Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
629806 | 5v4c RC | 30270 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ASN 1 H1 ASN 1 -7.754 -4.220 4.658
2 H2 ASN 1 H2 ASN 1 -9.211 -3.447 4.690
3 H3 ASN 1 H3 ASN 1 -8.975 -4.800 5.603
4 HA ASN 1 HA ASN 1 -8.767 -6.173 3.704
5 HB2 ASN 1 HB3 ASN 1 -11.009 -5.514 4.782
6 HB3 ASN 1 HB2 ASN 1 -11.241 -4.450 3.391
7 HD21 ASN 1 HD21 ASN 1 -10.893 -7.896 4.354
8 HD22 ASN 1 HD22 ASN 1 -11.726 -8.538 2.957
9 H VAL 2 H VAL 2 -8.958 -6.471 1.425
10 HA VAL 2 HA VAL 2 -7.460 -4.568 -0.114
11 HB VAL 2 HB VAL 2 -8.829 -7.084 -1.052
12 HG11 VAL 2 HG11 VAL 2 -8.264 -5.574 -2.958
13 HG12 VAL 2 HG12 VAL 2 -7.375 -7.116 -2.981
14 HG13 VAL 2 HG13 VAL 2 -6.559 -5.625 -2.450
15 HG21 VAL 2 HG21 VAL 2 -7.103 -7.514 0.701
16 HG22 VAL 2 HG22 VAL 2 -6.708 -8.230 -0.880
17 HG23 VAL 2 HG23 VAL 2 -5.892 -6.740 -0.348
18 H HIS 3 H HIS 3 -10.941 -5.483 -0.386
19 HA HIS 3 HA HIS 3 -11.548 -3.814 -2.601
20 HB2 HIS 3 HB3 HIS 3 -12.825 -5.804 -1.482
21 HB3 HIS 3 HB2 HIS 3 -13.619 -4.524 -0.542
22 HD1 HIS 3 HD1 HIS 3 -13.056 -5.472 -4.320
23 HD2 HIS 3 HD2 HIS 3 -15.601 -3.247 -1.676
24 HE1 HIS 3 HE1 HIS 3 -15.076 -4.519 -5.603
25 H THR 4 H THR 4 -11.942 -3.074 0.870
26 HA THR 4 HA THR 4 -13.002 -0.409 0.356
27 HB THR 4 HB THR 4 -12.874 -0.239 2.888
28 HG1 THR 4 HG1 THR 4 -12.578 -2.157 4.031
29 HG21 THR 4 HG21 THR 4 -14.778 -1.729 3.339
30 HG22 THR 4 HG22 THR 4 -14.991 -0.814 1.827
31 HG23 THR 4 HG23 THR 4 -14.521 -2.530 1.771
32 H PHE 5 H PHE 5 -10.140 -1.421 2.300
33 HA PHE 5 HA PHE 5 -8.858 1.187 1.982
34 HB2 PHE 5 HB3 PHE 5 -7.870 -1.389 3.269
35 HB3 PHE 5 HB2 PHE 5 -6.994 0.143 3.282
36 HD1 PHE 5 HD1 PHE 5 -7.329 1.653 5.099
37 HD2 PHE 5 HD2 PHE 5 -10.180 -1.493 4.385
38 HE1 PHE 5 HE1 PHE 5 -8.409 2.128 7.278
39 HE2 PHE 5 HE2 PHE 5 -11.280 -0.994 6.567
40 HZ PHE 5 HZ PHE 5 -10.375 0.812 8.011
41 H ARG 6 H ARG 6 -7.468 1.815 0.475
42 HA ARG 6 HA ARG 6 -6.597 -0.034 -1.635
43 HB2 ARG 6 HB2 ARG 6 -7.499 2.510 -1.657
44 HB3 ARG 6 HB3 ARG 6 -5.762 2.829 -1.649
45 HG2 ARG 6 HG3 ARG 6 -7.177 1.092 -3.706
46 HG3 ARG 6 HG2 ARG 6 -6.834 2.816 -3.916
47 HD2 ARG 6 HD3 ARG 6 -4.396 2.347 -3.741
48 HD3 ARG 6 HD2 ARG 6 -4.756 0.617 -3.578
49 HE ARG 6 HE ARG 6 -5.282 0.495 -5.871
50 HH11 ARG 6 HH11 ARG 6 -4.633 3.936 -5.049
51 HH12 ARG 6 HH12 ARG 6 -4.520 4.381 -6.737
52 HH21 ARG 6 HH21 ARG 6 -5.109 1.178 -7.962
53 HH22 ARG 6 HH22 ARG 6 -4.784 2.853 -8.347
54 H GLY 7 H GLY 7 -4.785 2.521 0.089
55 HA2 GLY 7 HA3 GLY 7 -2.814 2.253 1.409
56 HA3 GLY 7 HA2 GLY 7 -2.584 0.635 0.726
57 H ILE 8 H ILE 8 -2.753 4.021 -0.448
58 HA ILE 8 HA ILE 8 -0.860 3.631 -2.608
59 HB ILE 8 HB ILE 8 -1.982 6.148 -1.347
60 HG12 ILE 8 HG13 ILE 8 -3.278 5.998 -3.736
61 HG13 ILE 8 HG12 ILE 8 -3.144 4.282 -3.333
62 HG21 ILE 8 HG21 ILE 8 0.085 6.580 -2.649
63 HG22 ILE 8 HG22 ILE 8 -0.706 5.892 -4.088
64 HG23 ILE 8 HG23 ILE 8 -1.356 7.369 -3.336
65 HD11 ILE 8 HD11 ILE 8 -5.290 5.203 -2.566
66 HD12 ILE 8 HD12 ILE 8 -4.432 6.407 -1.576
67 HD13 ILE 8 HD13 ILE 8 -4.298 4.676 -1.186
68 H ASN 9 H ASN 9 -0.664 5.550 0.414
69 HA ASN 9 HA ASN 9 2.142 6.017 0.388
70 HB2 ASN 9 HB2 ASN 9 0.248 7.205 1.624
71 HB3 ASN 9 HB3 ASN 9 0.435 5.971 2.870
72 HD21 ASN 9 HD21 ASN 9 2.391 8.777 4.183
73 HD22 ASN 9 HD22 ASN 9 0.727 8.262 4.019
74 H GLY 10 H GLY 10 0.308 3.481 2.175
75 HA2 GLY 10 HA2 GLY 10 2.398 2.287 3.630
76 HA3 GLY 10 HA3 GLY 10 0.974 1.426 3.024
77 H HIS 11 H HIS 11 1.333 1.327 0.311
78 HA HIS 11 HA HIS 11 3.382 -0.652 -0.101
79 HB2 HIS 11 HB3 HIS 11 1.416 0.844 -1.836
80 HB3 HIS 11 HB2 HIS 11 2.690 -0.121 -2.598
81 HD1 HIS 11 HD1 HIS 11 2.108 -2.762 -2.871
82 HD2 HIS 11 HD2 HIS 11 -0.180 -0.486 -0.068
83 HE1 HIS 11 HE1 HIS 11 0.155 -4.177 -1.952
84 H ASN 12 H ASN 12 3.284 2.882 -0.872
85 HA ASN 12 HA ASN 12 5.605 3.018 -2.492
86 HB2 ASN 12 HB3 ASN 12 3.822 4.753 -2.205
87 HB3 ASN 12 HB2 ASN 12 4.531 5.163 -0.638
88 HD21 ASN 12 HD21 ASN 12 6.303 6.512 -4.121
89 HD22 ASN 12 HD22 ASN 12 5.077 5.265 -4.178
90 H SER 13 H SER 13 5.485 2.792 1.072
91 HA SER 13 HA SER 13 8.429 3.141 1.184
92 HB2 SER 13 HB3 SER 13 6.240 3.773 3.119
93 HB3 SER 13 HB2 SER 13 7.809 3.265 3.782
94 HG SER 13 HG SER 13 7.690 5.551 3.436
95 H SER 14 H SER 14 5.861 0.794 2.331
96 HA SER 14 HA SER 14 7.856 -0.941 3.457
97 HB2 SER 14 HB3 SER 14 5.564 -0.920 4.287
98 HB3 SER 14 HB2 SER 14 5.036 -1.730 2.796
99 HG SER 14 HG SER 14 5.469 -3.220 4.510
100 H SER 15 H SER 15 6.193 -1.138 0.262
101 HA SER 15 HA SER 15 7.677 -3.469 -0.579
102 HB2 SER 15 HB3 SER 15 5.498 -2.604 -1.539
103 HB3 SER 15 HB2 SER 15 6.433 -1.324 -2.341
104 HG SER 15 HG SER 15 6.107 -3.168 -3.698
105 H SER 16 H SER 16 8.779 -0.151 -0.223
106 HA SER 16 HA SER 16 10.997 -0.490 -2.171
107 HB2 SER 16 HB3 SER 16 10.091 1.923 -0.540
108 HB3 SER 16 HB2 SER 16 11.475 1.912 -1.654
109 HG SER 16 HG SER 16 9.541 2.703 -2.647
110 H LEU 17 H LEU 17 12.498 -1.832 -1.309
111 HA LEU 17 HA LEU 17 13.220 -1.805 1.532
112 HB2 LEU 17 HB2 LEU 17 14.029 -3.346 -0.928
113 HB3 LEU 17 HB3 LEU 17 14.977 -3.494 0.554
114 HG LEU 17 HG LEU 17 13.351 -5.299 0.164
115 HD11 LEU 17 HD11 LEU 17 14.214 -4.764 2.421
116 HD12 LEU 17 HD12 LEU 17 12.642 -5.599 2.412
117 HD13 LEU 17 HD13 LEU 17 12.718 -3.851 2.734
118 HD21 LEU 17 HD21 LEU 17 11.439 -4.052 -0.791
119 HD22 LEU 17 HD22 LEU 17 11.080 -3.430 0.838
120 HD23 LEU 17 HD23 LEU 17 11.004 -5.179 0.516
Start of MODEL 2
1 H1 ASN 1 H1 ASN 1 -8.927 -5.132 4.612
2 H2 ASN 1 H2 ASN 1 -10.339 -4.284 4.521
3 H3 ASN 1 H3 ASN 1 -10.331 -5.807 5.155
4 HA ASN 1 HA ASN 1 -9.777 -6.781 3.086
5 HB2 ASN 1 HB3 ASN 1 -12.169 -6.156 3.855
6 HB3 ASN 1 HB2 ASN 1 -12.082 -4.860 2.655
7 HD21 ASN 1 HD21 ASN 1 -13.004 -5.331 0.705
8 HD22 ASN 1 HD22 ASN 1 -13.172 -6.937 0.034
9 H VAL 2 H VAL 2 -9.624 -6.567 0.759
10 HA VAL 2 HA VAL 2 -7.712 -4.595 -0.055
11 HB VAL 2 HB VAL 2 -9.167 -6.616 -1.757
12 HG11 VAL 2 HG21 VAL 2 -8.127 -4.819 -3.142
13 HG12 VAL 2 HG22 VAL 2 -6.548 -5.228 -2.428
14 HG13 VAL 2 HG23 VAL 2 -7.418 -6.430 -3.413
15 HG21 VAL 2 HG11 VAL 2 -7.820 -7.670 0.063
16 HG22 VAL 2 HG12 VAL 2 -6.372 -6.865 -0.588
17 HG23 VAL 2 HG13 VAL 2 -7.242 -8.067 -1.573
18 H HIS 3 H HIS 3 -11.188 -4.895 -0.969
19 HA HIS 3 HA HIS 3 -11.273 -2.692 -2.756
20 HB2 HIS 3 HB3 HIS 3 -12.944 -4.652 -2.272
21 HB3 HIS 3 HB2 HIS 3 -13.676 -3.493 -1.143
22 HD1 HIS 3 HD1 HIS 3 -12.809 -3.763 -4.964
23 HD2 HIS 3 HD2 HIS 3 -15.190 -1.582 -2.135
24 HE1 HIS 3 HE1 HIS 3 -14.403 -2.149 -6.184
25 H THR 4 H THR 4 -12.034 -2.724 0.737
26 HA THR 4 HA THR 4 -12.661 0.093 0.890
27 HB THR 4 HB THR 4 -12.555 -0.359 3.387
28 HG1 THR 4 HG1 THR 4 -12.287 -3.068 2.591
29 HG21 THR 4 HG21 THR 4 -14.612 -1.703 3.502
30 HG22 THR 4 HG22 THR 4 -14.423 -2.136 1.786
31 HG23 THR 4 HG23 THR 4 -14.710 -0.441 2.250
32 H PHE 5 H PHE 5 -9.989 -1.680 2.530
33 HA PHE 5 HA PHE 5 -8.296 0.738 2.545
34 HB2 PHE 5 HB3 PHE 5 -7.713 -2.053 3.609
35 HB3 PHE 5 HB2 PHE 5 -6.687 -0.633 3.809
36 HD1 PHE 5 HD1 PHE 5 -10.027 -2.068 4.761
37 HD2 PHE 5 HD2 PHE 5 -6.924 0.800 5.683
38 HE1 PHE 5 HE1 PHE 5 -11.127 -1.598 6.947
39 HE2 PHE 5 HE2 PHE 5 -8.020 1.235 7.863
40 HZ PHE 5 HZ PHE 5 -10.147 0.082 8.471
41 H ARG 6 H ARG 6 -7.091 1.221 0.881
42 HA ARG 6 HA ARG 6 -6.298 -0.793 -1.130
43 HB2 ARG 6 HB3 ARG 6 -7.278 1.815 -1.213
44 HB3 ARG 6 HB2 ARG 6 -5.562 2.013 -1.587
45 HG2 ARG 6 HG2 ARG 6 -6.598 1.820 -3.680
46 HG3 ARG 6 HG3 ARG 6 -5.883 0.226 -3.394
47 HD2 ARG 6 HD2 ARG 6 -8.113 -0.653 -2.736
48 HD3 ARG 6 HD3 ARG 6 -8.827 0.950 -3.017
49 HE ARG 6 HE ARG 6 -7.415 0.054 -5.368
50 HH11 ARG 6 HH11 ARG 6 -11.303 -1.063 -5.111
51 HH12 ARG 6 HH12 ARG 6 -10.511 -0.537 -3.642
52 HH21 ARG 6 HH21 ARG 6 -10.198 -1.114 -7.055
53 HH22 ARG 6 HH22 ARG 6 -8.520 -0.631 -7.155
54 H GLY 7 H GLY 7 -4.560 2.093 0.049
55 HA2 GLY 7 HA3 GLY 7 -2.519 2.004 1.394
56 HA3 GLY 7 HA2 GLY 7 -2.158 0.420 0.680
57 H ILE 8 H ILE 8 -2.732 3.816 -0.313
58 HA ILE 8 HA ILE 8 -1.120 3.639 -2.720
59 HB ILE 8 HB ILE 8 -2.245 6.024 -1.229
60 HG12 ILE 8 HG13 ILE 8 -3.833 5.862 -3.422
61 HG13 ILE 8 HG12 ILE 8 -3.507 4.145 -3.153
62 HG21 ILE 8 HG21 ILE 8 -0.398 6.644 -2.764
63 HG22 ILE 8 HG22 ILE 8 -1.314 5.934 -4.117
64 HG23 ILE 8 HG23 ILE 8 -1.966 7.339 -3.240
65 HD11 ILE 8 HD11 ILE 8 -5.607 4.825 -2.071
66 HD12 ILE 8 HD12 ILE 8 -4.407 4.311 -0.860
67 HD13 ILE 8 HD13 ILE 8 -4.732 6.043 -1.112
68 H ASN 9 H ASN 9 -0.680 5.488 0.311
69 HA ASN 9 HA ASN 9 2.142 5.956 -0.064
70 HB2 ASN 9 HB2 ASN 9 0.371 7.333 1.187
71 HB3 ASN 9 HB3 ASN 9 0.667 6.246 2.545
72 HD21 ASN 9 HD21 ASN 9 2.775 9.140 3.319
73 HD22 ASN 9 HD22 ASN 9 1.096 8.653 3.375
74 H GLY 10 H GLY 10 0.364 3.674 2.072
75 HA2 GLY 10 HA2 GLY 10 2.458 2.579 3.570
76 HA3 GLY 10 HA3 GLY 10 1.020 1.682 3.062
77 H HIS 11 H HIS 11 1.315 1.243 0.411
78 HA HIS 11 HA HIS 11 3.400 -0.736 0.193
79 HB2 HIS 11 HB3 HIS 11 1.429 0.495 -1.760
80 HB3 HIS 11 HB2 HIS 11 2.618 -0.709 -2.270
81 HD1 HIS 11 HD1 HIS 11 -0.534 -0.469 0.077
82 HD2 HIS 11 HD2 HIS 11 2.104 -3.211 -1.884
83 HE1 HIS 11 HE1 HIS 11 -1.492 -2.854 0.178
84 H ASN 12 H ASN 12 3.168 2.661 -1.043
85 HA ASN 12 HA ASN 12 5.433 2.626 -2.749
86 HB2 ASN 12 HB3 ASN 12 3.609 4.347 -2.623
87 HB3 ASN 12 HB2 ASN 12 4.384 4.988 -1.168
88 HD21 ASN 12 HD21 ASN 12 6.711 6.986 -2.935
89 HD22 ASN 12 HD22 ASN 12 6.025 6.519 -1.395
90 H SER 13 H SER 13 5.428 2.904 0.815
91 HA SER 13 HA SER 13 8.361 3.333 0.782
92 HB2 SER 13 HB3 SER 13 6.212 4.111 2.718
93 HB3 SER 13 HB2 SER 13 7.840 3.779 3.354
94 HG SER 13 HG SER 13 7.565 5.991 2.726
95 H SER 14 H SER 14 5.916 1.082 2.319
96 HA SER 14 HA SER 14 8.003 -0.438 3.578
97 HB2 SER 14 HB3 SER 14 5.739 -0.377 4.479
98 HB3 SER 14 HB2 SER 14 5.194 -1.396 3.129
99 HG SER 14 HG SER 14 5.738 -2.629 5.007
100 H SER 15 H SER 15 6.252 -1.089 0.494
101 HA SER 15 HA SER 15 7.775 -3.469 -0.094
102 HB2 SER 15 HB3 SER 15 5.547 -2.787 -1.086
103 HB3 SER 15 HB2 SER 15 6.423 -1.597 -2.073
104 HG SER 15 HG SER 15 6.111 -3.608 -3.174
105 H SER 16 H SER 16 8.789 -0.102 -0.205
106 HA SER 16 HA SER 16 10.967 -0.642 -2.156
107 HB2 SER 16 HB3 SER 16 10.030 1.944 -0.833
108 HB3 SER 16 HB2 SER 16 11.387 1.821 -1.973
109 HG SER 16 HG SER 16 9.410 2.422 -3.010
110 H LEU 17 H LEU 17 12.529 -1.813 -1.172
111 HA LEU 17 HA LEU 17 13.323 -1.396 1.620
112 HB2 LEU 17 HB2 LEU 17 14.121 -3.221 -0.642
113 HB3 LEU 17 HB3 LEU 17 15.108 -3.147 0.820
114 HG LEU 17 HG LEU 17 13.532 -5.034 0.713
115 HD11 LEU 17 HD11 LEU 17 14.430 -4.184 2.856
116 HD12 LEU 17 HD12 LEU 17 12.887 -5.058 2.999
117 HD13 LEU 17 HD13 LEU 17 12.914 -3.281 3.089
118 HD21 LEU 17 HD21 LEU 17 11.556 -3.978 -0.343
119 HD22 LEU 17 HD22 LEU 17 11.189 -4.937 1.110
120 HD23 LEU 17 HD23 LEU 17 11.217 -3.159 1.200
Start of MODEL 3
1 H1 ASN 1 H1 ASN 1 -8.284 7.243 -2.275
2 H2 ASN 1 H2 ASN 1 -9.554 6.421 -2.931
3 H3 ASN 1 H3 ASN 1 -8.776 5.817 -1.607
4 HA ASN 1 HA ASN 1 -10.385 8.269 -1.728
5 HB2 ASN 1 HB3 ASN 1 -11.493 5.944 -1.806
6 HB3 ASN 1 HB2 ASN 1 -10.924 5.740 -0.145
7 HD21 ASN 1 HD21 ASN 1 -14.187 8.152 -0.931
8 HD22 ASN 1 HD22 ASN 1 -13.148 7.616 -2.232
9 H VAL 2 H VAL 2 -10.771 9.315 0.322
10 HA VAL 2 HA VAL 2 -8.344 9.462 1.947
11 HB VAL 2 HB VAL 2 -10.779 11.236 2.017
12 HG11 VAL 2 HG21 VAL 2 -9.536 11.292 4.180
13 HG12 VAL 2 HG22 VAL 2 -8.079 11.798 3.293
14 HG13 VAL 2 HG23 VAL 2 -9.518 12.845 3.310
15 HG21 VAL 2 HG11 VAL 2 -9.501 11.412 -0.120
16 HG22 VAL 2 HG12 VAL 2 -8.058 11.868 0.818
17 HG23 VAL 2 HG13 VAL 2 -9.498 12.914 0.835
18 H HIS 3 H HIS 3 -11.835 9.069 2.850
19 HA HIS 3 HA HIS 3 -11.309 8.426 5.569
20 HB2 HIS 3 HB3 HIS 3 -13.474 9.224 4.365
21 HB3 HIS 3 HB2 HIS 3 -13.798 7.490 4.171
22 HD1 HIS 3 HD1 HIS 3 -13.043 10.019 7.092
23 HD2 HIS 3 HD2 HIS 3 -14.844 6.226 6.205
24 HE1 HIS 3 HE1 HIS 3 -14.220 9.072 9.178
25 H THR 4 H THR 4 -11.957 6.179 2.868
26 HA THR 4 HA THR 4 -11.481 3.826 4.536
27 HB THR 4 HB THR 4 -11.823 2.623 2.302
28 HG1 THR 4 HG1 THR 4 -11.485 4.485 0.966
29 HG21 THR 4 HG21 THR 4 -14.267 2.874 2.308
30 HG22 THR 4 HG22 THR 4 -13.610 2.694 3.953
31 HG23 THR 4 HG23 THR 4 -14.115 4.297 3.367
32 H PHE 5 H PHE 5 -9.999 4.807 1.400
33 HA PHE 5 HA PHE 5 -7.885 4.785 0.599
34 HB2 PHE 5 HB2 PHE 5 -7.250 5.878 2.763
35 HB3 PHE 5 HB3 PHE 5 -6.747 4.294 3.349
36 HD1 PHE 5 HD1 PHE 5 -5.884 7.156 1.268
37 HD2 PHE 5 HD2 PHE 5 -4.695 3.253 2.647
38 HE1 PHE 5 HE1 PHE 5 -3.524 7.719 0.797
39 HE2 PHE 5 HE2 PHE 5 -2.322 3.841 2.233
40 HZ PHE 5 HZ PHE 5 -1.745 6.102 1.345
41 H ARG 6 H ARG 6 -6.735 3.423 -0.511
42 HA ARG 6 HA ARG 6 -7.158 0.537 -0.132
43 HB2 ARG 6 HB2 ARG 6 -7.270 2.078 -2.313
44 HB3 ARG 6 HB3 ARG 6 -5.562 1.637 -2.413
45 HG2 ARG 6 HG3 ARG 6 -7.842 -0.373 -2.270
46 HG3 ARG 6 HG2 ARG 6 -7.122 0.215 -3.777
47 HD2 ARG 6 HD3 ARG 6 -4.921 -0.724 -3.078
48 HD3 ARG 6 HD2 ARG 6 -5.683 -1.363 -1.606
49 HE ARG 6 HE ARG 6 -7.173 -2.313 -3.832
50 HH11 ARG 6 HH11 ARG 6 -3.888 -2.814 -2.451
51 HH12 ARG 6 HH12 ARG 6 -3.785 -4.430 -3.113
52 HH21 ARG 6 HH21 ARG 6 -6.926 -4.367 -4.619
53 HH22 ARG 6 HH22 ARG 6 -5.470 -5.288 -4.315
54 H GLY 7 H GLY 7 -4.253 2.279 -1.182
55 HA2 GLY 7 HA3 GLY 7 -2.541 1.927 1.000
56 HA3 GLY 7 HA2 GLY 7 -2.393 0.440 0.045
57 H ILE 8 H ILE 8 -2.626 3.953 -0.676
58 HA ILE 8 HA ILE 8 -0.773 3.849 -2.901
59 HB ILE 8 HB ILE 8 -1.957 6.172 -1.356
60 HG12 ILE 8 HG13 ILE 8 -3.283 6.235 -3.732
61 HG13 ILE 8 HG12 ILE 8 -3.068 4.491 -3.534
62 HG21 ILE 8 HG21 ILE 8 0.075 6.824 -2.621
63 HG22 ILE 8 HG22 ILE 8 -0.706 6.263 -4.120
64 HG23 ILE 8 HG23 ILE 8 -1.404 7.624 -3.209
65 HD11 ILE 8 HD11 ILE 8 -5.242 5.218 -2.647
66 HD12 ILE 8 HD12 ILE 8 -4.425 6.336 -1.529
67 HD13 ILE 8 HD13 ILE 8 -4.211 4.579 -1.346
68 H ASN 9 H ASN 9 -0.566 5.436 0.299
69 HA ASN 9 HA ASN 9 2.284 5.828 0.255
70 HB2 ASN 9 HB2 ASN 9 0.450 7.120 1.489
71 HB3 ASN 9 HB3 ASN 9 0.565 5.869 2.727
72 HD21 ASN 9 HD21 ASN 9 0.982 8.139 3.885
73 HD22 ASN 9 HD22 ASN 9 2.672 8.553 4.057
74 H GLY 10 H GLY 10 0.261 3.382 1.955
75 HA2 GLY 10 HA2 GLY 10 2.182 2.046 3.483
76 HA3 GLY 10 HA3 GLY 10 0.774 1.265 2.749
77 H HIS 11 H HIS 11 1.299 1.134 0.101
78 HA HIS 11 HA HIS 11 3.360 -0.871 -0.165
79 HB2 HIS 11 HB2 HIS 11 1.550 0.595 -2.098
80 HB3 HIS 11 HB3 HIS 11 2.784 -0.533 -2.679
81 HD1 HIS 11 HD1 HIS 11 -0.550 -0.562 -0.590
82 HD2 HIS 11 HD2 HIS 11 2.269 -3.078 -2.600
83 HE1 HIS 11 HE1 HIS 11 -1.487 -2.948 -0.819
84 H ASN 12 H ASN 12 3.269 2.650 -1.086
85 HA ASN 12 HA ASN 12 5.689 2.713 -2.559
86 HB2 ASN 12 HB2 ASN 12 3.941 4.490 -2.425
87 HB3 ASN 12 HB3 ASN 12 4.566 4.942 -0.832
88 HD21 ASN 12 HD21 ASN 12 6.216 6.462 -0.745
89 HD22 ASN 12 HD22 ASN 12 7.105 7.028 -2.142
90 H SER 13 H SER 13 5.290 2.750 0.974
91 HA SER 13 HA SER 13 8.140 3.194 1.530
92 HB2 SER 13 HB2 SER 13 7.328 3.234 3.880
93 HB3 SER 13 HB3 SER 13 6.369 4.313 2.851
94 HG SER 13 HG SER 13 4.828 3.237 3.916
95 H SER 14 H SER 14 5.749 0.540 2.280
96 HA SER 14 HA SER 14 7.817 -1.118 3.366
97 HB2 SER 14 HB3 SER 14 5.515 -1.287 4.137
98 HB3 SER 14 HB2 SER 14 5.080 -2.073 2.605
99 HG SER 14 HG SER 14 5.581 -3.594 4.272
100 H SER 15 H SER 15 6.292 -1.233 0.104
101 HA SER 15 HA SER 15 7.953 -3.436 -0.761
102 HB2 SER 15 HB3 SER 15 6.650 -1.312 -2.503
103 HB3 SER 15 HB2 SER 15 7.285 -2.879 -3.041
104 HG SER 15 HG SER 15 4.998 -2.914 -2.716
105 H SER 16 H SER 16 8.808 -0.036 -0.252
106 HA SER 16 HA SER 16 11.170 -0.228 -2.044
107 HB2 SER 16 HB3 SER 16 9.766 1.826 -2.123
108 HB3 SER 16 HB2 SER 16 10.131 2.125 -0.409
109 HG SER 16 HG SER 16 11.539 3.286 -1.834
110 H LEU 17 H LEU 17 12.696 -1.491 -1.123
111 HA LEU 17 HA LEU 17 13.201 -1.549 1.739
112 HB2 LEU 17 HB2 LEU 17 14.334 -2.905 -0.682
113 HB3 LEU 17 HB3 LEU 17 15.170 -3.041 0.867
114 HG LEU 17 HG LEU 17 13.713 -4.939 0.277
115 HD11 LEU 17 HD11 LEU 17 14.376 -4.447 2.610
116 HD12 LEU 17 HD12 LEU 17 12.874 -5.389 2.454
117 HD13 LEU 17 HD13 LEU 17 12.801 -3.655 2.850
118 HD21 LEU 17 HD21 LEU 17 11.788 -3.785 -0.767
119 HD22 LEU 17 HD22 LEU 17 11.271 -3.263 0.856
120 HD23 LEU 17 HD23 LEU 17 11.345 -4.998 0.460
Start of MODEL 4
1 H1 ASN 1 H1 ASN 1 -8.866 7.217 -2.700
2 H2 ASN 1 H2 ASN 1 -9.323 5.805 -1.981
3 H3 ASN 1 H3 ASN 1 -10.176 6.390 -3.265
4 HA ASN 1 HA ASN 1 -10.926 8.259 -2.049
5 HB2 ASN 1 HB3 ASN 1 -12.048 5.947 -2.022
6 HB3 ASN 1 HB2 ASN 1 -11.376 5.759 -0.398
7 HD21 ASN 1 HD21 ASN 1 -14.666 8.190 -1.004
8 HD22 ASN 1 HD22 ASN 1 -13.704 7.647 -2.360
9 H VAL 2 H VAL 2 -11.181 9.354 -0.019
10 HA VAL 2 HA VAL 2 -8.671 9.524 1.471
11 HB VAL 2 HB VAL 2 -11.090 11.315 1.633
12 HG11 VAL 2 HG21 VAL 2 -9.727 11.414 3.720
13 HG12 VAL 2 HG22 VAL 2 -8.320 11.891 2.742
14 HG13 VAL 2 HG23 VAL 2 -9.752 12.946 2.815
15 HG21 VAL 2 HG11 VAL 2 -9.933 11.434 -0.576
16 HG22 VAL 2 HG12 VAL 2 -8.438 11.903 0.269
17 HG23 VAL 2 HG13 VAL 2 -9.870 12.958 0.343
18 H HIS 3 H HIS 3 -12.112 9.155 2.551
19 HA HIS 3 HA HIS 3 -11.470 8.600 5.262
20 HB2 HIS 3 HB3 HIS 3 -13.691 9.337 4.120
21 HB3 HIS 3 HB2 HIS 3 -14.004 7.594 3.995
22 HD1 HIS 3 HD1 HIS 3 -13.165 10.228 6.797
23 HD2 HIS 3 HD2 HIS 3 -14.949 6.385 6.113
24 HE1 HIS 3 HE1 HIS 3 -14.247 9.340 8.959
25 H THR 4 H THR 4 -12.197 6.259 2.663
26 HA THR 4 HA THR 4 -11.631 3.969 4.389
27 HB THR 4 HB THR 4 -12.040 2.685 2.215
28 HG1 THR 4 HG1 THR 4 -11.767 4.499 0.802
29 HG21 THR 4 HG21 THR 4 -14.485 2.913 2.298
30 HG22 THR 4 HG22 THR 4 -13.769 2.800 3.924
31 HG23 THR 4 HG23 THR 4 -14.312 4.375 3.298
32 H PHE 5 H PHE 5 -10.271 4.843 1.161
33 HA PHE 5 HA PHE 5 -8.186 4.805 0.288
34 HB2 PHE 5 HB2 PHE 5 -7.527 6.044 2.367
35 HB3 PHE 5 HB3 PHE 5 -6.957 4.514 3.027
36 HD1 PHE 5 HD1 PHE 5 -4.885 3.500 2.314
37 HD2 PHE 5 HD2 PHE 5 -6.249 7.284 0.775
38 HE1 PHE 5 HE1 PHE 5 -2.547 4.135 1.777
39 HE2 PHE 5 HE2 PHE 5 -3.923 7.894 0.194
40 HZ PHE 5 HZ PHE 5 -2.073 6.359 0.736
41 H ARG 6 H ARG 6 -6.918 3.423 -0.716
42 HA ARG 6 HA ARG 6 -7.339 0.549 -0.257
43 HB2 ARG 6 HB3 ARG 6 -7.191 2.182 -2.476
44 HB3 ARG 6 HB2 ARG 6 -5.580 1.456 -2.455
45 HG2 ARG 6 HG2 ARG 6 -6.811 0.065 -3.869
46 HG3 ARG 6 HG3 ARG 6 -6.761 -0.820 -2.336
47 HD2 ARG 6 HD3 ARG 6 -9.082 -0.051 -1.837
48 HD3 ARG 6 HD2 ARG 6 -9.118 0.810 -3.389
49 HE ARG 6 HE ARG 6 -9.279 -2.119 -2.976
50 HH11 ARG 6 HH11 ARG 6 -10.093 -2.682 -6.285
51 HH12 ARG 6 HH12 ARG 6 -9.956 -3.350 -4.674
52 HH21 ARG 6 HH21 ARG 6 -9.051 0.518 -5.411
53 HH22 ARG 6 HH22 ARG 6 -9.593 -0.540 -6.695
54 H GLY 7 H GLY 7 -4.370 2.211 -1.313
55 HA2 GLY 7 HA3 GLY 7 -2.757 1.988 0.969
56 HA3 GLY 7 HA2 GLY 7 -2.607 0.434 0.131
57 H ILE 8 H ILE 8 -2.685 3.883 -0.839
58 HA ILE 8 HA ILE 8 -0.695 3.576 -2.928
59 HB ILE 8 HB ILE 8 -1.942 6.028 -1.658
60 HG12 ILE 8 HG13 ILE 8 -3.107 5.917 -4.116
61 HG13 ILE 8 HG12 ILE 8 -2.936 4.192 -3.766
62 HG21 ILE 8 HG21 ILE 8 0.178 6.554 -2.829
63 HG22 ILE 8 HG22 ILE 8 -1.244 7.321 -3.575
64 HG23 ILE 8 HG23 ILE 8 -0.510 5.884 -4.329
65 HD11 ILE 8 HD11 ILE 8 -5.152 5.015 -3.091
66 HD12 ILE 8 HD12 ILE 8 -4.220 4.469 -1.676
67 HD13 ILE 8 HD13 ILE 8 -4.392 6.209 -2.012
68 H ASN 9 H ASN 9 -0.684 5.404 0.157
69 HA ASN 9 HA ASN 9 2.123 5.881 0.289
70 HB2 ASN 9 HB2 ASN 9 0.174 7.056 1.443
71 HB3 ASN 9 HB3 ASN 9 0.278 5.792 2.669
72 HD21 ASN 9 HD21 ASN 9 2.166 8.551 4.161
73 HD22 ASN 9 HD22 ASN 9 0.512 8.053 3.884
74 H GLY 10 H GLY 10 0.181 3.312 1.909
75 HA2 GLY 10 HA2 GLY 10 2.166 2.081 3.470
76 HA3 GLY 10 HA3 GLY 10 0.791 1.234 2.745
77 H HIS 11 H HIS 11 1.329 1.187 0.067
78 HA HIS 11 HA HIS 11 3.417 -0.771 -0.247
79 HB2 HIS 11 HB3 HIS 11 1.554 0.744 -2.079
80 HB3 HIS 11 HB2 HIS 11 2.881 -0.200 -2.774
81 HD1 HIS 11 HD1 HIS 11 2.330 -2.837 -3.133
82 HD2 HIS 11 HD2 HIS 11 -0.142 -0.624 -0.437
83 HE1 HIS 11 HE1 HIS 11 0.330 -4.278 -2.367
84 H ASN 12 H ASN 12 3.342 2.777 -0.966
85 HA ASN 12 HA ASN 12 5.761 2.949 -2.432
86 HB2 ASN 12 HB3 ASN 12 3.964 4.679 -2.231
87 HB3 ASN 12 HB2 ASN 12 4.563 5.056 -0.610
88 HD21 ASN 12 HD21 ASN 12 5.344 5.244 -4.100
89 HD22 ASN 12 HD22 ASN 12 6.568 6.483 -3.930
90 H SER 13 H SER 13 5.390 2.756 1.126
91 HA SER 13 HA SER 13 8.312 3.095 1.463
92 HB2 SER 13 HB3 SER 13 5.969 3.538 3.283
93 HB3 SER 13 HB2 SER 13 7.539 3.114 4.001
94 HG SER 13 HG SER 13 7.273 5.398 3.730
95 H SER 14 H SER 14 5.732 0.647 2.347
96 HA SER 14 HA SER 14 7.702 -1.083 3.525
97 HB2 SER 14 HB3 SER 14 5.368 -1.151 4.223
98 HB3 SER 14 HB2 SER 14 4.948 -1.926 2.680
99 HG SER 14 HG SER 14 5.333 -3.459 4.367
100 H SER 15 H SER 15 6.224 -1.220 0.234
101 HA SER 15 HA SER 15 7.838 -3.471 -0.589
102 HB2 SER 15 HB3 SER 15 5.684 -2.657 -1.646
103 HB3 SER 15 HB2 SER 15 6.616 -1.324 -2.363
104 HG SER 15 HG SER 15 6.435 -3.144 -3.780
105 H SER 16 H SER 16 8.796 -0.128 -0.073
106 HA SER 16 HA SER 16 11.052 -0.219 -1.977
107 HB2 SER 16 HB3 SER 16 9.729 1.869 -1.651
108 HB3 SER 16 HB2 SER 16 10.236 1.907 0.052
109 HG SER 16 HG SER 16 11.569 3.226 -1.301
110 H LEU 17 H LEU 17 12.899 -1.194 -1.464
111 HA LEU 17 HA LEU 17 13.548 -2.033 1.257
112 HB2 LEU 17 HB2 LEU 17 14.783 -2.311 -1.480
113 HB3 LEU 17 HB3 LEU 17 15.693 -2.797 -0.048
114 HG LEU 17 HG LEU 17 14.592 -4.634 -1.247
115 HD11 LEU 17 HD21 LEU 17 15.190 -4.817 1.147
116 HD12 LEU 17 HD22 LEU 17 13.879 -5.904 0.632
117 HD13 LEU 17 HD23 LEU 17 13.502 -4.432 1.560
118 HD21 LEU 17 HD11 LEU 17 12.472 -3.564 -1.945
119 HD22 LEU 17 HD12 LEU 17 12.275 -5.165 -1.193
120 HD23 LEU 17 HD13 LEU 17 11.897 -3.693 -0.265
Start of MODEL 5
1 H1 ASN 1 H1 ASN 1 -9.186 7.034 -1.974
2 H2 ASN 1 H2 ASN 1 -10.480 6.206 -2.574
3 H3 ASN 1 H3 ASN 1 -9.543 5.530 -1.397
4 HA ASN 1 HA ASN 1 -11.260 7.893 -1.128
5 HB2 ASN 1 HB3 ASN 1 -12.273 5.536 -1.314
6 HB3 ASN 1 HB2 ASN 1 -11.518 5.205 0.250
7 HD21 ASN 1 HD21 ASN 1 -14.021 7.179 -1.389
8 HD22 ASN 1 HD22 ASN 1 -14.940 7.517 0.060
9 H VAL 2 H VAL 2 -11.470 8.745 1.020
10 HA VAL 2 HA VAL 2 -8.904 8.881 2.415
11 HB VAL 2 HB VAL 2 -11.396 10.511 2.878
12 HG11 VAL 2 HG11 VAL 2 -9.940 10.454 4.904
13 HG12 VAL 2 HG12 VAL 2 -10.083 12.072 4.178
14 HG13 VAL 2 HG13 VAL 2 -8.606 11.111 3.926
15 HG21 VAL 2 HG21 VAL 2 -10.353 10.935 0.651
16 HG22 VAL 2 HG22 VAL 2 -10.320 12.349 1.731
17 HG23 VAL 2 HG23 VAL 2 -8.844 11.387 1.478
18 H HIS 3 H HIS 3 -12.269 8.214 3.590
19 HA HIS 3 HA HIS 3 -11.472 7.398 6.190
20 HB2 HIS 3 HB3 HIS 3 -13.777 8.137 5.232
21 HB3 HIS 3 HB2 HIS 3 -14.010 6.403 4.927
22 HD1 HIS 3 HD1 HIS 3 -13.167 8.756 7.972
23 HD2 HIS 3 HD2 HIS 3 -14.797 4.922 6.935
24 HE1 HIS 3 HE1 HIS 3 -14.100 7.577 10.061
25 H THR 4 H THR 4 -12.207 5.321 3.377
26 HA THR 4 HA THR 4 -11.450 2.889 4.810
27 HB THR 4 HB THR 4 -11.902 1.831 2.523
28 HG1 THR 4 HG1 THR 4 -11.786 3.802 1.315
29 HG21 THR 4 HG21 THR 4 -14.348 1.919 2.738
30 HG22 THR 4 HG22 THR 4 -14.196 3.271 3.887
31 HG23 THR 4 HG23 THR 4 -13.550 1.667 4.310
32 H PHE 5 H PHE 5 -10.291 4.178 1.645
33 HA PHE 5 HA PHE 5 -8.251 4.345 0.684
34 HB2 PHE 5 HB2 PHE 5 -7.549 5.390 2.848
35 HB3 PHE 5 HB3 PHE 5 -6.886 3.828 3.324
36 HD1 PHE 5 HD1 PHE 5 -6.426 6.821 1.283
37 HD2 PHE 5 HD2 PHE 5 -4.782 3.030 2.488
38 HE1 PHE 5 HE1 PHE 5 -4.167 7.620 0.680
39 HE2 PHE 5 HE2 PHE 5 -2.507 3.850 1.928
40 HZ PHE 5 HZ PHE 5 -2.208 6.172 1.050
41 H ARG 6 H ARG 6 -6.971 3.145 -0.519
42 HA ARG 6 HA ARG 6 -7.252 0.224 -0.350
43 HB2 ARG 6 HB2 ARG 6 -7.294 2.131 -2.369
44 HB3 ARG 6 HB3 ARG 6 -5.726 1.349 -2.597
45 HG2 ARG 6 HG3 ARG 6 -8.331 -0.196 -2.416
46 HG3 ARG 6 HG2 ARG 6 -7.702 0.454 -3.934
47 HD2 ARG 6 HD2 ARG 6 -7.098 -1.818 -3.917
48 HD3 ARG 6 HD3 ARG 6 -5.613 -0.928 -3.555
49 HE ARG 6 HE ARG 6 -5.549 -1.900 -1.421
50 HH11 ARG 6 HH11 ARG 6 -7.567 -4.329 -0.026
51 HH12 ARG 6 HH12 ARG 6 -6.074 -3.424 0.079
52 HH21 ARG 6 HH21 ARG 6 -9.018 -3.978 -1.694
53 HH22 ARG 6 HH22 ARG 6 -8.690 -2.787 -2.933
54 H GLY 7 H GLY 7 -4.419 2.225 -1.260
55 HA2 GLY 7 HA3 GLY 7 -2.688 1.789 0.866
56 HA3 GLY 7 HA2 GLY 7 -2.510 0.340 -0.137
57 H ILE 8 H ILE 8 -2.782 3.865 -0.748
58 HA ILE 8 HA ILE 8 -0.860 3.851 -2.923
59 HB ILE 8 HB ILE 8 -2.171 6.111 -1.387
60 HG12 ILE 8 HG13 ILE 8 -3.414 6.170 -3.809
61 HG13 ILE 8 HG12 ILE 8 -3.153 4.432 -3.628
62 HG21 ILE 8 HG21 ILE 8 -0.120 6.845 -2.571
63 HG22 ILE 8 HG22 ILE 8 -1.599 7.607 -3.199
64 HG23 ILE 8 HG23 ILE 8 -0.829 6.282 -4.104
65 HD11 ILE 8 HD11 ILE 8 -5.380 5.079 -2.812
66 HD12 ILE 8 HD12 ILE 8 -4.639 6.204 -1.648
67 HD13 ILE 8 HD13 ILE 8 -4.378 4.451 -1.483
68 H ASN 9 H ASN 9 -0.826 5.395 0.311
69 HA ASN 9 HA ASN 9 1.985 5.931 0.396
70 HB2 ASN 9 HB2 ASN 9 0.033 7.022 1.640
71 HB3 ASN 9 HB3 ASN 9 0.197 5.712 2.809
72 HD21 ASN 9 HD21 ASN 9 2.071 8.448 4.361
73 HD22 ASN 9 HD22 ASN 9 0.420 7.929 4.109
74 H GLY 10 H GLY 10 0.098 3.256 1.904
75 HA2 GLY 10 HA2 GLY 10 2.101 1.993 3.404
76 HA3 GLY 10 HA3 GLY 10 0.753 1.151 2.626
77 H HIS 11 H HIS 11 1.321 1.219 -0.044
78 HA HIS 11 HA HIS 11 3.495 -0.648 -0.384
79 HB2 HIS 11 HB2 HIS 11 1.630 0.838 -2.246
80 HB3 HIS 11 HB3 HIS 11 2.951 -0.147 -2.892
81 HD1 HIS 11 HD1 HIS 11 -0.367 -0.601 -0.814
82 HD2 HIS 11 HD2 HIS 11 2.612 -2.713 -3.049
83 HE1 HIS 11 HE1 HIS 11 -1.104 -3.037 -1.212
84 H ASN 12 H ASN 12 3.235 2.909 -1.014
85 HA ASN 12 HA ASN 12 5.638 3.260 -2.463
86 HB2 ASN 12 HB2 ASN 12 3.752 4.873 -2.184
87 HB3 ASN 12 HB3 ASN 12 4.356 5.249 -0.566
88 HD21 ASN 12 HD21 ASN 12 5.857 6.902 -0.372
89 HD22 ASN 12 HD22 ASN 12 6.685 7.644 -1.722
90 H SER 13 H SER 13 5.356 2.780 1.064
91 HA SER 13 HA SER 13 8.289 3.194 1.297
92 HB2 SER 13 HB3 SER 13 6.059 4.033 3.048
93 HB3 SER 13 HB2 SER 13 7.470 3.353 3.889
94 HG SER 13 HG SER 13 7.670 5.629 3.516
95 H SER 14 H SER 14 5.667 0.857 2.270
96 HA SER 14 HA SER 14 7.552 -0.828 3.639
97 HB2 SER 14 HB3 SER 14 5.175 -0.813 4.206
98 HB3 SER 14 HB2 SER 14 4.831 -1.670 2.689
99 HG SER 14 HG SER 14 5.084 -3.108 4.482
100 H SER 15 H SER 15 6.282 -1.057 0.276
101 HA SER 15 HA SER 15 7.812 -3.428 -0.348
102 HB2 SER 15 HB3 SER 15 6.729 -1.279 -2.212
103 HB3 SER 15 HB2 SER 15 7.303 -2.888 -2.698
104 HG SER 15 HG SER 15 5.008 -2.797 -2.466
105 H SER 16 H SER 16 9.015 -0.210 0.206
106 HA SER 16 HA SER 16 11.178 -0.259 -1.765
107 HB2 SER 16 HB3 SER 16 10.683 1.557 0.632
108 HB3 SER 16 HB2 SER 16 11.942 1.800 -0.597
109 HG SER 16 HG SER 16 10.029 3.020 -1.034
110 H LEU 17 H LEU 17 13.081 -1.252 -1.586
111 HA LEU 17 HA LEU 17 13.835 -2.729 0.816
112 HB2 LEU 17 HB2 LEU 17 14.938 -2.331 -1.960
113 HB3 LEU 17 HB3 LEU 17 15.924 -3.133 -0.734
114 HG LEU 17 HG LEU 17 14.733 -4.633 -2.292
115 HD11 LEU 17 HD11 LEU 17 15.532 -5.381 -0.072
116 HD12 LEU 17 HD12 LEU 17 14.183 -6.339 -0.730
117 HD13 LEU 17 HD13 LEU 17 13.883 -5.147 0.558
118 HD21 LEU 17 HD21 LEU 17 12.562 -3.471 -2.533
119 HD22 LEU 17 HD22 LEU 17 12.130 -4.018 -0.895
120 HD23 LEU 17 HD23 LEU 17 12.430 -5.211 -2.183
Start of MODEL 6
1 H1 ASN 1 H1 ASN 1 -12.240 4.132 1.495
2 H2 ASN 1 H2 ASN 1 -13.450 3.466 0.595
3 H3 ASN 1 H3 ASN 1 -12.038 2.644 0.813
4 HA ASN 1 HA ASN 1 -14.022 3.303 2.868
5 HB2 ASN 1 HB3 ASN 1 -14.455 1.473 1.087
6 HB3 ASN 1 HB2 ASN 1 -13.196 0.551 1.918
7 HD21 ASN 1 HD21 ASN 1 -13.954 -0.929 3.383
8 HD22 ASN 1 HD22 ASN 1 -15.461 -0.790 4.259
9 H VAL 2 H VAL 2 -13.659 2.383 4.952
10 HA VAL 2 HA VAL 2 -10.889 2.651 5.830
11 HB VAL 2 HB VAL 2 -13.385 2.301 7.486
12 HG11 VAL 2 HG21 VAL 2 -11.341 1.608 8.740
13 HG12 VAL 2 HG22 VAL 2 -10.667 3.234 8.474
14 HG13 VAL 2 HG23 VAL 2 -12.152 3.033 9.432
15 HG21 VAL 2 HG11 VAL 2 -13.352 4.452 6.217
16 HG22 VAL 2 HG12 VAL 2 -11.821 4.867 7.025
17 HG23 VAL 2 HG13 VAL 2 -13.308 4.666 7.983
18 H HIS 3 H HIS 3 -13.311 -0.020 6.182
19 HA HIS 3 HA HIS 3 -11.513 -1.832 7.439
20 HB2 HIS 3 HB3 HIS 3 -14.113 -1.786 7.300
21 HB3 HIS 3 HB2 HIS 3 -13.877 -2.792 5.856
22 HD1 HIS 3 HD1 HIS 3 -12.894 -2.855 9.668
23 HD2 HIS 3 HD2 HIS 3 -13.458 -5.348 6.220
24 HE1 HIS 3 HE1 HIS 3 -12.682 -5.339 10.308
25 H THR 4 H THR 4 -12.455 -1.726 3.987
26 HA THR 4 HA THR 4 -10.614 -3.850 3.248
27 HB THR 4 HB THR 4 -11.308 -3.175 0.891
28 HG1 THR 4 HG1 THR 4 -12.050 -1.054 1.447
29 HG21 THR 4 HG21 THR 4 -13.549 -4.173 1.017
30 HG22 THR 4 HG22 THR 4 -13.517 -4.016 2.790
31 HG23 THR 4 HG23 THR 4 -12.357 -5.089 1.970
32 H PHE 5 H PHE 5 -10.758 -0.461 2.049
33 HA PHE 5 HA PHE 5 -9.239 1.057 1.466
34 HB2 PHE 5 HB3 PHE 5 -7.518 1.674 2.853
35 HB3 PHE 5 HB2 PHE 5 -8.730 0.912 3.873
36 HD1 PHE 5 HD1 PHE 5 -8.090 -0.910 5.334
37 HD2 PHE 5 HD2 PHE 5 -5.366 0.459 2.286
38 HE1 PHE 5 HE1 PHE 5 -6.271 -2.235 6.356
39 HE2 PHE 5 HE2 PHE 5 -3.544 -0.870 3.317
40 HZ PHE 5 HZ PHE 5 -3.998 -2.217 5.357
41 H ARG 6 H ARG 6 -7.505 1.708 0.190
42 HA ARG 6 HA ARG 6 -6.562 -0.340 -1.684
43 HB2 ARG 6 HB3 ARG 6 -7.353 2.292 -1.891
44 HB3 ARG 6 HB2 ARG 6 -5.594 2.446 -1.944
45 HG2 ARG 6 HG2 ARG 6 -6.225 2.339 -4.192
46 HG3 ARG 6 HG3 ARG 6 -5.636 0.709 -3.834
47 HD2 ARG 6 HD2 ARG 6 -7.975 -0.093 -3.632
48 HD3 ARG 6 HD3 ARG 6 -8.569 1.546 -3.975
49 HE ARG 6 HE ARG 6 -6.819 0.768 -6.088
50 HH11 ARG 6 HH11 ARG 6 -10.596 -0.662 -6.465
51 HH12 ARG 6 HH12 ARG 6 -10.080 -0.143 -4.876
52 HH21 ARG 6 HH21 ARG 6 -9.213 -0.536 -8.218
53 HH22 ARG 6 HH22 ARG 6 -7.586 0.082 -8.046
54 H GLY 7 H GLY 7 -4.782 2.380 -0.208
55 HA2 GLY 7 HA3 GLY 7 -2.896 2.151 1.307
56 HA3 GLY 7 HA2 GLY 7 -2.574 0.546 0.626
57 H ILE 8 H ILE 8 -2.839 3.936 -0.492
58 HA ILE 8 HA ILE 8 -0.897 3.663 -2.627
59 HB ILE 8 HB ILE 8 -2.157 6.103 -1.345
60 HG12 ILE 8 HG13 ILE 8 -3.418 5.941 -3.747
61 HG13 ILE 8 HG12 ILE 8 -3.192 4.223 -3.396
62 HG21 ILE 8 HG21 ILE 8 -0.094 6.651 -2.610
63 HG22 ILE 8 HG22 ILE 8 -1.559 7.380 -3.310
64 HG23 ILE 8 HG23 ILE 8 -0.829 5.946 -4.069
65 HD11 ILE 8 HD11 ILE 8 -5.400 4.996 -2.636
66 HD12 ILE 8 HD12 ILE 8 -4.399 4.479 -1.256
67 HD13 ILE 8 HD13 ILE 8 -4.626 6.213 -1.592
68 H ASN 9 H ASN 9 -0.841 5.543 0.424
69 HA ASN 9 HA ASN 9 1.943 6.122 0.464
70 HB2 ASN 9 HB2 ASN 9 -0.023 7.213 1.678
71 HB3 ASN 9 HB3 ASN 9 0.195 5.972 2.910
72 HD21 ASN 9 HD21 ASN 9 0.364 8.259 4.092
73 HD22 ASN 9 HD22 ASN 9 2.000 8.842 4.294
74 H GLY 10 H GLY 10 0.178 3.484 2.168
75 HA2 GLY 10 HA2 GLY 10 2.297 2.360 3.647
76 HA3 GLY 10 HA3 GLY 10 0.913 1.452 3.016
77 H HIS 11 H HIS 11 1.317 1.411 0.292
78 HA HIS 11 HA HIS 11 3.450 -0.483 -0.099
79 HB2 HIS 11 HB3 HIS 11 1.448 0.936 -1.846
80 HB3 HIS 11 HB2 HIS 11 2.802 0.089 -2.612
81 HD1 HIS 11 HD1 HIS 11 2.499 -2.612 -2.867
82 HD2 HIS 11 HD2 HIS 11 -0.134 -0.535 -0.217
83 HE1 HIS 11 HE1 HIS 11 0.656 -4.201 -2.010
84 H ASN 12 H ASN 12 3.239 3.056 -0.807
85 HA ASN 12 HA ASN 12 5.561 3.333 -2.388
86 HB2 ASN 12 HB2 ASN 12 3.719 4.987 -2.005
87 HB3 ASN 12 HB3 ASN 12 4.453 5.381 -0.445
88 HD21 ASN 12 HD21 ASN 12 6.749 7.689 -1.827
89 HD22 ASN 12 HD22 ASN 12 6.013 6.994 -0.400
90 H SER 13 H SER 13 5.483 2.894 1.152
91 HA SER 13 HA SER 13 8.436 3.221 1.195
92 HB2 SER 13 HB3 SER 13 6.360 4.222 3.043
93 HB3 SER 13 HB2 SER 13 7.782 3.498 3.828
94 HG SER 13 HG SER 13 8.073 5.748 3.363
95 H SER 14 H SER 14 5.790 1.029 2.407
96 HA SER 14 HA SER 14 7.688 -0.689 3.721
97 HB2 SER 14 HB3 SER 14 5.356 -0.549 4.434
98 HB3 SER 14 HB2 SER 14 4.875 -1.428 2.967
99 HG SER 14 HG SER 14 5.171 -2.827 4.784
100 H SER 15 H SER 15 6.191 -0.980 0.460
101 HA SER 15 HA SER 15 7.583 -3.432 -0.175
102 HB2 SER 15 HB3 SER 15 6.444 -1.314 -2.044
103 HB3 SER 15 HB2 SER 15 6.911 -2.966 -2.497
104 HG SER 15 HG SER 15 4.644 -2.763 -2.103
105 H SER 16 H SER 16 8.935 -0.249 0.175
106 HA SER 16 HA SER 16 10.936 -0.434 -1.950
107 HB2 SER 16 HB3 SER 16 10.691 1.464 0.422
108 HB3 SER 16 HB2 SER 16 11.859 1.627 -0.907
109 HG SER 16 HG SER 16 9.960 2.905 -1.231
110 H LEU 17 H LEU 17 12.810 -1.491 -1.886
111 HA LEU 17 HA LEU 17 13.700 -2.927 0.493
112 HB2 LEU 17 HB2 LEU 17 14.597 -2.646 -2.369
113 HB3 LEU 17 HB3 LEU 17 15.649 -3.447 -1.199
114 HG LEU 17 HG LEU 17 14.292 -4.948 -2.615
115 HD11 LEU 17 HD21 LEU 17 15.227 -5.669 -0.438
116 HD12 LEU 17 HD22 LEU 17 13.642 -5.351 0.306
117 HD13 LEU 17 HD23 LEU 17 13.797 -6.589 -0.964
118 HD21 LEU 17 HD11 LEU 17 12.152 -3.710 -2.725
119 HD22 LEU 17 HD12 LEU 17 11.828 -4.195 -1.043
120 HD23 LEU 17 HD13 LEU 17 11.983 -5.434 -2.312
Start of MODEL 7
1 H1 ASN 1 H1 ASN 1 -10.573 -3.493 4.938
2 H2 ASN 1 H2 ASN 1 -9.221 -4.056 5.694
3 H3 ASN 1 H3 ASN 1 -9.948 -2.676 6.227
4 HA ASN 1 HA ASN 1 -9.399 -1.480 4.329
5 HB2 ASN 1 HB3 ASN 1 -7.877 -1.872 6.327
6 HB3 ASN 1 HB2 ASN 1 -6.925 -2.920 5.270
7 HD21 ASN 1 HD21 ASN 1 -5.015 -0.260 3.989
8 HD22 ASN 1 HD22 ASN 1 -5.186 -1.975 4.289
9 H VAL 2 H VAL 2 -9.596 -4.616 3.459
10 HA VAL 2 HA VAL 2 -7.925 -4.574 1.065
11 HB VAL 2 HB VAL 2 -9.871 -6.682 2.000
12 HG11 VAL 2 HG11 VAL 2 -9.478 -6.802 -0.460
13 HG12 VAL 2 HG12 VAL 2 -7.736 -6.986 -0.142
14 HG13 VAL 2 HG13 VAL 2 -8.881 -8.227 0.423
15 HG21 VAL 2 HG21 VAL 2 -7.918 -6.423 3.532
16 HG22 VAL 2 HG22 VAL 2 -7.981 -8.010 2.726
17 HG23 VAL 2 HG23 VAL 2 -6.836 -6.769 2.160
18 H HIS 3 H HIS 3 -11.493 -4.835 1.573
19 HA HIS 3 HA HIS 3 -12.210 -4.331 -1.142
20 HB2 HIS 3 HB3 HIS 3 -13.505 -5.379 0.890
21 HB3 HIS 3 HB2 HIS 3 -14.060 -3.711 1.145
22 HD1 HIS 3 HD1 HIS 3 -16.631 -4.324 0.355
23 HD2 HIS 3 HD2 HIS 3 -13.439 -4.988 -2.437
24 HE1 HIS 3 HE1 HIS 3 -17.573 -4.756 -2.004
25 H THR 4 H THR 4 -12.044 -2.060 1.607
26 HA THR 4 HA THR 4 -13.058 0.211 0.136
27 HB THR 4 HB THR 4 -12.296 1.460 2.216
28 HG1 THR 4 HG1 THR 4 -11.745 0.217 4.015
29 HG21 THR 4 HG21 THR 4 -14.044 0.574 3.702
30 HG22 THR 4 HG22 THR 4 -14.620 0.748 2.027
31 HG23 THR 4 HG23 THR 4 -14.199 -0.861 2.661
32 H PHE 5 H PHE 5 -9.819 -0.176 1.673
33 HA PHE 5 HA PHE 5 -8.637 1.789 -0.159
34 HB2 PHE 5 HB3 PHE 5 -8.195 1.579 2.340
35 HB3 PHE 5 HB2 PHE 5 -7.281 0.118 1.971
36 HD1 PHE 5 HD1 PHE 5 -7.320 3.802 1.666
37 HD2 PHE 5 HD2 PHE 5 -5.025 0.171 1.312
38 HE1 PHE 5 HE1 PHE 5 -5.231 5.107 1.889
39 HE2 PHE 5 HE2 PHE 5 -2.923 1.482 1.570
40 HZ PHE 5 HZ PHE 5 -3.047 3.962 1.902
41 H ARG 6 H ARG 6 -7.065 1.489 -1.634
42 HA ARG 6 HA ARG 6 -6.863 -1.130 -2.937
43 HB2 ARG 6 HB2 ARG 6 -7.047 1.451 -3.814
44 HB3 ARG 6 HB3 ARG 6 -5.310 1.171 -3.983
45 HG2 ARG 6 HG3 ARG 6 -7.467 -0.581 -5.226
46 HG3 ARG 6 HG2 ARG 6 -6.657 0.757 -6.056
47 HD2 ARG 6 HD3 ARG 6 -4.477 -0.417 -5.807
48 HD3 ARG 6 HD2 ARG 6 -5.315 -1.771 -5.020
49 HE ARG 6 HE ARG 6 -5.374 -1.072 -7.898
50 HH11 ARG 6 HH11 ARG 6 -7.294 -4.372 -6.532
51 HH12 ARG 6 HH12 ARG 6 -6.711 -3.226 -5.347
52 HH21 ARG 6 HH21 ARG 6 -6.983 -4.017 -8.720
53 HH22 ARG 6 HH22 ARG 6 -6.151 -2.590 -9.296
54 H GLY 7 H GLY 7 -4.308 1.275 -2.241
55 HA2 GLY 7 HA3 GLY 7 -2.760 0.006 -0.336
56 HA3 GLY 7 HA2 GLY 7 -2.261 -0.762 -1.851
57 H ILE 8 H ILE 8 -2.992 2.588 -0.802
58 HA ILE 8 HA ILE 8 -0.854 3.768 -2.377
59 HB ILE 8 HB ILE 8 -2.661 4.911 -0.227
60 HG12 ILE 8 HG13 ILE 8 -3.616 6.015 -2.524
61 HG13 ILE 8 HG12 ILE 8 -3.115 4.429 -3.119
62 HG21 ILE 8 HG21 ILE 8 -0.623 6.282 -0.571
63 HG22 ILE 8 HG22 ILE 8 -2.121 7.131 -1.023
64 HG23 ILE 8 HG23 ILE 8 -1.060 6.463 -2.287
65 HD11 ILE 8 HD11 ILE 8 -5.491 4.426 -2.496
66 HD12 ILE 8 HD12 ILE 8 -4.562 3.323 -1.453
67 HD13 ILE 8 HD13 ILE 8 -5.068 4.915 -0.838
68 H ASN 9 H ASN 9 -1.428 3.579 1.156
69 HA ASN 9 HA ASN 9 1.237 4.239 1.966
70 HB2 ASN 9 HB2 ASN 9 -0.988 4.440 3.209
71 HB3 ASN 9 HB3 ASN 9 -0.760 2.748 3.653
72 HD21 ASN 9 HD21 ASN 9 -1.032 4.089 5.845
73 HD22 ASN 9 HD22 ASN 9 0.480 4.556 6.591
74 H GLY 10 H GLY 10 -0.373 1.024 1.726
75 HA2 GLY 10 HA2 GLY 10 1.608 -0.639 2.801
76 HA3 GLY 10 HA3 GLY 10 0.512 -1.109 1.494
77 H HIS 11 H HIS 11 1.362 0.255 -0.692
78 HA HIS 11 HA HIS 11 3.828 -1.025 -1.471
79 HB2 HIS 11 HB3 HIS 11 1.979 1.016 -2.741
80 HB3 HIS 11 HB2 HIS 11 3.496 0.544 -3.520
81 HD1 HIS 11 HD1 HIS 11 0.067 -1.093 -2.481
82 HD2 HIS 11 HD2 HIS 11 3.564 -1.646 -4.889
83 HE1 HIS 11 HE1 HIS 11 -0.246 -3.095 -4.068
84 H ASN 12 H ASN 12 3.091 2.367 -0.441
85 HA ASN 12 HA ASN 12 5.569 3.554 -1.133
86 HB2 ASN 12 HB2 ASN 12 3.438 4.697 -0.517
87 HB3 ASN 12 HB3 ASN 12 3.760 4.319 1.180
88 HD21 ASN 12 HD21 ASN 12 5.895 7.112 1.669
89 HD22 ASN 12 HD22 ASN 12 5.074 5.737 2.371
90 H SER 13 H SER 13 4.865 1.558 1.761
91 HA SER 13 HA SER 13 7.617 2.056 2.743
92 HB2 SER 13 HB3 SER 13 5.053 1.518 4.134
93 HB3 SER 13 HB2 SER 13 6.499 0.753 4.831
94 HG SER 13 HG SER 13 6.147 2.891 5.641
95 H SER 14 H SER 14 5.478 -0.761 1.848
96 HA SER 14 HA SER 14 7.566 -2.623 2.559
97 HB2 SER 14 HB3 SER 14 5.216 -3.268 2.661
98 HB3 SER 14 HB2 SER 14 5.154 -3.255 0.886
99 HG SER 14 HG SER 14 5.598 -5.356 1.743
100 H SER 15 H SER 15 6.583 -1.320 -0.655
101 HA SER 15 HA SER 15 8.663 -2.733 -2.077
102 HB2 SER 15 HB3 SER 15 6.534 -1.733 -3.029
103 HB3 SER 15 HB2 SER 15 7.296 -0.135 -2.873
104 HG SER 15 HG SER 15 7.599 -1.064 -4.969
105 H SER 16 H SER 16 8.991 -0.011 0.113
106 HA SER 16 HA SER 16 11.277 1.192 -1.276
107 HB2 SER 16 HB2 SER 16 11.351 2.788 0.537
108 HB3 SER 16 HB3 SER 16 9.678 2.602 -0.022
109 HG SER 16 HG SER 16 9.851 2.618 2.276
110 H LEU 17 H LEU 17 13.333 0.611 -1.128
111 HA LEU 17 HA LEU 17 14.177 -1.586 0.600
112 HB2 LEU 17 HB2 LEU 17 15.425 0.140 -1.533
113 HB3 LEU 17 HB3 LEU 17 16.443 -0.924 -0.559
114 HG LEU 17 HG LEU 17 15.815 -1.806 -2.773
115 HD11 LEU 17 HD21 LEU 17 16.502 -3.290 -0.916
116 HD12 LEU 17 HD22 LEU 17 15.493 -4.079 -2.152
117 HD13 LEU 17 HD23 LEU 17 14.782 -3.613 -0.588
118 HD21 LEU 17 HD11 LEU 17 13.475 -1.019 -2.967
119 HD22 LEU 17 HD12 LEU 17 13.707 -2.739 -3.362
120 HD23 LEU 17 HD13 LEU 17 12.997 -2.272 -1.797
Start of MODEL 8
1 H1 ASN 1 H1 ASN 1 -11.117 9.540 -1.828
2 H2 ASN 1 H2 ASN 1 -12.352 8.621 -2.417
3 H3 ASN 1 H3 ASN 1 -11.164 7.922 -1.511
4 HA ASN 1 HA ASN 1 -13.188 9.838 -0.651
5 HB2 ASN 1 HB3 ASN 1 -13.831 7.463 -1.114
6 HB3 ASN 1 HB2 ASN 1 -12.803 6.983 0.241
7 HD21 ASN 1 HD21 ASN 1 -13.920 6.570 2.092
8 HD22 ASN 1 HD22 ASN 1 -15.402 7.366 2.573
9 H VAL 2 H VAL 2 -10.086 8.642 0.184
10 HA VAL 2 HA VAL 2 -8.516 9.175 1.663
11 HB VAL 2 HB VAL 2 -10.318 11.484 2.164
12 HG11 VAL 2 HG21 VAL 2 -9.080 11.188 4.301
13 HG12 VAL 2 HG22 VAL 2 -7.555 11.341 3.396
14 HG13 VAL 2 HG23 VAL 2 -8.701 12.702 3.447
15 HG21 VAL 2 HG11 VAL 2 -9.094 11.333 0.000
16 HG22 VAL 2 HG12 VAL 2 -7.563 11.426 0.902
17 HG23 VAL 2 HG13 VAL 2 -8.709 12.787 0.952
18 H HIS 3 H HIS 3 -11.638 9.050 3.158
19 HA HIS 3 HA HIS 3 -10.856 8.264 5.786
20 HB2 HIS 3 HB3 HIS 3 -13.053 9.307 4.878
21 HB3 HIS 3 HB2 HIS 3 -13.541 7.625 4.587
22 HD1 HIS 3 HD1 HIS 3 -15.414 7.623 6.591
23 HD2 HIS 3 HD2 HIS 3 -11.357 8.559 7.634
24 HE1 HIS 3 HE1 HIS 3 -15.114 7.602 9.149
25 H THR 4 H THR 4 -11.984 6.263 3.042
26 HA THR 4 HA THR 4 -11.559 3.755 4.461
27 HB THR 4 HB THR 4 -12.149 2.776 2.182
28 HG1 THR 4 HG1 THR 4 -11.649 4.679 0.958
29 HG21 THR 4 HG21 THR 4 -14.552 3.282 2.317
30 HG22 THR 4 HG22 THR 4 -14.206 4.607 3.456
31 HG23 THR 4 HG23 THR 4 -13.855 2.924 3.916
32 H PHE 5 H PHE 5 -10.218 4.794 1.280
33 HA PHE 5 HA PHE 5 -8.165 4.735 0.346
34 HB2 PHE 5 HB3 PHE 5 -7.495 5.871 2.532
35 HB3 PHE 5 HB2 PHE 5 -6.838 4.305 3.009
36 HD1 PHE 5 HD1 PHE 5 -6.409 7.192 0.752
37 HD2 PHE 5 HD2 PHE 5 -4.722 3.546 2.307
38 HE1 PHE 5 HE1 PHE 5 -4.150 7.954 0.077
39 HE2 PHE 5 HE2 PHE 5 -2.457 4.330 1.666
40 HZ PHE 5 HZ PHE 5 -2.176 6.559 0.569
41 H ARG 6 H ARG 6 -6.908 3.385 -0.732
42 HA ARG 6 HA ARG 6 -7.288 0.502 -0.334
43 HB2 ARG 6 HB2 ARG 6 -7.293 2.008 -2.535
44 HB3 ARG 6 HB3 ARG 6 -5.573 1.607 -2.525
45 HG2 ARG 6 HG3 ARG 6 -7.799 -0.467 -2.484
46 HG3 ARG 6 HG2 ARG 6 -7.029 0.134 -3.962
47 HD2 ARG 6 HD3 ARG 6 -4.830 -0.722 -3.145
48 HD3 ARG 6 HD2 ARG 6 -5.644 -1.381 -1.710
49 HE ARG 6 HE ARG 6 -6.995 -2.403 -3.985
50 HH11 ARG 6 HH11 ARG 6 -5.135 -5.289 -4.419
51 HH12 ARG 6 HH12 ARG 6 -6.624 -4.440 -4.765
52 HH21 ARG 6 HH21 ARG 6 -3.529 -4.353 -3.170
53 HH22 ARG 6 HH22 ARG 6 -3.730 -2.746 -2.509
54 H GLY 7 H GLY 7 -4.338 2.256 -1.232
55 HA2 GLY 7 HA3 GLY 7 -2.744 2.027 1.024
56 HA3 GLY 7 HA2 GLY 7 -2.577 0.455 0.222
57 H ILE 8 H ILE 8 -2.683 3.878 -0.853
58 HA ILE 8 HA ILE 8 -0.679 3.534 -2.918
59 HB ILE 8 HB ILE 8 -1.941 6.009 -1.704
60 HG12 ILE 8 HG13 ILE 8 -3.096 5.839 -4.163
61 HG13 ILE 8 HG12 ILE 8 -2.917 4.123 -3.778
62 HG21 ILE 8 HG21 ILE 8 0.181 6.519 -2.879
63 HG22 ILE 8 HG22 ILE 8 -0.498 5.814 -4.366
64 HG23 ILE 8 HG23 ILE 8 -1.241 7.263 -3.649
65 HD11 ILE 8 HD11 ILE 8 -5.138 4.947 -3.127
66 HD12 ILE 8 HD12 ILE 8 -4.209 4.434 -1.698
67 HD13 ILE 8 HD13 ILE 8 -4.389 6.166 -2.069
68 H ASN 9 H ASN 9 -0.689 5.417 0.131
69 HA ASN 9 HA ASN 9 2.114 5.919 0.266
70 HB2 ASN 9 HB2 ASN 9 0.154 7.102 1.388
71 HB3 ASN 9 HB3 ASN 9 0.257 5.863 2.637
72 HD21 ASN 9 HD21 ASN 9 0.475 8.150 3.812
73 HD22 ASN 9 HD22 ASN 9 2.126 8.659 4.087
74 H GLY 10 H GLY 10 0.182 3.378 1.940
75 HA2 GLY 10 HA2 GLY 10 2.178 2.177 3.511
76 HA3 GLY 10 HA3 GLY 10 0.796 1.317 2.814
77 H HIS 11 H HIS 11 1.313 1.219 0.133
78 HA HIS 11 HA HIS 11 3.387 -0.752 -0.162
79 HB2 HIS 11 HB3 HIS 11 1.541 0.750 -2.023
80 HB3 HIS 11 HB2 HIS 11 2.850 -0.237 -2.692
81 HD1 HIS 11 HD1 HIS 11 2.204 -2.845 -3.053
82 HD2 HIS 11 HD2 HIS 11 -0.154 -0.564 -0.311
83 HE1 HIS 11 HE1 HIS 11 0.162 -4.218 -2.270
84 H ASN 12 H ASN 12 3.343 2.786 -0.938
85 HA ASN 12 HA ASN 12 5.763 2.900 -2.413
86 HB2 ASN 12 HB3 ASN 12 3.988 4.659 -2.235
87 HB3 ASN 12 HB2 ASN 12 4.599 5.052 -0.623
88 HD21 ASN 12 HD21 ASN 12 6.610 6.395 -3.976
89 HD22 ASN 12 HD22 ASN 12 5.367 5.173 -4.120
90 H SER 13 H SER 13 5.382 2.718 1.138
91 HA SER 13 HA SER 13 8.297 3.098 1.519
92 HB2 SER 13 HB3 SER 13 6.350 4.253 2.940
93 HB3 SER 13 HB2 SER 13 6.502 2.754 3.886
94 HG SER 13 HG SER 13 7.936 4.416 4.617
95 H SER 14 H SER 14 5.751 0.639 2.405
96 HA SER 14 HA SER 14 7.725 -1.116 3.514
97 HB2 SER 14 HB3 SER 14 5.397 -1.178 4.240
98 HB3 SER 14 HB2 SER 14 4.965 -1.960 2.704
99 HG SER 14 HG SER 14 5.376 -3.486 4.393
100 H SER 15 H SER 15 6.220 -1.209 0.241
101 HA SER 15 HA SER 15 7.818 -3.459 -0.617
102 HB2 SER 15 HB3 SER 15 5.659 -2.628 -1.653
103 HB3 SER 15 HB2 SER 15 6.594 -1.295 -2.365
104 HG SER 15 HG SER 15 6.397 -3.104 -3.795
105 H SER 16 H SER 16 8.782 -0.113 -0.081
106 HA SER 16 HA SER 16 11.029 -0.201 -1.997
107 HB2 SER 16 HB3 SER 16 9.721 1.892 -1.654
108 HB3 SER 16 HB2 SER 16 10.234 1.917 0.047
109 HG SER 16 HG SER 16 11.570 3.235 -1.304
110 H LEU 17 H LEU 17 12.876 -1.182 -1.504
111 HA LEU 17 HA LEU 17 13.542 -2.044 1.206
112 HB2 LEU 17 HB2 LEU 17 14.757 -2.303 -1.540
113 HB3 LEU 17 HB3 LEU 17 15.677 -2.800 -0.118
114 HG LEU 17 HG LEU 17 14.564 -4.628 -1.324
115 HD11 LEU 17 HD21 LEU 17 15.180 -4.828 1.065
116 HD12 LEU 17 HD22 LEU 17 13.496 -4.445 1.494
117 HD13 LEU 17 HD23 LEU 17 13.863 -5.910 0.552
118 HD21 LEU 17 HD11 LEU 17 12.440 -3.548 -1.998
119 HD22 LEU 17 HD12 LEU 17 12.247 -5.155 -1.256
120 HD23 LEU 17 HD13 LEU 17 11.878 -3.689 -0.315
Start of MODEL 9
1 H1 ASN 1 H1 ASN 1 -8.394 7.561 -2.622
2 H2 ASN 1 H2 ASN 1 -9.567 7.341 -3.760
3 H3 ASN 1 H3 ASN 1 -9.764 6.725 -2.243
4 HA ASN 1 HA ASN 1 -9.668 9.567 -2.979
5 HB2 ASN 1 HB3 ASN 1 -11.716 8.093 -3.551
6 HB3 ASN 1 HB2 ASN 1 -11.992 8.004 -1.807
7 HD21 ASN 1 HD21 ASN 1 -13.797 11.025 -1.716
8 HD22 ASN 1 HD22 ASN 1 -13.408 9.489 -0.975
9 H VAL 2 H VAL 2 -10.187 11.055 -1.215
10 HA VAL 2 HA VAL 2 -8.593 10.643 1.094
11 HB VAL 2 HB VAL 2 -10.652 12.800 0.669
12 HG11 VAL 2 HG11 VAL 2 -9.925 12.643 3.052
13 HG12 VAL 2 HG12 VAL 2 -9.465 14.172 2.268
14 HG13 VAL 2 HG13 VAL 2 -8.245 12.901 2.524
15 HG21 VAL 2 HG21 VAL 2 -8.914 12.771 -1.125
16 HG22 VAL 2 HG22 VAL 2 -7.665 12.974 0.126
17 HG23 VAL 2 HG23 VAL 2 -8.884 14.245 -0.130
18 H HIS 3 H HIS 3 -12.164 10.338 0.850
19 HA HIS 3 HA HIS 3 -12.595 9.882 3.651
20 HB2 HIS 3 HB3 HIS 3 -14.222 10.577 1.716
21 HB3 HIS 3 HB2 HIS 3 -14.455 8.824 1.539
22 HD1 HIS 3 HD1 HIS 3 -17.022 8.937 2.533
23 HD2 HIS 3 HD2 HIS 3 -13.823 10.336 5.027
24 HE1 HIS 3 HE1 HIS 3 -17.845 9.262 4.950
25 H THR 4 H THR 4 -12.147 7.561 0.975
26 HA THR 4 HA THR 4 -12.406 5.249 2.759
27 HB THR 4 HB THR 4 -12.097 3.982 0.573
28 HG1 THR 4 HG1 THR 4 -12.501 6.533 -0.602
29 HG21 THR 4 HG21 THR 4 -14.362 4.408 -0.280
30 HG22 THR 4 HG22 THR 4 -14.463 5.874 0.726
31 HG23 THR 4 HG23 THR 4 -14.334 4.274 1.495
32 H PHE 5 H PHE 5 -9.968 5.802 0.197
33 HA PHE 5 HA PHE 5 -7.740 5.560 0.044
34 HB2 PHE 5 HB3 PHE 5 -7.632 5.795 3.046
35 HB3 PHE 5 HB2 PHE 5 -6.217 5.568 2.022
36 HD1 PHE 5 HD1 PHE 5 -5.949 7.235 -0.017
37 HD2 PHE 5 HD2 PHE 5 -7.847 8.036 3.766
38 HE1 PHE 5 HE1 PHE 5 -5.257 9.620 -0.179
39 HE2 PHE 5 HE2 PHE 5 -7.114 10.394 3.630
40 HZ PHE 5 HZ PHE 5 -5.811 11.191 1.664
41 H ARG 6 H ARG 6 -6.823 3.837 -0.720
42 HA ARG 6 HA ARG 6 -7.437 1.166 0.345
43 HB2 ARG 6 HB3 ARG 6 -7.137 2.247 -2.173
44 HB3 ARG 6 HB2 ARG 6 -5.577 1.452 -1.938
45 HG2 ARG 6 HG2 ARG 6 -6.863 -0.146 -3.054
46 HG3 ARG 6 HG3 ARG 6 -6.901 -0.671 -1.364
47 HD2 ARG 6 HD2 ARG 6 -9.173 0.279 -1.111
48 HD3 ARG 6 HD3 ARG 6 -9.133 0.849 -2.792
49 HE ARG 6 HE ARG 6 -9.448 -1.369 -3.557
50 HH11 ARG 6 HH11 ARG 6 -10.341 -4.170 -1.741
51 HH12 ARG 6 HH12 ARG 6 -10.207 -3.426 -3.319
52 HH21 ARG 6 HH21 ARG 6 -9.753 -3.064 0.113
53 HH22 ARG 6 HH22 ARG 6 -9.144 -1.427 0.027
54 H GLY 7 H GLY 7 -4.366 2.439 -0.926
55 HA2 GLY 7 HA3 GLY 7 -2.806 2.473 1.429
56 HA3 GLY 7 HA2 GLY 7 -2.667 0.840 0.747
57 H ILE 8 H ILE 8 -2.682 4.214 -0.471
58 HA ILE 8 HA ILE 8 -0.825 3.742 -2.629
59 HB ILE 8 HB ILE 8 -1.805 6.305 -1.344
60 HG12 ILE 8 HG13 ILE 8 -3.158 6.232 -3.699
61 HG13 ILE 8 HG12 ILE 8 -3.089 4.506 -3.323
62 HG21 ILE 8 HG21 ILE 8 0.254 6.639 -2.686
63 HG22 ILE 8 HG22 ILE 8 -0.596 5.992 -4.110
64 HG23 ILE 8 HG23 ILE 8 -1.159 7.498 -3.345
65 HD11 ILE 8 HD11 ILE 8 -5.182 5.503 -2.505
66 HD12 ILE 8 HD12 ILE 8 -4.190 4.914 -1.150
67 HD13 ILE 8 HD13 ILE 8 -4.258 6.655 -1.512
68 H ASN 9 H ASN 9 -0.493 5.623 0.394
69 HA ASN 9 HA ASN 9 2.344 5.928 0.327
70 HB2 ASN 9 HB2 ASN 9 0.538 7.265 1.545
71 HB3 ASN 9 HB3 ASN 9 0.655 6.051 2.818
72 HD21 ASN 9 HD21 ASN 9 1.101 8.343 3.911
73 HD22 ASN 9 HD22 ASN 9 2.796 8.754 4.053
74 H GLY 10 H GLY 10 0.357 3.556 2.175
75 HA2 GLY 10 HA2 GLY 10 2.341 2.269 3.677
76 HA3 GLY 10 HA3 GLY 10 0.889 1.475 3.051
77 H HIS 11 H HIS 11 1.282 1.255 0.379
78 HA HIS 11 HA HIS 11 3.289 -0.798 0.075
79 HB2 HIS 11 HB2 HIS 11 1.393 0.641 -1.793
80 HB3 HIS 11 HB3 HIS 11 2.584 -0.507 -2.422
81 HD1 HIS 11 HD1 HIS 11 -0.607 -0.473 -0.120
82 HD2 HIS 11 HD2 HIS 11 2.064 -3.048 -2.257
83 HE1 HIS 11 HE1 HIS 11 -1.547 -2.869 -0.203
84 H ASN 12 H ASN 12 3.221 2.694 -0.947
85 HA ASN 12 HA ASN 12 5.567 2.663 -2.534
86 HB2 ASN 12 HB2 ASN 12 3.859 4.479 -2.370
87 HB3 ASN 12 HB3 ASN 12 4.573 4.966 -0.827
88 HD21 ASN 12 HD21 ASN 12 7.085 6.957 -2.326
89 HD22 ASN 12 HD22 ASN 12 6.259 6.450 -0.869
90 H SER 13 H SER 13 5.338 2.820 1.009
91 HA SER 13 HA SER 13 8.219 3.221 1.417
92 HB2 SER 13 HB2 SER 13 7.521 3.343 3.801
93 HB3 SER 13 HB3 SER 13 6.539 4.415 2.785
94 HG SER 13 HG SER 13 5.025 3.409 3.950
95 H SER 14 H SER 14 5.818 0.641 2.363
96 HA SER 14 HA SER 14 7.902 -1.027 3.401
97 HB2 SER 14 HB3 SER 14 5.636 -1.123 4.283
98 HB3 SER 14 HB2 SER 14 5.114 -1.948 2.798
99 HG SER 14 HG SER 14 5.666 -3.426 4.489
100 H SER 15 H SER 15 6.224 -1.210 0.217
101 HA SER 15 HA SER 15 7.802 -3.471 -0.652
102 HB2 SER 15 HB3 SER 15 6.458 -1.377 -2.398
103 HB3 SER 15 HB2 SER 15 7.037 -2.973 -2.914
104 HG SER 15 HG SER 15 4.769 -2.948 -2.485
105 H SER 16 H SER 16 8.743 -0.075 -0.290
106 HA SER 16 HA SER 16 11.013 -0.369 -2.185
107 HB2 SER 16 HB3 SER 16 9.645 1.709 -2.260
108 HB3 SER 16 HB2 SER 16 10.096 2.051 -0.575
109 HG SER 16 HG SER 16 11.457 3.140 -2.096
110 H LEU 17 H LEU 17 12.560 -1.635 -1.300
111 HA LEU 17 HA LEU 17 13.232 -1.583 1.552
112 HB2 LEU 17 HB2 LEU 17 14.167 -3.069 -0.899
113 HB3 LEU 17 HB3 LEU 17 15.090 -3.178 0.603
114 HG LEU 17 HG LEU 17 13.565 -5.061 0.171
115 HD11 LEU 17 HD11 LEU 17 14.351 -4.493 2.447
116 HD12 LEU 17 HD12 LEU 17 12.807 -3.656 2.732
117 HD13 LEU 17 HD13 LEU 17 12.824 -5.406 2.403
118 HD21 LEU 17 HD21 LEU 17 11.613 -3.906 -0.820
119 HD22 LEU 17 HD22 LEU 17 11.191 -3.309 0.802
120 HD23 LEU 17 HD23 LEU 17 11.208 -5.059 0.474
Start of MODEL 10
1 H1 ASN 1 H1 ASN 1 -10.812 -6.164 3.048
2 H2 ASN 1 H2 ASN 1 -10.554 -6.298 4.671
3 H3 ASN 1 H3 ASN 1 -9.553 -7.068 3.610
4 HA ASN 1 HA ASN 1 -9.848 -4.196 4.039
5 HB2 ASN 1 HB3 ASN 1 -8.632 -5.754 5.679
6 HB3 ASN 1 HB2 ASN 1 -7.355 -5.825 4.461
7 HD21 ASN 1 HD21 ASN 1 -5.851 -4.128 4.327
8 HD22 ASN 1 HD22 ASN 1 -5.907 -2.723 5.368
9 H VAL 2 H VAL 2 -9.272 -6.262 1.518
10 HA VAL 2 HA VAL 2 -7.342 -4.635 0.047
11 HB VAL 2 HB VAL 2 -8.851 -7.092 -0.850
12 HG11 VAL 2 HG11 VAL 2 -8.104 -5.698 -2.779
13 HG12 VAL 2 HG12 VAL 2 -7.318 -7.293 -2.712
14 HG13 VAL 2 HG13 VAL 2 -6.430 -5.841 -2.195
15 HG21 VAL 2 HG21 VAL 2 -7.242 -7.568 0.998
16 HG22 VAL 2 HG22 VAL 2 -6.821 -8.372 -0.534
17 HG23 VAL 2 HG23 VAL 2 -5.932 -6.919 -0.017
18 H HIS 3 H HIS 3 -10.801 -5.511 -0.523
19 HA HIS 3 HA HIS 3 -11.285 -3.673 -2.626
20 HB2 HIS 3 HB3 HIS 3 -12.611 -5.741 -1.699
21 HB3 HIS 3 HB2 HIS 3 -13.463 -4.517 -0.736
22 HD1 HIS 3 HD1 HIS 3 -15.788 -4.820 -2.183
23 HD2 HIS 3 HD2 HIS 3 -12.231 -3.642 -4.280
24 HE1 HIS 3 HE1 HIS 3 -16.370 -4.009 -4.557
25 H THR 4 H THR 4 -11.834 -3.210 0.867
26 HA THR 4 HA THR 4 -12.971 -0.568 0.627
27 HB THR 4 HB THR 4 -12.628 -0.563 3.145
28 HG1 THR 4 HG1 THR 4 -11.896 -3.277 2.755
29 HG21 THR 4 HG21 THR 4 -14.379 -2.214 3.652
30 HG22 THR 4 HG22 THR 4 -14.214 -2.889 2.014
31 HG23 THR 4 HG23 THR 4 -14.792 -1.220 2.235
32 H PHE 5 H PHE 5 -9.894 -1.525 2.242
33 HA PHE 5 HA PHE 5 -8.795 1.184 1.846
34 HB2 PHE 5 HB3 PHE 5 -7.754 -1.251 3.343
35 HB3 PHE 5 HB2 PHE 5 -6.854 0.260 3.184
36 HD1 PHE 5 HD1 PHE 5 -9.750 -1.389 4.815
37 HD2 PHE 5 HD2 PHE 5 -7.537 2.291 4.405
38 HE1 PHE 5 HE1 PHE 5 -10.914 -0.461 6.794
39 HE2 PHE 5 HE2 PHE 5 -8.699 3.209 6.393
40 HZ PHE 5 HZ PHE 5 -10.393 1.833 7.583
41 H ARG 6 H ARG 6 -7.409 1.776 0.328
42 HA ARG 6 HA ARG 6 -6.522 -0.105 -1.736
43 HB2 ARG 6 HB3 ARG 6 -7.343 2.510 -1.711
44 HB3 ARG 6 HB2 ARG 6 -5.590 2.709 -1.770
45 HG2 ARG 6 HG2 ARG 6 -6.070 2.765 -3.997
46 HG3 ARG 6 HG3 ARG 6 -5.736 1.041 -3.799
47 HD2 ARG 6 HD3 ARG 6 -8.560 2.159 -3.735
48 HD3 ARG 6 HD2 ARG 6 -7.747 1.712 -5.248
49 HE ARG 6 HE ARG 6 -7.554 -0.518 -3.520
50 HH11 ARG 6 HH11 ARG 6 -8.900 -2.264 -3.695
51 HH12 ARG 6 HH12 ARG 6 -10.477 -2.124 -4.438
52 HH21 ARG 6 HH21 ARG 6 -10.206 1.261 -5.176
53 HH22 ARG 6 HH22 ARG 6 -11.202 -0.174 -5.260
54 H GLY 7 H GLY 7 -4.709 2.495 -0.105
55 HA2 GLY 7 HA3 GLY 7 -2.743 2.177 1.279
56 HA3 GLY 7 HA2 GLY 7 -2.438 0.638 0.453
57 H ILE 8 H ILE 8 -2.788 4.115 -0.362
58 HA ILE 8 HA ILE 8 -0.988 4.021 -2.630
59 HB ILE 8 HB ILE 8 -2.133 6.347 -1.061
60 HG12 ILE 8 HG13 ILE 8 -3.549 6.405 -3.377
61 HG13 ILE 8 HG12 ILE 8 -3.317 4.662 -3.201
62 HG21 ILE 8 HG21 ILE 8 -0.150 6.994 -2.403
63 HG22 ILE 8 HG22 ILE 8 -1.649 7.790 -2.938
64 HG23 ILE 8 HG23 ILE 8 -0.985 6.425 -3.869
65 HD11 ILE 8 HD11 ILE 8 -5.462 5.369 -2.230
66 HD12 ILE 8 HD12 ILE 8 -4.380 4.725 -0.973
67 HD13 ILE 8 HD13 ILE 8 -4.612 6.483 -1.133
68 H ASN 9 H ASN 9 -0.712 5.602 0.568
69 HA ASN 9 HA ASN 9 2.092 6.134 0.444
70 HB2 ASN 9 HB2 ASN 9 0.226 7.219 1.821
71 HB3 ASN 9 HB3 ASN 9 0.505 5.929 2.991
72 HD21 ASN 9 HD21 ASN 9 2.464 8.709 4.345
73 HD22 ASN 9 HD22 ASN 9 0.806 8.160 4.242
74 H GLY 10 H GLY 10 0.356 3.444 2.130
75 HA2 GLY 10 HA2 GLY 10 2.604 2.236 3.388
76 HA3 GLY 10 HA3 GLY 10 1.140 1.375 2.874
77 H HIS 11 H HIS 11 1.177 1.180 0.165
78 HA HIS 11 HA HIS 11 3.245 -0.613 -0.514
79 HB2 HIS 11 HB2 HIS 11 1.322 1.039 -2.144
80 HB3 HIS 11 HB3 HIS 11 2.535 0.026 -2.946
81 HD1 HIS 11 HD1 HIS 11 -0.575 -0.395 -0.546
82 HD2 HIS 11 HD2 HIS 11 2.079 -2.515 -3.149
83 HE1 HIS 11 HE1 HIS 11 -1.401 -2.809 -0.896
84 H ASN 12 H ASN 12 3.306 3.013 -0.860
85 HA ASN 12 HA ASN 12 5.749 2.890 -2.414
86 HB2 ASN 12 HB3 ASN 12 4.222 4.847 -2.465
87 HB3 ASN 12 HB2 ASN 12 4.789 5.280 -0.844
88 HD21 ASN 12 HD21 ASN 12 7.141 6.071 -4.142
89 HD22 ASN 12 HD22 ASN 12 5.710 5.077 -4.284
90 H SER 13 H SER 13 5.077 2.973 1.067
91 HA SER 13 HA SER 13 7.724 3.102 2.141
92 HB2 SER 13 HB3 SER 13 5.345 3.302 3.258
93 HB3 SER 13 HB2 SER 13 5.516 1.549 3.498
94 HG SER 13 HG SER 13 6.355 2.775 5.273
95 H SER 14 H SER 14 6.088 0.781 0.534
96 HA SER 14 HA SER 14 6.515 -1.024 -0.723
97 HB2 SER 14 HB3 SER 14 8.854 -0.604 -0.413
98 HB3 SER 14 HB2 SER 14 8.806 -1.482 1.121
99 HG SER 14 HG SER 14 9.599 -2.766 -0.607
100 H SER 15 H SER 15 4.707 -0.547 0.942
101 HA SER 15 HA SER 15 3.064 -1.185 2.217
102 HB2 SER 15 HB2 SER 15 2.650 -2.372 0.365
103 HB3 SER 15 HB3 SER 15 3.921 -3.566 0.684
104 HG SER 15 HG SER 15 1.808 -4.400 1.052
105 H SER 16 H SER 16 5.384 -0.384 3.332
106 HA SER 16 HA SER 16 5.960 -2.055 5.710
107 HB2 SER 16 HB3 SER 16 7.252 0.344 4.376
108 HB3 SER 16 HB2 SER 16 7.683 -0.108 6.040
109 HG SER 16 HG SER 16 9.048 -1.114 4.465
110 H LEU 17 H LEU 17 4.631 -1.853 7.394
111 HA LEU 17 HA LEU 17 2.963 0.496 7.861
112 HB2 LEU 17 HB2 LEU 17 3.419 -2.169 9.194
113 HB3 LEU 17 HB3 LEU 17 2.441 -0.936 9.992
114 HG LEU 17 HG LEU 17 1.157 -2.660 8.816
115 HD11 LEU 17 HD21 LEU 17 0.211 -0.416 9.259
116 HD12 LEU 17 HD22 LEU 17 -0.546 -1.277 7.898
117 HD13 LEU 17 HD23 LEU 17 0.609 0.041 7.585
118 HD21 LEU 17 HD11 LEU 17 2.578 -3.066 6.831
119 HD22 LEU 17 HD12 LEU 17 0.851 -2.842 6.465
120 HD23 LEU 17 HD13 LEU 17 2.006 -1.524 6.152
Start of MODEL 11
1 H1 ASN 1 H1 ASN 1 -9.000 7.304 -2.721
2 H2 ASN 1 H2 ASN 1 -10.315 7.026 -3.678
3 H3 ASN 1 H3 ASN 1 -10.358 6.621 -2.079
4 HA ASN 1 HA ASN 1 -10.200 9.330 -3.202
5 HB2 ASN 1 HB3 ASN 1 -12.374 7.985 -3.357
6 HB3 ASN 1 HB2 ASN 1 -12.434 8.047 -1.593
7 HD21 ASN 1 HD21 ASN 1 -12.548 10.089 -4.550
8 HD22 ASN 1 HD22 ASN 1 -13.424 11.406 -3.802
9 H VAL 2 H VAL 2 -10.449 11.077 -1.581
10 HA VAL 2 HA VAL 2 -8.558 10.896 0.512
11 HB VAL 2 HB VAL 2 -10.653 13.031 0.154
12 HG11 VAL 2 HG21 VAL 2 -9.581 13.124 2.407
13 HG12 VAL 2 HG22 VAL 2 -7.998 13.287 1.611
14 HG13 VAL 2 HG23 VAL 2 -9.236 14.548 1.395
15 HG21 VAL 2 HG11 VAL 2 -9.200 12.769 -1.861
16 HG22 VAL 2 HG12 VAL 2 -7.779 13.084 -0.837
17 HG23 VAL 2 HG13 VAL 2 -9.017 14.344 -1.053
18 H HIS 3 H HIS 3 -12.123 10.627 0.827
19 HA HIS 3 HA HIS 3 -12.130 10.477 3.699
20 HB2 HIS 3 HB3 HIS 3 -14.024 11.021 1.966
21 HB3 HIS 3 HB2 HIS 3 -14.302 9.267 2.007
22 HD1 HIS 3 HD1 HIS 3 -16.691 9.560 3.353
23 HD2 HIS 3 HD2 HIS 3 -13.128 11.092 5.192
24 HE1 HIS 3 HE1 HIS 3 -17.133 10.146 5.822
25 H THR 4 H THR 4 -12.117 7.900 1.228
26 HA THR 4 HA THR 4 -12.139 5.774 3.244
27 HB THR 4 HB THR 4 -12.174 4.299 1.171
28 HG1 THR 4 HG1 THR 4 -12.705 6.739 -0.177
29 HG21 THR 4 HG21 THR 4 -14.533 4.709 0.615
30 HG22 THR 4 HG22 THR 4 -14.248 4.740 2.371
31 HG23 THR 4 HG23 THR 4 -14.464 6.265 1.478
32 H PHE 5 H PHE 5 -10.099 5.994 0.311
33 HA PHE 5 HA PHE 5 -7.924 5.667 -0.137
34 HB2 PHE 5 HB3 PHE 5 -7.376 6.238 2.770
35 HB3 PHE 5 HB2 PHE 5 -6.125 5.854 1.590
36 HD1 PHE 5 HD1 PHE 5 -6.196 7.277 -0.672
37 HD2 PHE 5 HD2 PHE 5 -7.422 8.547 3.259
38 HE1 PHE 5 HE1 PHE 5 -5.495 9.603 -1.208
39 HE2 PHE 5 HE2 PHE 5 -6.687 10.849 2.740
40 HZ PHE 5 HZ PHE 5 -5.711 11.383 0.512
41 H ARG 6 H ARG 6 -7.077 3.850 -0.806
42 HA ARG 6 HA ARG 6 -7.675 1.317 0.514
43 HB2 ARG 6 HB2 ARG 6 -7.361 2.222 -2.074
44 HB3 ARG 6 HB3 ARG 6 -5.868 1.311 -1.822
45 HG2 ARG 6 HG3 ARG 6 -8.666 0.192 -1.410
46 HG3 ARG 6 HG2 ARG 6 -7.723 0.025 -2.899
47 HD2 ARG 6 HD3 ARG 6 -5.985 -1.245 -1.649
48 HD3 ARG 6 HD2 ARG 6 -6.965 -1.109 -0.177
49 HE ARG 6 HE ARG 6 -7.502 -2.840 -2.519
50 HH11 ARG 6 HH11 ARG 6 -8.764 -1.651 0.634
51 HH12 ARG 6 HH12 ARG 6 -9.921 -2.959 0.732
52 HH21 ARG 6 HH21 ARG 6 -9.000 -4.441 -2.279
53 HH22 ARG 6 HH22 ARG 6 -10.051 -4.502 -0.881
54 H GLY 7 H GLY 7 -4.559 2.551 -0.747
55 HA2 GLY 7 HA3 GLY 7 -3.018 2.633 1.578
56 HA3 GLY 7 HA2 GLY 7 -2.932 0.945 1.033
57 H ILE 8 H ILE 8 -2.814 4.198 -0.478
58 HA ILE 8 HA ILE 8 -0.937 3.473 -2.547
59 HB ILE 8 HB ILE 8 -1.845 6.175 -1.517
60 HG12 ILE 8 HG13 ILE 8 -3.160 5.942 -3.881
61 HG13 ILE 8 HG12 ILE 8 -3.156 4.251 -3.361
62 HG21 ILE 8 HG21 ILE 8 0.251 6.310 -2.835
63 HG22 ILE 8 HG22 ILE 8 -0.595 5.567 -4.214
64 HG23 ILE 8 HG23 ILE 8 -1.115 7.156 -3.602
65 HD11 ILE 8 HD11 ILE 8 -5.228 5.384 -2.667
66 HD12 ILE 8 HD12 ILE 8 -4.278 4.878 -1.250
67 HD13 ILE 8 HD13 ILE 8 -4.281 6.584 -1.756
68 H ASN 9 H ASN 9 -0.575 5.652 0.267
69 HA ASN 9 HA ASN 9 2.221 5.956 0.275
70 HB2 ASN 9 HB2 ASN 9 0.363 7.219 1.487
71 HB3 ASN 9 HB3 ASN 9 0.516 6.008 2.759
72 HD21 ASN 9 HD21 ASN 9 2.546 8.784 4.017
73 HD22 ASN 9 HD22 ASN 9 0.869 8.309 3.862
74 H GLY 10 H GLY 10 0.320 3.504 2.091
75 HA2 GLY 10 HA2 GLY 10 2.351 2.285 3.605
76 HA3 GLY 10 HA3 GLY 10 0.921 1.447 2.983
77 H HIS 11 H HIS 11 1.329 1.301 0.286
78 HA HIS 11 HA HIS 11 3.364 -0.712 -0.055
79 HB2 HIS 11 HB2 HIS 11 1.461 0.750 -1.894
80 HB3 HIS 11 HB3 HIS 11 2.681 -0.347 -2.554
81 HD1 HIS 11 HD1 HIS 11 -0.524 -0.466 -0.271
82 HD2 HIS 11 HD2 HIS 11 2.215 -2.902 -2.486
83 HE1 HIS 11 HE1 HIS 11 -1.403 -2.881 -0.441
84 H ASN 12 H ASN 12 3.276 2.811 -0.970
85 HA ASN 12 HA ASN 12 5.638 2.845 -2.535
86 HB2 ASN 12 HB2 ASN 12 4.493 5.030 -0.788
87 HB3 ASN 12 HB3 ASN 12 5.844 5.269 -1.893
88 HD21 ASN 12 HD21 ASN 12 3.590 4.991 -4.842
89 HD22 ASN 12 HD22 ASN 12 5.052 4.203 -4.292
90 H SER 13 H SER 13 5.397 2.786 0.998
91 HA SER 13 HA SER 13 8.286 3.220 1.417
92 HB2 SER 13 HB2 SER 13 7.583 3.328 3.799
93 HB3 SER 13 HB3 SER 13 6.610 4.416 2.794
94 HG SER 13 HG SER 13 5.089 3.407 3.951
95 H SER 14 H SER 14 5.847 0.659 2.321
96 HA SER 14 HA SER 14 7.898 -1.053 3.349
97 HB2 SER 14 HB3 SER 14 5.612 -1.132 4.190
98 HB3 SER 14 HB2 SER 14 5.110 -1.934 2.686
99 HG SER 14 HG SER 14 5.614 -3.436 4.368
100 H SER 15 H SER 15 6.284 -1.139 0.135
101 HA SER 15 HA SER 15 7.808 -3.426 -0.756
102 HB2 SER 15 HB3 SER 15 6.571 -1.242 -2.471
103 HB3 SER 15 HB2 SER 15 7.114 -2.839 -3.022
104 HG SER 15 HG SER 15 4.839 -2.759 -2.639
105 H SER 16 H SER 16 8.854 -0.075 -0.286
106 HA SER 16 HA SER 16 11.163 -0.404 -2.129
107 HB2 SER 16 HB3 SER 16 10.181 2.003 -0.537
108 HB3 SER 16 HB2 SER 16 11.636 1.993 -1.558
109 HG SER 16 HG SER 16 9.772 2.793 -2.672
110 H LEU 17 H LEU 17 12.650 -1.724 -1.228
111 HA LEU 17 HA LEU 17 13.235 -1.759 1.642
112 HB2 LEU 17 HB2 LEU 17 14.205 -3.212 -0.812
113 HB3 LEU 17 HB3 LEU 17 15.075 -3.382 0.713
114 HG LEU 17 HG LEU 17 13.514 -5.210 0.189
115 HD11 LEU 17 HD11 LEU 17 14.240 -4.718 2.503
116 HD12 LEU 17 HD12 LEU 17 12.710 -3.843 2.756
117 HD13 LEU 17 HD13 LEU 17 12.690 -5.584 2.386
118 HD21 LEU 17 HD21 LEU 17 11.628 -3.978 -0.838
119 HD22 LEU 17 HD22 LEU 17 11.148 -5.148 0.414
120 HD23 LEU 17 HD23 LEU 17 11.168 -3.407 0.784
Start of MODEL 12
1 H1 ASN 1 H1 ASN 1 -7.292 -4.405 4.461
2 H2 ASN 1 H2 ASN 1 -8.460 -5.046 5.433
3 H3 ASN 1 H3 ASN 1 -8.757 -3.659 4.593
4 HA ASN 1 HA ASN 1 -8.320 -6.330 3.470
5 HB2 ASN 1 HB2 ASN 1 -10.509 -5.738 4.681
6 HB3 ASN 1 HB3 ASN 1 -10.839 -4.644 3.333
7 HD21 ASN 1 HD21 ASN 1 -12.114 -5.498 1.727
8 HD22 ASN 1 HD22 ASN 1 -12.273 -7.203 1.372
9 H VAL 2 H VAL 2 -8.639 -6.531 1.187
10 HA VAL 2 HA VAL 2 -7.219 -4.551 -0.331
11 HB VAL 2 HB VAL 2 -8.604 -7.038 -1.318
12 HG11 VAL 2 HG11 VAL 2 -8.136 -5.441 -3.179
13 HG12 VAL 2 HG12 VAL 2 -7.233 -6.968 -3.306
14 HG13 VAL 2 HG13 VAL 2 -6.411 -5.493 -2.745
15 HG21 VAL 2 HG21 VAL 2 -6.799 -7.523 0.338
16 HG22 VAL 2 HG22 VAL 2 -6.465 -8.164 -1.289
17 HG23 VAL 2 HG23 VAL 2 -5.643 -6.688 -0.728
18 H HIS 3 H HIS 3 -10.696 -5.506 -0.530
19 HA HIS 3 HA HIS 3 -11.399 -3.729 -2.628
20 HB2 HIS 3 HB3 HIS 3 -12.607 -5.796 -1.569
21 HB3 HIS 3 HB2 HIS 3 -13.398 -4.573 -0.553
22 HD1 HIS 3 HD1 HIS 3 -15.829 -4.902 -1.802
23 HD2 HIS 3 HD2 HIS 3 -12.463 -3.752 -4.204
24 HE1 HIS 3 HE1 HIS 3 -16.608 -4.136 -4.135
25 H THR 4 H THR 4 -11.693 -3.182 0.890
26 HA THR 4 HA THR 4 -12.819 -0.517 0.555
27 HB THR 4 HB THR 4 -12.599 -0.473 3.085
28 HG1 THR 4 HG1 THR 4 -12.218 -2.440 4.116
29 HG21 THR 4 HG21 THR 4 -14.451 -2.030 3.529
30 HG22 THR 4 HG22 THR 4 -14.235 -2.744 1.914
31 HG23 THR 4 HG23 THR 4 -14.741 -1.045 2.075
32 H PHE 5 H PHE 5 -9.860 -1.564 2.331
33 HA PHE 5 HA PHE 5 -8.652 1.088 2.106
34 HB2 PHE 5 HB3 PHE 5 -7.556 -1.523 3.218
35 HB3 PHE 5 HB2 PHE 5 -6.717 0.028 3.279
36 HD1 PHE 5 HD1 PHE 5 -7.030 1.446 5.177
37 HD2 PHE 5 HD2 PHE 5 -9.810 -1.755 4.418
38 HE1 PHE 5 HE1 PHE 5 -8.037 1.779 7.416
39 HE2 PHE 5 HE2 PHE 5 -10.834 -1.397 6.664
40 HZ PHE 5 HZ PHE 5 -9.929 0.365 8.158
41 H ARG 6 H ARG 6 -7.347 1.829 0.575
42 HA ARG 6 HA ARG 6 -6.511 0.109 -1.653
43 HB2 ARG 6 HB2 ARG 6 -7.491 2.609 -1.548
44 HB3 ARG 6 HB3 ARG 6 -5.769 3.001 -1.544
45 HG2 ARG 6 HG3 ARG 6 -7.136 1.309 -3.670
46 HG3 ARG 6 HG2 ARG 6 -6.873 3.055 -3.796
47 HD2 ARG 6 HD3 ARG 6 -4.403 2.665 -3.639
48 HD3 ARG 6 HD2 ARG 6 -4.712 0.918 -3.627
49 HE ARG 6 HE ARG 6 -4.962 2.753 -5.936
50 HH11 ARG 6 HH11 ARG 6 -5.599 -1.225 -6.385
51 HH12 ARG 6 HH12 ARG 6 -5.489 -0.602 -4.754
52 HH21 ARG 6 HH21 ARG 6 -5.393 0.135 -8.150
53 HH22 ARG 6 HH22 ARG 6 -5.116 1.850 -7.942
54 H GLY 7 H GLY 7 -4.713 2.632 0.112
55 HA2 GLY 7 HA3 GLY 7 -2.680 2.372 1.342
56 HA3 GLY 7 HA2 GLY 7 -2.412 0.805 0.555
57 H ILE 8 H ILE 8 -2.758 4.267 -0.352
58 HA ILE 8 HA ILE 8 -1.040 4.073 -2.679
59 HB ILE 8 HB ILE 8 -2.081 6.474 -1.149
60 HG12 ILE 8 HG13 ILE 8 -3.570 6.482 -3.424
61 HG13 ILE 8 HG12 ILE 8 -3.374 4.741 -3.185
62 HG21 ILE 8 HG21 ILE 8 -0.131 7.029 -2.576
63 HG22 ILE 8 HG22 ILE 8 -1.628 7.839 -3.091
64 HG23 ILE 8 HG23 ILE 8 -1.024 6.429 -3.994
65 HD11 ILE 8 HD11 ILE 8 -5.467 5.540 -2.176
66 HD12 ILE 8 HD12 ILE 8 -4.359 4.920 -0.929
67 HD13 ILE 8 HD13 ILE 8 -4.554 6.675 -1.152
68 H ASN 9 H ASN 9 -0.621 5.781 0.436
69 HA ASN 9 HA ASN 9 2.231 6.109 0.195
70 HB2 ASN 9 HB2 ASN 9 0.489 7.517 1.445
71 HB3 ASN 9 HB3 ASN 9 0.669 6.352 2.756
72 HD21 ASN 9 HD21 ASN 9 1.191 8.687 3.726
73 HD22 ASN 9 HD22 ASN 9 2.894 9.084 3.761
74 H GLY 10 H GLY 10 0.260 3.826 2.155
75 HA2 GLY 10 HA2 GLY 10 2.243 2.552 3.663
76 HA3 GLY 10 HA3 GLY 10 0.776 1.759 3.071
77 H HIS 11 H HIS 11 1.134 1.429 0.410
78 HA HIS 11 HA HIS 11 3.113 -0.650 0.158
79 HB2 HIS 11 HB2 HIS 11 1.274 0.787 -1.774
80 HB3 HIS 11 HB3 HIS 11 2.420 -0.436 -2.339
81 HD1 HIS 11 HD1 HIS 11 -0.785 -0.169 -0.075
82 HD2 HIS 11 HD2 HIS 11 1.773 -2.941 -2.099
83 HE1 HIS 11 HE1 HIS 11 -1.870 -2.503 -0.134
84 H ASN 12 H ASN 12 3.116 2.812 -0.920
85 HA ASN 12 HA ASN 12 5.434 2.734 -2.541
86 HB2 ASN 12 HB3 ASN 12 3.745 4.565 -2.396
87 HB3 ASN 12 HB2 ASN 12 4.459 5.054 -0.855
88 HD21 ASN 12 HD21 ASN 12 5.043 4.875 -4.387
89 HD22 ASN 12 HD22 ASN 12 6.320 6.070 -4.404
90 H SER 13 H SER 13 5.330 2.850 1.036
91 HA SER 13 HA SER 13 8.283 3.068 1.111
92 HB2 SER 13 HB3 SER 13 6.128 3.882 3.022
93 HB3 SER 13 HB2 SER 13 7.707 3.404 3.688
94 HG SER 13 HG SER 13 7.603 5.659 3.180
95 H SER 14 H SER 14 5.658 0.882 2.425
96 HA SER 14 HA SER 14 7.609 -0.813 3.675
97 HB2 SER 14 HB3 SER 14 5.322 -0.675 4.505
98 HB3 SER 14 HB2 SER 14 4.772 -1.594 3.087
99 HG SER 14 HG SER 14 5.188 -2.947 4.916
100 H SER 15 H SER 15 5.921 -1.255 0.508
101 HA SER 15 HA SER 15 7.409 -3.657 -0.113
102 HB2 SER 15 HB3 SER 15 6.065 -1.700 -2.017
103 HB3 SER 15 HB2 SER 15 6.615 -3.340 -2.418
104 HG SER 15 HG SER 15 4.361 -3.256 -1.925
105 H SER 16 H SER 16 8.514 -0.333 -0.068
106 HA SER 16 HA SER 16 10.622 -0.720 -2.095
107 HB2 SER 16 HB3 SER 16 9.406 1.447 -1.878
108 HB3 SER 16 HB2 SER 16 10.048 1.623 -0.230
109 HG SER 16 HG SER 16 11.320 2.743 -1.804
110 H LEU 17 H LEU 17 12.477 -1.700 -1.630
111 HA LEU 17 HA LEU 17 13.270 -2.361 1.077
112 HB2 LEU 17 HB2 LEU 17 14.349 -2.875 -1.671
113 HB3 LEU 17 HB3 LEU 17 15.326 -3.275 -0.257
114 HG LEU 17 HG LEU 17 14.091 -5.157 -1.249
115 HD11 LEU 17 HD11 LEU 17 14.867 -5.173 1.100
116 HD12 LEU 17 HD12 LEU 17 13.496 -6.259 0.769
117 HD13 LEU 17 HD13 LEU 17 13.225 -4.711 1.606
118 HD21 LEU 17 HD21 LEU 17 11.951 -4.080 -1.871
119 HD22 LEU 17 HD22 LEU 17 11.773 -5.613 -0.984
120 HD23 LEU 17 HD23 LEU 17 11.502 -4.065 -0.149
Start of MODEL 13
1 H1 ASN 1 H1 ASN 1 -10.661 6.921 -3.185
2 H2 ASN 1 H2 ASN 1 -12.204 6.407 -2.911
3 H3 ASN 1 H3 ASN 1 -10.950 5.735 -2.076
4 HA ASN 1 HA ASN 1 -11.910 8.498 -1.882
5 HB2 ASN 1 HB3 ASN 1 -13.240 6.519 -0.876
6 HB3 ASN 1 HB2 ASN 1 -11.914 6.390 0.286
7 HD21 ASN 1 HD21 ASN 1 -13.324 8.791 2.442
8 HD22 ASN 1 HD22 ASN 1 -12.295 7.394 2.222
9 H VAL 2 H VAL 2 -10.941 9.792 -0.239
10 HA VAL 2 HA VAL 2 -8.037 9.522 -0.160
11 HB VAL 2 HB VAL 2 -9.765 11.794 0.811
12 HG11 VAL 2 HG11 VAL 2 -7.528 11.796 1.921
13 HG12 VAL 2 HG12 VAL 2 -7.806 13.209 0.874
14 HG13 VAL 2 HG13 VAL 2 -6.768 11.876 0.314
15 HG21 VAL 2 HG21 VAL 2 -9.884 11.468 -1.663
16 HG22 VAL 2 HG22 VAL 2 -8.119 11.686 -1.742
17 HG23 VAL 2 HG23 VAL 2 -9.156 13.020 -1.183
18 H HIS 3 H HIS 3 -10.531 9.831 2.451
19 HA HIS 3 HA HIS 3 -8.686 9.543 4.599
20 HB2 HIS 3 HB3 HIS 3 -11.116 10.473 4.514
21 HB3 HIS 3 HB2 HIS 3 -11.581 8.800 4.885
22 HD1 HIS 3 HD1 HIS 3 -9.299 11.621 6.407
23 HD2 HIS 3 HD2 HIS 3 -11.434 8.029 7.382
24 HE1 HIS 3 HE1 HIS 3 -9.236 11.196 8.948
25 H THR 4 H THR 4 -10.806 7.030 3.182
26 HA THR 4 HA THR 4 -9.708 4.920 4.851
27 HB THR 4 HB THR 4 -11.103 3.439 3.320
28 HG1 THR 4 HG1 THR 4 -11.255 4.955 1.575
29 HG21 THR 4 HG21 THR 4 -13.270 4.083 4.288
30 HG22 THR 4 HG22 THR 4 -11.968 4.093 5.501
31 HG23 THR 4 HG23 THR 4 -12.567 5.627 4.827
32 H PHE 5 H PHE 5 -9.756 5.171 1.261
33 HA PHE 5 HA PHE 5 -8.346 4.595 -0.360
34 HB2 PHE 5 HB3 PHE 5 -6.187 5.354 -0.403
35 HB3 PHE 5 HB2 PHE 5 -7.060 6.407 0.699
36 HD1 PHE 5 HD1 PHE 5 -6.195 6.794 2.925
37 HD2 PHE 5 HD2 PHE 5 -4.560 3.638 0.498
38 HE1 PHE 5 HE1 PHE 5 -4.299 6.569 4.490
39 HE2 PHE 5 HE2 PHE 5 -2.651 3.412 2.085
40 HZ PHE 5 HZ PHE 5 -2.524 4.886 4.075
41 H ARG 6 H ARG 6 -6.868 3.121 -1.382
42 HA ARG 6 HA ARG 6 -7.228 0.395 -0.426
43 HB2 ARG 6 HB3 ARG 6 -7.025 1.640 -2.870
44 HB3 ARG 6 HB2 ARG 6 -5.423 0.912 -2.715
45 HG2 ARG 6 HG2 ARG 6 -6.650 -0.679 -3.905
46 HG3 ARG 6 HG3 ARG 6 -6.632 -1.308 -2.250
47 HD2 ARG 6 HD2 ARG 6 -8.946 -0.475 -1.909
48 HD3 ARG 6 HD3 ARG 6 -8.960 0.170 -3.565
49 HE ARG 6 HE ARG 6 -8.289 -2.600 -3.689
50 HH11 ARG 6 HH11 ARG 6 -9.770 -4.133 -4.276
51 HH12 ARG 6 HH12 ARG 6 -11.489 -3.833 -4.150
52 HH21 ARG 6 HH21 ARG 6 -11.174 -0.604 -2.901
53 HH22 ARG 6 HH22 ARG 6 -12.270 -1.878 -3.389
54 H GLY 7 H GLY 7 -4.220 1.863 -1.655
55 HA2 GLY 7 HA3 GLY 7 -2.674 1.696 0.739
56 HA3 GLY 7 HA2 GLY 7 -2.434 0.205 -0.186
57 H ILE 8 H ILE 8 -2.670 3.687 -1.022
58 HA ILE 8 HA ILE 8 -0.574 3.569 -3.025
59 HB ILE 8 HB ILE 8 -2.002 5.903 -1.720
60 HG12 ILE 8 HG13 ILE 8 -3.056 5.859 -4.215
61 HG13 ILE 8 HG12 ILE 8 -2.785 4.129 -3.974
62 HG21 ILE 8 HG21 ILE 8 0.142 6.582 -2.767
63 HG22 ILE 8 HG22 ILE 8 -0.441 5.942 -4.323
64 HG23 ILE 8 HG23 ILE 8 -1.281 7.309 -3.551
65 HD11 ILE 8 HD11 ILE 8 -5.078 4.759 -3.352
66 HD12 ILE 8 HD12 ILE 8 -4.175 4.176 -1.933
67 HD13 ILE 8 HD13 ILE 8 -4.448 5.921 -2.160
68 H ASN 9 H ASN 9 -0.805 5.265 0.120
69 HA ASN 9 HA ASN 9 1.952 5.909 0.413
70 HB2 ASN 9 HB2 ASN 9 -0.147 6.890 1.502
71 HB3 ASN 9 HB3 ASN 9 0.010 5.602 2.695
72 HD21 ASN 9 HD21 ASN 9 0.008 7.828 3.988
73 HD22 ASN 9 HD22 ASN 9 1.601 8.452 4.350
74 H GLY 10 H GLY 10 0.115 3.153 1.841
75 HA2 GLY 10 HA2 GLY 10 2.121 2.016 3.454
76 HA3 GLY 10 HA3 GLY 10 0.833 1.102 2.658
77 H HIS 11 H HIS 11 1.493 1.181 -0.013
78 HA HIS 11 HA HIS 11 3.731 -0.624 -0.256
79 HB2 HIS 11 HB2 HIS 11 1.886 0.797 -2.184
80 HB3 HIS 11 HB3 HIS 11 3.281 -0.106 -2.793
81 HD1 HIS 11 HD1 HIS 11 -0.055 -0.779 -0.795
82 HD2 HIS 11 HD2 HIS 11 3.072 -2.679 -3.018
83 HE1 HIS 11 HE1 HIS 11 -0.623 -3.257 -1.206
84 H ASN 12 H ASN 12 3.410 2.930 -0.887
85 HA ASN 12 HA ASN 12 5.831 3.371 -2.255
86 HB2 ASN 12 HB3 ASN 12 3.927 4.962 -1.951
87 HB3 ASN 12 HB2 ASN 12 4.501 5.267 -0.306
88 HD21 ASN 12 HD21 ASN 12 6.418 7.028 -3.518
89 HD22 ASN 12 HD22 ASN 12 5.278 5.726 -3.774
90 H SER 13 H SER 13 5.489 2.850 1.270
91 HA SER 13 HA SER 13 8.428 3.193 1.533
92 HB2 SER 13 HB3 SER 13 6.214 4.121 3.248
93 HB3 SER 13 HB2 SER 13 7.574 3.377 4.120
94 HG SER 13 HG SER 13 7.889 5.639 3.747
95 H SER 14 H SER 14 5.743 0.924 2.459
96 HA SER 14 HA SER 14 7.608 -0.816 3.818
97 HB2 SER 14 HB3 SER 14 5.291 -0.697 4.526
98 HB3 SER 14 HB2 SER 14 4.788 -1.470 3.009
99 HG SER 14 HG SER 14 5.038 -2.984 4.738
100 H SER 15 H SER 15 6.085 -1.095 0.554
101 HA SER 15 HA SER 15 7.600 -3.472 -0.104
102 HB2 SER 15 HB3 SER 15 6.266 -1.461 -1.955
103 HB3 SER 15 HB2 SER 15 6.835 -3.081 -2.406
104 HG SER 15 HG SER 15 4.572 -3.034 -1.945
105 H SER 16 H SER 16 8.749 -0.189 0.175
106 HA SER 16 HA SER 16 10.714 -0.374 -1.991
107 HB2 SER 16 HB2 SER 16 11.441 1.832 -1.325
108 HB3 SER 16 HB3 SER 16 9.671 1.791 -1.412
109 HG SER 16 HG SER 16 10.442 2.870 0.474
110 H LEU 17 H LEU 17 12.669 -1.246 -1.915
111 HA LEU 17 HA LEU 17 13.664 -2.505 0.495
112 HB2 LEU 17 HB2 LEU 17 14.545 -2.305 -2.361
113 HB3 LEU 17 HB3 LEU 17 15.646 -2.977 -1.157
114 HG LEU 17 HG LEU 17 14.380 -4.626 -2.486
115 HD11 LEU 17 HD21 LEU 17 15.369 -5.177 -0.283
116 HD12 LEU 17 HD22 LEU 17 13.770 -4.921 0.455
117 HD13 LEU 17 HD23 LEU 17 13.996 -6.210 -0.750
118 HD21 LEU 17 HD11 LEU 17 12.164 -3.533 -2.640
119 HD22 LEU 17 HD12 LEU 17 12.108 -5.240 -2.141
120 HD23 LEU 17 HD13 LEU 17 11.880 -3.952 -0.934
Start of MODEL 14
1 H1 ASN 1 H1 ASN 1 -4.360 3.109 5.862
2 H2 ASN 1 H2 ASN 1 -4.905 4.418 6.706
3 H3 ASN 1 H3 ASN 1 -5.371 4.194 5.140
4 HA ASN 1 HA ASN 1 -6.069 2.512 7.440
5 HB2 ASN 1 HB3 ASN 1 -7.104 4.860 7.095
6 HB3 ASN 1 HB2 ASN 1 -7.934 4.153 5.703
7 HD21 ASN 1 HD21 ASN 1 -9.229 3.301 9.536
8 HD22 ASN 1 HD22 ASN 1 -7.680 4.070 9.273
9 H VAL 2 H VAL 2 -7.767 0.894 6.972
10 HA VAL 2 HA VAL 2 -7.232 -0.483 4.407
11 HB VAL 2 HB VAL 2 -8.347 -1.641 6.960
12 HG11 VAL 2 HG11 VAL 2 -9.161 -2.882 4.953
13 HG12 VAL 2 HG12 VAL 2 -7.469 -3.183 4.491
14 HG13 VAL 2 HG13 VAL 2 -8.110 -3.855 6.009
15 HG21 VAL 2 HG21 VAL 2 -5.925 -1.061 7.124
16 HG22 VAL 2 HG22 VAL 2 -6.247 -2.806 7.260
17 HG23 VAL 2 HG23 VAL 2 -5.605 -2.136 5.742
18 H HIS 3 H HIS 3 -10.152 0.206 6.448
19 HA HIS 3 HA HIS 3 -12.032 -0.615 4.478
20 HB2 HIS 3 HB3 HIS 3 -12.265 -0.249 7.044
21 HB3 HIS 3 HB2 HIS 3 -12.727 1.405 6.592
22 HD1 HIS 3 HD1 HIS 3 -13.866 -2.279 5.801
23 HD2 HIS 3 HD2 HIS 3 -15.198 1.800 5.837
24 HE1 HIS 3 HE1 HIS 3 -16.383 -2.150 5.272
25 H THR 4 H THR 4 -10.932 2.702 5.223
26 HA THR 4 HA THR 4 -12.457 3.861 3.017
27 HB THR 4 HB THR 4 -11.270 5.985 3.768
28 HG1 THR 4 HG1 THR 4 -9.552 4.928 4.908
29 HG21 THR 4 HG21 THR 4 -12.630 6.315 5.789
30 HG22 THR 4 HG22 THR 4 -13.562 5.562 4.473
31 HG23 THR 4 HG23 THR 4 -12.982 4.571 5.834
32 H PHE 5 H PHE 5 -8.939 4.061 3.791
33 HA PHE 5 HA PHE 5 -8.212 4.631 1.035
34 HB2 PHE 5 HB2 PHE 5 -7.156 5.626 3.007
35 HB3 PHE 5 HB3 PHE 5 -6.579 4.048 3.530
36 HD1 PHE 5 HD1 PHE 5 -6.130 6.870 1.212
37 HD2 PHE 5 HD2 PHE 5 -4.529 3.116 2.623
38 HE1 PHE 5 HE1 PHE 5 -3.868 7.580 0.514
39 HE2 PHE 5 HE2 PHE 5 -2.239 3.872 1.988
40 HZ PHE 5 HZ PHE 5 -1.925 6.135 0.963
41 H ARG 6 H ARG 6 -6.928 3.456 -0.354
42 HA ARG 6 HA ARG 6 -7.287 0.546 -0.330
43 HB2 ARG 6 HB2 ARG 6 -7.367 2.474 -2.260
44 HB3 ARG 6 HB3 ARG 6 -5.740 1.835 -2.511
45 HG2 ARG 6 HG3 ARG 6 -8.270 0.147 -2.512
46 HG3 ARG 6 HG2 ARG 6 -7.511 0.821 -3.962
47 HD2 ARG 6 HD3 ARG 6 -5.457 -0.506 -3.495
48 HD3 ARG 6 HD2 ARG 6 -6.254 -1.209 -2.074
49 HE ARG 6 HE ARG 6 -6.816 -1.823 -4.916
50 HH11 ARG 6 HH11 ARG 6 -8.011 -3.628 -5.349
51 HH12 ARG 6 HH12 ARG 6 -8.853 -4.487 -4.079
52 HH21 ARG 6 HH21 ARG 6 -7.832 -2.380 -1.511
53 HH22 ARG 6 HH22 ARG 6 -8.755 -3.798 -1.953
54 H GLY 7 H GLY 7 -4.389 2.461 -1.178
55 HA2 GLY 7 HA3 GLY 7 -2.628 1.916 0.865
56 HA3 GLY 7 HA2 GLY 7 -2.566 0.442 -0.113
57 H ILE 8 H ILE 8 -2.625 3.964 -0.795
58 HA ILE 8 HA ILE 8 -0.726 3.762 -2.991
59 HB ILE 8 HB ILE 8 -1.905 6.145 -1.534
60 HG12 ILE 8 HG13 ILE 8 -3.149 6.189 -3.955
61 HG13 ILE 8 HG12 ILE 8 -2.981 4.446 -3.716
62 HG21 ILE 8 HG21 ILE 8 0.181 6.724 -2.739
63 HG22 ILE 8 HG22 ILE 8 -0.559 6.150 -4.253
64 HG23 ILE 8 HG23 ILE 8 -1.255 7.546 -3.394
65 HD11 ILE 8 HD11 ILE 8 -5.167 5.239 -2.920
66 HD12 ILE 8 HD12 ILE 8 -4.195 4.602 -1.572
67 HD13 ILE 8 HD13 ILE 8 -4.363 6.361 -1.795
68 H ASN 9 H ASN 9 -0.593 5.414 0.187
69 HA ASN 9 HA ASN 9 2.251 5.773 0.245
70 HB2 ASN 9 HB2 ASN 9 0.379 7.056 1.433
71 HB3 ASN 9 HB3 ASN 9 0.458 5.797 2.665
72 HD21 ASN 9 HD21 ASN 9 0.836 8.058 3.851
73 HD22 ASN 9 HD22 ASN 9 2.519 8.474 4.078
74 H GLY 10 H GLY 10 0.181 3.318 1.875
75 HA2 GLY 10 HA2 GLY 10 2.065 1.978 3.451
76 HA3 GLY 10 HA3 GLY 10 0.676 1.199 2.682
77 H HIS 11 H HIS 11 1.264 1.091 0.046
78 HA HIS 11 HA HIS 11 3.328 -0.916 -0.189
79 HB2 HIS 11 HB2 HIS 11 1.542 0.558 -2.138
80 HB3 HIS 11 HB3 HIS 11 2.789 -0.559 -2.714
81 HD1 HIS 11 HD1 HIS 11 -0.561 -0.625 -0.644
82 HD2 HIS 11 HD2 HIS 11 2.287 -3.105 -2.664
83 HE1 HIS 11 HE1 HIS 11 -1.462 -3.026 -0.868
84 H ASN 12 H ASN 12 3.265 2.608 -1.061
85 HA ASN 12 HA ASN 12 5.711 2.671 -2.506
86 HB2 ASN 12 HB2 ASN 12 3.958 4.448 -2.412
87 HB3 ASN 12 HB3 ASN 12 4.545 4.899 -0.805
88 HD21 ASN 12 HD21 ASN 12 6.197 6.415 -0.677
89 HD22 ASN 12 HD22 ASN 12 7.115 6.986 -2.053
90 H SER 13 H SER 13 5.222 2.720 1.019
91 HA SER 13 HA SER 13 8.054 3.167 1.652
92 HB2 SER 13 HB2 SER 13 7.182 3.172 3.981
93 HB3 SER 13 HB3 SER 13 6.246 4.259 2.940
94 HG SER 13 HG SER 13 4.681 3.168 3.948
95 H SER 14 H SER 14 5.664 0.493 2.332
96 HA SER 14 HA SER 14 7.721 -1.172 3.431
97 HB2 SER 14 HB3 SER 14 5.406 -1.358 4.159
98 HB3 SER 14 HB2 SER 14 5.001 -2.127 2.610
99 HG SER 14 HG SER 14 5.481 -3.667 4.265
100 H SER 15 H SER 15 6.250 -1.239 0.146
101 HA SER 15 HA SER 15 7.910 -3.427 -0.748
102 HB2 SER 15 HB3 SER 15 5.764 -2.597 -1.825
103 HB3 SER 15 HB2 SER 15 6.708 -1.242 -2.484
104 HG SER 15 HG SER 15 6.578 -3.029 -3.950
105 H SER 16 H SER 16 8.787 -0.045 -0.132
106 HA SER 16 HA SER 16 11.112 -0.114 -1.959
107 HB2 SER 16 HB3 SER 16 9.777 1.971 -1.705
108 HB3 SER 16 HB2 SER 16 10.210 2.023 0.019
109 HG SER 16 HG SER 16 11.602 3.332 -1.287
110 H LEU 17 H LEU 17 12.940 -1.080 -1.377
111 HA LEU 17 HA LEU 17 13.500 -1.893 1.370
112 HB2 LEU 17 HB2 LEU 17 14.831 -2.186 -1.319
113 HB3 LEU 17 HB3 LEU 17 15.692 -2.656 0.148
114 HG LEU 17 HG LEU 17 14.643 -4.507 -1.076
115 HD11 LEU 17 HD21 LEU 17 15.158 -4.669 1.340
116 HD12 LEU 17 HD22 LEU 17 13.455 -4.291 1.690
117 HD13 LEU 17 HD23 LEU 17 13.871 -5.767 0.788
118 HD21 LEU 17 HD11 LEU 17 12.542 -3.455 -1.855
119 HD22 LEU 17 HD12 LEU 17 12.328 -5.051 -1.098
120 HD23 LEU 17 HD13 LEU 17 11.911 -3.575 -0.195
Start of MODEL 15
1 H1 ASN 1 H1 ASN 1 -7.805 5.504 5.565
2 H2 ASN 1 H2 ASN 1 -8.938 6.182 4.577
3 H3 ASN 1 H3 ASN 1 -8.831 6.653 6.155
4 HA ASN 1 HA ASN 1 -9.520 4.549 6.941
5 HB2 ASN 1 HB2 ASN 1 -11.107 6.429 6.202
6 HB3 ASN 1 HB3 ASN 1 -11.446 5.443 4.774
7 HD21 ASN 1 HD21 ASN 1 -13.254 4.163 4.926
8 HD22 ASN 1 HD22 ASN 1 -13.953 3.588 6.423
9 H VAL 2 H VAL 2 -10.432 2.460 6.522
10 HA VAL 2 HA VAL 2 -8.941 0.951 4.586
11 HB VAL 2 HB VAL 2 -11.133 0.002 6.424
12 HG11 VAL 2 HG21 VAL 2 -10.719 -1.613 4.566
13 HG12 VAL 2 HG22 VAL 2 -10.314 -2.257 6.176
14 HG13 VAL 2 HG23 VAL 2 -9.018 -1.718 5.080
15 HG21 VAL 2 HG11 VAL 2 -9.178 0.954 7.653
16 HG22 VAL 2 HG12 VAL 2 -9.429 -0.783 7.947
17 HG23 VAL 2 HG13 VAL 2 -8.134 -0.245 6.852
18 H HIS 3 H HIS 3 -12.490 1.605 4.713
19 HA HIS 3 HA HIS 3 -13.164 0.138 2.378
20 HB2 HIS 3 HB3 HIS 3 -14.603 1.107 4.334
21 HB3 HIS 3 HB2 HIS 3 -14.773 2.514 3.264
22 HD1 HIS 3 HD1 HIS 3 -15.424 -1.368 3.127
23 HD2 HIS 3 HD2 HIS 3 -16.575 2.379 1.375
24 HE1 HIS 3 HE1 HIS 3 -17.374 -1.703 1.481
25 H THR 4 H THR 4 -12.467 3.631 2.642
26 HA THR 4 HA THR 4 -12.901 4.105 -0.199
27 HB THR 4 HB THR 4 -12.092 6.435 0.413
28 HG1 THR 4 HG1 THR 4 -10.971 5.815 2.342
29 HG21 THR 4 HG21 THR 4 -14.133 7.108 1.606
30 HG22 THR 4 HG22 THR 4 -14.482 5.994 0.263
31 HG23 THR 4 HG23 THR 4 -14.498 5.398 1.941
32 H PHE 5 H PHE 5 -9.995 4.761 1.832
33 HA PHE 5 HA PHE 5 -8.215 4.690 -0.480
34 HB2 PHE 5 HB3 PHE 5 -7.625 4.921 2.495
35 HB3 PHE 5 HB2 PHE 5 -6.406 5.008 1.223
36 HD1 PHE 5 HD1 PHE 5 -9.431 6.733 2.625
37 HD2 PHE 5 HD2 PHE 5 -5.919 7.095 0.147
38 HE1 PHE 5 HE1 PHE 5 -9.756 9.190 2.527
39 HE2 PHE 5 HE2 PHE 5 -6.230 9.551 0.092
40 HZ PHE 5 HZ PHE 5 -8.141 10.596 1.272
41 H ARG 6 H ARG 6 -6.960 3.098 -1.224
42 HA ARG 6 HA ARG 6 -7.303 0.370 -0.223
43 HB2 ARG 6 HB3 ARG 6 -6.950 1.577 -2.689
44 HB3 ARG 6 HB2 ARG 6 -5.360 0.868 -2.384
45 HG2 ARG 6 HG2 ARG 6 -6.327 -0.868 -3.496
46 HG3 ARG 6 HG3 ARG 6 -6.768 -1.310 -1.843
47 HD2 ARG 6 HD3 ARG 6 -8.591 0.123 -3.817
48 HD3 ARG 6 HD2 ARG 6 -8.602 -1.618 -3.499
49 HE ARG 6 HE ARG 6 -9.747 0.497 -1.811
50 HH11 ARG 6 HH11 ARG 6 -8.818 -2.975 -1.904
51 HH12 ARG 6 HH12 ARG 6 -9.867 -3.354 -0.556
52 HH21 ARG 6 HH21 ARG 6 -11.091 -1.758 0.429
53 HH22 ARG 6 HH22 ARG 6 -11.029 -0.099 -0.125
54 H GLY 7 H GLY 7 -4.296 1.934 -1.304
55 HA2 GLY 7 HA3 GLY 7 -2.867 2.033 1.133
56 HA3 GLY 7 HA2 GLY 7 -2.561 0.434 0.425
57 H ILE 8 H ILE 8 -2.775 3.829 -0.700
58 HA ILE 8 HA ILE 8 -0.777 3.571 -2.771
59 HB ILE 8 HB ILE 8 -2.047 6.003 -1.483
60 HG12 ILE 8 HG13 ILE 8 -3.261 5.882 -3.910
61 HG13 ILE 8 HG12 ILE 8 -3.055 4.157 -3.579
62 HG21 ILE 8 HG21 ILE 8 0.046 6.552 -2.697
63 HG22 ILE 8 HG22 ILE 8 -1.400 7.302 -3.416
64 HG23 ILE 8 HG23 ILE 8 -0.665 5.873 -4.182
65 HD11 ILE 8 HD11 ILE 8 -5.271 4.939 -2.850
66 HD12 ILE 8 HD12 ILE 8 -4.508 6.137 -1.777
67 HD13 ILE 8 HD13 ILE 8 -4.302 4.398 -1.459
68 H ASN 9 H ASN 9 -0.772 5.391 0.308
69 HA ASN 9 HA ASN 9 2.012 5.970 0.415
70 HB2 ASN 9 HB2 ASN 9 0.023 7.044 1.604
71 HB3 ASN 9 HB3 ASN 9 0.205 5.778 2.818
72 HD21 ASN 9 HD21 ASN 9 1.987 8.613 4.302
73 HD22 ASN 9 HD22 ASN 9 0.355 8.039 4.051
74 H GLY 10 H GLY 10 0.205 3.306 2.037
75 HA2 GLY 10 HA2 GLY 10 2.289 2.150 3.538
76 HA3 GLY 10 HA3 GLY 10 0.919 1.257 2.862
77 H HIS 11 H HIS 11 1.374 1.261 0.151
78 HA HIS 11 HA HIS 11 3.506 -0.631 -0.240
79 HB2 HIS 11 HB3 HIS 11 1.542 0.834 -1.994
80 HB3 HIS 11 HB2 HIS 11 2.908 -0.001 -2.755
81 HD1 HIS 11 HD1 HIS 11 2.607 -2.695 -3.067
82 HD2 HIS 11 HD2 HIS 11 -0.078 -0.665 -0.430
83 HE1 HIS 11 HE1 HIS 11 0.743 -4.297 -2.282
84 H ASN 12 H ASN 12 3.322 2.924 -0.897
85 HA ASN 12 HA ASN 12 5.682 3.211 -2.417
86 HB2 ASN 12 HB3 ASN 12 3.854 4.887 -2.066
87 HB3 ASN 12 HB2 ASN 12 4.527 5.223 -0.467
88 HD21 ASN 12 HD21 ASN 12 6.326 6.802 -3.838
89 HD22 ASN 12 HD22 ASN 12 5.124 5.539 -3.984
90 H SER 13 H SER 13 5.494 2.828 1.139
91 HA SER 13 HA SER 13 8.442 3.141 1.277
92 HB2 SER 13 HB3 SER 13 6.288 3.993 3.102
93 HB3 SER 13 HB2 SER 13 7.692 3.247 3.901
94 HG SER 13 HG SER 13 7.961 5.524 3.572
95 H SER 14 H SER 14 5.842 0.787 2.244
96 HA SER 14 HA SER 14 7.799 -0.924 3.505
97 HB2 SER 14 HB3 SER 14 5.484 -0.905 4.257
98 HB3 SER 14 HB2 SER 14 5.000 -1.705 2.746
99 HG SER 14 HG SER 14 5.367 -3.206 4.466
100 H SER 15 H SER 15 6.248 -1.139 0.258
101 HA SER 15 HA SER 15 7.778 -3.471 -0.507
102 HB2 SER 15 HB3 SER 15 6.453 -1.376 -2.273
103 HB3 SER 15 HB2 SER 15 7.016 -2.978 -2.790
104 HG SER 15 HG SER 15 4.751 -2.938 -2.340
105 H SER 16 H SER 16 8.894 -0.178 -0.119
106 HA SER 16 HA SER 16 10.886 -0.292 -2.266
107 HB2 SER 16 HB2 SER 16 11.561 1.918 -1.555
108 HB3 SER 16 HB3 SER 16 9.792 1.844 -1.665
109 HG SER 16 HG SER 16 10.518 2.908 0.247
110 H LEU 17 H LEU 17 12.847 -1.145 -2.174
111 HA LEU 17 HA LEU 17 13.827 -2.417 0.235
112 HB2 LEU 17 HB2 LEU 17 14.740 -2.181 -2.608
113 HB3 LEU 17 HB3 LEU 17 15.834 -2.853 -1.397
114 HG LEU 17 HG LEU 17 14.602 -4.505 -2.756
115 HD11 LEU 17 HD21 LEU 17 15.566 -5.064 -0.544
116 HD12 LEU 17 HD22 LEU 17 13.955 -4.830 0.175
117 HD13 LEU 17 HD23 LEU 17 14.211 -6.106 -1.040
118 HD21 LEU 17 HD11 LEU 17 12.379 -3.431 -2.932
119 HD22 LEU 17 HD12 LEU 17 12.331 -5.142 -2.447
120 HD23 LEU 17 HD13 LEU 17 12.075 -3.867 -1.232
Start of MODEL 16
1 H1 ASN 1 H1 ASN 1 -8.713 2.157 5.406
2 H2 ASN 1 H2 ASN 1 -8.231 2.040 6.979
3 H3 ASN 1 H3 ASN 1 -7.125 1.895 5.764
4 HA ASN 1 HA ASN 1 -7.931 -0.090 5.029
5 HB2 ASN 1 HB3 ASN 1 -6.305 0.043 6.751
6 HB3 ASN 1 HB2 ASN 1 -7.552 0.023 7.993
7 HD21 ASN 1 HD21 ASN 1 -6.012 -2.023 5.469
8 HD22 ASN 1 HD22 ASN 1 -6.311 -3.534 6.297
9 H VAL 2 H VAL 2 -10.488 1.412 5.635
10 HA VAL 2 HA VAL 2 -12.240 -0.944 5.505
11 HB VAL 2 HB VAL 2 -12.808 1.324 7.418
12 HG11 VAL 2 HG21 VAL 2 -14.878 0.619 6.220
13 HG12 VAL 2 HG22 VAL 2 -14.631 -1.034 6.831
14 HG13 VAL 2 HG23 VAL 2 -14.927 0.301 7.970
15 HG21 VAL 2 HG11 VAL 2 -11.302 -0.421 8.366
16 HG22 VAL 2 HG12 VAL 2 -12.569 -1.634 8.068
17 HG23 VAL 2 HG13 VAL 2 -12.865 -0.298 9.207
18 H HIS 3 H HIS 3 -12.825 2.627 5.569
19 HA HIS 3 HA HIS 3 -14.392 2.596 3.170
20 HB2 HIS 3 HB3 HIS 3 -14.326 4.274 5.169
21 HB3 HIS 3 HB2 HIS 3 -13.072 5.093 4.214
22 HD1 HIS 3 HD1 HIS 3 -16.793 3.898 3.732
23 HD2 HIS 3 HD2 HIS 3 -13.875 6.719 2.336
24 HE1 HIS 3 HE1 HIS 3 -17.857 5.540 2.057
25 H THR 4 H THR 4 -10.998 3.545 3.694
26 HA THR 4 HA THR 4 -10.477 4.152 0.901
27 HB THR 4 HB THR 4 -8.077 4.308 1.776
28 HG1 THR 4 HG1 THR 4 -8.432 3.043 3.685
29 HG21 THR 4 HG21 THR 4 -8.395 6.455 2.933
30 HG22 THR 4 HG22 THR 4 -10.138 6.122 3.069
31 HG23 THR 4 HG23 THR 4 -9.395 6.335 1.465
32 H PHE 5 H PHE 5 -8.732 1.793 3.002
33 HA PHE 5 HA PHE 5 -7.860 -0.265 2.640
34 HB2 PHE 5 HB2 PHE 5 -10.342 -0.542 2.697
35 HB3 PHE 5 HB3 PHE 5 -10.288 -0.804 0.958
36 HD1 PHE 5 HD1 PHE 5 -10.285 -3.030 0.224
37 HD2 PHE 5 HD2 PHE 5 -8.649 -2.145 4.118
38 HE1 PHE 5 HE1 PHE 5 -9.984 -5.448 0.663
39 HE2 PHE 5 HE2 PHE 5 -8.355 -4.555 4.544
40 HZ PHE 5 HZ PHE 5 -9.015 -6.212 2.822
41 H ARG 6 H ARG 6 -7.102 1.667 0.519
42 HA ARG 6 HA ARG 6 -6.369 -0.060 -1.768
43 HB2 ARG 6 HB2 ARG 6 -7.397 2.348 -1.837
44 HB3 ARG 6 HB3 ARG 6 -5.741 2.880 -1.541
45 HG2 ARG 6 HG3 ARG 6 -6.614 1.177 -3.907
46 HG3 ARG 6 HG2 ARG 6 -6.442 2.940 -3.938
47 HD2 ARG 6 HD3 ARG 6 -3.999 2.596 -3.264
48 HD3 ARG 6 HD2 ARG 6 -4.248 0.868 -3.586
49 HE ARG 6 HE ARG 6 -5.121 2.121 -5.908
50 HH11 ARG 6 HH11 ARG 6 -2.127 2.632 -7.569
51 HH12 ARG 6 HH12 ARG 6 -3.867 2.491 -7.694
52 HH21 ARG 6 HH21 ARG 6 -1.089 2.445 -5.596
53 HH22 ARG 6 HH22 ARG 6 -1.994 2.153 -4.129
54 H GLY 7 H GLY 7 -4.637 2.486 -0.010
55 HA2 GLY 7 HA3 GLY 7 -2.651 2.252 1.307
56 HA3 GLY 7 HA2 GLY 7 -2.328 0.691 0.527
57 H ILE 8 H ILE 8 -2.716 4.153 -0.401
58 HA ILE 8 HA ILE 8 -0.936 3.993 -2.677
59 HB ILE 8 HB ILE 8 -2.019 6.379 -1.154
60 HG12 ILE 8 HG13 ILE 8 -3.451 6.424 -3.451
61 HG13 ILE 8 HG12 ILE 8 -3.240 4.678 -3.265
62 HG21 ILE 8 HG21 ILE 8 -0.033 6.952 -2.527
63 HG22 ILE 8 HG22 ILE 8 -0.888 6.362 -3.971
64 HG23 ILE 8 HG23 ILE 8 -1.520 7.764 -3.074
65 HD11 ILE 8 HD11 ILE 8 -5.373 5.419 -2.289
66 HD12 ILE 8 HD12 ILE 8 -4.503 6.529 -1.202
67 HD13 ILE 8 HD13 ILE 8 -4.293 4.770 -1.032
68 H ASN 9 H ASN 9 -0.596 5.678 0.457
69 HA ASN 9 HA ASN 9 2.259 6.025 0.279
70 HB2 ASN 9 HB2 ASN 9 0.491 7.421 1.498
71 HB3 ASN 9 HB3 ASN 9 0.635 6.245 2.804
72 HD21 ASN 9 HD21 ASN 9 2.833 8.969 3.888
73 HD22 ASN 9 HD22 ASN 9 1.131 8.572 3.807
74 H GLY 10 H GLY 10 0.258 3.729 2.185
75 HA2 GLY 10 HA2 GLY 10 2.194 2.442 3.733
76 HA3 GLY 10 HA3 GLY 10 0.750 1.651 3.085
77 H HIS 11 H HIS 11 1.189 1.340 0.443
78 HA HIS 11 HA HIS 11 3.202 -0.717 0.237
79 HB2 HIS 11 HB2 HIS 11 1.383 0.680 -1.744
80 HB3 HIS 11 HB3 HIS 11 2.552 -0.540 -2.268
81 HD1 HIS 11 HD1 HIS 11 -0.723 -0.268 -0.107
82 HD2 HIS 11 HD2 HIS 11 1.927 -3.048 -1.993
83 HE1 HIS 11 HE1 HIS 11 -1.784 -2.612 -0.164
84 H ASN 12 H ASN 12 3.157 2.742 -0.887
85 HA ASN 12 HA ASN 12 5.532 2.661 -2.432
86 HB2 ASN 12 HB2 ASN 12 3.794 4.453 -2.375
87 HB3 ASN 12 HB3 ASN 12 4.474 5.020 -0.844
88 HD21 ASN 12 HD21 ASN 12 7.012 6.958 -2.394
89 HD22 ASN 12 HD22 ASN 12 6.204 6.485 -0.916
90 H SER 13 H SER 13 5.277 2.718 1.088
91 HA SER 13 HA SER 13 8.173 3.220 1.484
92 HB2 SER 13 HB2 SER 13 7.455 3.545 3.842
93 HB3 SER 13 HB3 SER 13 6.495 4.550 2.742
94 HG SER 13 HG SER 13 4.970 3.656 3.991
95 H SER 14 H SER 14 5.675 0.760 2.499
96 HA SER 14 HA SER 14 7.687 -0.889 3.721
97 HB2 SER 14 HB3 SER 14 5.397 -0.883 4.542
98 HB3 SER 14 HB2 SER 14 4.892 -1.767 3.085
99 HG SER 14 HG SER 14 5.354 -3.173 4.861
100 H SER 15 H SER 15 6.092 -1.202 0.508
101 HA SER 15 HA SER 15 7.647 -3.539 -0.201
102 HB2 SER 15 HB3 SER 15 6.317 -1.525 -2.053
103 HB3 SER 15 HB2 SER 15 6.899 -3.141 -2.498
104 HG SER 15 HG SER 15 4.630 -3.103 -2.073
105 H SER 16 H SER 16 8.705 -0.197 0.075
106 HA SER 16 HA SER 16 10.712 -0.364 -2.051
107 HB2 SER 16 HB2 SER 16 11.357 1.870 -1.440
108 HB3 SER 16 HB3 SER 16 9.587 1.779 -1.497
109 HG SER 16 HG SER 16 11.010 2.709 0.460
110 H LEU 17 H LEU 17 12.698 -1.162 -1.931
111 HA LEU 17 HA LEU 17 13.683 -2.374 0.508
112 HB2 LEU 17 HB2 LEU 17 14.614 -2.166 -2.334
113 HB3 LEU 17 HB3 LEU 17 15.712 -2.795 -1.104
114 HG LEU 17 HG LEU 17 14.523 -4.493 -2.444
115 HD11 LEU 17 HD21 LEU 17 15.488 -4.997 -0.221
116 HD12 LEU 17 HD22 LEU 17 13.870 -4.784 0.489
117 HD13 LEU 17 HD23 LEU 17 14.157 -6.075 -0.702
118 HD21 LEU 17 HD11 LEU 17 12.278 -3.470 -2.648
119 HD22 LEU 17 HD12 LEU 17 11.976 -3.882 -0.944
120 HD23 LEU 17 HD13 LEU 17 12.262 -5.173 -2.135
Start of MODEL 17
1 H1 ASN 1 H1 ASN 1 -8.798 2.872 6.693
2 H2 ASN 1 H2 ASN 1 -9.869 3.850 5.909
3 H3 ASN 1 H3 ASN 1 -9.967 3.664 7.545
4 HA ASN 1 HA ASN 1 -10.567 1.398 7.360
5 HB2 ASN 1 HB2 ASN 1 -12.214 3.367 7.209
6 HB3 ASN 1 HB3 ASN 1 -12.321 3.011 5.480
7 HD21 ASN 1 HD21 ASN 1 -14.027 1.714 4.898
8 HD22 ASN 1 HD22 ASN 1 -14.827 0.572 5.955
9 H VAL 2 H VAL 2 -11.251 -0.388 6.058
10 HA VAL 2 HA VAL 2 -9.452 -0.964 3.894
11 HB VAL 2 HB VAL 2 -11.749 -2.625 4.926
12 HG11 VAL 2 HG21 VAL 2 -11.015 -3.369 2.659
13 HG12 VAL 2 HG22 VAL 2 -9.375 -3.615 3.306
14 HG13 VAL 2 HG23 VAL 2 -10.733 -4.581 3.932
15 HG21 VAL 2 HG11 VAL 2 -10.016 -2.174 6.667
16 HG22 VAL 2 HG12 VAL 2 -10.160 -3.894 6.233
17 HG23 VAL 2 HG13 VAL 2 -8.802 -2.929 5.607
18 H HIS 3 H HIS 3 -13.034 -0.510 3.813
19 HA HIS 3 HA HIS 3 -13.352 -0.971 1.031
20 HB2 HIS 3 HB3 HIS 3 -15.053 -0.864 3.021
21 HB3 HIS 3 HB2 HIS 3 -15.212 0.839 2.542
22 HD1 HIS 3 HD1 HIS 3 -17.751 0.469 1.550
23 HD2 HIS 3 HD2 HIS 3 -14.566 -1.870 -0.126
24 HE1 HIS 3 HE1 HIS 3 -18.528 -0.691 -0.614
25 H THR 4 H THR 4 -12.941 2.162 2.696
26 HA THR 4 HA THR 4 -13.092 3.692 0.225
27 HB THR 4 HB THR 4 -12.518 5.618 1.776
28 HG1 THR 4 HG1 THR 4 -11.571 4.322 3.447
29 HG21 THR 4 HG21 THR 4 -14.716 5.729 2.870
30 HG22 THR 4 HG22 THR 4 -14.842 5.216 1.171
31 HG23 THR 4 HG23 THR 4 -14.996 4.015 2.476
32 H PHE 5 H PHE 5 -10.475 3.564 2.702
33 HA PHE 5 HA PHE 5 -8.453 4.419 0.770
34 HB2 PHE 5 HB3 PHE 5 -8.195 3.533 3.669
35 HB3 PHE 5 HB2 PHE 5 -6.870 4.146 2.680
36 HD1 PHE 5 HD1 PHE 5 -6.456 6.506 2.532
37 HD2 PHE 5 HD2 PHE 5 -10.144 5.081 4.249
38 HE1 PHE 5 HE1 PHE 5 -6.974 8.786 3.350
39 HE2 PHE 5 HE2 PHE 5 -10.678 7.379 5.022
40 HZ PHE 5 HZ PHE 5 -9.078 9.225 4.582
41 H ARG 6 H ARG 6 -7.170 3.209 -0.449
42 HA ARG 6 HA ARG 6 -7.308 0.272 -0.328
43 HB2 ARG 6 HB3 ARG 6 -7.235 2.144 -2.356
44 HB3 ARG 6 HB2 ARG 6 -5.564 1.571 -2.329
45 HG2 ARG 6 HG2 ARG 6 -6.601 0.232 -3.943
46 HG3 ARG 6 HG3 ARG 6 -6.521 -0.806 -2.511
47 HD2 ARG 6 HD2 ARG 6 -8.916 -0.343 -2.042
48 HD3 ARG 6 HD3 ARG 6 -8.994 0.710 -3.472
49 HE ARG 6 HE ARG 6 -8.018 -1.836 -4.298
50 HH11 ARG 6 HH11 ARG 6 -11.058 -3.254 -5.150
51 HH12 ARG 6 HH12 ARG 6 -9.317 -3.317 -5.306
52 HH21 ARG 6 HH21 ARG 6 -12.054 -1.669 -3.922
53 HH22 ARG 6 HH22 ARG 6 -11.110 -0.455 -3.088
54 H GLY 7 H GLY 7 -4.495 2.329 -1.047
55 HA2 GLY 7 HA3 GLY 7 -2.896 2.131 1.187
56 HA3 GLY 7 HA2 GLY 7 -2.648 0.568 0.385
57 H ILE 8 H ILE 8 -2.837 4.029 -0.531
58 HA ILE 8 HA ILE 8 -0.944 3.827 -2.710
59 HB ILE 8 HB ILE 8 -2.084 6.224 -1.246
60 HG12 ILE 8 HG13 ILE 8 -3.401 6.264 -3.619
61 HG13 ILE 8 HG12 ILE 8 -3.227 4.520 -3.392
62 HG21 ILE 8 HG21 ILE 8 -0.029 6.778 -2.523
63 HG22 ILE 8 HG22 ILE 8 -1.481 7.602 -3.141
64 HG23 ILE 8 HG23 ILE 8 -0.821 6.194 -4.007
65 HD11 ILE 8 HD11 ILE 8 -5.390 5.309 -2.530
66 HD12 ILE 8 HD12 ILE 8 -4.556 6.426 -1.424
67 HD13 ILE 8 HD13 ILE 8 -4.381 4.667 -1.212
68 H ASN 9 H ASN 9 -0.750 5.492 0.453
69 HA ASN 9 HA ASN 9 2.063 5.954 0.455
70 HB2 ASN 9 HB2 ASN 9 0.167 7.082 1.748
71 HB3 ASN 9 HB3 ASN 9 0.347 5.781 2.924
72 HD21 ASN 9 HD21 ASN 9 0.644 8.003 4.199
73 HD22 ASN 9 HD22 ASN 9 2.310 8.503 4.394
74 H GLY 10 H GLY 10 0.200 3.327 2.074
75 HA2 GLY 10 HA2 GLY 10 2.256 2.050 3.495
76 HA3 GLY 10 HA3 GLY 10 0.853 1.222 2.804
77 H HIS 11 H HIS 11 1.278 1.248 0.109
78 HA HIS 11 HA HIS 11 3.387 -0.673 -0.333
79 HB2 HIS 11 HB2 HIS 11 1.454 0.847 -2.099
80 HB3 HIS 11 HB3 HIS 11 2.716 -0.167 -2.814
81 HD1 HIS 11 HD1 HIS 11 -0.490 -0.541 -0.555
82 HD2 HIS 11 HD2 HIS 11 2.317 -2.729 -2.936
83 HE1 HIS 11 HE1 HIS 11 -1.300 -2.961 -0.900
84 H ASN 12 H ASN 12 3.176 2.891 -1.003
85 HA ASN 12 HA ASN 12 5.507 3.163 -2.567
86 HB2 ASN 12 HB3 ASN 12 3.707 4.853 -2.198
87 HB3 ASN 12 HB2 ASN 12 4.398 5.185 -0.604
88 HD21 ASN 12 HD21 ASN 12 6.182 6.750 -3.988
89 HD22 ASN 12 HD22 ASN 12 4.975 5.492 -4.127
90 H SER 13 H SER 13 5.395 2.829 1.004
91 HA SER 13 HA SER 13 8.353 3.079 1.050
92 HB2 SER 13 HB3 SER 13 6.290 4.098 2.868
93 HB3 SER 13 HB2 SER 13 7.628 3.273 3.699
94 HG SER 13 HG SER 13 8.067 5.512 3.314
95 H SER 14 H SER 14 5.734 0.775 2.060
96 HA SER 14 HA SER 14 7.649 -0.892 3.430
97 HB2 SER 14 HB3 SER 14 5.276 -0.884 4.049
98 HB3 SER 14 HB2 SER 14 4.928 -1.808 2.571
99 HG SER 14 HG SER 14 5.264 -3.168 4.411
100 H SER 15 H SER 15 6.302 -1.159 0.088
101 HA SER 15 HA SER 15 7.770 -3.526 -0.580
102 HB2 SER 15 HB2 SER 15 7.282 -3.024 -2.851
103 HB3 SER 15 HB3 SER 15 5.893 -2.479 -1.896
104 HG SER 15 HG SER 15 7.725 -1.008 -3.390
105 H SER 16 H SER 16 8.910 -0.215 -0.269
106 HA SER 16 HA SER 16 11.318 -0.540 -1.876
107 HB2 SER 16 HB2 SER 16 11.822 1.734 -1.303
108 HB3 SER 16 HB3 SER 16 10.091 1.628 -1.673
109 HG SER 16 HG SER 16 11.051 2.746 0.400
110 H LEU 17 H LEU 17 13.236 -1.301 -1.301
111 HA LEU 17 HA LEU 17 13.678 -2.386 1.348
112 HB2 LEU 17 HB2 LEU 17 15.190 -2.313 -1.237
113 HB3 LEU 17 HB3 LEU 17 15.999 -2.872 0.227
114 HG LEU 17 HG LEU 17 15.112 -4.645 -1.249
115 HD11 LEU 17 HD21 LEU 17 15.586 -5.029 1.151
116 HD12 LEU 17 HD22 LEU 17 14.382 -6.139 0.455
117 HD13 LEU 17 HD23 LEU 17 13.856 -4.793 1.493
118 HD21 LEU 17 HD11 LEU 17 12.964 -3.646 -1.969
119 HD22 LEU 17 HD12 LEU 17 12.835 -5.324 -1.386
120 HD23 LEU 17 HD13 LEU 17 12.309 -3.977 -0.347
Start of MODEL 18
1 H1 ASN 1 H1 ASN 1 -7.115 -2.781 4.442
2 H2 ASN 1 H2 ASN 1 -8.733 -2.461 4.458
3 H3 ASN 1 H3 ASN 1 -8.075 -3.443 5.608
4 HA ASN 1 HA ASN 1 -7.542 -5.109 4.031
5 HB2 ASN 1 HB3 ASN 1 -9.834 -4.829 5.186
6 HB3 ASN 1 HB2 ASN 1 -10.423 -4.252 3.622
7 HD21 ASN 1 HD21 ASN 1 -11.421 -5.776 2.374
8 HD22 ASN 1 HD22 ASN 1 -11.117 -7.497 2.455
9 H VAL 2 H VAL 2 -7.885 -5.990 1.849
10 HA VAL 2 HA VAL 2 -6.955 -4.194 -0.179
11 HB VAL 2 HB VAL 2 -7.859 -7.054 -0.487
12 HG11 VAL 2 HG21 VAL 2 -7.769 -5.871 -2.684
13 HG12 VAL 2 HG22 VAL 2 -6.053 -5.504 -2.379
14 HG13 VAL 2 HG23 VAL 2 -6.587 -7.194 -2.539
15 HG21 VAL 2 HG11 VAL 2 -5.944 -6.804 1.098
16 HG22 VAL 2 HG12 VAL 2 -5.006 -6.040 -0.207
17 HG23 VAL 2 HG13 VAL 2 -5.539 -7.730 -0.366
18 H HIS 3 H HIS 3 -10.196 -5.743 0.144
19 HA HIS 3 HA HIS 3 -11.294 -4.658 -2.251
20 HB2 HIS 3 HB3 HIS 3 -12.055 -6.616 -0.690
21 HB3 HIS 3 HB2 HIS 3 -13.018 -5.356 0.107
22 HD1 HIS 3 HD1 HIS 3 -15.392 -6.374 -0.850
23 HD2 HIS 3 HD2 HIS 3 -12.400 -5.203 -3.697
24 HE1 HIS 3 HE1 HIS 3 -16.392 -6.287 -3.222
25 H THR 4 H THR 4 -11.541 -3.395 1.082
26 HA THR 4 HA THR 4 -13.142 -1.096 0.267
27 HB THR 4 HB THR 4 -12.890 -0.488 2.723
28 HG1 THR 4 HG1 THR 4 -11.820 -3.106 2.946
29 HG21 THR 4 HG21 THR 4 -14.442 -2.198 3.567
30 HG22 THR 4 HG22 THR 4 -14.920 -1.599 1.961
31 HG23 THR 4 HG23 THR 4 -14.136 -3.188 2.120
32 H PHE 5 H PHE 5 -10.053 -1.197 2.115
33 HA PHE 5 HA PHE 5 -9.304 1.484 1.267
34 HB2 PHE 5 HB2 PHE 5 -8.903 0.662 3.510
35 HB3 PHE 5 HB3 PHE 5 -7.906 -0.658 2.905
36 HD1 PHE 5 HD1 PHE 5 -8.053 3.038 3.402
37 HD2 PHE 5 HD2 PHE 5 -5.571 -0.390 2.552
38 HE1 PHE 5 HE1 PHE 5 -6.030 4.366 3.940
39 HE2 PHE 5 HE2 PHE 5 -3.557 0.919 3.182
40 HZ PHE 5 HZ PHE 5 -3.786 3.307 3.862
41 H ARG 6 H ARG 6 -7.599 2.162 0.085
42 HA ARG 6 HA ARG 6 -6.710 0.450 -2.129
43 HB2 ARG 6 HB2 ARG 6 -7.528 3.010 -2.024
44 HB3 ARG 6 HB3 ARG 6 -5.790 3.279 -1.862
45 HG2 ARG 6 HG3 ARG 6 -7.092 1.754 -4.150
46 HG3 ARG 6 HG2 ARG 6 -6.672 3.473 -4.197
47 HD2 ARG 6 HD3 ARG 6 -4.266 2.862 -3.839
48 HD3 ARG 6 HD2 ARG 6 -4.724 1.150 -3.919
49 HE ARG 6 HE ARG 6 -4.612 3.069 -6.170
50 HH11 ARG 6 HH11 ARG 6 -4.662 2.240 -8.215
51 HH12 ARG 6 HH12 ARG 6 -5.065 0.563 -8.507
52 HH21 ARG 6 HH21 ARG 6 -5.545 -0.824 -6.818
53 HH22 ARG 6 HH22 ARG 6 -5.526 -0.261 -5.162
54 H GLY 7 H GLY 7 -4.887 2.812 -0.160
55 HA2 GLY 7 HA3 GLY 7 -3.010 2.362 1.257
56 HA3 GLY 7 HA2 GLY 7 -2.798 0.792 0.465
57 H ILE 8 H ILE 8 -2.786 4.264 -0.434
58 HA ILE 8 HA ILE 8 -0.820 3.979 -2.542
59 HB ILE 8 HB ILE 8 -1.895 6.425 -1.110
60 HG12 ILE 8 HG13 ILE 8 -3.099 6.536 -3.548
61 HG13 ILE 8 HG12 ILE 8 -3.045 4.786 -3.297
62 HG21 ILE 8 HG21 ILE 8 0.237 6.880 -2.293
63 HG22 ILE 8 HG22 ILE 8 -1.143 7.783 -2.962
64 HG23 ILE 8 HG23 ILE 8 -0.521 6.350 -3.814
65 HD11 ILE 8 HD11 ILE 8 -5.186 5.722 -2.530
66 HD12 ILE 8 HD12 ILE 8 -4.271 5.035 -1.167
67 HD13 ILE 8 HD13 ILE 8 -4.325 6.798 -1.403
68 H ASN 9 H ASN 9 -0.678 5.630 0.633
69 HA ASN 9 HA ASN 9 2.144 5.973 0.755
70 HB2 ASN 9 HB3 ASN 9 0.292 7.200 1.986
71 HB3 ASN 9 HB2 ASN 9 0.283 5.846 3.121
72 HD21 ASN 9 HD21 ASN 9 2.959 8.799 3.743
73 HD22 ASN 9 HD22 ASN 9 1.704 8.945 2.533
74 H GLY 10 H GLY 10 0.129 3.388 2.260
75 HA2 GLY 10 HA2 GLY 10 2.103 1.997 3.701
76 HA3 GLY 10 HA3 GLY 10 0.678 1.246 2.966
77 H HIS 11 H HIS 11 1.153 1.340 0.275
78 HA HIS 11 HA HIS 11 3.147 -0.678 -0.208
79 HB2 HIS 11 HB3 HIS 11 1.311 1.020 -1.900
80 HB3 HIS 11 HB2 HIS 11 2.581 0.064 -2.681
81 HD1 HIS 11 HD1 HIS 11 1.910 -2.522 -3.180
82 HD2 HIS 11 HD2 HIS 11 -0.403 -0.373 -0.298
83 HE1 HIS 11 HE1 HIS 11 -0.132 -3.921 -2.448
84 H ASN 12 H ASN 12 3.210 2.905 -0.707
85 HA ASN 12 HA ASN 12 5.603 3.069 -2.217
86 HB2 ASN 12 HB3 ASN 12 3.887 4.856 -1.868
87 HB3 ASN 12 HB2 ASN 12 4.535 5.107 -0.242
88 HD21 ASN 12 HD21 ASN 12 5.247 5.478 -3.732
89 HD22 ASN 12 HD22 ASN 12 6.526 6.652 -3.518
90 H SER 13 H SER 13 5.300 2.672 1.331
91 HA SER 13 HA SER 13 8.241 2.868 1.614
92 HB2 SER 13 HB3 SER 13 5.961 3.297 3.515
93 HB3 SER 13 HB2 SER 13 7.527 2.763 4.167
94 HG SER 13 HG SER 13 7.358 5.068 4.041
95 H SER 14 H SER 14 5.579 0.480 2.415
96 HA SER 14 HA SER 14 7.498 -1.401 3.434
97 HB2 SER 14 HB3 SER 14 5.178 -1.412 4.185
98 HB3 SER 14 HB2 SER 14 4.692 -2.072 2.609
99 HG SER 14 HG SER 14 5.044 -3.720 4.192
100 H SER 15 H SER 15 5.943 -1.273 0.179
101 HA SER 15 HA SER 15 7.440 -3.534 -0.816
102 HB2 SER 15 HB3 SER 15 5.300 -2.567 -1.771
103 HB3 SER 15 HB2 SER 15 6.274 -1.234 -2.429
104 HG SER 15 HG SER 15 5.984 -2.956 -3.948
105 H SER 16 H SER 16 8.553 -0.274 -0.124
106 HA SER 16 HA SER 16 10.762 -0.340 -2.083
107 HB2 SER 16 HB3 SER 16 9.536 1.776 -1.599
108 HB3 SER 16 HB2 SER 16 10.082 1.689 0.091
109 HG SER 16 HG SER 16 11.442 3.030 -1.215
110 H LEU 17 H LEU 17 12.575 -1.423 -1.675
111 HA LEU 17 HA LEU 17 13.247 -2.453 0.973
112 HB2 LEU 17 HB2 LEU 17 14.411 -2.613 -1.802
113 HB3 LEU 17 HB3 LEU 17 15.327 -3.226 -0.423
114 HG LEU 17 HG LEU 17 14.119 -4.934 -1.709
115 HD11 LEU 17 HD11 LEU 17 14.770 -5.284 0.653
116 HD12 LEU 17 HD12 LEU 17 13.405 -6.288 0.108
117 HD13 LEU 17 HD13 LEU 17 13.108 -4.863 1.133
118 HD21 LEU 17 HD21 LEU 17 12.030 -3.741 -2.287
119 HD22 LEU 17 HD22 LEU 17 11.787 -5.377 -1.628
120 HD23 LEU 17 HD23 LEU 17 11.489 -3.952 -0.605
Start of MODEL 19
1 H1 ASN 1 H1 ASN 1 -7.793 -4.533 4.582
2 H2 ASN 1 H2 ASN 1 -9.334 -3.946 4.566
3 H3 ASN 1 H3 ASN 1 -8.996 -5.354 5.356
4 HA ASN 1 HA ASN 1 -8.480 -6.475 3.351
5 HB2 ASN 1 HB3 ASN 1 -10.852 -6.202 4.315
6 HB3 ASN 1 HB2 ASN 1 -11.123 -5.019 3.031
7 HD21 ASN 1 HD21 ASN 1 -10.404 -8.492 3.635
8 HD22 ASN 1 HD22 ASN 1 -11.082 -9.059 2.125
9 H VAL 2 H VAL 2 -8.535 -6.540 1.028
10 HA VAL 2 HA VAL 2 -7.168 -4.363 -0.230
11 HB VAL 2 HB VAL 2 -8.355 -6.824 -1.512
12 HG11 VAL 2 HG21 VAL 2 -7.844 -5.057 -3.199
13 HG12 VAL 2 HG22 VAL 2 -6.152 -5.066 -2.649
14 HG13 VAL 2 HG23 VAL 2 -6.857 -6.526 -3.385
15 HG21 VAL 2 HG11 VAL 2 -6.644 -7.364 0.226
16 HG22 VAL 2 HG12 VAL 2 -5.462 -6.391 -0.683
17 HG23 VAL 2 HG13 VAL 2 -6.167 -7.850 -1.418
18 H HIS 3 H HIS 3 -10.588 -5.424 -0.649
19 HA HIS 3 HA HIS 3 -11.295 -3.563 -2.674
20 HB2 HIS 3 HB3 HIS 3 -12.467 -5.715 -1.750
21 HB3 HIS 3 HB2 HIS 3 -13.301 -4.573 -0.676
22 HD1 HIS 3 HD1 HIS 3 -12.749 -5.092 -4.541
23 HD2 HIS 3 HD2 HIS 3 -15.367 -3.296 -1.650
24 HE1 HIS 3 HE1 HIS 3 -14.830 -4.111 -5.696
25 H THR 4 H THR 4 -11.679 -3.222 0.862
26 HA THR 4 HA THR 4 -12.831 -0.561 0.696
27 HB THR 4 HB THR 4 -12.544 -0.649 3.219
28 HG1 THR 4 HG1 THR 4 -12.077 -2.657 4.134
29 HG21 THR 4 HG21 THR 4 -14.339 -2.278 3.630
30 HG22 THR 4 HG22 THR 4 -14.152 -2.902 1.974
31 HG23 THR 4 HG23 THR 4 -14.699 -1.229 2.239
32 H PHE 5 H PHE 5 -9.819 -1.628 2.356
33 HA PHE 5 HA PHE 5 -8.636 1.049 2.149
34 HB2 PHE 5 HB3 PHE 5 -7.547 -1.557 3.287
35 HB3 PHE 5 HB2 PHE 5 -6.699 -0.009 3.333
36 HD1 PHE 5 HD1 PHE 5 -9.782 -1.772 4.515
37 HD2 PHE 5 HD2 PHE 5 -7.059 1.500 5.161
38 HE1 PHE 5 HE1 PHE 5 -10.842 -1.328 6.733
39 HE2 PHE 5 HE2 PHE 5 -8.102 1.923 7.369
40 HZ PHE 5 HZ PHE 5 -9.980 0.516 8.154
41 H ARG 6 H ARG 6 -7.358 1.765 0.584
42 HA ARG 6 HA ARG 6 -6.501 0.005 -1.601
43 HB2 ARG 6 HB2 ARG 6 -7.505 2.497 -1.551
44 HB3 ARG 6 HB3 ARG 6 -5.786 2.906 -1.557
45 HG2 ARG 6 HG3 ARG 6 -7.134 1.147 -3.641
46 HG3 ARG 6 HG2 ARG 6 -6.895 2.893 -3.810
47 HD2 ARG 6 HD3 ARG 6 -4.419 2.540 -3.644
48 HD3 ARG 6 HD2 ARG 6 -4.704 0.791 -3.590
49 HE ARG 6 HE ARG 6 -4.982 2.567 -5.944
50 HH11 ARG 6 HH11 ARG 6 -5.121 1.613 -7.928
51 HH12 ARG 6 HH12 ARG 6 -5.374 -0.110 -8.092
52 HH21 ARG 6 HH21 ARG 6 -5.561 -1.429 -6.297
53 HH22 ARG 6 HH22 ARG 6 -5.460 -0.766 -4.681
54 H GLY 7 H GLY 7 -4.730 2.585 0.108
55 HA2 GLY 7 HA3 GLY 7 -2.693 2.375 1.341
56 HA3 GLY 7 HA2 GLY 7 -2.408 0.794 0.588
57 H ILE 8 H ILE 8 -2.791 4.231 -0.393
58 HA ILE 8 HA ILE 8 -1.075 4.008 -2.716
59 HB ILE 8 HB ILE 8 -2.142 6.428 -1.239
60 HG12 ILE 8 HG13 ILE 8 -3.629 6.369 -3.512
61 HG13 ILE 8 HG12 ILE 8 -3.414 4.637 -3.233
62 HG21 ILE 8 HG21 ILE 8 -0.198 6.974 -2.681
63 HG22 ILE 8 HG22 ILE 8 -1.704 7.757 -3.212
64 HG23 ILE 8 HG23 ILE 8 -1.086 6.333 -4.084
65 HD11 ILE 8 HD11 ILE 8 -5.517 5.436 -2.244
66 HD12 ILE 8 HD12 ILE 8 -4.404 4.856 -0.982
67 HD13 ILE 8 HD13 ILE 8 -4.618 6.604 -1.246
68 H ASN 9 H ASN 9 -0.672 5.786 0.360
69 HA ASN 9 HA ASN 9 2.176 6.139 0.111
70 HB2 ASN 9 HB2 ASN 9 0.418 7.556 1.330
71 HB3 ASN 9 HB3 ASN 9 0.612 6.422 2.667
72 HD21 ASN 9 HD21 ASN 9 1.108 8.785 3.584
73 HD22 ASN 9 HD22 ASN 9 2.808 9.200 3.606
74 H GLY 10 H GLY 10 0.232 3.880 2.123
75 HA2 GLY 10 HA2 GLY 10 2.231 2.663 3.656
76 HA3 GLY 10 HA3 GLY 10 0.771 1.842 3.086
77 H HIS 11 H HIS 11 1.137 1.465 0.424
78 HA HIS 11 HA HIS 11 3.131 -0.608 0.223
79 HB2 HIS 11 HB3 HIS 11 1.290 0.771 -1.758
80 HB3 HIS 11 HB2 HIS 11 2.449 -0.465 -2.270
81 HD1 HIS 11 HD1 HIS 11 -0.768 -0.175 -0.017
82 HD2 HIS 11 HD2 HIS 11 1.817 -2.956 -1.994
83 HE1 HIS 11 HE1 HIS 11 -1.826 -2.520 -0.033
84 H ASN 12 H ASN 12 3.104 2.831 -0.928
85 HA ASN 12 HA ASN 12 5.421 2.744 -2.546
86 HB2 ASN 12 HB3 ASN 12 3.707 4.554 -2.439
87 HB3 ASN 12 HB2 ASN 12 4.417 5.089 -0.911
88 HD21 ASN 12 HD21 ASN 12 6.258 6.046 -4.488
89 HD22 ASN 12 HD22 ASN 12 4.997 4.835 -4.439
90 H SER 13 H SER 13 5.327 2.934 1.031
91 HA SER 13 HA SER 13 8.288 3.131 1.055
92 HB2 SER 13 HB3 SER 13 6.206 4.263 2.822
93 HB3 SER 13 HB2 SER 13 7.634 3.606 3.654
94 HG SER 13 HG SER 13 7.914 5.816 3.020
95 H SER 14 H SER 14 5.639 1.017 2.394
96 HA SER 14 HA SER 14 7.578 -0.582 3.815
97 HB2 SER 14 HB3 SER 14 5.284 -0.391 4.614
98 HB3 SER 14 HB2 SER 14 4.739 -1.375 3.240
99 HG SER 14 HG SER 14 5.120 -2.637 5.139
100 H SER 15 H SER 15 5.932 -1.167 0.654
101 HA SER 15 HA SER 15 7.377 -3.625 0.174
102 HB2 SER 15 HB3 SER 15 6.080 -1.732 -1.823
103 HB3 SER 15 HB2 SER 15 6.602 -3.397 -2.151
104 HG SER 15 HG SER 15 4.347 -3.253 -1.673
105 H SER 16 H SER 16 8.609 -0.350 0.108
106 HA SER 16 HA SER 16 10.558 -0.821 -2.031
107 HB2 SER 16 HB2 SER 16 11.316 1.439 -1.635
108 HB3 SER 16 HB3 SER 16 9.544 1.412 -1.710
109 HG SER 16 HG SER 16 10.340 2.701 0.028
110 H LEU 17 H LEU 17 12.493 -1.721 -1.847
111 HA LEU 17 HA LEU 17 13.501 -2.656 0.728
112 HB2 LEU 17 HB2 LEU 17 14.327 -2.869 -2.162
113 HB3 LEU 17 HB3 LEU 17 15.429 -3.405 -0.892
114 HG LEU 17 HG LEU 17 14.120 -5.187 -1.975
115 HD11 LEU 17 HD11 LEU 17 15.108 -5.452 0.280
116 HD12 LEU 17 HD12 LEU 17 13.517 -5.072 0.980
117 HD13 LEU 17 HD13 LEU 17 13.717 -6.515 -0.043
118 HD21 LEU 17 HD21 LEU 17 11.926 -4.081 -2.276
119 HD22 LEU 17 HD22 LEU 17 11.839 -5.706 -1.552
120 HD23 LEU 17 HD23 LEU 17 11.638 -4.264 -0.528
Start of MODEL 20
1 H1 ASN 1 H1 ASN 1 -10.620 -4.094 5.080
2 H2 ASN 1 H2 ASN 1 -10.094 -3.271 6.409
3 H3 ASN 1 H3 ASN 1 -9.154 -4.453 5.747
4 HA ASN 1 HA ASN 1 -9.855 -1.863 4.591
5 HB2 ASN 1 HB3 ASN 1 -8.201 -2.092 6.502
6 HB3 ASN 1 HB2 ASN 1 -7.126 -2.896 5.353
7 HD21 ASN 1 HD21 ASN 1 -5.686 0.164 4.403
8 HD22 ASN 1 HD22 ASN 1 -5.501 -1.541 4.751
9 H VAL 2 H VAL 2 -9.570 -4.904 3.489
10 HA VAL 2 HA VAL 2 -7.954 -4.531 1.114
11 HB VAL 2 HB VAL 2 -9.815 -6.802 1.816
12 HG11 VAL 2 HG21 VAL 2 -9.350 -6.697 -0.632
13 HG12 VAL 2 HG22 VAL 2 -7.611 -6.824 -0.276
14 HG13 VAL 2 HG23 VAL 2 -8.706 -8.160 0.150
15 HG21 VAL 2 HG11 VAL 2 -7.914 -6.581 3.421
16 HG22 VAL 2 HG12 VAL 2 -7.879 -8.095 2.485
17 HG23 VAL 2 HG13 VAL 2 -6.783 -6.758 2.059
18 H HIS 3 H HIS 3 -11.519 -4.902 1.558
19 HA HIS 3 HA HIS 3 -12.254 -4.312 -1.125
20 HB2 HIS 3 HB3 HIS 3 -13.544 -5.385 0.895
21 HB3 HIS 3 HB2 HIS 3 -14.070 -3.717 1.199
22 HD1 HIS 3 HD1 HIS 3 -14.125 -6.303 -1.771
23 HD2 HIS 3 HD2 HIS 3 -16.094 -2.831 -0.194
24 HE1 HIS 3 HE1 HIS 3 -16.222 -5.746 -3.161
25 H THR 4 H THR 4 -12.027 -2.099 1.663
26 HA THR 4 HA THR 4 -13.033 0.217 0.251
27 HB THR 4 HB THR 4 -12.247 1.409 2.352
28 HG1 THR 4 HG1 THR 4 -11.680 0.124 4.115
29 HG21 THR 4 HG21 THR 4 -13.983 0.497 3.838
30 HG22 THR 4 HG22 THR 4 -14.156 -0.913 2.767
31 HG23 THR 4 HG23 THR 4 -14.577 0.711 2.174
32 H PHE 5 H PHE 5 -9.787 -0.226 1.759
33 HA PHE 5 HA PHE 5 -8.597 1.749 -0.061
34 HB2 PHE 5 HB3 PHE 5 -8.143 1.509 2.437
35 HB3 PHE 5 HB2 PHE 5 -7.245 0.044 2.045
36 HD1 PHE 5 HD1 PHE 5 -7.252 3.727 1.833
37 HD2 PHE 5 HD2 PHE 5 -4.994 0.089 1.328
38 HE1 PHE 5 HE1 PHE 5 -5.145 5.009 2.056
39 HE2 PHE 5 HE2 PHE 5 -2.879 1.373 1.586
40 HZ PHE 5 HZ PHE 5 -2.971 3.843 1.993
41 H ARG 6 H ARG 6 -7.031 1.447 -1.537
42 HA ARG 6 HA ARG 6 -6.834 -1.163 -2.869
43 HB2 ARG 6 HB3 ARG 6 -6.967 1.468 -3.693
44 HB3 ARG 6 HB2 ARG 6 -5.241 1.126 -3.855
45 HG2 ARG 6 HG2 ARG 6 -6.109 0.677 -5.975
46 HG3 ARG 6 HG3 ARG 6 -5.916 -0.922 -5.243
47 HD2 ARG 6 HD3 ARG 6 -8.361 -0.969 -4.742
48 HD3 ARG 6 HD2 ARG 6 -8.534 0.625 -5.501
49 HE ARG 6 HE ARG 6 -8.088 -1.960 -6.875
50 HH11 ARG 6 HH11 ARG 6 -8.667 -0.567 -9.983
51 HH12 ARG 6 HH12 ARG 6 -8.437 -2.029 -9.051
52 HH21 ARG 6 HH21 ARG 6 -8.620 1.445 -9.009
53 HH22 ARG 6 HH22 ARG 6 -8.352 1.602 -7.287
54 H GLY 7 H GLY 7 -4.258 1.235 -2.310
55 HA2 GLY 7 HA3 GLY 7 -2.698 -0.030 -0.366
56 HA3 GLY 7 HA2 GLY 7 -2.205 -0.766 -1.899
57 H ILE 8 H ILE 8 -2.953 2.549 -0.753
58 HA ILE 8 HA ILE 8 -0.859 3.792 -2.338
59 HB ILE 8 HB ILE 8 -2.643 4.861 -0.133
60 HG12 ILE 8 HG13 ILE 8 -3.650 6.011 -2.384
61 HG13 ILE 8 HG12 ILE 8 -3.140 4.445 -3.028
62 HG21 ILE 8 HG21 ILE 8 -0.626 6.262 -0.474
63 HG22 ILE 8 HG22 ILE 8 -2.141 7.105 -0.880
64 HG23 ILE 8 HG23 ILE 8 -1.094 6.481 -2.178
65 HD11 ILE 8 HD11 ILE 8 -5.505 4.395 -2.361
66 HD12 ILE 8 HD12 ILE 8 -4.544 3.279 -1.363
67 HD13 ILE 8 HD13 ILE 8 -5.058 4.848 -0.699
68 H ASN 9 H ASN 9 -1.370 3.513 1.201
69 HA ASN 9 HA ASN 9 1.309 4.172 1.971
70 HB2 ASN 9 HB2 ASN 9 -0.892 4.341 3.263
71 HB3 ASN 9 HB3 ASN 9 -0.652 2.642 3.668
72 HD21 ASN 9 HD21 ASN 9 0.643 4.390 6.617
73 HD22 ASN 9 HD22 ASN 9 -0.882 3.936 5.890
74 H GLY 10 H GLY 10 -0.303 0.962 1.702
75 HA2 GLY 10 HA2 GLY 10 1.688 -0.731 2.697
76 HA3 GLY 10 HA3 GLY 10 0.574 -1.164 1.392
77 H HIS 11 H HIS 11 1.397 0.240 -0.766
78 HA HIS 11 HA HIS 11 3.861 -1.014 -1.594
79 HB2 HIS 11 HB2 HIS 11 1.970 1.009 -2.818
80 HB3 HIS 11 HB3 HIS 11 3.480 0.573 -3.631
81 HD1 HIS 11 HD1 HIS 11 0.070 -1.085 -2.571
82 HD2 HIS 11 HD2 HIS 11 3.558 -1.640 -4.991
83 HE1 HIS 11 HE1 HIS 11 -0.249 -3.084 -4.158
84 H ASN 12 H ASN 12 3.098 2.390 -0.563
85 HA ASN 12 HA ASN 12 5.587 3.556 -1.257
86 HB2 ASN 12 HB3 ASN 12 3.488 4.745 -0.615
87 HB3 ASN 12 HB2 ASN 12 3.799 4.311 1.071
88 HD21 ASN 12 HD21 ASN 12 4.966 6.314 -1.664
89 HD22 ASN 12 HD22 ASN 12 5.889 7.423 -0.675
90 H SER 13 H SER 13 4.860 1.529 1.558
91 HA SER 13 HA SER 13 7.471 2.014 2.847
92 HB2 SER 13 HB2 SER 13 6.428 0.711 4.690
93 HB3 SER 13 HB3 SER 13 5.376 2.041 4.173
94 HG SER 13 HG SER 13 3.994 0.379 4.239
95 H SER 14 H SER 14 5.601 -0.891 1.670
96 HA SER 14 HA SER 14 7.826 -2.631 2.148
97 HB2 SER 14 HB3 SER 14 5.526 -3.430 2.235
98 HB3 SER 14 HB2 SER 14 5.445 -3.322 0.463
99 HG SER 14 HG SER 14 6.042 -5.431 1.197
100 H SER 15 H SER 15 6.748 -1.125 -0.940
101 HA SER 15 HA SER 15 8.881 -2.339 -2.465
102 HB2 SER 15 HB3 SER 15 7.420 0.260 -3.066
103 HB3 SER 15 HB2 SER 15 8.398 -0.692 -4.201
104 HG SER 15 HG SER 15 6.137 -1.113 -4.409
105 H SER 16 H SER 16 9.028 0.299 -0.106
106 HA SER 16 HA SER 16 11.588 1.321 -1.220
107 HB2 SER 16 HB3 SER 16 9.851 2.314 1.080
108 HB3 SER 16 HB2 SER 16 11.395 3.046 0.591
109 HG SER 16 HG SER 16 9.572 4.093 -0.372
110 H LEU 17 H LEU 17 13.202 -0.083 -0.789
111 HA LEU 17 HA LEU 17 13.365 -1.621 1.699
112 HB2 LEU 17 HB2 LEU 17 14.988 -1.351 -0.827
113 HB3 LEU 17 HB3 LEU 17 15.649 -2.226 0.556
114 HG LEU 17 HG LEU 17 14.653 -3.636 -1.196
115 HD11 LEU 17 HD11 LEU 17 14.908 -4.417 1.139
116 HD12 LEU 17 HD12 LEU 17 13.639 -5.258 0.216
117 HD13 LEU 17 HD13 LEU 17 13.195 -4.022 1.418
118 HD21 LEU 17 HD21 LEU 17 12.694 -2.283 -1.873
119 HD22 LEU 17 HD22 LEU 17 12.332 -3.998 -1.562
120 HD23 LEU 17 HD23 LEU 17 11.888 -2.762 -0.360
Start of MODEL 21
1 H1 ASN 1 H1 ASN 1 -11.419 5.092 1.816
2 H2 ASN 1 H2 ASN 1 -11.099 3.822 0.815
3 H3 ASN 1 H3 ASN 1 -12.376 4.817 0.501
4 HA ASN 1 HA ASN 1 -13.523 4.123 2.441
5 HB2 ASN 1 HB3 ASN 1 -13.572 2.884 0.170
6 HB3 ASN 1 HB2 ASN 1 -12.576 1.655 0.960
7 HD21 ASN 1 HD21 ASN 1 -15.812 3.186 0.943
8 HD22 ASN 1 HD22 ASN 1 -16.620 1.884 1.787
9 H VAL 2 H VAL 2 -13.724 2.739 4.238
10 HA VAL 2 HA VAL 2 -11.205 2.315 5.677
11 HB VAL 2 HB VAL 2 -14.030 2.167 6.718
12 HG11 VAL 2 HG21 VAL 2 -12.464 0.812 8.109
13 HG12 VAL 2 HG22 VAL 2 -11.482 2.273 8.372
14 HG13 VAL 2 HG23 VAL 2 -13.156 2.206 8.973
15 HG21 VAL 2 HG11 VAL 2 -13.358 4.472 6.035
16 HG22 VAL 2 HG12 VAL 2 -13.671 4.312 7.780
17 HG23 VAL 2 HG13 VAL 2 -11.998 4.380 7.179
18 H HIS 3 H HIS 3 -14.078 0.203 5.022
19 HA HIS 3 HA HIS 3 -12.910 -2.179 6.023
20 HB2 HIS 3 HB3 HIS 3 -15.375 -1.546 5.468
21 HB3 HIS 3 HB2 HIS 3 -15.008 -2.236 3.873
22 HD1 HIS 3 HD1 HIS 3 -14.869 -3.351 7.648
23 HD2 HIS 3 HD2 HIS 3 -15.137 -4.838 3.629
24 HE1 HIS 3 HE1 HIS 3 -15.235 -5.900 7.652
25 H THR 4 H THR 4 -13.028 -1.081 2.625
26 HA THR 4 HA THR 4 -11.397 -3.328 1.710
27 HB THR 4 HB THR 4 -11.578 -2.109 -0.522
28 HG1 THR 4 HG1 THR 4 -12.181 -0.056 0.364
29 HG21 THR 4 HG21 THR 4 -13.901 -2.789 -0.958
30 HG22 THR 4 HG22 THR 4 -13.001 -4.032 -0.057
31 HG23 THR 4 HG23 THR 4 -14.168 -2.989 0.790
32 H PHE 5 H PHE 5 -10.930 0.216 1.213
33 HA PHE 5 HA PHE 5 -9.134 1.581 1.299
34 HB2 PHE 5 HB2 PHE 5 -8.851 0.747 3.592
35 HB3 PHE 5 HB3 PHE 5 -7.720 -0.473 3.006
36 HD1 PHE 5 HD1 PHE 5 -8.191 3.168 3.571
37 HD2 PHE 5 HD2 PHE 5 -5.444 -0.012 2.634
38 HE1 PHE 5 HE1 PHE 5 -6.280 4.689 4.030
39 HE2 PHE 5 HE2 PHE 5 -3.539 1.474 3.193
40 HZ PHE 5 HZ PHE 5 -3.953 3.843 3.852
41 H ARG 6 H ARG 6 -7.485 2.211 0.096
42 HA ARG 6 HA ARG 6 -6.532 0.386 -2.002
43 HB2 ARG 6 HB2 ARG 6 -7.429 2.860 -2.188
44 HB3 ARG 6 HB3 ARG 6 -5.751 3.283 -1.841
45 HG2 ARG 6 HG3 ARG 6 -6.666 1.557 -4.176
46 HG3 ARG 6 HG2 ARG 6 -6.319 3.291 -4.266
47 HD2 ARG 6 HD3 ARG 6 -3.955 2.741 -3.461
48 HD3 ARG 6 HD2 ARG 6 -4.361 1.034 -3.725
49 HE ARG 6 HE ARG 6 -4.998 2.261 -6.134
50 HH11 ARG 6 HH11 ARG 6 -1.967 2.063 -4.205
51 HH12 ARG 6 HH12 ARG 6 -0.971 2.202 -5.635
52 HH21 ARG 6 HH21 ARG 6 -1.895 2.405 -7.664
53 HH22 ARG 6 HH22 ARG 6 -3.632 2.429 -7.869
54 H GLY 7 H GLY 7 -4.765 2.924 -0.234
55 HA2 GLY 7 HA3 GLY 7 -2.898 2.631 1.236
56 HA3 GLY 7 HA2 GLY 7 -2.658 0.997 0.591
57 H ILE 8 H ILE 8 -2.690 4.377 -0.636
58 HA ILE 8 HA ILE 8 -0.719 3.928 -2.704
59 HB ILE 8 HB ILE 8 -1.782 6.484 -1.472
60 HG12 ILE 8 HG13 ILE 8 -2.991 6.427 -3.898
61 HG13 ILE 8 HG12 ILE 8 -2.926 4.695 -3.548
62 HG21 ILE 8 HG21 ILE 8 0.351 6.836 -2.690
63 HG22 ILE 8 HG22 ILE 8 -0.411 6.189 -4.163
64 HG23 ILE 8 HG23 ILE 8 -1.026 7.688 -3.426
65 HD11 ILE 8 HD11 ILE 8 -5.075 5.659 -2.843
66 HD12 ILE 8 HD12 ILE 8 -4.160 5.055 -1.440
67 HD13 ILE 8 HD13 ILE 8 -4.225 6.801 -1.775
68 H ASN 9 H ASN 9 -0.569 5.823 0.332
69 HA ASN 9 HA ASN 9 2.249 6.193 0.417
70 HB2 ASN 9 HB2 ASN 9 0.355 7.444 1.583
71 HB3 ASN 9 HB3 ASN 9 0.446 6.200 2.830
72 HD21 ASN 9 HD21 ASN 9 2.448 8.928 4.234
73 HD22 ASN 9 HD22 ASN 9 0.774 8.473 4.001
74 H GLY 10 H GLY 10 0.264 3.715 2.119
75 HA2 GLY 10 HA2 GLY 10 2.262 2.448 3.645
76 HA3 GLY 10 HA3 GLY 10 0.829 1.639 2.992
77 H HIS 11 H HIS 11 1.269 1.527 0.287
78 HA HIS 11 HA HIS 11 3.264 -0.515 -0.054
79 HB2 HIS 11 HB3 HIS 11 1.396 1.022 -1.848
80 HB3 HIS 11 HB2 HIS 11 2.696 0.068 -2.583
81 HD1 HIS 11 HD1 HIS 11 2.208 -2.605 -2.806
82 HD2 HIS 11 HD2 HIS 11 -0.314 -0.310 -0.226
83 HE1 HIS 11 HE1 HIS 11 0.244 -4.048 -1.957
84 H ASN 12 H ASN 12 3.320 3.022 -0.825
85 HA ASN 12 HA ASN 12 5.688 3.096 -2.360
86 HB2 ASN 12 HB2 ASN 12 3.977 4.896 -2.044
87 HB3 ASN 12 HB3 ASN 12 4.699 5.252 -0.469
88 HD21 ASN 12 HD21 ASN 12 6.397 6.724 -0.397
89 HD22 ASN 12 HD22 ASN 12 7.217 7.345 -1.812
90 H SER 13 H SER 13 5.483 2.830 1.204
91 HA SER 13 HA SER 13 8.441 2.985 1.362
92 HB2 SER 13 HB3 SER 13 6.275 3.780 3.254
93 HB3 SER 13 HB2 SER 13 7.784 3.152 3.953
94 HG SER 13 HG SER 13 7.852 5.440 3.602
95 H SER 14 H SER 14 5.716 0.797 2.443
96 HA SER 14 HA SER 14 7.575 -1.038 3.635
97 HB2 SER 14 HB3 SER 14 5.277 -0.883 4.410
98 HB3 SER 14 HB2 SER 14 4.732 -1.663 2.910
99 HG SER 14 HG SER 14 5.035 -3.172 4.636
100 H SER 15 H SER 15 5.962 -1.214 0.410
101 HA SER 15 HA SER 15 7.395 -3.611 -0.345
102 HB2 SER 15 HB3 SER 15 6.134 -1.496 -2.135
103 HB3 SER 15 HB2 SER 15 6.632 -3.127 -2.628
104 HG SER 15 HG SER 15 4.374 -2.993 -2.160
105 H SER 16 H SER 16 8.579 -0.333 -0.047
106 HA SER 16 HA SER 16 10.703 -0.616 -2.075
107 HB2 SER 16 HB3 SER 16 9.527 1.555 -1.707
108 HB3 SER 16 HB2 SER 16 10.155 1.595 -0.045
109 HG SER 16 HG SER 16 11.465 2.803 -1.519
110 H LEU 17 H LEU 17 12.526 -1.677 -1.662
111 HA LEU 17 HA LEU 17 13.299 -2.511 1.029
112 HB2 LEU 17 HB2 LEU 17 14.344 -2.899 -1.772
113 HB3 LEU 17 HB3 LEU 17 15.312 -3.414 -0.389
114 HG LEU 17 HG LEU 17 14.036 -5.201 -1.490
115 HD11 LEU 17 HD11 LEU 17 14.788 -5.378 0.863
116 HD12 LEU 17 HD12 LEU 17 13.393 -6.405 0.456
117 HD13 LEU 17 HD13 LEU 17 13.153 -4.904 1.381
118 HD21 LEU 17 HD21 LEU 17 11.932 -4.033 -2.065
119 HD22 LEU 17 HD22 LEU 17 11.706 -5.610 -1.273
120 HD23 LEU 17 HD23 LEU 17 11.466 -4.109 -0.348
Start of MODEL 22
1 H1 ASN 1 H1 ASN 1 -4.162 8.681 5.221
2 H2 ASN 1 H2 ASN 1 -5.640 8.361 5.876
3 H3 ASN 1 H3 ASN 1 -4.595 9.373 6.653
4 HA ASN 1 HA ASN 1 -3.063 7.629 7.069
5 HB2 ASN 1 HB2 ASN 1 -5.157 8.171 8.523
6 HB3 ASN 1 HB3 ASN 1 -5.802 6.639 7.916
7 HD21 ASN 1 HD21 ASN 1 -5.457 4.906 9.260
8 HD22 ASN 1 HD22 ASN 1 -4.136 4.763 10.398
9 H VAL 2 H VAL 2 -2.495 5.422 6.995
10 HA VAL 2 HA VAL 2 -2.966 4.104 4.504
11 HB VAL 2 HB VAL 2 -1.563 3.043 6.952
12 HG11 VAL 2 HG11 VAL 2 -2.200 1.191 5.402
13 HG12 VAL 2 HG12 VAL 2 -1.293 2.006 4.105
14 HG13 VAL 2 HG13 VAL 2 -0.440 1.416 5.552
15 HG21 VAL 2 HG21 VAL 2 -0.506 5.098 5.999
16 HG22 VAL 2 HG22 VAL 2 -0.321 4.247 4.447
17 HG23 VAL 2 HG23 VAL 2 0.531 3.656 5.894
18 H HIS 3 H HIS 3 -4.271 3.279 7.753
19 HA HIS 3 HA HIS 3 -5.663 0.917 7.086
20 HB2 HIS 3 HB3 HIS 3 -5.139 2.132 9.354
21 HB3 HIS 3 HB2 HIS 3 -6.744 2.854 9.116
22 HD1 HIS 3 HD1 HIS 3 -5.167 -0.755 9.265
23 HD2 HIS 3 HD2 HIS 3 -8.799 1.447 9.885
24 HE1 HIS 3 HE1 HIS 3 -6.998 -2.289 10.228
25 H THR 4 H THR 4 -6.879 4.267 6.888
26 HA THR 4 HA THR 4 -9.579 3.659 6.187
27 HB THR 4 HB THR 4 -9.571 6.079 5.386
28 HG1 THR 4 HG1 THR 4 -7.290 6.207 4.994
29 HG21 THR 4 HG21 THR 4 -9.412 7.075 7.628
30 HG22 THR 4 HG22 THR 4 -8.657 5.581 8.235
31 HG23 THR 4 HG23 THR 4 -10.334 5.553 7.638
32 H PHE 5 H PHE 5 -7.035 5.004 4.017
33 HA PHE 5 HA PHE 5 -8.465 4.256 1.627
34 HB2 PHE 5 HB2 PHE 5 -6.524 5.110 0.414
35 HB3 PHE 5 HB3 PHE 5 -7.239 6.240 1.547
36 HD1 PHE 5 HD1 PHE 5 -4.530 3.578 2.011
37 HD2 PHE 5 HD2 PHE 5 -5.518 7.776 1.782
38 HE1 PHE 5 HE1 PHE 5 -2.150 4.166 2.314
39 HE2 PHE 5 HE2 PHE 5 -3.144 8.356 2.177
40 HZ PHE 5 HZ PHE 5 -1.461 6.562 2.461
41 H ARG 6 H ARG 6 -7.188 3.147 -0.242
42 HA ARG 6 HA ARG 6 -7.021 0.354 0.259
43 HB2 ARG 6 HB3 ARG 6 -7.258 2.042 -1.900
44 HB3 ARG 6 HB2 ARG 6 -5.618 1.425 -2.119
45 HG2 ARG 6 HG2 ARG 6 -6.937 -0.002 -3.413
46 HG3 ARG 6 HG3 ARG 6 -6.630 -0.929 -1.937
47 HD2 ARG 6 HD2 ARG 6 -8.897 -0.359 -1.108
48 HD3 ARG 6 HD3 ARG 6 -9.202 0.585 -2.582
49 HE ARG 6 HE ARG 6 -8.425 -2.050 -3.351
50 HH11 ARG 6 HH11 ARG 6 -9.904 -3.557 -4.013
51 HH12 ARG 6 HH12 ARG 6 -11.595 -3.419 -3.584
52 HH21 ARG 6 HH21 ARG 6 -12.340 -1.711 -2.345
53 HH22 ARG 6 HH22 ARG 6 -11.246 -0.470 -1.776
54 H GLY 7 H GLY 7 -4.337 2.380 -0.959
55 HA2 GLY 7 HA3 GLY 7 -2.395 1.929 0.984
56 HA3 GLY 7 HA2 GLY 7 -2.298 0.510 -0.069
57 H ILE 8 H ILE 8 -2.558 4.066 -0.462
58 HA ILE 8 HA ILE 8 -0.868 4.116 -2.834
59 HB ILE 8 HB ILE 8 -1.964 6.332 -1.080
60 HG12 ILE 8 HG13 ILE 8 -3.425 6.569 -3.346
61 HG13 ILE 8 HG12 ILE 8 -3.177 4.819 -3.335
62 HG21 ILE 8 HG21 ILE 8 0.001 7.064 -2.406
63 HG22 ILE 8 HG22 ILE 8 -1.501 7.900 -2.865
64 HG23 ILE 8 HG23 ILE 8 -0.857 6.600 -3.895
65 HD11 ILE 8 HD11 ILE 8 -5.310 5.415 -2.272
66 HD12 ILE 8 HD12 ILE 8 -4.450 6.430 -1.089
67 HD13 ILE 8 HD13 ILE 8 -4.204 4.667 -1.095
68 H ASN 9 H ASN 9 -0.497 5.532 0.438
69 HA ASN 9 HA ASN 9 2.370 5.842 0.269
70 HB2 ASN 9 HB2 ASN 9 0.655 7.215 1.581
71 HB3 ASN 9 HB3 ASN 9 0.744 5.947 2.804
72 HD21 ASN 9 HD21 ASN 9 3.029 8.507 4.086
73 HD22 ASN 9 HD22 ASN 9 1.314 8.185 3.961
74 H GLY 10 H GLY 10 0.294 3.462 1.988
75 HA2 GLY 10 HA2 GLY 10 2.179 2.051 3.490
76 HA3 GLY 10 HA3 GLY 10 0.746 1.321 2.755
77 H HIS 11 H HIS 11 1.230 1.160 0.119
78 HA HIS 11 HA HIS 11 3.243 -0.884 -0.186
79 HB2 HIS 11 HB2 HIS 11 1.455 0.647 -2.098
80 HB3 HIS 11 HB3 HIS 11 2.637 -0.529 -2.689
81 HD1 HIS 11 HD1 HIS 11 -0.663 -0.418 -0.554
82 HD2 HIS 11 HD2 HIS 11 2.021 -3.055 -2.599
83 HE1 HIS 11 HE1 HIS 11 -1.693 -2.769 -0.751
84 H ASN 12 H ASN 12 3.224 2.643 -1.075
85 HA ASN 12 HA ASN 12 5.630 2.666 -2.573
86 HB2 ASN 12 HB2 ASN 12 3.935 4.487 -2.432
87 HB3 ASN 12 HB3 ASN 12 4.550 4.905 -0.827
88 HD21 ASN 12 HD21 ASN 12 7.175 6.927 -2.073
89 HD22 ASN 12 HD22 ASN 12 6.275 6.347 -0.690
90 H SER 13 H SER 13 5.241 2.917 0.990
91 HA SER 13 HA SER 13 8.115 3.150 1.449
92 HB2 SER 13 HB3 SER 13 5.751 3.001 3.360
93 HB3 SER 13 HB2 SER 13 7.442 3.175 3.878
94 HG SER 13 HG SER 13 6.359 5.210 3.683
95 H SER 14 H SER 14 5.670 0.540 2.258
96 HA SER 14 HA SER 14 7.741 -1.122 3.341
97 HB2 SER 14 HB3 SER 14 5.417 -1.300 4.083
98 HB3 SER 14 HB2 SER 14 5.024 -2.112 2.549
99 HG SER 14 HG SER 14 5.530 -3.605 4.240
100 H SER 15 H SER 15 6.228 -1.244 0.057
101 HA SER 15 HA SER 15 7.908 -3.432 -0.792
102 HB2 SER 15 HB3 SER 15 6.639 -1.296 -2.545
103 HB3 SER 15 HB2 SER 15 7.285 -2.860 -3.082
104 HG SER 15 HG SER 15 4.993 -2.897 -2.796
105 H SER 16 H SER 16 8.776 -0.038 -0.267
106 HA SER 16 HA SER 16 11.170 -0.258 -2.013
107 HB2 SER 16 HB3 SER 16 9.783 1.809 -2.140
108 HB3 SER 16 HB2 SER 16 10.115 2.119 -0.421
109 HG SER 16 HG SER 16 11.565 3.256 -1.824
110 H LEU 17 H LEU 17 12.683 -1.505 -1.055
111 HA LEU 17 HA LEU 17 13.148 -1.528 1.836
112 HB2 LEU 17 HB2 LEU 17 14.297 -2.911 -0.583
113 HB3 LEU 17 HB3 LEU 17 15.106 -3.049 0.979
114 HG LEU 17 HG LEU 17 13.665 -4.949 0.376
115 HD11 LEU 17 HD11 LEU 17 14.260 -4.438 2.724
116 HD12 LEU 17 HD12 LEU 17 12.678 -3.645 2.912
117 HD13 LEU 17 HD13 LEU 17 12.764 -5.382 2.532
118 HD21 LEU 17 HD21 LEU 17 11.768 -3.806 -0.728
119 HD22 LEU 17 HD22 LEU 17 11.206 -3.273 0.875
120 HD23 LEU 17 HD23 LEU 17 11.293 -5.010 0.494
Start of MODEL 23
1 H1 ASN 1 H1 ASN 1 -8.824 3.553 6.725
2 H2 ASN 1 H2 ASN 1 -7.777 2.927 7.835
3 H3 ASN 1 H3 ASN 1 -7.729 4.535 7.471
4 HA ASN 1 HA ASN 1 -6.973 4.172 5.319
5 HB2 ASN 1 HB3 ASN 1 -5.518 4.195 7.433
6 HB3 ASN 1 HB2 ASN 1 -5.256 2.475 7.114
7 HD21 ASN 1 HD21 ASN 1 -2.662 3.055 4.803
8 HD22 ASN 1 HD22 ASN 1 -3.497 1.947 5.868
9 H VAL 2 H VAL 2 -8.653 1.549 6.213
10 HA VAL 2 HA VAL 2 -7.768 -0.133 3.931
11 HB VAL 2 HB VAL 2 -9.012 -1.075 6.517
12 HG11 VAL 2 HG21 VAL 2 -9.808 -2.440 4.588
13 HG12 VAL 2 HG22 VAL 2 -8.114 -2.830 4.205
14 HG13 VAL 2 HG23 VAL 2 -8.822 -3.360 5.750
15 HG21 VAL 2 HG11 VAL 2 -6.581 -0.552 6.714
16 HG22 VAL 2 HG12 VAL 2 -6.961 -2.271 6.977
17 HG23 VAL 2 HG13 VAL 2 -6.252 -1.742 5.432
18 H HIS 3 H HIS 3 -10.709 0.818 5.811
19 HA HIS 3 HA HIS 3 -12.632 -0.033 3.890
20 HB2 HIS 3 HB3 HIS 3 -12.789 0.617 6.429
21 HB3 HIS 3 HB2 HIS 3 -13.152 2.235 5.796
22 HD1 HIS 3 HD1 HIS 3 -15.779 2.071 6.633
23 HD2 HIS 3 HD2 HIS 3 -14.344 -0.858 3.843
24 HE1 HIS 3 HE1 HIS 3 -17.747 0.756 5.617
25 H THR 4 H THR 4 -11.320 3.269 4.425
26 HA THR 4 HA THR 4 -12.689 4.265 2.014
27 HB THR 4 HB THR 4 -12.171 5.414 4.475
28 HG1 THR 4 HG1 THR 4 -12.955 6.741 2.103
29 HG21 THR 4 HG21 THR 4 -11.189 7.654 3.919
30 HG22 THR 4 HG22 THR 4 -10.017 6.329 4.115
31 HG23 THR 4 HG23 THR 4 -10.452 6.899 2.486
32 H PHE 5 H PHE 5 -9.328 4.291 3.251
33 HA PHE 5 HA PHE 5 -8.214 4.760 0.578
34 HB2 PHE 5 HB3 PHE 5 -7.370 5.752 2.754
35 HB3 PHE 5 HB2 PHE 5 -6.774 4.148 3.171
36 HD1 PHE 5 HD1 PHE 5 -6.274 7.095 1.008
37 HD2 PHE 5 HD2 PHE 5 -4.695 3.317 2.377
38 HE1 PHE 5 HE1 PHE 5 -3.995 7.822 0.383
39 HE2 PHE 5 HE2 PHE 5 -2.408 4.064 1.762
40 HZ PHE 5 HZ PHE 5 -2.063 6.351 0.807
41 H ARG 6 H ARG 6 -6.890 3.435 -0.599
42 HA ARG 6 HA ARG 6 -7.308 0.533 -0.337
43 HB2 ARG 6 HB3 ARG 6 -7.240 2.294 -2.451
44 HB3 ARG 6 HB2 ARG 6 -5.616 1.599 -2.520
45 HG2 ARG 6 HG2 ARG 6 -6.695 0.150 -3.902
46 HG3 ARG 6 HG3 ARG 6 -6.918 -0.698 -2.369
47 HD2 ARG 6 HD3 ARG 6 -9.010 1.109 -3.642
48 HD3 ARG 6 HD2 ARG 6 -8.935 -0.646 -3.870
49 HE ARG 6 HE ARG 6 -9.453 -0.929 -1.487
50 HH11 ARG 6 HH11 ARG 6 -11.172 2.742 -1.426
51 HH12 ARG 6 HH12 ARG 6 -10.085 2.380 -2.747
52 HH21 ARG 6 HH21 ARG 6 -10.825 -0.344 0.141
53 HH22 ARG 6 HH22 ARG 6 -11.579 1.235 0.170
54 H GLY 7 H GLY 7 -4.377 2.262 -1.383
55 HA2 GLY 7 HA3 GLY 7 -2.692 1.891 0.831
56 HA3 GLY 7 HA2 GLY 7 -2.567 0.401 -0.116
57 H ILE 8 H ILE 8 -2.672 3.912 -0.837
58 HA ILE 8 HA ILE 8 -0.736 3.738 -2.998
59 HB ILE 8 HB ILE 8 -1.960 6.104 -1.550
60 HG12 ILE 8 HG13 ILE 8 -3.181 6.141 -3.982
61 HG13 ILE 8 HG12 ILE 8 -2.997 4.398 -3.746
62 HG21 ILE 8 HG21 ILE 8 0.133 6.707 -2.737
63 HG22 ILE 8 HG22 ILE 8 -0.588 6.127 -4.257
64 HG23 ILE 8 HG23 ILE 8 -1.306 7.515 -3.404
65 HD11 ILE 8 HD11 ILE 8 -5.199 5.167 -2.967
66 HD12 ILE 8 HD12 ILE 8 -4.233 4.537 -1.611
67 HD13 ILE 8 HD13 ILE 8 -4.418 6.294 -1.833
68 H ASN 9 H ASN 9 -0.663 5.382 0.187
69 HA ASN 9 HA ASN 9 2.168 5.797 0.280
70 HB2 ASN 9 HB2 ASN 9 0.258 7.019 1.465
71 HB3 ASN 9 HB3 ASN 9 0.351 5.744 2.680
72 HD21 ASN 9 HD21 ASN 9 0.667 7.994 3.902
73 HD22 ASN 9 HD22 ASN 9 2.339 8.445 4.153
74 H GLY 10 H GLY 10 0.149 3.268 1.863
75 HA2 GLY 10 HA2 GLY 10 2.065 1.959 3.431
76 HA3 GLY 10 HA3 GLY 10 0.695 1.154 2.650
77 H HIS 11 H HIS 11 1.285 1.084 0.014
78 HA HIS 11 HA HIS 11 3.387 -0.870 -0.252
79 HB2 HIS 11 HB2 HIS 11 1.591 0.619 -2.177
80 HB3 HIS 11 HB3 HIS 11 2.864 -0.455 -2.774
81 HD1 HIS 11 HD1 HIS 11 -0.488 -0.653 -0.716
82 HD2 HIS 11 HD2 HIS 11 2.412 -3.009 -2.807
83 HE1 HIS 11 HE1 HIS 11 -1.338 -3.065 -1.012
84 H ASN 12 H ASN 12 3.282 2.667 -1.028
85 HA ASN 12 HA ASN 12 5.725 2.822 -2.467
86 HB2 ASN 12 HB2 ASN 12 3.916 4.543 -2.316
87 HB3 ASN 12 HB3 ASN 12 4.508 4.974 -0.706
88 HD21 ASN 12 HD21 ASN 12 7.050 7.128 -1.931
89 HD22 ASN 12 HD22 ASN 12 6.200 6.479 -0.546
90 H SER 13 H SER 13 5.288 2.651 1.082
91 HA SER 13 HA SER 13 8.188 3.080 1.508
92 HB2 SER 13 HB3 SER 13 6.194 4.187 2.903
93 HB3 SER 13 HB2 SER 13 6.365 2.691 3.847
94 HG SER 13 HG SER 13 7.755 4.381 4.602
95 H SER 14 H SER 14 5.684 0.563 2.347
96 HA SER 14 HA SER 14 7.680 -1.151 3.485
97 HB2 SER 14 HB3 SER 14 5.342 -1.269 4.172
98 HB3 SER 14 HB2 SER 14 4.953 -2.056 2.627
99 HG SER 14 HG SER 14 5.371 -3.577 4.318
100 H SER 15 H SER 15 6.235 -1.264 0.185
101 HA SER 15 HA SER 15 7.890 -3.480 -0.653
102 HB2 SER 15 HB3 SER 15 5.734 -2.686 -1.727
103 HB3 SER 15 HB2 SER 15 6.656 -1.331 -2.415
104 HG SER 15 HG SER 15 6.523 -3.138 -3.856
105 H SER 16 H SER 16 8.778 -0.114 -0.089
106 HA SER 16 HA SER 16 11.062 -0.155 -1.963
107 HB2 SER 16 HB3 SER 16 9.707 1.912 -1.643
108 HB3 SER 16 HB2 SER 16 10.186 1.944 0.069
109 HG SER 16 HG SER 16 11.524 3.291 -1.256
110 H LEU 17 H LEU 17 12.918 -1.101 -1.436
111 HA LEU 17 HA LEU 17 13.548 -1.954 1.284
112 HB2 LEU 17 HB2 LEU 17 14.821 -2.183 -1.439
113 HB3 LEU 17 HB3 LEU 17 15.723 -2.665 -0.002
114 HG LEU 17 HG LEU 17 14.671 -4.511 -1.230
115 HD11 LEU 17 HD21 LEU 17 15.243 -4.707 1.171
116 HD12 LEU 17 HD22 LEU 17 13.544 -4.355 1.565
117 HD13 LEU 17 HD23 LEU 17 13.957 -5.812 0.629
118 HD21 LEU 17 HD11 LEU 17 12.540 -3.472 -1.944
119 HD22 LEU 17 HD12 LEU 17 12.362 -5.084 -1.209
120 HD23 LEU 17 HD13 LEU 17 11.948 -3.628 -0.272
Start of MODEL 24
1 H1 ASN 1 H1 ASN 1 -12.917 7.912 0.556
2 H2 ASN 1 H2 ASN 1 -12.105 8.547 -0.731
3 H3 ASN 1 H3 ASN 1 -13.017 7.186 -0.922
4 HA ASN 1 HA ASN 1 -11.604 5.894 0.403
5 HB2 ASN 1 HB3 ASN 1 -11.284 6.415 -2.070
6 HB3 ASN 1 HB2 ASN 1 -9.942 7.455 -1.578
7 HD21 ASN 1 HD21 ASN 1 -7.635 4.807 -1.676
8 HD22 ASN 1 HD22 ASN 1 -7.971 6.515 -1.850
9 H VAL 2 H VAL 2 -11.473 8.840 1.602
10 HA VAL 2 HA VAL 2 -8.758 9.029 2.602
11 HB VAL 2 HB VAL 2 -11.207 10.589 3.433
12 HG11 VAL 2 HG21 VAL 2 -9.419 10.657 5.172
13 HG12 VAL 2 HG22 VAL 2 -9.750 12.242 4.434
14 HG13 VAL 2 HG23 VAL 2 -8.302 11.323 3.956
15 HG21 VAL 2 HG11 VAL 2 -10.589 10.964 1.043
16 HG22 VAL 2 HG12 VAL 2 -10.424 12.420 2.053
17 HG23 VAL 2 HG13 VAL 2 -8.977 11.500 1.575
18 H HIS 3 H HIS 3 -11.872 8.341 4.299
19 HA HIS 3 HA HIS 3 -10.671 7.466 6.737
20 HB2 HIS 3 HB3 HIS 3 -13.089 8.280 6.161
21 HB3 HIS 3 HB2 HIS 3 -13.404 6.556 5.876
22 HD1 HIS 3 HD1 HIS 3 -12.032 8.841 8.775
23 HD2 HIS 3 HD2 HIS 3 -13.910 5.068 7.963
24 HE1 HIS 3 HE1 HIS 3 -12.657 7.654 10.973
25 H THR 4 H THR 4 -11.880 5.526 3.993
26 HA THR 4 HA THR 4 -11.196 2.978 5.202
27 HB THR 4 HB THR 4 -11.836 2.106 2.904
28 HG1 THR 4 HG1 THR 4 -12.697 4.771 2.458
29 HG21 THR 4 HG21 THR 4 -14.253 2.487 3.141
30 HG22 THR 4 HG22 THR 4 -13.932 3.765 4.338
31 HG23 THR 4 HG23 THR 4 -13.488 2.079 4.695
32 H PHE 5 H PHE 5 -10.068 4.275 2.044
33 HA PHE 5 HA PHE 5 -8.082 4.335 0.988
34 HB2 PHE 5 HB3 PHE 5 -7.310 5.384 3.185
35 HB3 PHE 5 HB2 PHE 5 -6.550 3.827 3.518
36 HD1 PHE 5 HD1 PHE 5 -6.495 6.804 1.333
37 HD2 PHE 5 HD2 PHE 5 -4.435 3.265 2.658
38 HE1 PHE 5 HE1 PHE 5 -4.353 7.749 0.510
39 HE2 PHE 5 HE2 PHE 5 -2.285 4.220 1.863
40 HZ PHE 5 HZ PHE 5 -2.249 6.494 0.815
41 H ARG 6 H ARG 6 -6.863 3.101 -0.242
42 HA ARG 6 HA ARG 6 -7.097 0.185 0.032
43 HB2 ARG 6 HB2 ARG 6 -7.279 1.925 -2.064
44 HB3 ARG 6 HB3 ARG 6 -5.618 1.357 -2.261
45 HG2 ARG 6 HG3 ARG 6 -8.054 -0.461 -2.107
46 HG3 ARG 6 HG2 ARG 6 -7.329 0.121 -3.613
47 HD2 ARG 6 HD3 ARG 6 -5.207 -1.046 -3.034
48 HD3 ARG 6 HD2 ARG 6 -5.968 -1.661 -1.554
49 HE ARG 6 HE ARG 6 -6.491 -2.557 -4.328
50 HH11 ARG 6 HH11 ARG 6 -7.482 -2.861 -0.884
51 HH12 ARG 6 HH12 ARG 6 -8.327 -4.361 -1.194
52 HH21 ARG 6 HH21 ARG 6 -8.380 -5.241 -3.252
53 HH22 ARG 6 HH22 ARG 6 -7.583 -4.454 -4.595
54 H GLY 7 H GLY 7 -4.313 2.183 -0.987
55 HA2 GLY 7 HA3 GLY 7 -2.533 1.881 1.107
56 HA3 GLY 7 HA2 GLY 7 -2.360 0.373 0.194
57 H ILE 8 H ILE 8 -2.690 3.846 -0.658
58 HA ILE 8 HA ILE 8 -0.797 3.700 -2.854
59 HB ILE 8 HB ILE 8 -2.125 6.043 -1.459
60 HG12 ILE 8 HG13 ILE 8 -3.400 5.918 -3.860
61 HG13 ILE 8 HG12 ILE 8 -3.107 4.199 -3.564
62 HG21 ILE 8 HG21 ILE 8 -0.101 6.731 -2.718
63 HG22 ILE 8 HG22 ILE 8 -0.821 6.055 -4.199
64 HG23 ILE 8 HG23 ILE 8 -1.603 7.425 -3.374
65 HD11 ILE 8 HD11 ILE 8 -5.332 4.866 -2.757
66 HD12 ILE 8 HD12 ILE 8 -4.298 4.346 -1.405
67 HD13 ILE 8 HD13 ILE 8 -4.593 6.078 -1.686
68 H ASN 9 H ASN 9 -0.742 5.436 0.279
69 HA ASN 9 HA ASN 9 2.031 6.101 0.275
70 HB2 ASN 9 HB2 ASN 9 0.053 7.119 1.539
71 HB3 ASN 9 HB3 ASN 9 0.334 5.868 2.749
72 HD21 ASN 9 HD21 ASN 9 2.088 8.767 4.136
73 HD22 ASN 9 HD22 ASN 9 0.465 8.139 3.961
74 H GLY 10 H GLY 10 0.357 3.358 1.939
75 HA2 GLY 10 HA2 GLY 10 2.600 2.303 3.336
76 HA3 GLY 10 HA3 GLY 10 1.210 1.352 2.773
77 H HIS 11 H HIS 11 1.388 1.106 0.075
78 HA HIS 11 HA HIS 11 3.580 -0.585 -0.470
79 HB2 HIS 11 HB2 HIS 11 1.638 0.918 -2.213
80 HB3 HIS 11 HB3 HIS 11 2.949 -0.019 -2.947
81 HD1 HIS 11 HD1 HIS 11 -0.225 -0.626 -0.672
82 HD2 HIS 11 HD2 HIS 11 2.676 -2.582 -3.140
83 HE1 HIS 11 HE1 HIS 11 -0.852 -3.100 -1.002
84 H ASN 12 H ASN 12 3.461 3.031 -0.888
85 HA ASN 12 HA ASN 12 5.976 3.011 -2.330
86 HB2 ASN 12 HB3 ASN 12 4.352 4.881 -2.493
87 HB3 ASN 12 HB2 ASN 12 4.816 5.376 -0.857
88 HD21 ASN 12 HD21 ASN 12 7.274 6.234 -4.061
89 HD22 ASN 12 HD22 ASN 12 5.906 5.159 -4.246
90 H SER 13 H SER 13 5.140 3.125 1.115
91 HA SER 13 HA SER 13 7.720 3.421 2.305
92 HB2 SER 13 HB3 SER 13 5.287 3.513 3.306
93 HB3 SER 13 HB2 SER 13 5.540 1.776 3.592
94 HG SER 13 HG SER 13 6.229 3.081 5.378
95 H SER 14 H SER 14 6.290 0.984 0.675
96 HA SER 14 HA SER 14 6.869 -0.820 -0.521
97 HB2 SER 14 HB3 SER 14 9.166 -0.266 -0.114
98 HB3 SER 14 HB2 SER 14 9.094 -1.116 1.435
99 HG SER 14 HG SER 14 10.034 -2.388 -0.229
100 H SER 15 H SER 15 4.964 -0.410 1.052
101 HA SER 15 HA SER 15 3.301 -1.110 2.265
102 HB2 SER 15 HB2 SER 15 3.035 -2.355 0.423
103 HB3 SER 15 HB3 SER 15 4.354 -3.470 0.824
104 HG SER 15 HG SER 15 2.274 -4.413 1.116
105 H SER 16 H SER 16 5.523 -0.163 3.464
106 HA SER 16 HA SER 16 6.076 -1.754 5.904
107 HB2 SER 16 HB3 SER 16 7.297 0.685 4.574
108 HB3 SER 16 HB2 SER 16 7.675 0.293 6.266
109 HG SER 16 HG SER 16 9.163 -0.670 4.778
110 H LEU 17 H LEU 17 4.668 -1.591 7.524
111 HA LEU 17 HA LEU 17 2.853 0.670 7.861
112 HB2 LEU 17 HB2 LEU 17 3.389 -1.939 9.275
113 HB3 LEU 17 HB3 LEU 17 2.309 -0.745 9.999
114 HG LEU 17 HG LEU 17 1.180 -2.561 8.802
115 HD11 LEU 17 HD11 LEU 17 0.098 -0.363 9.163
116 HD12 LEU 17 HD12 LEU 17 0.540 0.084 7.497
117 HD13 LEU 17 HD13 LEU 17 -0.555 -1.290 7.790
118 HD21 LEU 17 HD21 LEU 17 2.706 -2.926 6.888
119 HD22 LEU 17 HD22 LEU 17 0.985 -2.804 6.447
120 HD23 LEU 17 HD23 LEU 17 2.079 -1.430 6.153
Start of MODEL 25
1 H1 ASN 1 H1 ASN 1 -8.733 0.759 6.636
2 H2 ASN 1 H2 ASN 1 -9.998 1.375 7.496
3 H3 ASN 1 H3 ASN 1 -9.932 1.585 5.861
4 HA ASN 1 HA ASN 1 -10.281 -0.951 7.293
5 HB2 ASN 1 HB2 ASN 1 -12.182 0.774 7.161
6 HB3 ASN 1 HB3 ASN 1 -12.245 0.420 5.429
7 HD21 ASN 1 HD21 ASN 1 -14.391 -2.342 5.891
8 HD22 ASN 1 HD22 ASN 1 -13.758 -1.096 4.840
9 H VAL 2 H VAL 2 -10.720 -2.802 5.972
10 HA VAL 2 HA VAL 2 -8.865 -3.107 3.800
11 HB VAL 2 HB VAL 2 -10.910 -5.074 4.817
12 HG11 VAL 2 HG21 VAL 2 -10.086 -5.689 2.542
13 HG12 VAL 2 HG22 VAL 2 -8.427 -5.716 3.185
14 HG13 VAL 2 HG23 VAL 2 -9.640 -6.863 3.803
15 HG21 VAL 2 HG11 VAL 2 -9.251 -4.408 6.563
16 HG22 VAL 2 HG12 VAL 2 -9.160 -6.128 6.112
17 HG23 VAL 2 HG13 VAL 2 -7.947 -4.981 5.494
18 H HIS 3 H HIS 3 -12.475 -3.147 3.729
19 HA HIS 3 HA HIS 3 -12.738 -3.617 0.942
20 HB2 HIS 3 HB3 HIS 3 -14.428 -3.763 2.937
21 HB3 HIS 3 HB2 HIS 3 -14.819 -2.093 2.477
22 HD1 HIS 3 HD1 HIS 3 -17.289 -2.797 1.482
23 HD2 HIS 3 HD2 HIS 3 -13.818 -4.662 -0.223
24 HE1 HIS 3 HE1 HIS 3 -17.905 -4.030 -0.692
25 H THR 4 H THR 4 -12.748 -0.475 2.641
26 HA THR 4 HA THR 4 -13.115 1.046 0.184
27 HB THR 4 HB THR 4 -12.810 3.017 1.756
28 HG1 THR 4 HG1 THR 4 -11.689 1.847 3.412
29 HG21 THR 4 HG21 THR 4 -15.000 2.813 2.852
30 HG22 THR 4 HG22 THR 4 -15.042 1.082 2.442
31 HG23 THR 4 HG23 THR 4 -15.059 2.304 1.148
32 H PHE 5 H PHE 5 -10.502 1.256 2.657
33 HA PHE 5 HA PHE 5 -8.621 2.400 0.735
34 HB2 PHE 5 HB3 PHE 5 -8.241 1.527 3.625
35 HB3 PHE 5 HB2 PHE 5 -7.011 2.325 2.644
36 HD1 PHE 5 HD1 PHE 5 -6.921 4.720 2.516
37 HD2 PHE 5 HD2 PHE 5 -10.381 2.793 4.224
38 HE1 PHE 5 HE1 PHE 5 -7.735 6.899 3.365
39 HE2 PHE 5 HE2 PHE 5 -11.209 4.989 5.029
40 HZ PHE 5 HZ PHE 5 -9.872 7.037 4.612
41 H ARG 6 H ARG 6 -7.176 1.398 -0.492
42 HA ARG 6 HA ARG 6 -6.915 -1.531 -0.425
43 HB2 ARG 6 HB3 ARG 6 -7.068 0.367 -2.419
44 HB3 ARG 6 HB2 ARG 6 -5.333 0.038 -2.370
45 HG2 ARG 6 HG2 ARG 6 -6.135 -1.401 -4.025
46 HG3 ARG 6 HG3 ARG 6 -5.936 -2.446 -2.612
47 HD2 ARG 6 HD2 ARG 6 -8.373 -2.354 -2.190
48 HD3 ARG 6 HD3 ARG 6 -8.582 -1.270 -3.578
49 HE ARG 6 HE ARG 6 -8.261 -3.093 -5.055
50 HH11 ARG 6 HH11 ARG 6 -7.787 -4.250 -1.682
51 HH12 ARG 6 HH12 ARG 6 -7.873 -5.925 -2.178
52 HH21 ARG 6 HH21 ARG 6 -8.357 -5.239 -5.556
53 HH22 ARG 6 HH22 ARG 6 -8.190 -6.470 -4.324
54 H GLY 7 H GLY 7 -4.395 0.901 -1.048
55 HA2 GLY 7 HA3 GLY 7 -2.814 0.851 1.209
56 HA3 GLY 7 HA2 GLY 7 -2.345 -0.636 0.364
57 H ILE 8 H ILE 8 -2.995 2.797 -0.447
58 HA ILE 8 HA ILE 8 -1.064 2.930 -2.599
59 HB ILE 8 HB ILE 8 -2.544 5.096 -1.082
60 HG12 ILE 8 HG13 ILE 8 -3.827 5.033 -3.473
61 HG13 ILE 8 HG12 ILE 8 -3.414 3.323 -3.302
62 HG21 ILE 8 HG21 ILE 8 -0.570 5.969 -2.306
63 HG22 ILE 8 HG22 ILE 8 -2.114 6.605 -2.921
64 HG23 ILE 8 HG23 ILE 8 -1.255 5.332 -3.820
65 HD11 ILE 8 HD11 ILE 8 -5.676 3.775 -2.450
66 HD12 ILE 8 HD12 ILE 8 -5.018 4.956 -1.294
67 HD13 ILE 8 HD13 ILE 8 -4.604 3.232 -1.139
68 H ASN 9 H ASN 9 -1.146 4.501 0.615
69 HA ASN 9 HA ASN 9 1.578 5.343 0.682
70 HB2 ASN 9 HB2 ASN 9 -0.471 6.157 1.975
71 HB3 ASN 9 HB3 ASN 9 -0.128 4.857 3.115
72 HD21 ASN 9 HD21 ASN 9 -0.155 7.054 4.460
73 HD22 ASN 9 HD22 ASN 9 1.422 7.771 4.699
74 H GLY 10 H GLY 10 0.073 2.434 2.184
75 HA2 GLY 10 HA2 GLY 10 2.250 1.396 3.610
76 HA3 GLY 10 HA3 GLY 10 0.994 0.410 2.846
77 H HIS 11 H HIS 11 1.458 0.568 0.185
78 HA HIS 11 HA HIS 11 3.829 -1.005 -0.276
79 HB2 HIS 11 HB3 HIS 11 1.729 0.276 -2.048
80 HB3 HIS 11 HB2 HIS 11 3.128 -0.557 -2.741
81 HD1 HIS 11 HD1 HIS 11 -0.044 -1.405 -0.564
82 HD2 HIS 11 HD2 HIS 11 3.084 -3.131 -2.925
83 HE1 HIS 11 HE1 HIS 11 -0.507 -3.904 -0.977
84 H ASN 12 H ASN 12 3.123 2.504 -0.837
85 HA ASN 12 HA ASN 12 5.427 3.132 -2.366
86 HB2 ASN 12 HB3 ASN 12 3.388 4.537 -2.063
87 HB3 ASN 12 HB2 ASN 12 3.947 4.940 -0.435
88 HD21 ASN 12 HD21 ASN 12 4.624 5.395 -3.924
89 HD22 ASN 12 HD22 ASN 12 5.624 6.815 -3.717
90 H SER 13 H SER 13 5.200 2.775 1.191
91 HA SER 13 HA SER 13 8.022 3.600 1.490
92 HB2 SER 13 HB3 SER 13 5.706 3.442 3.404
93 HB3 SER 13 HB2 SER 13 7.371 3.373 4.026
94 HG SER 13 HG SER 13 6.565 5.539 3.884
95 H SER 14 H SER 14 5.965 0.682 2.313
96 HA SER 14 HA SER 14 8.258 -0.718 3.327
97 HB2 SER 14 HB3 SER 14 5.998 -1.241 4.084
98 HB3 SER 14 HB2 SER 14 5.676 -2.013 2.517
99 HG SER 14 HG SER 14 6.394 -3.519 4.118
100 H SER 15 H SER 15 6.711 -0.952 0.075
101 HA SER 15 HA SER 15 8.663 -2.839 -0.911
102 HB2 SER 15 HB3 SER 15 6.368 -2.361 -1.873
103 HB3 SER 15 HB2 SER 15 7.035 -0.853 -2.537
104 HG SER 15 HG SER 15 7.125 -2.604 -4.046
105 H SER 16 H SER 16 9.040 0.596 -0.239
106 HA SER 16 HA SER 16 11.224 0.987 -2.189
107 HB2 SER 16 HB3 SER 16 9.567 2.795 -1.742
108 HB3 SER 16 HB2 SER 16 10.104 2.848 -0.047
109 HG SER 16 HG SER 16 11.155 4.434 -1.362
110 H LEU 17 H LEU 17 13.220 0.323 -1.761
111 HA LEU 17 HA LEU 17 14.084 -0.503 0.903
112 HB2 LEU 17 HB2 LEU 17 15.275 -0.444 -1.866
113 HB3 LEU 17 HB3 LEU 17 16.291 -0.827 -0.474
114 HG LEU 17 HG LEU 17 15.487 -2.772 -1.742
115 HD11 LEU 17 HD11 LEU 17 16.181 -2.945 0.627
116 HD12 LEU 17 HD12 LEU 17 14.464 -2.884 1.094
117 HD13 LEU 17 HD13 LEU 17 15.067 -4.225 0.090
118 HD21 LEU 17 HD21 LEU 17 13.193 -2.064 -2.346
119 HD22 LEU 17 HD22 LEU 17 13.303 -3.705 -1.666
120 HD23 LEU 17 HD23 LEU 17 12.700 -2.364 -0.662
Start of MODEL 26
1 H1 ASN 1 H1 ASN 1 -7.842 -4.211 4.769
2 H2 ASN 1 H2 ASN 1 -9.098 -4.773 5.678
3 H3 ASN 1 H3 ASN 1 -9.295 -3.431 4.741
4 HA ASN 1 HA ASN 1 -8.831 -6.169 3.807
5 HB2 ASN 1 HB3 ASN 1 -11.107 -5.487 4.797
6 HB3 ASN 1 HB2 ASN 1 -11.284 -4.441 3.384
7 HD21 ASN 1 HD21 ASN 1 -11.780 -8.528 2.991
8 HD22 ASN 1 HD22 ASN 1 -10.991 -7.872 4.408
9 H VAL 2 H VAL 2 -8.944 -6.501 1.530
10 HA VAL 2 HA VAL 2 -7.382 -4.629 0.017
11 HB VAL 2 HB VAL 2 -8.730 -7.153 -0.933
12 HG11 VAL 2 HG11 VAL 2 -8.088 -5.674 -2.840
13 HG12 VAL 2 HG12 VAL 2 -6.403 -5.724 -2.268
14 HG13 VAL 2 HG13 VAL 2 -7.205 -7.218 -2.808
15 HG21 VAL 2 HG21 VAL 2 -7.070 -7.565 0.887
16 HG22 VAL 2 HG22 VAL 2 -6.621 -8.304 -0.669
17 HG23 VAL 2 HG23 VAL 2 -5.818 -6.809 -0.129
18 H HIS 3 H HIS 3 -10.854 -5.529 -0.366
19 HA HIS 3 HA HIS 3 -11.376 -3.893 -2.626
20 HB2 HIS 3 HB3 HIS 3 -12.700 -5.858 -1.520
21 HB3 HIS 3 HB2 HIS 3 -13.522 -4.558 -0.632
22 HD1 HIS 3 HD1 HIS 3 -12.823 -5.564 -4.374
23 HD2 HIS 3 HD2 HIS 3 -15.460 -3.302 -1.855
24 HE1 HIS 3 HE1 HIS 3 -14.789 -4.623 -5.745
25 H THR 4 H THR 4 -11.892 -3.099 0.818
26 HA THR 4 HA THR 4 -12.915 -0.437 0.228
27 HB THR 4 HB THR 4 -12.875 -0.228 2.760
28 HG1 THR 4 HG1 THR 4 -12.627 -2.131 3.940
29 HG21 THR 4 HG21 THR 4 -14.800 -1.702 3.166
30 HG22 THR 4 HG22 THR 4 -14.492 -2.528 1.621
31 HG23 THR 4 HG23 THR 4 -14.957 -0.810 1.634
32 H PHE 5 H PHE 5 -10.128 -1.432 2.287
33 HA PHE 5 HA PHE 5 -8.820 1.163 1.969
34 HB2 PHE 5 HB3 PHE 5 -7.888 -1.394 3.332
35 HB3 PHE 5 HB2 PHE 5 -7.010 0.136 3.352
36 HD1 PHE 5 HD1 PHE 5 -10.236 -1.477 4.371
37 HD2 PHE 5 HD2 PHE 5 -7.402 1.676 5.131
38 HE1 PHE 5 HE1 PHE 5 -11.405 -0.942 6.509
39 HE2 PHE 5 HE2 PHE 5 -8.554 2.187 7.264
40 HZ PHE 5 HZ PHE 5 -10.546 0.885 7.953
41 H ARG 6 H ARG 6 -7.370 1.757 0.508
42 HA ARG 6 HA ARG 6 -6.412 -0.143 -1.526
43 HB2 ARG 6 HB3 ARG 6 -7.311 2.465 -1.571
44 HB3 ARG 6 HB2 ARG 6 -5.561 2.682 -1.659
45 HG2 ARG 6 HG2 ARG 6 -6.256 2.674 -3.892
46 HG3 ARG 6 HG3 ARG 6 -5.590 1.054 -3.638
47 HD2 ARG 6 HD2 ARG 6 -7.888 0.145 -3.415
48 HD3 ARG 6 HD3 ARG 6 -8.558 1.773 -3.655
49 HE ARG 6 HE ARG 6 -6.847 1.190 -5.856
50 HH11 ARG 6 HH11 ARG 6 -7.640 0.558 -7.823
51 HH12 ARG 6 HH12 ARG 6 -9.238 -0.136 -7.978
52 HH21 ARG 6 HH21 ARG 6 -10.015 0.045 -4.595
53 HH22 ARG 6 HH22 ARG 6 -10.554 -0.422 -6.192
54 H GLY 7 H GLY 7 -4.738 2.564 0.090
55 HA2 GLY 7 HA3 GLY 7 -2.799 2.413 1.508
56 HA3 GLY 7 HA2 GLY 7 -2.465 0.795 0.860
57 H ILE 8 H ILE 8 -2.804 4.164 -0.358
58 HA ILE 8 HA ILE 8 -0.979 3.843 -2.563
59 HB ILE 8 HB ILE 8 -2.054 6.328 -1.204
60 HG12 ILE 8 HG13 ILE 8 -3.472 6.228 -3.513
61 HG13 ILE 8 HG12 ILE 8 -3.289 4.499 -3.191
62 HG21 ILE 8 HG21 ILE 8 -0.054 6.794 -2.596
63 HG22 ILE 8 HG22 ILE 8 -0.908 6.123 -4.006
64 HG23 ILE 8 HG23 ILE 8 -1.530 7.584 -3.201
65 HD11 ILE 8 HD11 ILE 8 -5.302 6.101 -2.190
66 HD12 ILE 8 HD12 ILE 8 -4.812 4.524 -1.525
67 HD13 ILE 8 HD13 ILE 8 -4.162 6.025 -0.823
68 H ASN 9 H ASN 9 -0.636 5.726 0.462
69 HA ASN 9 HA ASN 9 2.154 6.204 0.304
70 HB2 ASN 9 HB2 ASN 9 0.318 7.339 1.669
71 HB3 ASN 9 HB3 ASN 9 0.602 6.087 2.879
72 HD21 ASN 9 HD21 ASN 9 0.925 8.357 4.053
73 HD22 ASN 9 HD22 ASN 9 2.586 8.900 4.123
74 H GLY 10 H GLY 10 0.459 3.586 2.134
75 HA2 GLY 10 HA2 GLY 10 2.756 2.415 3.354
76 HA3 GLY 10 HA3 GLY 10 1.258 1.550 2.955
77 H HIS 11 H HIS 11 1.183 1.357 0.203
78 HA HIS 11 HA HIS 11 3.113 -0.566 -0.533
79 HB2 HIS 11 HB3 HIS 11 1.401 1.312 -2.197
80 HB3 HIS 11 HB2 HIS 11 2.392 0.044 -2.902
81 HD1 HIS 11 HD1 HIS 11 -0.310 -0.421 -3.913
82 HD2 HIS 11 HD2 HIS 11 0.794 -1.404 0.100
83 HE1 HIS 11 HE1 HIS 11 -2.100 -1.932 -2.838
84 H ASN 12 H ASN 12 3.361 3.063 -0.894
85 HA ASN 12 HA ASN 12 5.776 2.819 -2.483
86 HB2 ASN 12 HB3 ASN 12 4.606 5.202 -1.060
87 HB3 ASN 12 HB2 ASN 12 6.207 5.252 -1.814
88 HD21 ASN 12 HD21 ASN 12 2.973 5.898 -4.138
89 HD22 ASN 12 HD22 ASN 12 2.933 5.928 -2.390
90 H SER 13 H SER 13 5.128 2.958 1.007
91 HA SER 13 HA SER 13 7.844 2.949 1.989
92 HB2 SER 13 HB3 SER 13 5.487 3.380 3.169
93 HB3 SER 13 HB2 SER 13 5.639 1.652 3.559
94 HG SER 13 HG SER 13 6.601 3.013 5.163
95 H SER 14 H SER 14 6.206 0.810 0.289
96 HA SER 14 HA SER 14 6.412 -1.108 -0.780
97 HB2 SER 14 HB3 SER 14 8.749 -0.708 -0.570
98 HB3 SER 14 HB2 SER 14 8.759 -1.525 1.001
99 HG SER 14 HG SER 14 9.476 -2.881 -0.706
100 H SER 15 H SER 15 4.674 -0.551 0.901
101 HA SER 15 HA SER 15 3.025 -1.116 2.195
102 HB2 SER 15 HB2 SER 15 2.556 -2.327 0.369
103 HB3 SER 15 HB3 SER 15 3.795 -3.551 0.699
104 HG SER 15 HG SER 15 1.662 -4.315 1.111
105 H SER 16 H SER 16 5.415 -0.395 3.312
106 HA SER 16 HA SER 16 5.917 -2.134 5.647
107 HB2 SER 16 HB3 SER 16 7.803 -1.035 4.407
108 HB3 SER 16 HB2 SER 16 7.196 0.541 4.962
109 HG SER 16 HG SER 16 8.841 -0.316 6.348
110 H LEU 17 H LEU 17 4.741 -2.008 7.436
111 HA LEU 17 HA LEU 17 2.901 0.198 7.964
112 HB2 LEU 17 HB2 LEU 17 3.628 -2.415 9.278
113 HB3 LEU 17 HB3 LEU 17 2.598 -1.260 10.127
114 HG LEU 17 HG LEU 17 1.407 -3.089 8.996
115 HD11 LEU 17 HD11 LEU 17 0.309 -0.940 9.540
116 HD12 LEU 17 HD12 LEU 17 0.564 -0.427 7.856
117 HD13 LEU 17 HD13 LEU 17 -0.457 -1.842 8.211
118 HD21 LEU 17 HD21 LEU 17 2.737 -3.347 6.926
119 HD22 LEU 17 HD22 LEU 17 1.998 -1.849 6.311
120 HD23 LEU 17 HD23 LEU 17 0.979 -3.264 6.665
Start of MODEL 27
1 H1 ASN 1 H1 ASN 1 -15.133 0.610 3.166
2 H2 ASN 1 H2 ASN 1 -15.341 1.125 1.614
3 H3 ASN 1 H3 ASN 1 -15.051 2.219 2.813
4 HA ASN 1 HA ASN 1 -13.216 0.192 1.764
5 HB2 ASN 1 HB3 ASN 1 -13.851 2.291 0.460
6 HB3 ASN 1 HB2 ASN 1 -12.952 3.198 1.682
7 HD21 ASN 1 HD21 ASN 1 -10.994 3.836 0.895
8 HD22 ASN 1 HD22 ASN 1 -9.950 2.867 -0.120
9 H VAL 2 H VAL 2 -13.957 1.047 4.702
10 HA VAL 2 HA VAL 2 -11.431 1.875 5.858
11 HB VAL 2 HB VAL 2 -13.919 0.866 7.239
12 HG11 VAL 2 HG11 VAL 2 -11.900 0.658 8.684
13 HG12 VAL 2 HG12 VAL 2 -11.627 2.407 8.502
14 HG13 VAL 2 HG13 VAL 2 -13.101 1.815 9.306
15 HG21 VAL 2 HG21 VAL 2 -14.307 2.992 5.990
16 HG22 VAL 2 HG22 VAL 2 -14.490 3.161 7.753
17 HG23 VAL 2 HG23 VAL 2 -13.016 3.755 6.949
18 H HIS 3 H HIS 3 -13.237 -1.245 6.059
19 HA HIS 3 HA HIS 3 -11.067 -2.726 7.206
20 HB2 HIS 3 HB3 HIS 3 -13.651 -3.147 7.173
21 HB3 HIS 3 HB2 HIS 3 -13.298 -4.043 5.681
22 HD1 HIS 3 HD1 HIS 3 -12.154 -4.052 9.449
23 HD2 HIS 3 HD2 HIS 3 -12.416 -6.493 5.927
24 HE1 HIS 3 HE1 HIS 3 -11.471 -6.478 9.980
25 H THR 4 H THR 4 -12.209 -2.579 3.820
26 HA THR 4 HA THR 4 -10.245 -4.411 2.780
27 HB THR 4 HB THR 4 -11.065 -3.496 0.552
28 HG1 THR 4 HG1 THR 4 -13.000 -2.180 2.155
29 HG21 THR 4 HG21 THR 4 -13.274 -4.571 0.635
30 HG22 THR 4 HG22 THR 4 -12.024 -5.556 1.432
31 HG23 THR 4 HG23 THR 4 -13.180 -4.622 2.412
32 H PHE 5 H PHE 5 -10.599 -0.927 1.979
33 HA PHE 5 HA PHE 5 -9.189 0.723 1.501
34 HB2 PHE 5 HB3 PHE 5 -7.438 1.300 2.902
35 HB3 PHE 5 HB2 PHE 5 -8.656 0.470 3.859
36 HD1 PHE 5 HD1 PHE 5 -5.283 0.073 2.257
37 HD2 PHE 5 HD2 PHE 5 -8.017 -1.383 5.253
38 HE1 PHE 5 HE1 PHE 5 -3.468 -1.298 3.243
39 HE2 PHE 5 HE2 PHE 5 -6.207 -2.760 6.226
40 HZ PHE 5 HZ PHE 5 -3.931 -2.716 5.234
41 H ARG 6 H ARG 6 -7.533 1.610 0.279
42 HA ARG 6 HA ARG 6 -6.477 -0.192 -1.771
43 HB2 ARG 6 HB2 ARG 6 -7.500 2.237 -1.955
44 HB3 ARG 6 HB3 ARG 6 -5.832 2.741 -1.674
45 HG2 ARG 6 HG3 ARG 6 -6.743 0.936 -3.951
46 HG3 ARG 6 HG2 ARG 6 -6.494 2.685 -4.079
47 HD2 ARG 6 HD3 ARG 6 -4.074 2.276 -3.351
48 HD3 ARG 6 HD2 ARG 6 -4.395 0.545 -3.577
49 HE ARG 6 HE ARG 6 -5.184 1.682 -5.980
50 HH11 ARG 6 HH11 ARG 6 -3.896 1.908 -7.764
51 HH12 ARG 6 HH12 ARG 6 -2.155 2.010 -7.621
52 HH21 ARG 6 HH21 ARG 6 -1.148 1.917 -5.623
53 HH22 ARG 6 HH22 ARG 6 -2.083 1.739 -4.155
54 H GLY 7 H GLY 7 -4.831 2.441 -0.029
55 HA2 GLY 7 HA3 GLY 7 -2.903 2.272 1.373
56 HA3 GLY 7 HA2 GLY 7 -2.577 0.658 0.719
57 H ILE 8 H ILE 8 -2.860 4.025 -0.514
58 HA ILE 8 HA ILE 8 -0.909 3.696 -2.624
59 HB ILE 8 HB ILE 8 -2.114 6.183 -1.377
60 HG12 ILE 8 HG13 ILE 8 -3.365 6.024 -3.781
61 HG13 ILE 8 HG12 ILE 8 -3.186 4.305 -3.407
62 HG21 ILE 8 HG21 ILE 8 -0.036 6.669 -2.643
63 HG22 ILE 8 HG22 ILE 8 -0.785 5.966 -4.096
64 HG23 ILE 8 HG23 ILE 8 -1.483 7.424 -3.352
65 HD11 ILE 8 HD11 ILE 8 -5.374 5.145 -2.667
66 HD12 ILE 8 HD12 ILE 8 -4.393 4.621 -1.277
67 HD13 ILE 8 HD13 ILE 8 -4.574 6.355 -1.636
68 H ASN 9 H ASN 9 -0.819 5.611 0.402
69 HA ASN 9 HA ASN 9 1.968 6.172 0.425
70 HB2 ASN 9 HB2 ASN 9 0.019 7.294 1.630
71 HB3 ASN 9 HB3 ASN 9 0.224 6.065 2.877
72 HD21 ASN 9 HD21 ASN 9 2.065 8.926 4.230
73 HD22 ASN 9 HD22 ASN 9 0.422 8.358 4.036
74 H GLY 10 H GLY 10 0.193 3.573 2.177
75 HA2 GLY 10 HA2 GLY 10 2.314 2.450 3.653
76 HA3 GLY 10 HA3 GLY 10 0.919 1.545 3.045
77 H HIS 11 H HIS 11 1.305 1.468 0.316
78 HA HIS 11 HA HIS 11 3.416 -0.453 -0.063
79 HB2 HIS 11 HB3 HIS 11 1.417 0.960 -1.820
80 HB3 HIS 11 HB2 HIS 11 2.757 0.085 -2.580
81 HD1 HIS 11 HD1 HIS 11 2.425 -2.612 -2.791
82 HD2 HIS 11 HD2 HIS 11 -0.169 -0.470 -0.152
83 HE1 HIS 11 HE1 HIS 11 0.572 -4.170 -1.898
84 H ASN 12 H ASN 12 3.235 3.079 -0.816
85 HA ASN 12 HA ASN 12 5.548 3.312 -2.415
86 HB2 ASN 12 HB3 ASN 12 3.715 4.994 -2.022
87 HB3 ASN 12 HB2 ASN 12 4.495 5.394 -0.486
88 HD21 ASN 12 HD21 ASN 12 6.155 6.925 -0.476
89 HD22 ASN 12 HD22 ASN 12 6.840 7.620 -1.927
90 H SER 13 H SER 13 5.490 2.925 1.134
91 HA SER 13 HA SER 13 8.447 3.218 1.150
92 HB2 SER 13 HB3 SER 13 6.395 4.273 2.994
93 HB3 SER 13 HB2 SER 13 7.807 3.537 3.785
94 HG SER 13 HG SER 13 8.133 5.775 3.287
95 H SER 14 H SER 14 5.784 1.069 2.406
96 HA SER 14 HA SER 14 7.673 -0.646 3.737
97 HB2 SER 14 HB3 SER 14 5.347 -0.474 4.460
98 HB3 SER 14 HB2 SER 14 4.849 -1.369 3.009
99 HG SER 14 HG SER 14 5.143 -2.747 4.844
100 H SER 15 H SER 15 6.155 -0.968 0.487
101 HA SER 15 HA SER 15 7.516 -3.444 -0.122
102 HB2 SER 15 HB3 SER 15 6.391 -1.339 -2.011
103 HB3 SER 15 HB2 SER 15 6.837 -3.001 -2.446
104 HG SER 15 HG SER 15 4.576 -2.767 -2.043
105 H SER 16 H SER 16 8.907 -0.273 0.179
106 HA SER 16 HA SER 16 10.893 -0.505 -1.955
107 HB2 SER 16 HB3 SER 16 10.689 1.422 0.398
108 HB3 SER 16 HB2 SER 16 11.847 1.556 -0.942
109 HG SER 16 HG SER 16 9.961 2.853 -1.267
110 H LEU 17 H LEU 17 12.758 -1.581 -1.894
111 HA LEU 17 HA LEU 17 13.611 -3.028 0.463
112 HB2 LEU 17 HB2 LEU 17 14.543 -2.765 -2.371
113 HB3 LEU 17 HB3 LEU 17 15.578 -3.573 -1.191
114 HG LEU 17 HG LEU 17 14.198 -5.057 -2.607
115 HD11 LEU 17 HD21 LEU 17 15.136 -5.786 -0.435
116 HD12 LEU 17 HD22 LEU 17 13.692 -6.689 -0.950
117 HD13 LEU 17 HD23 LEU 17 13.560 -5.447 0.318
118 HD21 LEU 17 HD11 LEU 17 12.071 -3.792 -2.706
119 HD22 LEU 17 HD12 LEU 17 11.883 -5.513 -2.291
120 HD23 LEU 17 HD13 LEU 17 11.752 -4.271 -1.022
Start of MODEL 28
1 H1 ASN 1 H1 ASN 1 -9.145 6.787 -2.700
2 H2 ASN 1 H2 ASN 1 -10.398 5.902 -3.304
3 H3 ASN 1 H3 ASN 1 -9.526 5.330 -2.027
4 HA ASN 1 HA ASN 1 -11.270 7.688 -2.046
5 HB2 ASN 1 HB3 ASN 1 -12.254 5.313 -2.098
6 HB3 ASN 1 HB2 ASN 1 -11.591 5.118 -0.471
7 HD21 ASN 1 HD21 ASN 1 -14.004 6.924 -2.409
8 HD22 ASN 1 HD22 ASN 1 -15.010 7.369 -1.049
9 H VAL 2 H VAL 2 -11.611 8.707 0.013
10 HA VAL 2 HA VAL 2 -9.131 8.979 1.540
11 HB VAL 2 HB VAL 2 -11.655 10.619 1.721
12 HG11 VAL 2 HG21 VAL 2 -10.320 10.739 3.826
13 HG12 VAL 2 HG22 VAL 2 -8.934 11.326 2.878
14 HG13 VAL 2 HG23 VAL 2 -10.426 12.293 2.963
15 HG21 VAL 2 HG11 VAL 2 -10.483 10.873 -0.469
16 HG22 VAL 2 HG12 VAL 2 -9.027 11.403 0.407
17 HG23 VAL 2 HG13 VAL 2 -10.520 12.369 0.493
18 H HIS 3 H HIS 3 -12.557 8.381 2.565
19 HA HIS 3 HA HIS 3 -11.914 7.783 5.266
20 HB2 HIS 3 HB3 HIS 3 -14.160 8.423 4.116
21 HB3 HIS 3 HB2 HIS 3 -14.369 6.668 3.938
22 HD1 HIS 3 HD1 HIS 3 -13.715 9.265 6.826
23 HD2 HIS 3 HD2 HIS 3 -15.265 5.346 6.010
24 HE1 HIS 3 HE1 HIS 3 -14.768 8.252 8.947
25 H THR 4 H THR 4 -12.473 5.481 2.592
26 HA THR 4 HA THR 4 -11.794 3.179 4.258
27 HB THR 4 HB THR 4 -12.102 1.937 2.043
28 HG1 THR 4 HG1 THR 4 -11.923 3.805 0.686
29 HG21 THR 4 HG21 THR 4 -14.557 2.020 2.102
30 HG22 THR 4 HG22 THR 4 -13.854 1.901 3.733
31 HG23 THR 4 HG23 THR 4 -14.481 3.460 3.145
32 H PHE 5 H PHE 5 -10.453 4.222 1.074
33 HA PHE 5 HA PHE 5 -8.360 4.334 0.227
34 HB2 PHE 5 HB2 PHE 5 -7.795 5.546 2.349
35 HB3 PHE 5 HB3 PHE 5 -7.144 4.032 2.972
36 HD1 PHE 5 HD1 PHE 5 -6.573 6.905 0.809
37 HD2 PHE 5 HD2 PHE 5 -5.009 3.161 2.255
38 HE1 PHE 5 HE1 PHE 5 -4.281 7.665 0.275
39 HE2 PHE 5 HE2 PHE 5 -2.706 3.945 1.763
40 HZ PHE 5 HZ PHE 5 -2.351 6.222 0.793
41 H ARG 6 H ARG 6 -6.998 3.058 -0.799
42 HA ARG 6 HA ARG 6 -7.261 0.152 -0.432
43 HB2 ARG 6 HB3 ARG 6 -7.183 1.856 -2.600
44 HB3 ARG 6 HB2 ARG 6 -5.534 1.223 -2.581
45 HG2 ARG 6 HG2 ARG 6 -6.668 -0.191 -4.050
46 HG3 ARG 6 HG3 ARG 6 -6.582 -1.118 -2.545
47 HD2 ARG 6 HD2 ARG 6 -8.943 -0.530 -2.050
48 HD3 ARG 6 HD3 ARG 6 -9.024 0.414 -3.554
49 HE ARG 6 HE ARG 6 -8.164 -2.229 -4.199
50 HH11 ARG 6 HH11 ARG 6 -12.181 -1.863 -3.767
51 HH12 ARG 6 HH12 ARG 6 -11.172 -0.627 -3.047
52 HH21 ARG 6 HH21 ARG 6 -11.277 -3.578 -4.882
53 HH22 ARG 6 HH22 ARG 6 -9.543 -3.728 -5.064
54 H GLY 7 H GLY 7 -4.382 2.012 -1.399
55 HA2 GLY 7 HA3 GLY 7 -2.783 1.812 0.896
56 HA3 GLY 7 HA2 GLY 7 -2.535 0.295 0.015
57 H ILE 8 H ILE 8 -2.799 3.764 -0.855
58 HA ILE 8 HA ILE 8 -0.772 3.631 -2.929
59 HB ILE 8 HB ILE 8 -2.175 5.970 -1.604
60 HG12 ILE 8 HG13 ILE 8 -3.299 5.863 -4.080
61 HG13 ILE 8 HG12 ILE 8 -3.034 4.141 -3.776
62 HG21 ILE 8 HG21 ILE 8 -0.073 6.651 -2.731
63 HG22 ILE 8 HG22 ILE 8 -1.527 7.357 -3.476
64 HG23 ILE 8 HG23 ILE 8 -0.702 5.987 -4.258
65 HD11 ILE 8 HD11 ILE 8 -5.301 4.817 -3.104
66 HD12 ILE 8 HD12 ILE 8 -4.623 6.021 -1.984
67 HD13 ILE 8 HD13 ILE 8 -4.356 4.286 -1.693
68 H ASN 9 H ASN 9 -0.900 5.364 0.208
69 HA ASN 9 HA ASN 9 1.870 6.000 0.392
70 HB2 ASN 9 HB2 ASN 9 -0.158 7.019 1.561
71 HB3 ASN 9 HB3 ASN 9 0.010 5.725 2.747
72 HD21 ASN 9 HD21 ASN 9 1.713 8.543 4.348
73 HD22 ASN 9 HD22 ASN 9 0.095 7.956 4.035
74 H GLY 10 H GLY 10 0.071 3.268 1.906
75 HA2 GLY 10 HA2 GLY 10 2.133 2.116 3.439
76 HA3 GLY 10 HA3 GLY 10 0.804 1.211 2.697
77 H HIS 11 H HIS 11 1.350 1.295 -0.003
78 HA HIS 11 HA HIS 11 3.538 -0.544 -0.356
79 HB2 HIS 11 HB3 HIS 11 1.606 0.914 -2.149
80 HB3 HIS 11 HB2 HIS 11 3.014 0.122 -2.875
81 HD1 HIS 11 HD1 HIS 11 2.777 -2.568 -3.259
82 HD2 HIS 11 HD2 HIS 11 -0.035 -0.649 -0.671
83 HE1 HIS 11 HE1 HIS 11 0.921 -4.223 -2.570
84 H ASN 12 H ASN 12 3.295 3.019 -0.928
85 HA ASN 12 HA ASN 12 5.696 3.400 -2.365
86 HB2 ASN 12 HB3 ASN 12 3.809 5.015 -2.030
87 HB3 ASN 12 HB2 ASN 12 4.431 5.333 -0.406
88 HD21 ASN 12 HD21 ASN 12 5.125 5.734 -3.901
89 HD22 ASN 12 HD22 ASN 12 6.281 7.030 -3.692
90 H SER 13 H SER 13 5.437 2.800 1.142
91 HA SER 13 HA SER 13 8.375 3.184 1.360
92 HB2 SER 13 HB3 SER 13 6.185 4.077 3.127
93 HB3 SER 13 HB2 SER 13 7.566 3.333 3.966
94 HG SER 13 HG SER 13 7.856 5.603 3.616
95 H SER 14 H SER 14 5.712 0.895 2.330
96 HA SER 14 HA SER 14 7.570 -0.844 3.674
97 HB2 SER 14 HB3 SER 14 5.202 -0.778 4.267
98 HB3 SER 14 HB2 SER 14 4.816 -1.598 2.740
99 HG SER 14 HG SER 14 5.043 -3.071 4.505
100 H SER 15 H SER 15 6.254 -1.019 0.328
101 HA SER 15 HA SER 15 7.726 -3.418 -0.336
102 HB2 SER 15 HB3 SER 15 6.642 -1.242 -2.170
103 HB3 SER 15 HB2 SER 15 7.166 -2.863 -2.669
104 HG SER 15 HG SER 15 4.879 -2.719 -2.387
105 H SER 16 H SER 16 8.994 -0.229 0.221
106 HA SER 16 HA SER 16 11.104 -0.283 -1.803
107 HB2 SER 16 HB3 SER 16 10.697 1.505 0.634
108 HB3 SER 16 HB2 SER 16 11.928 1.748 -0.624
109 HG SER 16 HG SER 16 10.021 3.003 -0.992
110 H LEU 17 H LEU 17 12.997 -1.305 -1.685
111 HA LEU 17 HA LEU 17 13.788 -2.828 0.674
112 HB2 LEU 17 HB2 LEU 17 14.830 -2.406 -2.121
113 HB3 LEU 17 HB3 LEU 17 15.832 -3.240 -0.931
114 HG LEU 17 HG LEU 17 14.583 -4.696 -2.482
115 HD11 LEU 17 HD11 LEU 17 15.425 -5.492 -0.294
116 HD12 LEU 17 HD12 LEU 17 13.796 -5.243 0.380
117 HD13 LEU 17 HD13 LEU 17 14.047 -6.420 -0.933
118 HD21 LEU 17 HD21 LEU 17 12.423 -3.500 -2.651
119 HD22 LEU 17 HD22 LEU 17 12.274 -5.244 -2.325
120 HD23 LEU 17 HD23 LEU 17 12.023 -4.069 -1.012
Start of MODEL 29
1 H1 ASN 1 H1 ASN 1 -8.197 -3.487 5.532
2 H2 ASN 1 H2 ASN 1 -9.743 -3.527 6.106
3 H3 ASN 1 H3 ASN 1 -9.299 -2.376 5.011
4 HA ASN 1 HA ASN 1 -9.467 -5.269 4.543
5 HB2 ASN 1 HB3 ASN 1 -11.590 -3.833 4.796
6 HB3 ASN 1 HB2 ASN 1 -11.110 -3.052 3.285
7 HD21 ASN 1 HD21 ASN 1 -12.721 -6.864 3.201
8 HD22 ASN 1 HD22 ASN 1 -12.099 -6.208 4.699
9 H VAL 2 H VAL 2 -9.166 -5.946 2.350
10 HA VAL 2 HA VAL 2 -6.969 -4.513 1.011
11 HB VAL 2 HB VAL 2 -7.961 -7.327 0.554
12 HG11 VAL 2 HG11 VAL 2 -6.844 -6.403 -1.477
13 HG12 VAL 2 HG12 VAL 2 -5.972 -7.774 -0.749
14 HG13 VAL 2 HG13 VAL 2 -5.383 -6.112 -0.504
15 HG21 VAL 2 HG21 VAL 2 -6.865 -7.025 2.779
16 HG22 VAL 2 HG22 VAL 2 -5.984 -8.130 1.699
17 HG23 VAL 2 HG23 VAL 2 -5.394 -6.470 1.944
18 H HIS 3 H HIS 3 -10.129 -5.928 -0.038
19 HA HIS 3 HA HIS 3 -10.042 -4.968 -2.701
20 HB2 HIS 3 HB3 HIS 3 -11.521 -6.764 -1.516
21 HB3 HIS 3 HB2 HIS 3 -12.649 -5.412 -1.279
22 HD1 HIS 3 HD1 HIS 3 -10.798 -7.205 -4.257
23 HD2 HIS 3 HD2 HIS 3 -14.187 -4.752 -3.291
24 HE1 HIS 3 HE1 HIS 3 -12.304 -6.893 -6.322
25 H THR 4 H THR 4 -11.664 -3.436 0.093
26 HA THR 4 HA THR 4 -12.524 -1.135 -1.469
27 HB THR 4 HB THR 4 -13.280 -0.289 0.803
28 HG1 THR 4 HG1 THR 4 -11.884 -1.644 2.059
29 HG21 THR 4 HG21 THR 4 -15.205 -1.805 1.002
30 HG22 THR 4 HG22 THR 4 -14.409 -2.956 -0.097
31 HG23 THR 4 HG23 THR 4 -14.888 -1.347 -0.689
32 H PHE 5 H PHE 5 -10.468 -1.275 1.502
33 HA PHE 5 HA PHE 5 -9.242 1.301 0.879
34 HB2 PHE 5 HB3 PHE 5 -8.644 -0.702 3.084
35 HB3 PHE 5 HB2 PHE 5 -7.870 0.874 2.922
36 HD1 PHE 5 HD1 PHE 5 -9.053 2.954 3.473
37 HD2 PHE 5 HD2 PHE 5 -11.023 -0.867 3.849
38 HE1 PHE 5 HE1 PHE 5 -10.832 3.990 4.849
39 HE2 PHE 5 HE2 PHE 5 -12.805 0.186 5.218
40 HZ PHE 5 HZ PHE 5 -12.696 2.615 5.724
41 H ARG 6 H ARG 6 -7.475 1.700 -0.274
42 HA ARG 6 HA ARG 6 -5.891 -0.509 -1.382
43 HB2 ARG 6 HB2 ARG 6 -6.800 1.636 -2.576
44 HB3 ARG 6 HB3 ARG 6 -5.335 2.396 -1.944
45 HG2 ARG 6 HG3 ARG 6 -5.210 -0.142 -3.599
46 HG3 ARG 6 HG2 ARG 6 -5.320 1.455 -4.358
47 HD2 ARG 6 HD2 ARG 6 -3.226 2.151 -3.270
48 HD3 ARG 6 HD3 ARG 6 -3.114 0.585 -2.440
49 HE ARG 6 HE ARG 6 -3.252 -0.091 -5.128
50 HH11 ARG 6 HH11 ARG 6 -1.036 2.070 -3.294
51 HH12 ARG 6 HH12 ARG 6 0.292 1.738 -4.383
52 HH21 ARG 6 HH21 ARG 6 -1.489 -0.452 -6.418
53 HH22 ARG 6 HH22 ARG 6 0.039 0.342 -6.110
54 H GLY 7 H GLY 7 -4.846 2.609 -0.077
55 HA2 GLY 7 HA3 GLY 7 -3.392 2.969 1.811
56 HA3 GLY 7 HA2 GLY 7 -2.774 1.309 1.635
57 H ILE 8 H ILE 8 -3.067 4.311 -0.334
58 HA ILE 8 HA ILE 8 -0.967 3.934 -2.157
59 HB ILE 8 HB ILE 8 -2.112 6.475 -0.978
60 HG12 ILE 8 HG13 ILE 8 -3.278 6.352 -3.419
61 HG13 ILE 8 HG12 ILE 8 -3.141 4.625 -3.066
62 HG21 ILE 8 HG21 ILE 8 0.029 6.901 -2.156
63 HG22 ILE 8 HG22 ILE 8 -0.677 6.214 -3.637
64 HG23 ILE 8 HG23 ILE 8 -1.368 7.691 -2.924
65 HD11 ILE 8 HD11 ILE 8 -5.221 6.284 -2.271
66 HD12 ILE 8 HD12 ILE 8 -4.852 4.677 -1.600
67 HD13 ILE 8 HD13 ILE 8 -4.235 6.140 -0.797
68 H ASN 9 H ASN 9 -0.834 5.768 0.889
69 HA ASN 9 HA ASN 9 1.951 6.332 0.921
70 HB2 ASN 9 HB2 ASN 9 0.039 7.390 2.214
71 HB3 ASN 9 HB3 ASN 9 0.208 6.065 3.366
72 HD21 ASN 9 HD21 ASN 9 2.090 8.774 4.951
73 HD22 ASN 9 HD22 ASN 9 0.439 8.252 4.703
74 H GLY 10 H GLY 10 0.192 3.638 2.538
75 HA2 GLY 10 HA2 GLY 10 2.357 2.385 3.859
76 HA3 GLY 10 HA3 GLY 10 0.905 1.553 3.275
77 H HIS 11 H HIS 11 1.153 1.666 0.515
78 HA HIS 11 HA HIS 11 3.128 -0.309 -0.141
79 HB2 HIS 11 HB2 HIS 11 1.281 1.485 -1.733
80 HB3 HIS 11 HB3 HIS 11 2.439 0.436 -2.558
81 HD1 HIS 11 HD1 HIS 11 -0.862 0.222 -0.477
82 HD2 HIS 11 HD2 HIS 11 1.876 -2.101 -2.802
83 HE1 HIS 11 HE1 HIS 11 -1.955 -1.993 -1.187
84 H ASN 12 H ASN 12 3.163 3.296 -0.550
85 HA ASN 12 HA ASN 12 5.440 3.529 -2.201
86 HB2 ASN 12 HB2 ASN 12 3.735 5.270 -1.608
87 HB3 ASN 12 HB3 ASN 12 4.566 5.494 -0.063
88 HD21 ASN 12 HD21 ASN 12 6.966 7.729 -1.390
89 HD22 ASN 12 HD22 ASN 12 6.248 6.980 0.018
90 H SER 13 H SER 13 5.458 2.836 1.301
91 HA SER 13 HA SER 13 8.425 2.966 1.255
92 HB2 SER 13 HB3 SER 13 6.468 3.894 3.267
93 HB3 SER 13 HB2 SER 13 7.877 3.029 3.923
94 HG SER 13 HG SER 13 8.270 5.295 3.660
95 H SER 14 H SER 14 5.691 0.823 2.354
96 HA SER 14 HA SER 14 7.522 -1.115 3.431
97 HB2 SER 14 HB3 SER 14 5.224 -0.920 4.237
98 HB3 SER 14 HB2 SER 14 4.655 -1.643 2.718
99 HG SER 14 HG SER 14 4.938 -3.208 4.396
100 H SER 15 H SER 15 5.920 -1.008 0.206
101 HA SER 15 HA SER 15 7.145 -3.463 -0.700
102 HB2 SER 15 HB3 SER 15 6.102 -1.108 -2.323
103 HB3 SER 15 HB2 SER 15 6.470 -2.725 -2.953
104 HG SER 15 HG SER 15 4.225 -2.447 -2.484
105 H SER 16 H SER 16 8.704 -0.411 -0.092
106 HA SER 16 HA SER 16 10.650 -0.527 -2.273
107 HB2 SER 16 HB3 SER 16 10.570 1.161 0.263
108 HB3 SER 16 HB2 SER 16 11.721 1.370 -1.074
109 HG SER 16 HG SER 16 9.904 2.788 -1.238
110 H LEU 17 H LEU 17 12.455 -1.698 -2.349
111 HA LEU 17 HA LEU 17 13.293 -3.396 -0.128
112 HB2 LEU 17 HB2 LEU 17 14.156 -2.915 -2.973
113 HB3 LEU 17 HB3 LEU 17 15.172 -3.885 -1.902
114 HG LEU 17 HG LEU 17 13.697 -5.158 -3.416
115 HD11 LEU 17 HD11 LEU 17 14.628 -6.127 -1.336
116 HD12 LEU 17 HD12 LEU 17 13.136 -6.910 -1.908
117 HD13 LEU 17 HD13 LEU 17 13.079 -5.788 -0.529
118 HD21 LEU 17 HD21 LEU 17 11.634 -3.791 -3.363
119 HD22 LEU 17 HD22 LEU 17 11.312 -4.408 -1.725
120 HD23 LEU 17 HD23 LEU 17 11.370 -5.532 -3.105
Start of MODEL 30
1 H1 ASN 1 H1 ASN 1 -13.154 1.744 8.815
2 H2 ASN 1 H2 ASN 1 -13.340 3.179 9.605
3 H3 ASN 1 H3 ASN 1 -11.863 2.445 9.564
4 HA ASN 1 HA ASN 1 -13.332 3.634 7.332
5 HB2 ASN 1 HB3 ASN 1 -12.211 5.034 9.137
6 HB3 ASN 1 HB2 ASN 1 -10.671 4.462 8.487
7 HD21 ASN 1 HD21 ASN 1 -10.552 7.304 6.414
8 HD22 ASN 1 HD22 ASN 1 -9.773 6.305 7.620
9 H VAL 2 H VAL 2 -11.626 0.939 7.720
10 HA VAL 2 HA VAL 2 -9.548 0.962 5.790
11 HB VAL 2 HB VAL 2 -11.123 -1.409 6.790
12 HG11 VAL 2 HG21 VAL 2 -9.727 -1.955 4.793
13 HG12 VAL 2 HG22 VAL 2 -9.232 -2.818 6.268
14 HG13 VAL 2 HG23 VAL 2 -8.288 -1.422 5.695
15 HG21 VAL 2 HG11 VAL 2 -10.089 -0.121 8.665
16 HG22 VAL 2 HG12 VAL 2 -9.440 -1.768 8.487
17 HG23 VAL 2 HG13 VAL 2 -8.496 -0.372 7.914
18 H HIS 3 H HIS 3 -13.003 0.151 5.308
19 HA HIS 3 HA HIS 3 -12.980 -0.927 2.733
20 HB2 HIS 3 HB3 HIS 3 -14.856 -0.507 4.520
21 HB3 HIS 3 HB2 HIS 3 -15.155 0.970 3.581
22 HD1 HIS 3 HD1 HIS 3 -17.543 0.047 2.587
23 HD2 HIS 3 HD2 HIS 3 -14.012 -2.271 1.822
24 HE1 HIS 3 HE1 HIS 3 -18.015 -1.750 0.801
25 H THR 4 H THR 4 -12.999 2.549 3.515
26 HA THR 4 HA THR 4 -13.279 3.498 0.814
27 HB THR 4 HB THR 4 -12.500 5.689 1.864
28 HG1 THR 4 HG1 THR 4 -11.412 4.730 3.670
29 HG21 THR 4 HG21 THR 4 -14.575 6.101 3.116
30 HG22 THR 4 HG22 THR 4 -14.878 5.260 1.577
31 HG23 THR 4 HG23 THR 4 -14.923 4.356 3.109
32 H PHE 5 H PHE 5 -10.397 3.657 2.982
33 HA PHE 5 HA PHE 5 -8.584 4.302 0.831
34 HB2 PHE 5 HB2 PHE 5 -6.807 4.193 2.414
35 HB3 PHE 5 HB3 PHE 5 -8.140 5.185 2.940
36 HD1 PHE 5 HD1 PHE 5 -6.806 1.656 3.413
37 HD2 PHE 5 HD2 PHE 5 -8.670 5.120 5.190
38 HE1 PHE 5 HE1 PHE 5 -6.498 0.674 5.653
39 HE2 PHE 5 HE2 PHE 5 -8.323 4.138 7.439
40 HZ PHE 5 HZ PHE 5 -7.232 1.918 7.680
41 H ARG 6 H ARG 6 -7.029 3.164 -0.240
42 HA ARG 6 HA ARG 6 -7.297 0.204 -0.283
43 HB2 ARG 6 HB3 ARG 6 -7.301 2.062 -2.295
44 HB3 ARG 6 HB2 ARG 6 -5.596 1.602 -2.273
45 HG2 ARG 6 HG2 ARG 6 -6.440 0.188 -3.874
46 HG3 ARG 6 HG3 ARG 6 -6.463 -0.841 -2.439
47 HD2 ARG 6 HD3 ARG 6 -8.931 0.660 -3.369
48 HD3 ARG 6 HD2 ARG 6 -8.486 -0.922 -4.034
49 HE ARG 6 HE ARG 6 -8.693 -1.841 -1.723
50 HH11 ARG 6 HH11 ARG 6 -11.521 0.975 -1.033
51 HH12 ARG 6 HH12 ARG 6 -10.425 1.243 -2.370
52 HH21 ARG 6 HH21 ARG 6 -11.347 -0.848 0.245
53 HH22 ARG 6 HH22 ARG 6 -10.114 -2.052 -0.055
54 H GLY 7 H GLY 7 -4.509 2.287 -1.017
55 HA2 GLY 7 HA3 GLY 7 -2.892 2.092 1.208
56 HA3 GLY 7 HA2 GLY 7 -2.633 0.539 0.390
57 H ILE 8 H ILE 8 -2.867 4.009 -0.491
58 HA ILE 8 HA ILE 8 -0.988 3.846 -2.686
59 HB ILE 8 HB ILE 8 -2.142 6.216 -1.192
60 HG12 ILE 8 HG13 ILE 8 -3.482 6.266 -3.551
61 HG13 ILE 8 HG12 ILE 8 -3.286 4.521 -3.347
62 HG21 ILE 8 HG21 ILE 8 -0.104 6.805 -2.478
63 HG22 ILE 8 HG22 ILE 8 -1.570 7.618 -3.075
64 HG23 ILE 8 HG23 ILE 8 -0.901 6.227 -3.961
65 HD11 ILE 8 HD11 ILE 8 -5.450 5.277 -2.455
66 HD12 ILE 8 HD12 ILE 8 -4.421 4.631 -1.155
67 HD13 ILE 8 HD13 ILE 8 -4.617 6.390 -1.344
68 H ASN 9 H ASN 9 -0.788 5.483 0.491
69 HA ASN 9 HA ASN 9 2.019 5.976 0.474
70 HB2 ASN 9 HB2 ASN 9 0.122 7.069 1.796
71 HB3 ASN 9 HB3 ASN 9 0.330 5.759 2.959
72 HD21 ASN 9 HD21 ASN 9 2.273 8.490 4.434
73 HD22 ASN 9 HD22 ASN 9 0.611 7.973 4.250
74 H GLY 10 H GLY 10 0.198 3.314 2.084
75 HA2 GLY 10 HA2 GLY 10 2.280 2.045 3.476
76 HA3 GLY 10 HA3 GLY 10 0.878 1.209 2.788
77 H HIS 11 H HIS 11 1.276 1.261 0.092
78 HA HIS 11 HA HIS 11 3.404 -0.631 -0.383
79 HB2 HIS 11 HB3 HIS 11 1.444 0.882 -2.135
80 HB3 HIS 11 HB2 HIS 11 2.710 -0.130 -2.847
81 HD1 HIS 11 HD1 HIS 11 -0.480 -0.541 -0.572
82 HD2 HIS 11 HD2 HIS 11 2.336 -2.685 -2.983
83 HE1 HIS 11 HE1 HIS 11 -1.266 -2.967 -0.924
84 H ASN 12 H ASN 12 3.150 2.936 -1.018
85 HA ASN 12 HA ASN 12 5.457 3.248 -2.609
86 HB2 ASN 12 HB2 ASN 12 3.637 4.904 -2.185
87 HB3 ASN 12 HB3 ASN 12 4.362 5.248 -0.609
88 HD21 ASN 12 HD21 ASN 12 5.942 6.843 -0.505
89 HD22 ASN 12 HD22 ASN 12 6.685 7.582 -1.906
90 H SER 13 H SER 13 5.393 2.847 0.950
91 HA SER 13 HA SER 13 8.346 3.142 0.980
92 HB2 SER 13 HB3 SER 13 6.262 4.037 2.873
93 HB3 SER 13 HB2 SER 13 7.703 3.312 3.621
94 HG SER 13 HG SER 13 7.948 5.583 3.238
95 H SER 14 H SER 14 5.748 0.839 2.086
96 HA SER 14 HA SER 14 7.674 -0.856 3.371
97 HB2 SER 14 HB3 SER 14 5.295 -0.847 3.991
98 HB3 SER 14 HB2 SER 14 4.952 -1.772 2.513
99 HG SER 14 HG SER 14 5.292 -3.132 4.352
100 H SER 15 H SER 15 6.338 -1.073 0.023
101 HA SER 15 HA SER 15 7.756 -3.457 -0.678
102 HB2 SER 15 HB2 SER 15 7.338 -2.870 -2.949
103 HB3 SER 15 HB3 SER 15 5.942 -2.326 -2.004
104 HG SER 15 HG SER 15 7.874 -0.837 -3.371
105 H SER 16 H SER 16 8.984 -0.193 -0.262
106 HA SER 16 HA SER 16 11.428 -0.504 -1.827
107 HB2 SER 16 HB3 SER 16 10.592 1.634 0.180
108 HB3 SER 16 HB2 SER 16 12.000 1.721 -0.898
109 HG SER 16 HG SER 16 10.160 2.831 -1.751
110 H LEU 17 H LEU 17 13.266 -1.433 -1.200
111 HA LEU 17 HA LEU 17 13.611 -2.521 1.486
112 HB2 LEU 17 HB2 LEU 17 15.145 -2.538 -1.107
113 HB3 LEU 17 HB3 LEU 17 15.911 -3.136 0.367
114 HG LEU 17 HG LEU 17 14.964 -4.864 -1.116
115 HD11 LEU 17 HD11 LEU 17 15.384 -5.260 1.291
116 HD12 LEU 17 HD12 LEU 17 14.146 -6.320 0.576
117 HD13 LEU 17 HD13 LEU 17 13.659 -4.951 1.604
118 HD21 LEU 17 HD21 LEU 17 12.875 -3.774 -1.876
119 HD22 LEU 17 HD22 LEU 17 12.664 -5.442 -1.293
120 HD23 LEU 17 HD23 LEU 17 12.178 -4.074 -0.265