 5.395 -1.693 3.494
60 HD13 LEU 9 HD13 LEU 9 4.930 -3.310 4.042
61 HD21 LEU 9 HD21 LEU 9 6.700 -4.186 2.217
62 HD22 LEU 9 HD22 LEU 9 6.944 -2.451 1.901
63 HD23 LEU 9 HD23 LEU 9 6.499 -3.544 0.572
64 H MET 10 HN MET 10 1.737 -4.882 0.640
65 HA MET 10 HA MET 10 1.117 -7.679 0.996
66 HB2 MET 10 HB2 MET 10 -0.190 -5.358 1.471
67 HB3 MET 10 HB1 MET 10 -1.021 -5.857 -0.007
68 HG2 MET 10 HG2 MET 10 -1.456 -8.072 1.062
69 HG3 MET 10 HG1 MET 10 -0.785 -7.417 2.569
70 HE1 MET 10 HE1 MET 10 -1.932 -4.319 2.500
71 HE2 MET 10 HE2 MET 10 -3.297 -4.652 3.576
72 HE3 MET 10 HE3 MET 10 -1.726 -5.437 3.856
Start of MODEL 19
1 H1 GLY 1 HT1 GLY 1 -6.314 3.232 5.305
2 H2 GLY 1 HT2 GLY 1 -6.454 4.074 3.836
3 H3 GLY 1 HT3 GLY 1 -5.122 3.057 4.116
4 HA2 GLY 1 HA1 GLY 1 -6.991 1.304 4.472
5 HA3 GLY 1 HA2 GLY 1 -7.850 2.421 3.395
6 H ASN 2 HN ASN 2 -6.198 3.265 1.567
7 HA ASN 2 HA ASN 2 -5.004 0.763 0.381
8 HB2 ASN 2 HB2 ASN 2 -5.575 1.761 -1.824
9 HB3 ASN 2 HB1 ASN 2 -6.991 1.353 -0.838
10 HD21 ASN 2 HD21 ASN 2 -8.044 2.874 -2.418
11 HD22 ASN 2 HD22 ASN 2 -8.007 4.594 -2.021
12 H HIS 3 HN HIS 3 -3.295 1.993 1.936
13 HA HIS 3 HA HIS 3 -1.919 4.243 0.834
14 HB2 HIS 3 HB2 HIS 3 -1.317 2.114 2.835
15 HB3 HIS 3 HB1 HIS 3 0.070 2.999 2.178
16 HD1 HIS 3 HD1 HIS 3 0.517 5.259 3.168
17 HD2 HIS 3 HD2 HIS 3 -3.342 3.899 3.991
18 HE1 HIS 3 HE1 HIS 3 -0.452 6.856 4.889
19 H TRP 4 HN TRP 4 0.580 3.921 0.333
20 HA TRP 4 HA TRP 4 0.614 2.575 -2.252
21 HB2 TRP 4 HB2 TRP 4 2.865 3.452 -2.454
22 HB3 TRP 4 HB1 TRP 4 1.785 4.709 -1.825
23 HD1 TRP 4 HD1 TRP 4 2.130 5.435 0.772
24 HE1 TRP 4 HE1 TRP 4 4.163 5.234 2.375
25 HE3 TRP 4 HE3 TRP 4 4.828 1.985 -1.852
26 HZ2 TRP 4 HZ2 TRP 4 6.561 3.789 2.461
27 HZ3 TRP 4 HZ3 TRP 4 6.991 1.237 -0.948
28 HH2 TRP 4 HH2 TRP 4 7.846 2.133 1.188
29 H ALA 5 HN ALA 5 2.032 2.000 0.958
30 HA ALA 5 HA ALA 5 3.673 -0.215 0.140
31 HB1 ALA 5 HB1 ALA 5 4.365 0.511 2.200
32 HB2 ALA 5 HB2 ALA 5 3.228 -0.731 2.775
33 HB3 ALA 5 HB3 ALA 5 2.722 0.968 2.692
34 H VAL 6 HN VAL 6 0.291 0.124 0.521
35 HA VAL 6 HA VAL 6 -0.322 -2.584 1.316
36 HB VAL 6 HB VAL 6 -2.113 -0.780 -0.329
37 HG11 VAL 6 HG11 VAL 6 -2.991 -2.566 1.922
38 HG12 VAL 6 HG12 VAL 6 -2.627 -3.295 0.346
39 HG13 VAL 6 HG13 VAL 6 -3.878 -2.048 0.476
40 HG21 VAL 6 HG21 VAL 6 -1.202 0.526 1.485
41 HG22 VAL 6 HG22 VAL 6 -1.644 -0.720 2.672
42 HG23 VAL 6 HG23 VAL 6 -2.916 0.180 1.804
43 H GLY 7 HN GLY 7 0.567 -1.075 -1.698
44 HA2 GLY 7 HA2 GLY 7 -0.486 -3.325 -3.309
45 HA3 GLY 7 HA1 GLY 7 0.380 -1.892 -3.895
46 H HIS 8 HN HIS 8 2.745 -1.783 -2.977
47 HA HIS 8 HA HIS 8 4.203 -3.845 -4.217
48 HB2 HIS 8 HB2 HIS 8 4.868 -1.768 -2.154
49 HB3 HIS 8 HB1 HIS 8 6.082 -2.993 -2.562
50 HD1 HIS 8 HD1 HIS 8 7.734 -1.787 -3.972
51 HD2 HIS 8 HD2 HIS 8 3.801 -0.814 -4.981
52 HE1 HIS 8 HE1 HIS 8 7.863 -0.375 -6.078
53 H LEU 9 HN LEU 9 4.068 -3.319 -0.666
54 HA LEU 9 HA LEU 9 5.194 -5.780 0.075
55 HB2 LEU 9 HB2 LEU 9 2.962 -4.428 1.600
56 HB3 LEU 9 HB1 LEU 9 4.268 -5.433 2.238
57 HG LEU 9 HG LEU 9 4.506 -2.638 1.107
58 HD11 LEU 9 HD11 LEU 9 5.135 -3.695 3.870
59 HD12 LEU 9 HD12 LEU 9 3.586 -2.936 3.440
60 HD13 LEU 9 HD13 LEU 9 5.098 -1.996 3.348
61 HD21 LEU 9 HD21 LEU 9 6.617 -4.611 1.989
62 HD22 LEU 9 HD22 LEU 9 6.912 -2.859 1.857
63 HD23 LEU 9 HD23 LEU 9 6.476 -3.801 0.411
64 H MET 10 HN MET 10 1.679 -5.067 0.291
65 HA MET 10 HA MET 10 1.026 -7.885 0.393
66 HB2 MET 10 HB2 MET 10 -0.261 -5.547 1.041
67 HB3 MET 10 HB1 MET 10 -1.130 -6.019 -0.427
68 HG2 MET 10 HG2 MET 10 -1.507 -8.265 0.580
69 HG3 MET 10 HG1 MET 10 -0.774 -7.664 2.081
70 HE1 MET 10 HE1 MET 10 -1.649 -5.833 3.520
71 HE2 MET 10 HE2 MET 10 -1.968 -4.595 2.288
72 HE3 MET 10 HE3 MET 10 -3.252 -5.067 3.421