Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
637726 | 6dz9 RC | 30486 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 HN GLY 1 7.974 1.554 -2.131
2 HA2 GLY 1 HA2 GLY 1 8.209 1.390 -4.685
3 HA3 GLY 1 HA1 GLY 1 8.871 -0.203 -4.328
4 H SER 2 HN SER 2 7.058 -0.628 -2.058
5 HA SER 2 HA SER 2 4.352 -0.477 -2.964
6 HB2 SER 2 HB2 SER 2 5.905 -2.627 -4.008
7 HB3 SER 2 HB1 SER 2 4.766 -3.298 -2.843
8 HG SER 2 HG SER 2 4.143 -1.524 -4.978
9 H LYS 3 HN LYS 3 3.058 -2.309 -1.620
10 HA LYS 3 HA LYS 3 4.122 -3.110 0.864
11 HB2 LYS 3 HB2 LYS 3 3.843 -0.471 0.985
12 HB3 LYS 3 HB1 LYS 3 2.162 -0.898 1.287
13 HG2 LYS 3 HG2 LYS 3 3.188 -0.788 3.438
14 HG3 LYS 3 HG1 LYS 3 3.014 -2.503 3.075
15 HD2 LYS 3 HD2 LYS 3 5.527 -1.657 2.009
16 HD3 LYS 3 HD1 LYS 3 5.412 -1.043 3.656
17 HE2 LYS 3 HE2 LYS 3 4.857 -3.920 2.876
18 HE3 LYS 3 HE1 LYS 3 6.390 -3.344 3.528
19 HZ1 LYS 3 HZ1 LYS 3 5.149 -2.520 5.476
20 HZ2 LYS 3 HZ2 LYS 3 5.065 -4.208 5.301
21 HZ3 LYS 3 HZ3 LYS 3 3.741 -3.237 4.862
22 H ARG 4 HN ARG 4 0.984 -1.680 -0.057
23 HA ARG 4 HA ARG 4 -0.303 -4.186 -0.452
24 HB2 ARG 4 HB2 ARG 4 0.120 -3.807 2.184
25 HB3 ARG 4 HB1 ARG 4 -1.393 -2.922 2.006
26 HG2 ARG 4 HG2 ARG 4 -2.201 -5.058 2.419
27 HG3 ARG 4 HG1 ARG 4 -2.132 -5.080 0.658
28 HD2 ARG 4 HD2 ARG 4 -1.111 -7.116 1.554
29 HD3 ARG 4 HD1 ARG 4 0.119 -6.124 0.780
30 HE ARG 4 HE ARG 4 1.078 -5.739 2.879
31 HH11 ARG 4 HH11 ARG 4 1.297 -6.219 5.088
32 HH12 ARG 4 HH12 ARG 4 0.024 -7.049 5.919
33 HH21 ARG 4 HH21 ARG 4 -2.011 -7.281 3.121
34 HH22 ARG 4 HH22 ARG 4 -1.848 -7.650 4.805
35 H PHE 5 HN PHE 5 -2.545 -3.956 -0.970
36 HA PHE 5 HA PHE 5 -3.274 -1.182 -1.660
37 HB2 PHE 5 HB2 PHE 5 -4.971 -2.467 -3.170
38 HB3 PHE 5 HB1 PHE 5 -3.280 -2.376 -3.663
39 HD1 PHE 5 HD1 PHE 5 -5.770 -4.523 -1.911
40 HD2 PHE 5 HD2 PHE 5 -1.957 -4.330 -3.875
41 HE1 PHE 5 HE1 PHE 5 -5.624 -6.999 -1.868
42 HE2 PHE 5 HE2 PHE 5 -1.808 -6.806 -3.834
43 HZ PHE 5 HZ PHE 5 -3.642 -8.140 -2.829
44 H ARG 6 HN ARG 6 -5.246 -0.339 -1.054
45 HA ARG 6 HA ARG 6 -7.046 -2.064 0.513
46 HB2 ARG 6 HB2 ARG 6 -5.730 0.471 1.483
47 HB3 ARG 6 HB1 ARG 6 -7.290 -0.043 2.112
48 HG2 ARG 6 HG2 ARG 6 -5.117 -2.083 1.992
49 HG3 ARG 6 HG1 ARG 6 -5.009 -0.841 3.238
50 HD2 ARG 6 HD2 ARG 6 -7.099 -1.455 4.184
51 HD3 ARG 6 HD1 ARG 6 -7.544 -2.416 2.776
52 HE ARG 6 HE ARG 6 -5.972 -3.297 5.004
53 HH11 ARG 6 HH11 ARG 6 -5.118 -5.398 4.882
54 HH12 ARG 6 HH12 ARG 6 -5.035 -6.206 3.352
55 HH21 ARG 6 HH21 ARG 6 -6.425 -3.567 1.583
56 HH22 ARG 6 HH22 ARG 6 -5.775 -5.170 1.485
57 HA DPR 7 HA DPR 7 -10.497 -0.576 -1.725
58 HB2 DPR 7 HB1 DPR 7 -8.716 -0.496 -4.139
59 HB3 DPR 7 HB2 DPR 7 -10.375 -1.105 -3.984
60 HG2 DPR 7 HG1 DPR 7 -8.185 -2.701 -3.953
61 HG3 DPR 7 HG2 DPR 7 -9.685 -3.090 -3.098
62 HD2 DPR 7 HD1 DPR 7 -7.062 -2.383 -1.990
63 HD3 DPR 7 HD2 DPR 7 -8.493 -3.013 -1.145
64 HA PRO 8 HA PRO 8 -10.439 3.801 -2.490
65 HB2 PRO 8 HB2 PRO 8 -10.358 4.766 0.129
66 HB3 PRO 8 HB1 PRO 8 -11.827 4.280 -0.736
67 HG2 PRO 8 HG2 PRO 8 -10.226 2.790 1.268
68 HG3 PRO 8 HG1 PRO 8 -11.979 2.808 1.001
69 HD2 PRO 8 HD2 PRO 8 -10.434 0.728 0.190
70 HD3 PRO 8 HD1 PRO 8 -11.874 1.239 -0.719
71 H ILE 9 HN ILE 9 -8.097 2.581 -0.125
72 HA ILE 9 HA ILE 9 -6.173 4.631 -1.062
73 HB ILE 9 HB ILE 9 -5.099 4.121 1.273
74 HG12 ILE 9 HG12 ILE 9 -7.897 3.757 2.201
75 HG13 ILE 9 HG11 ILE 9 -7.138 2.343 1.469
76 HG21 ILE 9 HG21 ILE 9 -5.783 6.314 1.025
77 HG22 ILE 9 HG22 ILE 9 -6.946 5.784 2.240
78 HG23 ILE 9 HG23 ILE 9 -7.418 5.861 0.543
79 HD11 ILE 9 HD11 ILE 9 -5.290 2.442 3.019
80 HD12 ILE 9 HD12 ILE 9 -6.780 2.525 3.960
81 HD13 ILE 9 HD13 ILE 9 -5.844 3.990 3.656
82 H ILE 10 HN ILE 10 -4.024 4.003 -1.336
83 HA ILE 10 HA ILE 10 -3.542 1.092 -1.342
84 HB ILE 10 HB ILE 10 -2.243 1.288 -3.381
85 HG12 ILE 10 HG12 ILE 10 -2.841 3.742 -4.496
86 HG13 ILE 10 HG11 ILE 10 -2.509 4.169 -2.821
87 HG21 ILE 10 HG21 ILE 10 -4.527 0.787 -3.779
88 HG22 ILE 10 HG22 ILE 10 -4.136 2.078 -4.917
89 HG23 ILE 10 HG23 ILE 10 -5.031 2.444 -3.441
90 HD11 ILE 10 HD11 ILE 10 -0.700 2.757 -4.779
91 HD12 ILE 10 HD12 ILE 10 -0.406 2.700 -3.041
92 HD13 ILE 10 HD13 ILE 10 -0.392 4.247 -3.889
93 H PHE 11 HN PHE 11 -2.003 0.533 -0.017
94 HA PHE 11 HA PHE 11 -0.128 2.526 0.987
95 HB2 PHE 11 HB2 PHE 11 -0.842 -0.294 1.759
96 HB3 PHE 11 HB1 PHE 11 0.612 0.476 2.394
97 HD1 PHE 11 HD1 PHE 11 0.220 2.980 3.264
98 HD2 PHE 11 HD2 PHE 11 -2.817 -0.045 2.968
99 HE1 PHE 11 HE1 PHE 11 -1.148 4.190 4.942
100 HE2 PHE 11 HE2 PHE 11 -4.183 1.165 4.646
101 HZ PHE 11 HZ PHE 11 -3.349 3.282 5.633
102 H ASN 12 HN ASN 12 1.847 2.803 0.181
103 HA ASN 12 HA ASN 12 3.229 0.522 -1.056
104 HB2 ASN 12 HB2 ASN 12 3.868 1.821 -2.993
105 HB3 ASN 12 HB1 ASN 12 2.111 1.834 -2.860
106 HD21 ASN 12 HD21 ASN 12 2.219 3.783 -0.548
107 HD22 ASN 12 HD22 ASN 12 2.584 5.286 -1.261
108 H GLU 13 HN GLU 13 5.262 0.366 -0.364
109 HA GLU 13 HA GLU 13 6.681 2.796 0.498
110 HB2 GLU 13 HB2 GLU 13 5.553 1.293 2.393
111 HB3 GLU 13 HB1 GLU 13 7.024 0.346 2.161
112 HG2 GLU 13 HG2 GLU 13 8.367 2.425 2.464
113 HG3 GLU 13 HG1 GLU 13 6.879 3.306 2.805
114 H ARG 14 HN ARG 14 8.914 2.719 0.215
115 HA ARG 14 HA ARG 14 10.837 2.112 -0.895
116 HB2 ARG 14 HB2 ARG 14 9.956 -0.264 0.646
117 HB3 ARG 14 HB1 ARG 14 11.189 -0.541 -0.583
118 HG2 ARG 14 HG2 ARG 14 12.716 0.928 0.435
119 HG3 ARG 14 HG1 ARG 14 11.454 1.750 1.353
120 HD2 ARG 14 HD2 ARG 14 13.068 -0.100 2.457
121 HD3 ARG 14 HD1 ARG 14 11.409 0.149 2.990
122 HE ARG 14 HE ARG 14 11.740 -1.779 0.836
123 HH11 ARG 14 HH11 ARG 14 11.117 -3.899 1.361
124 HH12 ARG 14 HH12 ARG 14 10.827 -4.327 3.013
125 HH21 ARG 14 HH21 ARG 14 11.543 -1.161 4.235
126 HH22 ARG 14 HH22 ARG 14 11.068 -2.777 4.640
Start of MODEL 2
1 H1 GLY 1 HN GLY 1 7.145 1.216 3.148
2 HA2 GLY 1 HA2 GLY 1 7.550 0.276 5.599
3 HA3 GLY 1 HA1 GLY 1 5.802 0.478 5.638
4 H SER 2 HN SER 2 5.332 -0.198 2.885
5 HA SER 2 HA SER 2 6.447 -2.726 2.219
6 HB2 SER 2 HB2 SER 2 4.999 -3.212 4.306
7 HB3 SER 2 HB1 SER 2 3.624 -2.951 3.237
8 HG SER 2 HG SER 2 5.624 -4.929 3.162
9 H LYS 3 HN LYS 3 4.318 -3.904 0.906
10 HA LYS 3 HA LYS 3 3.299 -1.802 -0.899
11 HB2 LYS 3 HB2 LYS 3 4.757 -4.335 -1.660
12 HB3 LYS 3 HB1 LYS 3 3.755 -3.432 -2.795
13 HG2 LYS 3 HG2 LYS 3 5.325 -1.828 -3.061
14 HG3 LYS 3 HG1 LYS 3 5.605 -1.707 -1.324
15 HD2 LYS 3 HD2 LYS 3 6.666 -4.006 -2.978
16 HD3 LYS 3 HD1 LYS 3 7.586 -2.524 -2.720
17 HE2 LYS 3 HE2 LYS 3 8.121 -3.105 -0.601
18 HE3 LYS 3 HE1 LYS 3 6.467 -3.596 -0.236
19 HZ1 LYS 3 HZ1 LYS 3 8.701 -5.206 -0.912
20 HZ2 LYS 3 HZ2 LYS 3 7.431 -5.470 -2.009
21 HZ3 LYS 3 HZ3 LYS 3 7.175 -5.678 -0.343
22 H ARG 4 HN ARG 4 1.177 -1.919 -0.370
23 HA ARG 4 HA ARG 4 -0.201 -4.429 -1.000
24 HB2 ARG 4 HB2 ARG 4 -0.619 -2.911 1.588
25 HB3 ARG 4 HB1 ARG 4 -1.562 -4.298 1.046
26 HG2 ARG 4 HG2 ARG 4 0.730 -5.511 0.876
27 HG3 ARG 4 HG1 ARG 4 1.324 -4.205 1.903
28 HD2 ARG 4 HD2 ARG 4 -0.403 -4.725 3.579
29 HD3 ARG 4 HD1 ARG 4 -1.017 -6.019 2.554
30 HE ARG 4 HE ARG 4 0.699 -7.349 3.350
31 HH11 ARG 4 HH11 ARG 4 2.636 -7.752 4.466
32 HH12 ARG 4 HH12 ARG 4 3.610 -6.424 5.005
33 HH21 ARG 4 HH21 ARG 4 1.475 -4.000 3.746
34 HH22 ARG 4 HH22 ARG 4 2.953 -4.300 4.598
35 H PHE 5 HN PHE 5 -2.718 -3.910 -0.637
36 HA PHE 5 HA PHE 5 -3.315 -1.202 -1.616
37 HB2 PHE 5 HB2 PHE 5 -4.202 -3.763 -2.961
38 HB3 PHE 5 HB1 PHE 5 -4.801 -2.154 -3.362
39 HD1 PHE 5 HD1 PHE 5 -3.440 -0.564 -4.574
40 HD2 PHE 5 HD2 PHE 5 -1.843 -4.374 -3.397
41 HE1 PHE 5 HE1 PHE 5 -1.486 -0.203 -6.058
42 HE2 PHE 5 HE2 PHE 5 0.111 -4.013 -4.881
43 HZ PHE 5 HZ PHE 5 0.290 -1.928 -6.212
44 H ARG 6 HN ARG 6 -5.214 -0.380 -0.856
45 HA ARG 6 HA ARG 6 -7.109 -2.234 0.428
46 HB2 ARG 6 HB2 ARG 6 -5.988 0.251 1.756
47 HB3 ARG 6 HB1 ARG 6 -7.291 -0.747 2.392
48 HG2 ARG 6 HG2 ARG 6 -5.429 -2.664 1.974
49 HG3 ARG 6 HG1 ARG 6 -4.371 -1.290 2.284
50 HD2 ARG 6 HD2 ARG 6 -5.570 -0.841 4.392
51 HD3 ARG 6 HD1 ARG 6 -6.632 -2.210 4.083
52 HE ARG 6 HE ARG 6 -4.888 -3.655 4.670
53 HH11 ARG 6 HH11 ARG 6 -2.866 -4.045 5.627
54 HH12 ARG 6 HH12 ARG 6 -1.737 -2.745 5.816
55 HH21 ARG 6 HH21 ARG 6 -3.821 -0.375 4.382
56 HH22 ARG 6 HH22 ARG 6 -2.278 -0.669 5.110
57 HA DPR 7 HA DPR 7 -10.417 -0.372 -1.748
58 HB2 DPR 7 HB1 DPR 7 -8.458 0.266 -3.933
59 HB3 DPR 7 HB2 DPR 7 -10.122 -0.339 -4.059
60 HG2 DPR 7 HG1 DPR 7 -7.935 -1.935 -4.206
61 HG3 DPR 7 HG2 DPR 7 -9.499 -2.485 -3.585
62 HD2 DPR 7 HD1 DPR 7 -6.986 -2.102 -2.140
63 HD3 DPR 7 HD2 DPR 7 -8.491 -2.843 -1.560
64 HA PRO 8 HA PRO 8 -10.719 4.037 -1.292
65 HB2 PRO 8 HB2 PRO 8 -9.783 3.644 1.523
66 HB3 PRO 8 HB1 PRO 8 -11.191 4.532 0.919
67 HG2 PRO 8 HG2 PRO 8 -11.346 2.078 2.040
68 HG3 PRO 8 HG1 PRO 8 -12.489 2.681 0.832
69 HD2 PRO 8 HD2 PRO 8 -10.467 0.561 0.551
70 HD3 PRO 8 HD1 PRO 8 -11.834 0.958 -0.514
71 H ILE 9 HN ILE 9 -7.822 2.358 -0.178
72 HA ILE 9 HA ILE 9 -6.196 4.560 -1.204
73 HB ILE 9 HB ILE 9 -4.770 4.316 0.971
74 HG12 ILE 9 HG12 ILE 9 -7.341 3.910 2.381
75 HG13 ILE 9 HG11 ILE 9 -6.677 2.472 1.606
76 HG21 ILE 9 HG21 ILE 9 -5.982 6.367 0.248
77 HG22 ILE 9 HG22 ILE 9 -6.022 6.153 1.997
78 HG23 ILE 9 HG23 ILE 9 -7.440 5.755 1.030
79 HD11 ILE 9 HD11 ILE 9 -5.910 2.876 4.001
80 HD12 ILE 9 HD12 ILE 9 -5.023 4.271 3.385
81 HD13 ILE 9 HD13 ILE 9 -4.622 2.651 2.817
82 H ILE 10 HN ILE 10 -4.122 3.990 -1.793
83 HA ILE 10 HA ILE 10 -3.637 1.091 -1.957
84 HB ILE 10 HB ILE 10 -2.289 1.514 -3.870
85 HG12 ILE 10 HG12 ILE 10 -2.234 4.199 -4.427
86 HG13 ILE 10 HG11 ILE 10 -2.062 4.216 -2.674
87 HG21 ILE 10 HG21 ILE 10 -4.399 3.618 -4.229
88 HG22 ILE 10 HG22 ILE 10 -4.880 1.945 -3.944
89 HG23 ILE 10 HG23 ILE 10 -3.887 2.351 -5.344
90 HD11 ILE 10 HD11 ILE 10 0.160 4.035 -3.444
91 HD12 ILE 10 HD12 ILE 10 -0.282 2.909 -4.726
92 HD13 ILE 10 HD13 ILE 10 -0.269 2.372 -3.047
93 H PHE 11 HN PHE 11 -1.607 0.224 -1.398
94 HA PHE 11 HA PHE 11 0.001 1.946 0.393
95 HB2 PHE 11 HB2 PHE 11 -1.172 -0.686 0.741
96 HB3 PHE 11 HB1 PHE 11 0.571 -0.711 1.014
97 HD1 PHE 11 HD1 PHE 11 -2.647 0.301 2.312
98 HD2 PHE 11 HD2 PHE 11 1.585 0.977 2.618
99 HE1 PHE 11 HE1 PHE 11 -2.979 1.383 4.520
100 HE2 PHE 11 HE2 PHE 11 1.253 2.058 4.826
101 HZ PHE 11 HZ PHE 11 -1.029 2.260 5.776
102 H ASN 12 HN ASN 12 1.818 2.535 -0.601
103 HA ASN 12 HA ASN 12 3.374 0.461 -2.015
104 HB2 ASN 12 HB2 ASN 12 3.994 2.038 -3.734
105 HB3 ASN 12 HB1 ASN 12 2.234 1.988 -3.638
106 HD21 ASN 12 HD21 ASN 12 1.920 3.618 -1.266
107 HD22 ASN 12 HD22 ASN 12 2.395 5.204 -1.667
108 H GLU 13 HN GLU 13 5.153 0.154 -0.853
109 HA GLU 13 HA GLU 13 7.087 0.560 0.310
110 HB2 GLU 13 HB2 GLU 13 6.870 3.455 -0.506
111 HB3 GLU 13 HB1 GLU 13 8.325 2.513 -0.176
112 HG2 GLU 13 HG2 GLU 13 7.587 1.027 -2.153
113 HG3 GLU 13 HG1 GLU 13 6.490 2.345 -2.566
114 H ARG 14 HN ARG 14 7.516 3.407 1.401
115 HA ARG 14 HA ARG 14 7.317 4.326 3.507
116 HB2 ARG 14 HB2 ARG 14 4.617 4.138 2.320
117 HB3 ARG 14 HB1 ARG 14 4.662 4.423 4.061
118 HG2 ARG 14 HG2 ARG 14 6.015 6.390 3.789
119 HG3 ARG 14 HG1 ARG 14 6.292 6.034 2.083
120 HD2 ARG 14 HD2 ARG 14 3.450 6.144 2.724
121 HD3 ARG 14 HD1 ARG 14 4.270 7.653 3.118
122 HE ARG 14 HE ARG 14 3.879 6.533 0.460
123 HH11 ARG 14 HH11 ARG 14 4.512 7.894 -1.243
124 HH12 ARG 14 HH12 ARG 14 5.465 9.302 -0.913
125 HH21 ARG 14 HH21 ARG 14 5.593 8.736 2.506
126 HH22 ARG 14 HH22 ARG 14 6.077 9.778 1.211
Start of MODEL 3
1 H1 GLY 1 HN GLY 1 8.852 0.243 1.735
2 HA2 GLY 1 HA2 GLY 1 10.010 -2.392 1.124
3 HA3 GLY 1 HA1 GLY 1 10.198 -1.747 2.752
4 H SER 2 HN SER 2 7.423 -1.553 0.540
5 HA SER 2 HA SER 2 5.880 -3.537 1.893
6 HB2 SER 2 HB2 SER 2 6.010 -1.350 3.421
7 HB3 SER 2 HB1 SER 2 4.712 -0.835 2.349
8 HG SER 2 HG SER 2 4.755 -3.368 3.617
9 H LYS 3 HN LYS 3 4.359 -4.227 0.521
10 HA LYS 3 HA LYS 3 3.314 -2.358 -1.513
11 HB2 LYS 3 HB2 LYS 3 4.307 -5.176 -2.007
12 HB3 LYS 3 HB1 LYS 3 3.450 -4.187 -3.188
13 HG2 LYS 3 HG2 LYS 3 5.419 -3.283 -3.791
14 HG3 LYS 3 HG1 LYS 3 5.544 -2.572 -2.183
15 HD2 LYS 3 HD2 LYS 3 7.529 -3.909 -2.578
16 HD3 LYS 3 HD1 LYS 3 6.538 -4.731 -1.373
17 HE2 LYS 3 HE2 LYS 3 5.628 -5.624 -3.903
18 HE3 LYS 3 HE1 LYS 3 7.390 -5.689 -3.951
19 HZ1 LYS 3 HZ1 LYS 3 6.322 -6.628 -1.469
20 HZ2 LYS 3 HZ2 LYS 3 7.424 -7.374 -2.525
21 HZ3 LYS 3 HZ3 LYS 3 5.752 -7.528 -2.789
22 H ARG 4 HN ARG 4 1.279 -2.164 -0.702
23 HA ARG 4 HA ARG 4 -0.425 -4.525 -0.866
24 HB2 ARG 4 HB2 ARG 4 -0.125 -2.914 1.679
25 HB3 ARG 4 HB1 ARG 4 -1.421 -4.069 1.381
26 HG2 ARG 4 HG2 ARG 4 0.408 -5.793 0.916
27 HG3 ARG 4 HG1 ARG 4 1.544 -4.622 1.588
28 HD2 ARG 4 HD2 ARG 4 1.023 -5.742 3.526
29 HD3 ARG 4 HD1 ARG 4 -0.282 -4.559 3.543
30 HE ARG 4 HE ARG 4 -1.787 -6.279 3.087
31 HH11 ARG 4 HH11 ARG 4 -2.321 -8.471 2.829
32 HH12 ARG 4 HH12 ARG 4 -1.071 -9.632 2.530
33 HH21 ARG 4 HH21 ARG 4 1.486 -7.290 2.596
34 HH22 ARG 4 HH22 ARG 4 1.085 -8.963 2.398
35 H PHE 5 HN PHE 5 -2.706 -3.984 -0.829
36 HA PHE 5 HA PHE 5 -3.223 -1.175 -1.612
37 HB2 PHE 5 HB2 PHE 5 -4.505 -3.723 -2.619
38 HB3 PHE 5 HB1 PHE 5 -5.053 -2.097 -3.029
39 HD1 PHE 5 HD1 PHE 5 -3.288 -0.477 -4.035
40 HD2 PHE 5 HD2 PHE 5 -2.805 -4.742 -3.878
41 HE1 PHE 5 HE1 PHE 5 -1.576 -0.349 -5.825
42 HE2 PHE 5 HE2 PHE 5 -1.094 -4.614 -5.668
43 HZ PHE 5 HZ PHE 5 -0.480 -2.418 -6.642
44 H ARG 6 HN ARG 6 -5.217 -0.254 -0.975
45 HA ARG 6 HA ARG 6 -6.797 -1.788 0.978
46 HB2 ARG 6 HB2 ARG 6 -5.382 0.818 1.513
47 HB3 ARG 6 HB1 ARG 6 -6.876 0.421 2.354
48 HG2 ARG 6 HG2 ARG 6 -4.710 -1.643 2.242
49 HG3 ARG 6 HG1 ARG 6 -4.537 -0.294 3.364
50 HD2 ARG 6 HD2 ARG 6 -7.166 -1.708 3.288
51 HD3 ARG 6 HD1 ARG 6 -5.815 -2.529 4.063
52 HE ARG 6 HE ARG 6 -7.267 -0.321 5.126
53 HH11 ARG 6 HH11 ARG 6 -6.487 0.618 7.041
54 HH12 ARG 6 HH12 ARG 6 -4.850 0.336 7.533
55 HH21 ARG 6 HH21 ARG 6 -4.097 -1.674 4.810
56 HH22 ARG 6 HH22 ARG 6 -3.498 -0.961 6.270
57 HA DPR 7 HA DPR 7 -10.458 -0.549 -1.067
58 HB2 DPR 7 HB1 DPR 7 -8.922 -0.636 -3.644
59 HB3 DPR 7 HB2 DPR 7 -10.547 -1.249 -3.282
60 HG2 DPR 7 HG1 DPR 7 -8.361 -2.828 -3.345
61 HG3 DPR 7 HG2 DPR 7 -9.739 -3.138 -2.277
62 HD2 DPR 7 HD1 DPR 7 -7.009 -2.275 -1.589
63 HD3 DPR 7 HD2 DPR 7 -8.283 -2.901 -0.522
64 HA PRO 8 HA PRO 8 -10.596 3.739 -2.230
65 HB2 PRO 8 HB2 PRO 8 -10.437 4.948 0.270
66 HB3 PRO 8 HB1 PRO 8 -11.920 4.292 -0.449
67 HG2 PRO 8 HG2 PRO 8 -10.101 3.096 1.572
68 HG3 PRO 8 HG1 PRO 8 -11.867 3.011 1.444
69 HD2 PRO 8 HD2 PRO 8 -10.287 0.930 0.714
70 HD3 PRO 8 HD1 PRO 8 -11.811 1.290 -0.127
71 H ILE 9 HN ILE 9 -7.886 2.472 -0.510
72 HA ILE 9 HA ILE 9 -6.228 4.626 -1.600
73 HB ILE 9 HB ILE 9 -4.981 4.631 0.676
74 HG12 ILE 9 HG12 ILE 9 -7.639 4.123 1.904
75 HG13 ILE 9 HG11 ILE 9 -6.767 2.702 1.332
76 HG21 ILE 9 HG21 ILE 9 -7.728 5.886 0.384
77 HG22 ILE 9 HG22 ILE 9 -6.222 6.549 -0.251
78 HG23 ILE 9 HG23 ILE 9 -6.467 6.428 1.492
79 HD11 ILE 9 HD11 ILE 9 -5.350 4.774 2.988
80 HD12 ILE 9 HD12 ILE 9 -4.953 3.069 2.771
81 HD13 ILE 9 HD13 ILE 9 -6.333 3.534 3.766
82 H ILE 10 HN ILE 10 -4.090 4.070 -1.972
83 HA ILE 10 HA ILE 10 -3.568 1.178 -1.962
84 HB ILE 10 HB ILE 10 -1.991 1.570 -3.702
85 HG12 ILE 10 HG12 ILE 10 -1.878 4.246 -4.298
86 HG13 ILE 10 HG11 ILE 10 -1.920 4.293 -2.538
87 HG21 ILE 10 HG21 ILE 10 -3.518 2.089 -5.294
88 HG22 ILE 10 HG22 ILE 10 -3.840 3.676 -4.597
89 HG23 ILE 10 HG23 ILE 10 -4.644 2.248 -3.946
90 HD11 ILE 10 HD11 ILE 10 -0.089 2.452 -2.661
91 HD12 ILE 10 HD12 ILE 10 0.379 4.112 -3.028
92 HD13 ILE 10 HD13 ILE 10 0.100 2.965 -4.337
93 H PHE 11 HN PHE 11 -1.627 0.318 -1.151
94 HA PHE 11 HA PHE 11 -0.194 2.075 0.753
95 HB2 PHE 11 HB2 PHE 11 -1.498 -0.493 1.100
96 HB3 PHE 11 HB1 PHE 11 0.209 -0.573 1.538
97 HD1 PHE 11 HD1 PHE 11 -2.436 2.081 1.817
98 HD2 PHE 11 HD2 PHE 11 0.504 -0.315 3.839
99 HE1 PHE 11 HE1 PHE 11 -2.928 3.266 3.939
100 HE2 PHE 11 HE2 PHE 11 0.010 0.871 5.959
101 HZ PHE 11 HZ PHE 11 -1.705 2.661 6.010
102 H ASN 12 HN ASN 12 1.586 2.626 -0.424
103 HA ASN 12 HA ASN 12 3.314 0.396 -1.316
104 HB2 ASN 12 HB2 ASN 12 2.800 3.033 -2.703
105 HB3 ASN 12 HB1 ASN 12 4.118 1.942 -3.123
106 HD21 ASN 12 HD21 ASN 12 1.815 -0.168 -2.165
107 HD22 ASN 12 HD22 ASN 12 1.003 -0.424 -3.639
108 H GLU 13 HN GLU 13 5.238 0.388 -0.360
109 HA GLU 13 HA GLU 13 6.448 2.929 0.483
110 HB2 GLU 13 HB2 GLU 13 5.124 1.523 2.342
111 HB3 GLU 13 HB1 GLU 13 6.666 0.668 2.401
112 HG2 GLU 13 HG2 GLU 13 6.897 2.429 3.974
113 HG3 GLU 13 HG1 GLU 13 7.758 2.990 2.541
114 H ARG 14 HN ARG 14 8.716 2.869 0.648
115 HA ARG 14 HA ARG 14 10.150 1.474 -1.204
116 HB2 ARG 14 HB2 ARG 14 10.849 2.853 1.315
117 HB3 ARG 14 HB1 ARG 14 12.035 1.676 0.754
118 HG2 ARG 14 HG2 ARG 14 12.358 2.792 -1.298
119 HG3 ARG 14 HG1 ARG 14 10.857 3.704 -1.142
120 HD2 ARG 14 HD2 ARG 14 11.819 4.925 0.790
121 HD3 ARG 14 HD1 ARG 14 13.328 4.042 0.580
122 HE ARG 14 HE ARG 14 13.007 5.142 -1.854
123 HH11 ARG 14 HH11 ARG 14 13.628 7.246 -2.439
124 HH12 ARG 14 HH12 ARG 14 13.695 8.490 -1.236
125 HH21 ARG 14 HH21 ARG 14 12.691 6.410 1.351
126 HH22 ARG 14 HH22 ARG 14 13.165 8.017 0.910
Start of MODEL 4
1 H1 GLY 1 HN GLY 1 9.260 -0.354 -0.486
2 HA2 GLY 1 HA2 GLY 1 10.711 -2.318 -0.327
3 HA3 GLY 1 HA1 GLY 1 10.750 -2.067 1.415
4 H SER 2 HN SER 2 7.732 -1.305 0.938
5 HA SER 2 HA SER 2 6.674 -4.042 0.687
6 HB2 SER 2 HB2 SER 2 7.022 -2.902 3.146
7 HB3 SER 2 HB1 SER 2 5.379 -2.399 2.761
8 HG SER 2 HG SER 2 5.904 -4.997 2.096
9 H LYS 3 HN LYS 3 4.617 -4.175 -0.170
10 HA LYS 3 HA LYS 3 3.237 -1.649 -0.800
11 HB2 LYS 3 HB2 LYS 3 3.778 -3.857 -2.800
12 HB3 LYS 3 HB1 LYS 3 2.849 -2.388 -3.099
13 HG2 LYS 3 HG2 LYS 3 4.870 -1.037 -2.552
14 HG3 LYS 3 HG1 LYS 3 5.789 -2.532 -2.369
15 HD2 LYS 3 HD2 LYS 3 4.422 -2.702 -4.854
16 HD3 LYS 3 HD1 LYS 3 5.167 -1.105 -4.784
17 HE2 LYS 3 HE2 LYS 3 6.552 -3.770 -4.384
18 HE3 LYS 3 HE1 LYS 3 6.782 -2.650 -5.725
19 HZ1 LYS 3 HZ1 LYS 3 7.153 -1.429 -3.157
20 HZ2 LYS 3 HZ2 LYS 3 8.155 -1.396 -4.528
21 HZ3 LYS 3 HZ3 LYS 3 8.241 -2.699 -3.440
22 H ARG 4 HN ARG 4 1.154 -1.741 -0.298
23 HA ARG 4 HA ARG 4 -0.227 -4.346 -0.346
24 HB2 ARG 4 HB2 ARG 4 0.421 -2.824 1.994
25 HB3 ARG 4 HB1 ARG 4 -1.328 -2.800 1.767
26 HG2 ARG 4 HG2 ARG 4 -0.687 -4.755 3.100
27 HG3 ARG 4 HG1 ARG 4 -1.319 -5.270 1.537
28 HD2 ARG 4 HD2 ARG 4 1.581 -4.787 1.524
29 HD3 ARG 4 HD1 ARG 4 1.089 -6.076 2.618
30 HE ARG 4 HE ARG 4 0.910 -6.100 -0.284
31 HH11 ARG 4 HH11 ARG 4 0.265 -8.085 -1.179
32 HH12 ARG 4 HH12 ARG 4 -0.403 -9.314 -0.158
33 HH21 ARG 4 HH21 ARG 4 -0.137 -7.424 2.738
34 HH22 ARG 4 HH22 ARG 4 -0.630 -8.940 2.060
35 H PHE 5 HN PHE 5 -2.716 -3.678 0.306
36 HA PHE 5 HA PHE 5 -3.455 -1.377 -1.387
37 HB2 PHE 5 HB2 PHE 5 -5.313 -3.625 -1.564
38 HB3 PHE 5 HB1 PHE 5 -4.626 -2.629 -2.847
39 HD1 PHE 5 HD1 PHE 5 -4.140 -5.627 -0.753
40 HD2 PHE 5 HD2 PHE 5 -2.542 -3.240 -3.948
41 HE1 PHE 5 HE1 PHE 5 -2.567 -7.455 -1.333
42 HE2 PHE 5 HE2 PHE 5 -0.969 -5.069 -4.526
43 HZ PHE 5 HZ PHE 5 -0.982 -7.176 -3.218
44 H ARG 6 HN ARG 6 -5.350 -0.310 -0.815
45 HA ARG 6 HA ARG 6 -6.843 -1.331 1.496
46 HB2 ARG 6 HB2 ARG 6 -5.209 1.177 1.465
47 HB3 ARG 6 HB1 ARG 6 -6.753 1.197 2.312
48 HG2 ARG 6 HG2 ARG 6 -4.659 -0.946 2.758
49 HG3 ARG 6 HG1 ARG 6 -4.738 0.528 3.721
50 HD2 ARG 6 HD2 ARG 6 -6.306 -0.418 5.022
51 HD3 ARG 6 HD1 ARG 6 -7.373 -0.571 3.631
52 HE ARG 6 HE ARG 6 -6.929 -2.833 3.692
53 HH11 ARG 6 HH11 ARG 6 -5.733 -4.687 4.226
54 HH12 ARG 6 HH12 ARG 6 -4.187 -4.524 4.989
55 HH21 ARG 6 HH21 ARG 6 -4.284 -1.058 5.044
56 HH22 ARG 6 HH22 ARG 6 -3.366 -2.469 5.453
57 HA DPR 7 HA DPR 7 -10.556 -0.338 -0.578
58 HB2 DPR 7 HB1 DPR 7 -9.193 -1.092 -3.141
59 HB3 DPR 7 HB2 DPR 7 -10.812 -1.522 -2.559
60 HG2 DPR 7 HG1 DPR 7 -8.687 -3.182 -2.383
61 HG3 DPR 7 HG2 DPR 7 -10.012 -3.183 -1.209
62 HD2 DPR 7 HD1 DPR 7 -7.217 -2.329 -0.857
63 HD3 DPR 7 HD2 DPR 7 -8.456 -2.636 0.380
64 HA PRO 8 HA PRO 8 -10.551 3.577 -2.683
65 HB2 PRO 8 HB2 PRO 8 -10.158 5.303 -0.532
66 HB3 PRO 8 HB1 PRO 8 -11.720 4.616 -1.016
67 HG2 PRO 8 HG2 PRO 8 -9.863 3.774 1.142
68 HG3 PRO 8 HG1 PRO 8 -11.636 3.782 1.110
69 HD2 PRO 8 HD2 PRO 8 -10.217 1.489 0.806
70 HD3 PRO 8 HD1 PRO 8 -11.764 1.753 -0.027
71 H ILE 9 HN ILE 9 -7.847 2.754 -0.608
72 HA ILE 9 HA ILE 9 -6.115 4.449 -2.296
73 HB ILE 9 HB ILE 9 -4.746 4.851 -0.169
74 HG12 ILE 9 HG12 ILE 9 -7.241 4.610 1.398
75 HG13 ILE 9 HG11 ILE 9 -6.502 3.075 0.937
76 HG21 ILE 9 HG21 ILE 9 -6.807 6.493 0.587
77 HG22 ILE 9 HG22 ILE 9 -7.265 6.093 -1.068
78 HG23 ILE 9 HG23 ILE 9 -5.698 6.834 -0.740
79 HD11 ILE 9 HD11 ILE 9 -4.859 5.303 2.136
80 HD12 ILE 9 HD12 ILE 9 -4.474 3.584 2.043
81 HD13 ILE 9 HD13 ILE 9 -5.721 4.150 3.156
82 H ILE 10 HN ILE 10 -4.056 3.688 -2.681
83 HA ILE 10 HA ILE 10 -3.673 0.830 -2.123
84 HB ILE 10 HB ILE 10 -2.205 0.773 -3.991
85 HG12 ILE 10 HG12 ILE 10 -1.970 3.264 -5.109
86 HG13 ILE 10 HG11 ILE 10 -1.906 3.662 -3.396
87 HG21 ILE 10 HG21 ILE 10 -4.827 1.624 -4.211
88 HG22 ILE 10 HG22 ILE 10 -3.825 1.047 -5.541
89 HG23 ILE 10 HG23 ILE 10 -3.953 2.776 -5.220
90 HD11 ILE 10 HD11 ILE 10 -0.066 1.885 -4.987
91 HD12 ILE 10 HD12 ILE 10 -0.195 1.700 -3.239
92 HD13 ILE 10 HD13 ILE 10 0.346 3.231 -3.926
93 H PHE 11 HN PHE 11 -1.706 0.038 -1.265
94 HA PHE 11 HA PHE 11 -0.249 2.030 0.348
95 HB2 PHE 11 HB2 PHE 11 -1.372 -0.485 0.981
96 HB3 PHE 11 HB1 PHE 11 0.380 -0.677 1.054
97 HD1 PHE 11 HD1 PHE 11 -2.271 1.786 2.046
98 HD2 PHE 11 HD2 PHE 11 1.468 -0.086 3.035
99 HE1 PHE 11 HE1 PHE 11 -2.234 3.001 4.208
100 HE2 PHE 11 HE2 PHE 11 1.504 1.129 5.196
101 HZ PHE 11 HZ PHE 11 -0.346 2.672 5.784
102 H ASN 12 HN ASN 12 1.765 2.529 -0.176
103 HA ASN 12 HA ASN 12 3.423 0.550 -1.595
104 HB2 ASN 12 HB2 ASN 12 4.328 2.500 -2.957
105 HB3 ASN 12 HB1 ASN 12 2.705 1.957 -3.373
106 HD21 ASN 12 HD21 ASN 12 3.270 3.797 -0.411
107 HD22 ASN 12 HD22 ASN 12 2.510 5.224 -0.944
108 H GLU 13 HN GLU 13 4.272 0.298 0.603
109 HA GLU 13 HA GLU 13 5.709 2.537 1.765
110 HB2 GLU 13 HB2 GLU 13 4.524 0.362 2.868
111 HB3 GLU 13 HB1 GLU 13 6.197 -0.192 2.792
112 HG2 GLU 13 HG2 GLU 13 6.801 2.101 3.816
113 HG3 GLU 13 HG1 GLU 13 5.088 2.228 4.212
114 H ARG 14 HN ARG 14 7.964 2.636 2.062
115 HA ARG 14 HA ARG 14 9.536 1.881 -0.145
116 HB2 ARG 14 HB2 ARG 14 10.019 3.748 1.502
117 HB3 ARG 14 HB1 ARG 14 10.594 2.506 2.617
118 HG2 ARG 14 HG2 ARG 14 12.150 1.721 0.775
119 HG3 ARG 14 HG1 ARG 14 11.697 3.171 -0.123
120 HD2 ARG 14 HD2 ARG 14 13.310 2.916 2.379
121 HD3 ARG 14 HD1 ARG 14 13.555 3.971 0.991
122 HE ARG 14 HE ARG 14 11.264 4.941 2.070
123 HH11 ARG 14 HH11 ARG 14 11.190 6.494 3.725
124 HH12 ARG 14 HH12 ARG 14 12.513 6.635 4.833
125 HH21 ARG 14 HH21 ARG 14 14.358 4.091 3.367
126 HH22 ARG 14 HH22 ARG 14 14.306 5.274 4.632
Start of MODEL 5
1 H1 GLY 1 HN GLY 1 8.899 -0.851 0.055
2 HA2 GLY 1 HA2 GLY 1 10.106 -2.673 1.344
3 HA3 GLY 1 HA1 GLY 1 9.826 -1.650 2.750
4 H SER 2 HN SER 2 7.178 -0.824 1.582
5 HA SER 2 HA SER 2 5.668 -3.289 2.228
6 HB2 SER 2 HB2 SER 2 4.767 -0.455 2.754
7 HB3 SER 2 HB1 SER 2 4.005 -1.942 3.308
8 HG SER 2 HG SER 2 5.464 -2.124 4.834
9 H LYS 3 HN LYS 3 4.319 -3.996 0.704
10 HA LYS 3 HA LYS 3 3.280 -2.091 -1.290
11 HB2 LYS 3 HB2 LYS 3 4.509 -4.784 -1.928
12 HB3 LYS 3 HB1 LYS 3 3.721 -3.712 -3.086
13 HG2 LYS 3 HG2 LYS 3 5.387 -1.969 -2.652
14 HG3 LYS 3 HG1 LYS 3 6.156 -2.985 -1.432
15 HD2 LYS 3 HD2 LYS 3 5.785 -4.143 -4.160
16 HD3 LYS 3 HD1 LYS 3 7.044 -2.924 -3.950
17 HE2 LYS 3 HE2 LYS 3 6.754 -5.440 -2.281
18 HE3 LYS 3 HE1 LYS 3 7.926 -5.209 -3.580
19 HZ1 LYS 3 HZ1 LYS 3 8.717 -3.219 -2.308
20 HZ2 LYS 3 HZ2 LYS 3 9.027 -4.718 -1.568
21 HZ3 LYS 3 HZ3 LYS 3 7.754 -3.739 -1.012
22 H ARG 4 HN ARG 4 1.186 -2.135 -0.630
23 HA ARG 4 HA ARG 4 -0.247 -4.661 -0.998
24 HB2 ARG 4 HB2 ARG 4 0.141 -3.299 1.583
25 HB3 ARG 4 HB1 ARG 4 -1.537 -3.690 1.211
26 HG2 ARG 4 HG2 ARG 4 0.670 -5.725 0.880
27 HG3 ARG 4 HG1 ARG 4 -0.145 -5.493 2.426
28 HD2 ARG 4 HD2 ARG 4 -1.991 -5.720 0.149
29 HD3 ARG 4 HD1 ARG 4 -1.019 -7.164 0.416
30 HE ARG 4 HE ARG 4 -3.059 -6.089 2.193
31 HH11 ARG 4 HH11 ARG 4 -3.577 -7.428 3.954
32 HH12 ARG 4 HH12 ARG 4 -2.559 -8.775 4.339
33 HH21 ARG 4 HH21 ARG 4 -0.331 -8.172 1.752
34 HH22 ARG 4 HH22 ARG 4 -0.722 -9.197 3.093
35 H PHE 5 HN PHE 5 -2.740 -4.052 -0.450
36 HA PHE 5 HA PHE 5 -3.339 -1.445 -1.687
37 HB2 PHE 5 HB2 PHE 5 -5.156 -3.576 -2.518
38 HB3 PHE 5 HB1 PHE 5 -4.359 -2.336 -3.485
39 HD1 PHE 5 HD1 PHE 5 -4.477 -5.802 -2.772
40 HD2 PHE 5 HD2 PHE 5 -1.748 -2.642 -3.784
41 HE1 PHE 5 HE1 PHE 5 -2.841 -7.477 -3.586
42 HE2 PHE 5 HE2 PHE 5 -0.112 -4.318 -4.599
43 HZ PHE 5 HZ PHE 5 -0.657 -6.735 -4.500
44 H ARG 6 HN ARG 6 -5.139 -0.423 -0.889
45 HA ARG 6 HA ARG 6 -6.907 -1.955 0.897
46 HB2 ARG 6 HB2 ARG 6 -5.551 0.641 1.674
47 HB3 ARG 6 HB1 ARG 6 -6.794 -0.184 2.611
48 HG2 ARG 6 HG2 ARG 6 -5.331 -2.184 2.759
49 HG3 ARG 6 HG1 ARG 6 -4.077 -1.311 1.877
50 HD2 ARG 6 HD2 ARG 6 -3.353 -0.533 3.861
51 HD3 ARG 6 HD1 ARG 6 -4.827 0.429 3.935
52 HE ARG 6 HE ARG 6 -5.559 -0.990 5.606
53 HH11 ARG 6 HH11 ARG 6 -5.507 -2.874 6.872
54 HH12 ARG 6 HH12 ARG 6 -4.451 -4.175 6.436
55 HH21 ARG 6 HH21 ARG 6 -3.175 -2.557 3.647
56 HH22 ARG 6 HH22 ARG 6 -3.130 -3.996 4.611
57 HA DPR 7 HA DPR 7 -10.362 -0.259 -1.193
58 HB2 DPR 7 HB1 DPR 7 -8.648 -0.047 -3.649
59 HB3 DPR 7 HB2 DPR 7 -10.337 -0.574 -3.502
60 HG2 DPR 7 HG1 DPR 7 -8.262 -2.298 -3.655
61 HG3 DPR 7 HG2 DPR 7 -9.746 -2.655 -2.757
62 HD2 DPR 7 HD1 DPR 7 -7.041 -2.165 -1.734
63 HD3 DPR 7 HD2 DPR 7 -8.461 -2.781 -0.864
64 HA PRO 8 HA PRO 8 -10.464 4.192 -1.547
65 HB2 PRO 8 HB2 PRO 8 -9.511 4.194 1.291
66 HB3 PRO 8 HB1 PRO 8 -10.866 5.072 0.558
67 HG2 PRO 8 HG2 PRO 8 -11.186 2.853 2.054
68 HG3 PRO 8 HG1 PRO 8 -12.284 3.313 0.742
69 HD2 PRO 8 HD2 PRO 8 -10.377 1.066 0.849
70 HD3 PRO 8 HD1 PRO 8 -11.733 1.340 -0.269
71 H ILE 9 HN ILE 9 -7.641 2.545 -0.234
72 HA ILE 9 HA ILE 9 -5.929 4.513 -1.558
73 HB ILE 9 HB ILE 9 -4.466 4.514 0.576
74 HG12 ILE 9 HG12 ILE 9 -6.893 4.314 2.207
75 HG13 ILE 9 HG11 ILE 9 -6.441 2.781 1.465
76 HG21 ILE 9 HG21 ILE 9 -7.143 5.938 0.582
77 HG22 ILE 9 HG22 ILE 9 -5.712 6.473 -0.300
78 HG23 ILE 9 HG23 ILE 9 -5.700 6.439 1.463
79 HD11 ILE 9 HD11 ILE 9 -5.382 3.265 3.736
80 HD12 ILE 9 HD12 ILE 9 -4.449 4.523 2.925
81 HD13 ILE 9 HD13 ILE 9 -4.262 2.838 2.442
82 H ILE 10 HN ILE 10 -3.882 3.779 -2.088
83 HA ILE 10 HA ILE 10 -3.565 0.858 -1.956
84 HB ILE 10 HB ILE 10 -1.974 1.137 -3.830
85 HG12 ILE 10 HG12 ILE 10 -2.782 3.894 -4.439
86 HG13 ILE 10 HG11 ILE 10 -1.790 3.780 -2.988
87 HG21 ILE 10 HG21 ILE 10 -4.018 2.558 -5.158
88 HG22 ILE 10 HG22 ILE 10 -4.809 1.683 -3.846
89 HG23 ILE 10 HG23 ILE 10 -3.841 0.807 -5.033
90 HD11 ILE 10 HD11 ILE 10 -1.046 2.425 -5.585
91 HD12 ILE 10 HD12 ILE 10 -0.026 2.675 -4.168
92 HD13 ILE 10 HD13 ILE 10 -0.504 4.050 -5.164
93 H PHE 11 HN PHE 11 -1.613 -0.085 -1.286
94 HA PHE 11 HA PHE 11 0.022 1.657 0.441
95 HB2 PHE 11 HB2 PHE 11 -1.090 -0.974 0.757
96 HB3 PHE 11 HB1 PHE 11 0.668 -1.060 0.867
97 HD1 PHE 11 HD1 PHE 11 1.716 -0.515 2.888
98 HD2 PHE 11 HD2 PHE 11 -2.226 0.992 2.082
99 HE1 PHE 11 HE1 PHE 11 1.617 0.449 5.170
100 HE2 PHE 11 HE2 PHE 11 -2.325 1.956 4.364
101 HZ PHE 11 HZ PHE 11 -0.403 1.684 5.909
102 H ASN 12 HN ASN 12 1.707 2.417 -0.706
103 HA ASN 12 HA ASN 12 3.476 0.433 -1.973
104 HB2 ASN 12 HB2 ASN 12 2.157 2.765 -3.256
105 HB3 ASN 12 HB1 ASN 12 3.853 2.495 -3.648
106 HD21 ASN 12 HD21 ASN 12 1.338 0.026 -2.941
107 HD22 ASN 12 HD22 ASN 12 1.453 -0.736 -4.459
108 H GLU 13 HN GLU 13 4.642 0.728 0.047
109 HA GLU 13 HA GLU 13 6.165 3.266 0.141
110 HB2 GLU 13 HB2 GLU 13 4.734 1.853 2.186
111 HB3 GLU 13 HB1 GLU 13 6.453 1.855 2.582
112 HG2 GLU 13 HG2 GLU 13 6.552 4.278 2.327
113 HG3 GLU 13 HG1 GLU 13 4.870 4.319 1.804
114 H ARG 14 HN ARG 14 8.404 3.137 0.606
115 HA ARG 14 HA ARG 14 9.819 1.130 -0.730
116 HB2 ARG 14 HB2 ARG 14 10.760 3.353 -0.231
117 HB3 ARG 14 HB1 ARG 14 10.815 2.941 1.484
118 HG2 ARG 14 HG2 ARG 14 12.396 1.162 1.077
119 HG3 ARG 14 HG1 ARG 14 12.219 1.338 -0.669
120 HD2 ARG 14 HD2 ARG 14 14.254 2.468 0.596
121 HD3 ARG 14 HD1 ARG 14 13.455 3.295 -0.739
122 HE ARG 14 HE ARG 14 12.351 3.866 1.889
123 HH11 ARG 14 HH11 ARG 14 12.547 6.029 2.553
124 HH12 ARG 14 HH12 ARG 14 13.595 7.103 1.689
125 HH21 ARG 14 HH21 ARG 14 14.610 4.699 -0.595
126 HH22 ARG 14 HH22 ARG 14 14.764 6.350 -0.094
Start of MODEL 6
1 H1 GLY 1 HN GLY 1 9.403 0.745 -2.596
2 HA2 GLY 1 HA2 GLY 1 9.428 -0.991 -4.175
3 HA3 GLY 1 HA1 GLY 1 9.887 -2.117 -2.898
4 H SER 2 HN SER 2 7.198 0.179 -2.871
5 HA SER 2 HA SER 2 4.907 -0.154 -2.990
6 HB2 SER 2 HB2 SER 2 4.044 -2.029 -3.987
7 HB3 SER 2 HB1 SER 2 5.716 -2.215 -4.502
8 HG SER 2 HG SER 2 4.247 -3.800 -2.923
9 H LYS 3 HN LYS 3 3.409 -2.227 -1.805
10 HA LYS 3 HA LYS 3 4.378 -3.047 0.719
11 HB2 LYS 3 HB2 LYS 3 4.329 -0.643 1.240
12 HB3 LYS 3 HB1 LYS 3 2.633 -0.577 0.776
13 HG2 LYS 3 HG2 LYS 3 1.964 -1.401 2.765
14 HG3 LYS 3 HG1 LYS 3 3.131 -2.721 2.679
15 HD2 LYS 3 HD2 LYS 3 3.904 0.109 3.422
16 HD3 LYS 3 HD1 LYS 3 3.465 -1.111 4.617
17 HE2 LYS 3 HE2 LYS 3 5.402 -2.134 2.690
18 HE3 LYS 3 HE1 LYS 3 6.008 -0.713 3.541
19 HZ1 LYS 3 HZ1 LYS 3 5.683 -3.344 4.505
20 HZ2 LYS 3 HZ2 LYS 3 4.725 -2.285 5.427
21 HZ3 LYS 3 HZ3 LYS 3 6.394 -2.010 5.273
22 H ARG 4 HN ARG 4 1.204 -1.564 0.134
23 HA ARG 4 HA ARG 4 -0.018 -4.151 -0.407
24 HB2 ARG 4 HB2 ARG 4 -0.598 -2.609 2.131
25 HB3 ARG 4 HB1 ARG 4 -1.615 -3.908 1.514
26 HG2 ARG 4 HG2 ARG 4 0.509 -5.355 1.513
27 HG3 ARG 4 HG1 ARG 4 1.240 -4.078 2.485
28 HD2 ARG 4 HD2 ARG 4 0.273 -5.861 3.903
29 HD3 ARG 4 HD1 ARG 4 -0.522 -4.312 4.168
30 HE ARG 4 HE ARG 4 -2.477 -5.269 3.382
31 HH11 ARG 4 HH11 ARG 4 -3.710 -6.917 2.424
32 HH12 ARG 4 HH12 ARG 4 -2.915 -8.242 1.639
33 HH21 ARG 4 HH21 ARG 4 0.278 -7.065 2.305
34 HH22 ARG 4 HH22 ARG 4 -0.657 -8.325 1.572
35 H PHE 5 HN PHE 5 -2.587 -3.721 -0.184
36 HA PHE 5 HA PHE 5 -3.224 -1.101 -1.367
37 HB2 PHE 5 HB2 PHE 5 -4.679 -3.313 -2.611
38 HB3 PHE 5 HB1 PHE 5 -3.878 -1.930 -3.358
39 HD1 PHE 5 HD1 PHE 5 -3.697 -5.448 -2.723
40 HD2 PHE 5 HD2 PHE 5 -1.286 -1.968 -3.446
41 HE1 PHE 5 HE1 PHE 5 -1.799 -6.900 -3.383
42 HE2 PHE 5 HE2 PHE 5 0.613 -3.420 -4.107
43 HZ PHE 5 HZ PHE 5 0.356 -5.887 -4.074
44 H ARG 6 HN ARG 6 -5.218 -0.310 -0.814
45 HA ARG 6 HA ARG 6 -7.073 -2.114 0.597
46 HB2 ARG 6 HB2 ARG 6 -5.845 0.396 1.727
47 HB3 ARG 6 HB1 ARG 6 -7.445 -0.131 2.238
48 HG2 ARG 6 HG2 ARG 6 -5.242 -2.153 2.205
49 HG3 ARG 6 HG1 ARG 6 -5.269 -0.965 3.507
50 HD2 ARG 6 HD2 ARG 6 -7.295 -1.729 4.350
51 HD3 ARG 6 HD1 ARG 6 -7.802 -2.404 2.806
52 HE ARG 6 HE ARG 6 -6.705 -4.373 3.367
53 HH11 ARG 6 HH11 ARG 6 -5.494 -5.693 4.763
54 HH12 ARG 6 HH12 ARG 6 -4.654 -4.986 6.102
55 HH21 ARG 6 HH21 ARG 6 -5.689 -1.755 5.390
56 HH22 ARG 6 HH22 ARG 6 -4.765 -2.757 6.457
57 HA DPR 7 HA DPR 7 -10.309 -0.607 -1.968
58 HB2 DPR 7 HB1 DPR 7 -8.251 0.012 -4.067
59 HB3 DPR 7 HB2 DPR 7 -9.872 -0.684 -4.259
60 HG2 DPR 7 HG1 DPR 7 -7.635 -2.187 -4.195
61 HG3 DPR 7 HG2 DPR 7 -9.189 -2.760 -3.571
62 HD2 DPR 7 HD1 DPR 7 -6.736 -2.088 -2.102
63 HD3 DPR 7 HD2 DPR 7 -8.179 -2.942 -1.519
64 HA PRO 8 HA PRO 8 -10.854 3.817 -1.859
65 HB2 PRO 8 HB2 PRO 8 -10.220 3.623 1.058
66 HB3 PRO 8 HB1 PRO 8 -11.587 4.413 0.255
67 HG2 PRO 8 HG2 PRO 8 -11.779 2.027 1.501
68 HG3 PRO 8 HG1 PRO 8 -12.791 2.498 0.127
69 HD2 PRO 8 HD2 PRO 8 -10.650 0.476 0.230
70 HD3 PRO 8 HD1 PRO 8 -11.912 0.717 -0.999
71 H ILE 9 HN ILE 9 -8.035 2.312 -0.397
72 HA ILE 9 HA ILE 9 -6.409 4.586 -1.277
73 HB ILE 9 HB ILE 9 -5.172 4.339 1.011
74 HG12 ILE 9 HG12 ILE 9 -7.868 3.791 2.132
75 HG13 ILE 9 HG11 ILE 9 -7.023 2.404 1.443
76 HG21 ILE 9 HG21 ILE 9 -6.637 6.090 1.961
77 HG22 ILE 9 HG22 ILE 9 -7.877 5.691 0.774
78 HG23 ILE 9 HG23 ILE 9 -6.338 6.371 0.247
79 HD11 ILE 9 HD11 ILE 9 -5.168 2.671 2.909
80 HD12 ILE 9 HD12 ILE 9 -6.592 2.885 3.928
81 HD13 ILE 9 HD13 ILE 9 -5.679 4.292 3.382
82 H ILE 10 HN ILE 10 -4.274 4.096 -1.710
83 HA ILE 10 HA ILE 10 -3.668 1.216 -1.855
84 HB ILE 10 HB ILE 10 -2.228 1.696 -3.685
85 HG12 ILE 10 HG12 ILE 10 -2.232 4.380 -4.236
86 HG13 ILE 10 HG11 ILE 10 -2.173 4.402 -2.477
87 HG21 ILE 10 HG21 ILE 10 -3.782 2.416 -5.238
88 HG22 ILE 10 HG22 ILE 10 -4.345 3.740 -4.218
89 HG23 ILE 10 HG23 ILE 10 -4.846 2.085 -3.872
90 HD11 ILE 10 HD11 ILE 10 -0.217 3.174 -4.411
91 HD12 ILE 10 HD12 ILE 10 -0.295 2.618 -2.740
92 HD13 ILE 10 HD13 ILE 10 0.098 4.300 -3.092
93 H PHE 11 HN PHE 11 -1.640 0.433 -1.183
94 HA PHE 11 HA PHE 11 -0.180 2.217 0.674
95 HB2 PHE 11 HB2 PHE 11 -1.387 -0.366 1.067
96 HB3 PHE 11 HB1 PHE 11 0.355 -0.480 1.313
97 HD1 PHE 11 HD1 PHE 11 1.483 1.083 2.933
98 HD2 PHE 11 HD2 PHE 11 -2.790 0.772 2.616
99 HE1 PHE 11 HE1 PHE 11 1.240 2.184 5.143
100 HE2 PHE 11 HE2 PHE 11 -3.034 1.874 4.826
101 HZ PHE 11 HZ PHE 11 -1.019 2.579 6.089
102 H ASN 12 HN ASN 12 1.719 2.786 -0.200
103 HA ASN 12 HA ASN 12 3.344 0.679 -1.465
104 HB2 ASN 12 HB2 ASN 12 3.987 2.151 -3.276
105 HB3 ASN 12 HB1 ASN 12 2.229 2.024 -3.240
106 HD21 ASN 12 HD21 ASN 12 1.805 3.812 -0.971
107 HD22 ASN 12 HD22 ASN 12 2.198 5.384 -1.496
108 H GLU 13 HN GLU 13 5.331 0.597 -0.665
109 HA GLU 13 HA GLU 13 6.535 3.044 0.458
110 HB2 GLU 13 HB2 GLU 13 5.521 1.200 2.124
111 HB3 GLU 13 HB1 GLU 13 7.099 0.471 1.835
112 HG2 GLU 13 HG2 GLU 13 7.550 1.871 3.650
113 HG3 GLU 13 HG1 GLU 13 8.002 2.891 2.285
114 H ARG 14 HN ARG 14 8.838 1.476 1.389
115 HA ARG 14 HA ARG 14 10.522 1.669 -0.817
116 HB2 ARG 14 HB2 ARG 14 11.221 1.422 1.604
117 HB3 ARG 14 HB1 ARG 14 10.897 -0.304 1.445
118 HG2 ARG 14 HG2 ARG 14 13.029 -0.476 0.708
119 HG3 ARG 14 HG1 ARG 14 12.436 0.243 -0.790
120 HD2 ARG 14 HD2 ARG 14 13.754 1.630 1.546
121 HD3 ARG 14 HD1 ARG 14 14.276 1.601 -0.136
122 HE ARG 14 HE ARG 14 12.210 3.300 1.011
123 HH11 ARG 14 HH11 ARG 14 11.394 4.882 -0.400
124 HH12 ARG 14 HH12 ARG 14 11.751 4.792 -2.093
125 HH21 ARG 14 HH21 ARG 14 13.643 1.900 -1.810
126 HH22 ARG 14 HH22 ARG 14 13.024 3.104 -2.891
Start of MODEL 7
1 H1 GLY 1 HN GLY 1 7.857 1.613 2.720
2 HA2 GLY 1 HA2 GLY 1 8.512 -0.054 4.228
3 HA3 GLY 1 HA1 GLY 1 7.631 0.783 5.503
4 H SER 2 HN SER 2 6.009 0.268 2.501
5 HA SER 2 HA SER 2 4.738 -2.205 3.402
6 HB2 SER 2 HB2 SER 2 3.001 0.156 2.717
7 HB3 SER 2 HB1 SER 2 2.540 -1.357 3.492
8 HG SER 2 HG SER 2 3.702 -0.729 5.308
9 H LYS 3 HN LYS 3 2.973 -2.820 1.728
10 HA LYS 3 HA LYS 3 3.213 -1.825 -0.929
11 HB2 LYS 3 HB2 LYS 3 4.236 -3.874 -1.934
12 HB3 LYS 3 HB1 LYS 3 5.356 -2.927 -0.959
13 HG2 LYS 3 HG2 LYS 3 5.361 -4.492 0.789
14 HG3 LYS 3 HG1 LYS 3 3.826 -5.205 0.288
15 HD2 LYS 3 HD2 LYS 3 6.156 -5.325 -1.593
16 HD3 LYS 3 HD1 LYS 3 6.106 -6.442 -0.228
17 HE2 LYS 3 HE2 LYS 3 3.616 -6.135 -1.845
18 HE3 LYS 3 HE1 LYS 3 4.949 -7.036 -2.565
19 HZ1 LYS 3 HZ1 LYS 3 4.609 -7.798 0.132
20 HZ2 LYS 3 HZ2 LYS 3 4.502 -8.754 -1.268
21 HZ3 LYS 3 HZ3 LYS 3 3.129 -7.939 -0.684
22 H ARG 4 HN ARG 4 0.982 -2.061 0.386
23 HA ARG 4 HA ARG 4 -0.332 -4.435 -0.781
24 HB2 ARG 4 HB2 ARG 4 -1.160 -3.235 1.858
25 HB3 ARG 4 HB1 ARG 4 -1.627 -4.789 1.168
26 HG2 ARG 4 HG2 ARG 4 0.992 -5.220 1.223
27 HG3 ARG 4 HG1 ARG 4 0.937 -3.997 2.494
28 HD2 ARG 4 HD2 ARG 4 -0.869 -5.340 3.612
29 HD3 ARG 4 HD1 ARG 4 -0.610 -6.600 2.409
30 HE ARG 4 HE ARG 4 1.017 -6.096 4.702
31 HH11 ARG 4 HH11 ARG 4 2.927 -7.308 4.903
32 HH12 ARG 4 HH12 ARG 4 3.585 -8.115 3.519
33 HH21 ARG 4 HH21 ARG 4 1.086 -7.036 1.371
34 HH22 ARG 4 HH22 ARG 4 2.542 -7.961 1.520
35 H PHE 5 HN PHE 5 -2.603 -4.139 -1.236
36 HA PHE 5 HA PHE 5 -3.251 -1.320 -1.833
37 HB2 PHE 5 HB2 PHE 5 -4.886 -3.449 -3.056
38 HB3 PHE 5 HB1 PHE 5 -4.185 -2.004 -3.785
39 HD1 PHE 5 HD1 PHE 5 -4.077 -5.445 -3.957
40 HD2 PHE 5 HD2 PHE 5 -1.422 -2.086 -3.587
41 HE1 PHE 5 HE1 PHE 5 -2.228 -6.802 -4.899
42 HE2 PHE 5 HE2 PHE 5 0.426 -3.445 -4.529
43 HZ PHE 5 HZ PHE 5 0.024 -5.802 -5.185
44 H ARG 6 HN ARG 6 -5.150 -0.422 -1.126
45 HA ARG 6 HA ARG 6 -7.037 -2.153 0.328
46 HB2 ARG 6 HB2 ARG 6 -5.572 0.220 1.476
47 HB3 ARG 6 HB1 ARG 6 -7.167 -0.229 2.068
48 HG2 ARG 6 HG2 ARG 6 -5.093 -2.371 1.810
49 HG3 ARG 6 HG1 ARG 6 -4.985 -1.251 3.167
50 HD2 ARG 6 HD2 ARG 6 -7.648 -2.467 2.570
51 HD3 ARG 6 HD1 ARG 6 -6.429 -3.487 3.327
52 HE ARG 6 HE ARG 6 -7.900 -1.407 4.603
53 HH11 ARG 6 HH11 ARG 6 -7.304 -0.851 6.722
54 HH12 ARG 6 HH12 ARG 6 -5.746 -1.310 7.325
55 HH21 ARG 6 HH21 ARG 6 -4.775 -2.879 4.389
56 HH22 ARG 6 HH22 ARG 6 -4.314 -2.457 6.005
57 HA DPR 7 HA DPR 7 -10.385 -0.336 -1.816
58 HB2 DPR 7 HB1 DPR 7 -8.561 -0.079 -4.186
59 HB3 DPR 7 HB2 DPR 7 -10.243 -0.640 -4.116
60 HG2 DPR 7 HG1 DPR 7 -8.103 -2.307 -4.209
61 HG3 DPR 7 HG2 DPR 7 -9.638 -2.729 -3.435
62 HD2 DPR 7 HD1 DPR 7 -7.026 -2.252 -2.197
63 HD3 DPR 7 HD2 DPR 7 -8.508 -2.886 -1.450
64 HA PRO 8 HA PRO 8 -10.186 4.089 -2.111
65 HB2 PRO 8 HB2 PRO 8 -10.035 4.765 0.600
66 HB3 PRO 8 HB1 PRO 8 -11.531 4.444 -0.296
67 HG2 PRO 8 HG2 PRO 8 -9.991 2.676 1.519
68 HG3 PRO 8 HG1 PRO 8 -11.741 2.794 1.262
69 HD2 PRO 8 HD2 PRO 8 -10.285 0.753 0.224
70 HD3 PRO 8 HD1 PRO 8 -11.701 1.420 -0.619
71 H ILE 9 HN ILE 9 -7.815 2.491 -0.042
72 HA ILE 9 HA ILE 9 -5.851 4.575 -0.784
73 HB ILE 9 HB ILE 9 -4.777 3.868 1.500
74 HG12 ILE 9 HG12 ILE 9 -7.589 3.554 2.415
75 HG13 ILE 9 HG11 ILE 9 -6.876 2.161 1.602
76 HG21 ILE 9 HG21 ILE 9 -5.368 6.097 1.411
77 HG22 ILE 9 HG22 ILE 9 -6.556 5.536 2.588
78 HG23 ILE 9 HG23 ILE 9 -7.019 5.749 0.899
79 HD11 ILE 9 HD11 ILE 9 -6.505 2.139 4.077
80 HD12 ILE 9 HD12 ILE 9 -5.581 3.632 3.912
81 HD13 ILE 9 HD13 ILE 9 -5.002 2.149 3.153
82 H ILE 10 HN ILE 10 -3.742 3.901 -1.156
83 HA ILE 10 HA ILE 10 -3.364 0.980 -1.416
84 HB ILE 10 HB ILE 10 -3.617 2.314 -3.593
85 HG12 ILE 10 HG12 ILE 10 -1.252 0.564 -2.914
86 HG13 ILE 10 HG11 ILE 10 -2.740 0.122 -3.754
87 HG21 ILE 10 HG21 ILE 10 -1.864 3.697 -4.320
88 HG22 ILE 10 HG22 ILE 10 -0.745 3.080 -3.109
89 HG23 ILE 10 HG23 ILE 10 -2.051 4.165 -2.632
90 HD11 ILE 10 HD11 ILE 10 -0.353 1.618 -4.785
91 HD12 ILE 10 HD12 ILE 10 -1.938 1.943 -5.489
92 HD13 ILE 10 HD13 ILE 10 -1.267 0.314 -5.544
93 H PHE 11 HN PHE 11 -1.895 0.258 -0.042
94 HA PHE 11 HA PHE 11 0.020 2.079 1.171
95 HB2 PHE 11 HB2 PHE 11 -0.794 -0.774 1.640
96 HB3 PHE 11 HB1 PHE 11 0.711 -0.163 2.323
97 HD1 PHE 11 HD1 PHE 11 0.532 2.170 3.551
98 HD2 PHE 11 HD2 PHE 11 -2.781 -0.470 2.832
99 HE1 PHE 11 HE1 PHE 11 -0.737 3.264 5.379
100 HE2 PHE 11 HE2 PHE 11 -4.049 0.624 4.661
101 HZ PHE 11 HZ PHE 11 -3.026 2.491 5.934
102 H ASN 12 HN ASN 12 1.090 2.492 -0.939
103 HA ASN 12 HA ASN 12 2.886 0.314 -1.782
104 HB2 ASN 12 HB2 ASN 12 1.916 1.083 -3.725
105 HB3 ASN 12 HB1 ASN 12 1.766 2.733 -3.122
106 HD21 ASN 12 HD21 ASN 12 4.724 0.705 -3.112
107 HD22 ASN 12 HD22 ASN 12 5.615 1.734 -4.135
108 H GLU 13 HN GLU 13 4.799 0.317 -0.786
109 HA GLU 13 HA GLU 13 6.914 1.087 -0.241
110 HB2 GLU 13 HB2 GLU 13 6.255 2.897 -2.095
111 HB3 GLU 13 HB1 GLU 13 6.224 3.948 -0.679
112 HG2 GLU 13 HG2 GLU 13 8.516 2.798 -0.119
113 HG3 GLU 13 HG1 GLU 13 8.525 2.405 -1.838
114 H ARG 14 HN ARG 14 7.408 3.679 1.012
115 HA ARG 14 HA ARG 14 7.468 4.505 3.158
116 HB2 ARG 14 HB2 ARG 14 5.269 5.375 2.447
117 HB3 ARG 14 HB1 ARG 14 4.504 3.889 3.011
118 HG2 ARG 14 HG2 ARG 14 4.588 4.534 5.182
119 HG3 ARG 14 HG1 ARG 14 6.230 5.158 5.026
120 HD2 ARG 14 HD2 ARG 14 4.641 6.976 5.524
121 HD3 ARG 14 HD1 ARG 14 5.366 7.188 3.934
122 HE ARG 14 HE ARG 14 3.107 5.853 3.327
123 HH11 ARG 14 HH11 ARG 14 1.066 6.797 3.019
124 HH12 ARG 14 HH12 ARG 14 0.677 8.286 3.815
125 HH21 ARG 14 HH21 ARG 14 3.757 8.557 5.386
126 HH22 ARG 14 HH22 ARG 14 2.200 9.282 5.154
Start of MODEL 8
1 H1 GLY 1 HN GLY 1 9.139 -1.206 0.128
2 HA2 GLY 1 HA2 GLY 1 9.782 -2.997 1.603
3 HA3 GLY 1 HA1 GLY 1 9.753 -1.854 2.942
4 H SER 2 HN SER 2 7.147 -0.995 1.233
5 HA SER 2 HA SER 2 5.355 -3.028 2.396
6 HB2 SER 2 HB2 SER 2 5.637 -0.290 3.250
7 HB3 SER 2 HB1 SER 2 4.023 -0.554 2.596
8 HG SER 2 HG SER 2 4.744 -2.660 4.078
9 H LYS 3 HN LYS 3 4.550 -3.916 0.587
10 HA LYS 3 HA LYS 3 3.403 -2.104 -1.455
11 HB2 LYS 3 HB2 LYS 3 5.283 -3.315 -2.396
12 HB3 LYS 3 HB1 LYS 3 4.637 -4.846 -1.805
13 HG2 LYS 3 HG2 LYS 3 2.854 -4.833 -3.336
14 HG3 LYS 3 HG1 LYS 3 2.987 -3.096 -3.615
15 HD2 LYS 3 HD2 LYS 3 3.869 -4.399 -5.532
16 HD3 LYS 3 HD1 LYS 3 5.128 -3.425 -4.772
17 HE2 LYS 3 HE2 LYS 3 6.120 -5.290 -3.736
18 HE3 LYS 3 HE1 LYS 3 4.668 -6.274 -3.910
19 HZ1 LYS 3 HZ1 LYS 3 6.826 -5.882 -5.743
20 HZ2 LYS 3 HZ2 LYS 3 5.318 -5.579 -6.465
21 HZ3 LYS 3 HZ3 LYS 3 5.625 -7.080 -5.730
22 H ARG 4 HN ARG 4 1.385 -2.066 -0.382
23 HA ARG 4 HA ARG 4 -0.179 -4.536 -0.756
24 HB2 ARG 4 HB2 ARG 4 0.580 -3.738 1.732
25 HB3 ARG 4 HB1 ARG 4 -0.941 -2.863 1.558
26 HG2 ARG 4 HG2 ARG 4 -1.616 -4.933 2.450
27 HG3 ARG 4 HG1 ARG 4 -1.899 -5.129 0.721
28 HD2 ARG 4 HD2 ARG 4 -0.666 -7.025 0.970
29 HD3 ARG 4 HD1 ARG 4 0.706 -5.925 0.910
30 HE ARG 4 HE ARG 4 1.003 -6.228 3.212
31 HH11 ARG 4 HH11 ARG 4 0.593 -7.355 5.141
32 HH12 ARG 4 HH12 ARG 4 -0.837 -8.322 5.286
33 HH21 ARG 4 HH21 ARG 4 -1.971 -7.598 2.091
34 HH22 ARG 4 HH22 ARG 4 -2.287 -8.460 3.559
35 H PHE 5 HN PHE 5 -2.612 -3.954 -0.445
36 HA PHE 5 HA PHE 5 -3.199 -1.279 -1.524
37 HB2 PHE 5 HB2 PHE 5 -4.866 -3.370 -2.695
38 HB3 PHE 5 HB1 PHE 5 -4.020 -2.035 -3.479
39 HD1 PHE 5 HD1 PHE 5 -4.084 -5.559 -2.997
40 HD2 PHE 5 HD2 PHE 5 -1.412 -2.258 -3.642
41 HE1 PHE 5 HE1 PHE 5 -2.340 -7.128 -3.799
42 HE2 PHE 5 HE2 PHE 5 0.332 -3.828 -4.443
43 HZ PHE 5 HZ PHE 5 -0.131 -6.262 -4.521
44 H ARG 6 HN ARG 6 -5.090 -0.394 -0.798
45 HA ARG 6 HA ARG 6 -6.940 -2.125 0.705
46 HB2 ARG 6 HB2 ARG 6 -5.508 0.297 1.794
47 HB3 ARG 6 HB1 ARG 6 -7.074 -0.195 2.427
48 HG2 ARG 6 HG2 ARG 6 -4.936 -2.272 2.148
49 HG3 ARG 6 HG1 ARG 6 -4.840 -1.136 3.491
50 HD2 ARG 6 HD2 ARG 6 -7.474 -2.439 2.964
51 HD3 ARG 6 HD1 ARG 6 -6.207 -3.418 3.695
52 HE ARG 6 HE ARG 6 -7.705 -1.371 4.994
53 HH11 ARG 6 HH11 ARG 6 -7.077 -0.797 7.100
54 HH12 ARG 6 HH12 ARG 6 -5.496 -1.220 7.671
55 HH21 ARG 6 HH21 ARG 6 -4.554 -2.773 4.717
56 HH22 ARG 6 HH22 ARG 6 -4.069 -2.338 6.323
57 HA DPR 7 HA DPR 7 -10.274 -0.376 -1.555
58 HB2 DPR 7 HB1 DPR 7 -8.355 0.162 -3.803
59 HB3 DPR 7 HB2 DPR 7 -10.023 -0.440 -3.874
60 HG2 DPR 7 HG1 DPR 7 -7.865 -2.061 -4.002
61 HG3 DPR 7 HG2 DPR 7 -9.405 -2.564 -3.289
62 HD2 DPR 7 HD1 DPR 7 -6.829 -2.085 -1.972
63 HD3 DPR 7 HD2 DPR 7 -8.290 -2.842 -1.306
64 HA PRO 8 HA PRO 8 -10.539 4.064 -1.315
65 HB2 PRO 8 HB2 PRO 8 -9.638 3.780 1.523
66 HB3 PRO 8 HB1 PRO 8 -11.031 4.659 0.867
67 HG2 PRO 8 HG2 PRO 8 -11.233 2.264 2.095
68 HG3 PRO 8 HG1 PRO 8 -12.349 2.818 0.837
69 HD2 PRO 8 HD2 PRO 8 -10.330 0.676 0.695
70 HD3 PRO 8 HD1 PRO 8 -11.688 1.015 -0.399
71 H ILE 9 HN ILE 9 -7.686 2.378 -0.141
72 HA ILE 9 HA ILE 9 -6.015 4.550 -1.171
73 HB ILE 9 HB ILE 9 -4.595 4.256 0.996
74 HG12 ILE 9 HG12 ILE 9 -7.183 3.841 2.385
75 HG13 ILE 9 HG11 ILE 9 -6.500 2.413 1.606
76 HG21 ILE 9 HG21 ILE 9 -5.755 6.334 0.323
77 HG22 ILE 9 HG22 ILE 9 -5.860 6.080 2.065
78 HG23 ILE 9 HG23 ILE 9 -7.248 5.727 1.037
79 HD11 ILE 9 HD11 ILE 9 -4.458 2.604 2.844
80 HD12 ILE 9 HD12 ILE 9 -5.766 2.792 4.012
81 HD13 ILE 9 HD13 ILE 9 -4.890 4.209 3.432
82 H ILE 10 HN ILE 10 -3.966 3.930 -1.792
83 HA ILE 10 HA ILE 10 -3.523 1.016 -1.911
84 HB ILE 10 HB ILE 10 -2.268 1.360 -3.901
85 HG12 ILE 10 HG12 ILE 10 -2.226 4.020 -4.564
86 HG13 ILE 10 HG11 ILE 10 -1.976 4.105 -2.825
87 HG21 ILE 10 HG21 ILE 10 -4.512 3.387 -4.044
88 HG22 ILE 10 HG22 ILE 10 -4.782 1.644 -4.033
89 HG23 ILE 10 HG23 ILE 10 -3.880 2.387 -5.353
90 HD11 ILE 10 HD11 ILE 10 0.209 3.880 -3.676
91 HD12 ILE 10 HD12 ILE 10 -0.293 2.717 -4.903
92 HD13 ILE 10 HD13 ILE 10 -0.209 2.233 -3.210
93 H PHE 11 HN PHE 11 -1.481 0.158 -1.407
94 HA PHE 11 HA PHE 11 0.243 1.947 0.201
95 HB2 PHE 11 HB2 PHE 11 -0.948 -0.656 0.765
96 HB3 PHE 11 HB1 PHE 11 0.800 -0.648 1.004
97 HD1 PHE 11 HD1 PHE 11 1.795 1.332 2.358
98 HD2 PHE 11 HD2 PHE 11 -2.367 0.267 2.392
99 HE1 PHE 11 HE1 PHE 11 1.497 2.568 4.488
100 HE2 PHE 11 HE2 PHE 11 -2.664 1.503 4.522
101 HZ PHE 11 HZ PHE 11 -0.733 2.653 5.570
102 H ASN 12 HN ASN 12 1.908 2.466 -1.095
103 HA ASN 12 HA ASN 12 3.480 0.249 -2.229
104 HB2 ASN 12 HB2 ASN 12 2.205 1.151 -4.085
105 HB3 ASN 12 HB1 ASN 12 2.698 2.794 -3.662
106 HD21 ASN 12 HD21 ASN 12 3.483 2.307 -6.205
107 HD22 ASN 12 HD22 ASN 12 5.112 1.829 -6.295
108 H GLU 13 HN GLU 13 4.393 1.002 0.022
109 HA GLU 13 HA GLU 13 6.238 3.272 -0.350
110 HB2 GLU 13 HB2 GLU 13 5.484 1.792 2.181
111 HB3 GLU 13 HB1 GLU 13 6.502 3.229 2.080
112 HG2 GLU 13 HG2 GLU 13 4.161 3.872 0.659
113 HG3 GLU 13 HG1 GLU 13 3.613 3.045 2.116
114 H ARG 14 HN ARG 14 8.430 2.997 0.597
115 HA ARG 14 HA ARG 14 9.772 0.806 -0.569
116 HB2 ARG 14 HB2 ARG 14 10.757 3.074 -0.002
117 HB3 ARG 14 HB1 ARG 14 10.844 2.526 1.673
118 HG2 ARG 14 HG2 ARG 14 12.124 0.496 0.798
119 HG3 ARG 14 HG1 ARG 14 12.251 1.358 -0.735
120 HD2 ARG 14 HD2 ARG 14 13.680 1.815 1.789
121 HD3 ARG 14 HD1 ARG 14 14.124 2.275 0.148
122 HE ARG 14 HE ARG 14 12.151 4.025 0.682
123 HH11 ARG 14 HH11 ARG 14 12.400 5.992 1.790
124 HH12 ARG 14 HH12 ARG 14 13.675 6.173 2.947
125 HH21 ARG 14 HH21 ARG 14 14.893 2.957 2.505
126 HH22 ARG 14 HH22 ARG 14 15.087 4.454 3.352
Start of MODEL 9
1 H1 GLY 1 HN GLY 1 8.238 0.962 1.292
2 HA2 GLY 1 HA2 GLY 1 9.402 -0.949 2.015
3 HA3 GLY 1 HA1 GLY 1 9.053 -0.507 3.684
4 H SER 2 HN SER 2 6.580 -0.587 1.197
5 HA SER 2 HA SER 2 5.619 -3.201 2.085
6 HB2 SER 2 HB2 SER 2 4.270 -0.602 2.667
7 HB3 SER 2 HB1 SER 2 3.270 -1.995 2.263
8 HG SER 2 HG SER 2 4.583 -3.121 3.905
9 H LYS 3 HN LYS 3 3.994 -4.094 0.711
10 HA LYS 3 HA LYS 3 3.586 -2.708 -1.862
11 HB2 LYS 3 HB2 LYS 3 4.487 -5.579 -1.517
12 HB3 LYS 3 HB1 LYS 3 4.009 -4.844 -3.046
13 HG2 LYS 3 HG2 LYS 3 5.892 -3.072 -1.951
14 HG3 LYS 3 HG1 LYS 3 6.551 -4.680 -1.656
15 HD2 LYS 3 HD2 LYS 3 7.316 -3.974 -3.833
16 HD3 LYS 3 HD1 LYS 3 6.091 -5.219 -4.080
17 HE2 LYS 3 HE2 LYS 3 4.963 -3.764 -5.374
18 HE3 LYS 3 HE1 LYS 3 4.681 -2.780 -3.937
19 HZ1 LYS 3 HZ1 LYS 3 6.600 -1.519 -4.353
20 HZ2 LYS 3 HZ2 LYS 3 5.820 -1.650 -5.858
21 HZ3 LYS 3 HZ3 LYS 3 7.180 -2.609 -5.515
22 H ARG 4 HN ARG 4 1.590 -2.548 -0.173
23 HA ARG 4 HA ARG 4 -0.295 -4.681 -0.993
24 HB2 ARG 4 HB2 ARG 4 0.411 -3.741 1.681
25 HB3 ARG 4 HB1 ARG 4 -1.323 -3.667 1.366
26 HG2 ARG 4 HG2 ARG 4 -0.682 -5.858 2.295
27 HG3 ARG 4 HG1 ARG 4 -1.303 -6.022 0.652
28 HD2 ARG 4 HD2 ARG 4 0.731 -6.635 -0.199
29 HD3 ARG 4 HD1 ARG 4 1.622 -5.585 0.899
30 HE ARG 4 HE ARG 4 1.023 -8.354 1.315
31 HH11 ARG 4 HH11 ARG 4 1.645 -9.246 3.309
32 HH12 ARG 4 HH12 ARG 4 2.014 -8.203 4.641
33 HH21 ARG 4 HH21 ARG 4 1.403 -5.286 2.870
34 HH22 ARG 4 HH22 ARG 4 1.878 -5.961 4.392
35 H PHE 5 HN PHE 5 -2.579 -3.986 -0.945
36 HA PHE 5 HA PHE 5 -2.932 -1.092 -1.397
37 HB2 PHE 5 HB2 PHE 5 -4.042 -3.287 -3.158
38 HB3 PHE 5 HB1 PHE 5 -4.333 -1.557 -3.347
39 HD1 PHE 5 HD1 PHE 5 -2.657 -0.091 -4.274
40 HD2 PHE 5 HD2 PHE 5 -1.775 -4.229 -3.531
41 HE1 PHE 5 HE1 PHE 5 -0.566 0.118 -5.592
42 HE2 PHE 5 HE2 PHE 5 0.316 -4.019 -4.849
43 HZ PHE 5 HZ PHE 5 0.920 -1.846 -5.879
44 H ARG 6 HN ARG 6 -4.958 -0.261 -0.869
45 HA ARG 6 HA ARG 6 -6.922 -2.143 0.249
46 HB2 ARG 6 HB2 ARG 6 -5.954 0.315 1.727
47 HB3 ARG 6 HB1 ARG 6 -7.171 -0.833 2.280
48 HG2 ARG 6 HG2 ARG 6 -5.337 -2.628 2.000
49 HG3 ARG 6 HG1 ARG 6 -4.209 -1.273 1.928
50 HD2 ARG 6 HD2 ARG 6 -5.560 -0.521 4.103
51 HD3 ARG 6 HD1 ARG 6 -5.856 -2.252 4.218
52 HE ARG 6 HE ARG 6 -3.356 -0.908 4.691
53 HH11 ARG 6 HH11 ARG 6 -1.596 -2.236 5.238
54 HH12 ARG 6 HH12 ARG 6 -1.680 -3.941 4.943
55 HH21 ARG 6 HH21 ARG 6 -4.875 -3.821 3.602
56 HH22 ARG 6 HH22 ARG 6 -3.536 -4.838 4.017
57 HA DPR 7 HA DPR 7 -10.041 -0.123 -2.086
58 HB2 DPR 7 HB1 DPR 7 -7.930 0.618 -4.089
59 HB3 DPR 7 HB2 DPR 7 -9.587 0.044 -4.367
60 HG2 DPR 7 HG1 DPR 7 -7.427 -1.576 -4.470
61 HG3 DPR 7 HG2 DPR 7 -9.026 -2.135 -3.953
62 HD2 DPR 7 HD1 DPR 7 -6.577 -1.819 -2.369
63 HD3 DPR 7 HD2 DPR 7 -8.093 -2.625 -1.917
64 HA PRO 8 HA PRO 8 -10.333 4.292 -1.503
65 HB2 PRO 8 HB2 PRO 8 -9.799 3.703 1.385
66 HB3 PRO 8 HB1 PRO 8 -11.077 4.693 0.655
67 HG2 PRO 8 HG2 PRO 8 -11.499 2.201 1.585
68 HG3 PRO 8 HG1 PRO 8 -12.412 2.906 0.241
69 HD2 PRO 8 HD2 PRO 8 -10.422 0.730 0.177
70 HD3 PRO 8 HD1 PRO 8 -11.611 1.204 -1.056
71 H ILE 9 HN ILE 9 -7.641 2.461 -0.180
72 HA ILE 9 HA ILE 9 -5.867 4.719 -0.753
73 HB ILE 9 HB ILE 9 -4.750 3.986 1.580
74 HG12 ILE 9 HG12 ILE 9 -7.653 3.950 2.332
75 HG13 ILE 9 HG11 ILE 9 -6.898 2.446 1.804
76 HG21 ILE 9 HG21 ILE 9 -7.033 5.950 1.225
77 HG22 ILE 9 HG22 ILE 9 -5.327 6.275 0.919
78 HG23 ILE 9 HG23 ILE 9 -5.884 5.963 2.563
79 HD11 ILE 9 HD11 ILE 9 -5.238 2.572 3.535
80 HD12 ILE 9 HD12 ILE 9 -6.801 2.857 4.301
81 HD13 ILE 9 HD13 ILE 9 -5.726 4.212 3.962
82 H ILE 10 HN ILE 10 -3.686 4.160 -1.036
83 HA ILE 10 HA ILE 10 -3.278 1.340 -1.733
84 HB ILE 10 HB ILE 10 -1.588 2.044 -3.185
85 HG12 ILE 10 HG12 ILE 10 -1.351 4.448 -1.359
86 HG13 ILE 10 HG11 ILE 10 -0.129 3.225 -1.708
87 HG21 ILE 10 HG21 ILE 10 -2.656 3.539 -4.563
88 HG22 ILE 10 HG22 ILE 10 -3.026 4.657 -3.251
89 HG23 ILE 10 HG23 ILE 10 -3.988 3.193 -3.462
90 HD11 ILE 10 HD11 ILE 10 0.617 4.886 -3.116
91 HD12 ILE 10 HD12 ILE 10 -0.999 5.553 -3.359
92 HD13 ILE 10 HD13 ILE 10 -0.514 4.082 -4.205
93 H PHE 11 HN PHE 11 -1.290 0.262 -1.068
94 HA PHE 11 HA PHE 11 -0.091 1.362 1.391
95 HB2 PHE 11 HB2 PHE 11 -1.898 -0.735 1.345
96 HB3 PHE 11 HB1 PHE 11 -0.338 -1.549 1.361
97 HD1 PHE 11 HD1 PHE 11 -2.696 0.467 3.244
98 HD2 PHE 11 HD2 PHE 11 1.323 -1.036 3.154
99 HE1 PHE 11 HE1 PHE 11 -2.451 0.985 5.661
100 HE2 PHE 11 HE2 PHE 11 1.572 -0.520 5.570
101 HZ PHE 11 HZ PHE 11 -0.315 0.491 6.823
102 H ASN 12 HN ASN 12 0.918 1.514 -1.232
103 HA ASN 12 HA ASN 12 3.042 -0.514 -1.323
104 HB2 ASN 12 HB2 ASN 12 3.168 -0.172 -3.583
105 HB3 ASN 12 HB1 ASN 12 1.498 0.332 -3.335
106 HD21 ASN 12 HD21 ASN 12 2.009 2.881 -2.084
107 HD22 ASN 12 HD22 ASN 12 2.723 3.898 -3.249
108 H GLU 13 HN GLU 13 5.236 0.116 -1.603
109 HA GLU 13 HA GLU 13 7.105 1.450 -1.341
110 HB2 GLU 13 HB2 GLU 13 5.323 3.266 -2.281
111 HB3 GLU 13 HB1 GLU 13 5.617 3.920 -0.670
112 HG2 GLU 13 HG2 GLU 13 7.303 4.926 -1.959
113 HG3 GLU 13 HG1 GLU 13 8.134 3.550 -1.234
114 H ARG 14 HN ARG 14 7.588 3.494 0.477
115 HA ARG 14 HA ARG 14 8.164 3.717 2.695
116 HB2 ARG 14 HB2 ARG 14 5.238 3.147 2.658
117 HB3 ARG 14 HB1 ARG 14 6.058 3.099 4.219
118 HG2 ARG 14 HG2 ARG 14 6.947 5.360 3.843
119 HG3 ARG 14 HG1 ARG 14 6.166 5.413 2.262
120 HD2 ARG 14 HD2 ARG 14 3.983 4.896 3.588
121 HD3 ARG 14 HD1 ARG 14 4.899 5.435 4.992
122 HE ARG 14 HE ARG 14 4.660 7.603 4.220
123 HH11 ARG 14 HH11 ARG 14 4.058 9.183 2.703
124 HH12 ARG 14 HH12 ARG 14 3.657 8.713 1.084
125 HH21 ARG 14 HH21 ARG 14 4.192 5.335 1.650
126 HH22 ARG 14 HH22 ARG 14 3.732 6.534 0.488
Start of MODEL 10
1 H1 GLY 1 HN GLY 1 9.837 -0.004 -0.682
2 HA2 GLY 1 HA2 GLY 1 10.943 -1.959 -1.425
3 HA3 GLY 1 HA1 GLY 1 11.285 -2.375 0.253
4 H SER 2 HN SER 2 8.212 -1.447 0.417
5 HA SER 2 HA SER 2 7.041 -3.986 -0.502
6 HB2 SER 2 HB2 SER 2 5.940 -3.166 2.056
7 HB3 SER 2 HB1 SER 2 6.568 -4.736 1.560
8 HG SER 2 HG SER 2 8.429 -2.712 1.937
9 H LYS 3 HN LYS 3 4.519 -3.803 0.112
10 HA LYS 3 HA LYS 3 3.304 -1.260 0.097
11 HB2 LYS 3 HB2 LYS 3 2.478 -1.226 -2.260
12 HB3 LYS 3 HB1 LYS 3 4.213 -0.962 -2.128
13 HG2 LYS 3 HG2 LYS 3 4.702 -3.202 -2.823
14 HG3 LYS 3 HG1 LYS 3 3.016 -3.694 -2.649
15 HD2 LYS 3 HD2 LYS 3 2.455 -2.882 -4.685
16 HD3 LYS 3 HD1 LYS 3 3.378 -1.399 -4.441
17 HE2 LYS 3 HE2 LYS 3 5.463 -2.590 -4.966
18 HE3 LYS 3 HE1 LYS 3 4.565 -4.094 -5.171
19 HZ1 LYS 3 HZ1 LYS 3 4.953 -1.983 -7.019
20 HZ2 LYS 3 HZ2 LYS 3 3.292 -2.222 -6.747
21 HZ3 LYS 3 HZ3 LYS 3 4.265 -3.512 -7.272
22 H ARG 4 HN ARG 4 1.027 -1.364 0.025
23 HA ARG 4 HA ARG 4 -0.160 -4.043 -0.215
24 HB2 ARG 4 HB2 ARG 4 -0.330 -2.225 2.188
25 HB3 ARG 4 HB1 ARG 4 -1.527 -3.479 1.874
26 HG2 ARG 4 HG2 ARG 4 0.336 -5.155 1.776
27 HG3 ARG 4 HG1 ARG 4 1.454 -3.876 2.252
28 HD2 ARG 4 HD2 ARG 4 -0.486 -5.371 3.879
29 HD3 ARG 4 HD1 ARG 4 0.977 -4.524 4.371
30 HE ARG 4 HE ARG 4 -1.244 -2.796 3.648
31 HH11 ARG 4 HH11 ARG 4 -2.057 -1.526 5.347
32 HH12 ARG 4 HH12 ARG 4 -1.599 -1.878 6.980
33 HH21 ARG 4 HH21 ARG 4 0.419 -4.562 6.116
34 HH22 ARG 4 HH22 ARG 4 -0.198 -3.596 7.415
35 H PHE 5 HN PHE 5 -2.721 -3.526 0.428
36 HA PHE 5 HA PHE 5 -3.506 -1.280 -1.334
37 HB2 PHE 5 HB2 PHE 5 -3.841 -3.995 -1.863
38 HB3 PHE 5 HB1 PHE 5 -5.418 -3.465 -1.281
39 HD1 PHE 5 HD1 PHE 5 -6.877 -2.330 -2.726
40 HD2 PHE 5 HD2 PHE 5 -2.680 -2.472 -3.636
41 HE1 PHE 5 HE1 PHE 5 -7.312 -1.232 -4.906
42 HE2 PHE 5 HE2 PHE 5 -3.117 -1.373 -5.816
43 HZ PHE 5 HZ PHE 5 -5.432 -0.753 -6.452
44 H ARG 6 HN ARG 6 -5.443 -0.210 -0.829
45 HA ARG 6 HA ARG 6 -6.766 -0.969 1.684
46 HB2 ARG 6 HB2 ARG 6 -5.265 1.571 1.210
47 HB3 ARG 6 HB1 ARG 6 -6.784 1.662 2.096
48 HG2 ARG 6 HG2 ARG 6 -4.774 -0.442 2.835
49 HG3 ARG 6 HG1 ARG 6 -4.545 1.213 3.398
50 HD2 ARG 6 HD2 ARG 6 -7.269 0.062 3.729
51 HD3 ARG 6 HD1 ARG 6 -6.005 -0.596 4.762
52 HE ARG 6 HE ARG 6 -7.158 2.042 4.933
53 HH11 ARG 6 HH11 ARG 6 -6.346 3.369 6.587
54 HH12 ARG 6 HH12 ARG 6 -4.864 2.950 7.379
55 HH21 ARG 6 HH21 ARG 6 -4.368 0.075 5.504
56 HH22 ARG 6 HH22 ARG 6 -3.745 1.084 6.767
57 HA DPR 7 HA DPR 7 -10.656 -0.387 -0.234
58 HB2 DPR 7 HB1 DPR 7 -9.500 -1.644 -2.697
59 HB3 DPR 7 HB2 DPR 7 -11.047 -1.960 -1.890
60 HG2 DPR 7 HG1 DPR 7 -8.872 -3.534 -1.593
61 HG3 DPR 7 HG2 DPR 7 -10.089 -3.315 -0.326
62 HD2 DPR 7 HD1 DPR 7 -7.298 -2.374 -0.411
63 HD3 DPR 7 HD2 DPR 7 -8.408 -2.464 0.974
64 HA PRO 8 HA PRO 8 -10.825 2.947 -3.183
65 HB2 PRO 8 HB2 PRO 8 -10.662 5.124 -1.492
66 HB3 PRO 8 HB1 PRO 8 -12.137 4.173 -1.754
67 HG2 PRO 8 HG2 PRO 8 -10.174 4.054 0.478
68 HG3 PRO 8 HG1 PRO 8 -11.942 3.912 0.514
69 HD2 PRO 8 HD2 PRO 8 -10.321 1.732 0.691
70 HD3 PRO 8 HD1 PRO 8 -11.914 1.666 -0.094
71 H ILE 9 HN ILE 9 -8.116 2.708 -0.987
72 HA ILE 9 HA ILE 9 -6.483 4.223 -2.930
73 HB ILE 9 HB ILE 9 -5.176 5.068 -0.894
74 HG12 ILE 9 HG12 ILE 9 -7.668 4.879 0.689
75 HG13 ILE 9 HG11 ILE 9 -6.790 3.362 0.489
76 HG21 ILE 9 HG21 ILE 9 -6.267 6.863 -1.756
77 HG22 ILE 9 HG22 ILE 9 -7.381 6.635 -0.408
78 HG23 ILE 9 HG23 ILE 9 -7.760 5.956 -1.990
79 HD11 ILE 9 HD11 ILE 9 -5.354 5.885 1.299
80 HD12 ILE 9 HD12 ILE 9 -4.842 4.210 1.513
81 HD13 ILE 9 HD13 ILE 9 -6.149 4.866 2.500
82 H ILE 10 HN ILE 10 -4.327 3.597 -3.122
83 HA ILE 10 HA ILE 10 -3.793 0.856 -2.244
84 HB ILE 10 HB ILE 10 -2.121 0.779 -3.939
85 HG12 ILE 10 HG12 ILE 10 -1.965 3.195 -5.229
86 HG13 ILE 10 HG11 ILE 10 -2.105 3.717 -3.553
87 HG21 ILE 10 HG21 ILE 10 -3.488 0.949 -5.772
88 HG22 ILE 10 HG22 ILE 10 -4.021 2.578 -5.357
89 HG23 ILE 10 HG23 ILE 10 -4.714 1.184 -4.527
90 HD11 ILE 10 HD11 ILE 10 0.011 1.980 -4.813
91 HD12 ILE 10 HD12 ILE 10 -0.276 1.930 -3.074
92 HD13 ILE 10 HD13 ILE 10 0.217 3.438 -3.843
93 H PHE 11 HN PHE 11 -1.882 0.275 -1.129
94 HA PHE 11 HA PHE 11 -0.676 2.497 0.403
95 HB2 PHE 11 HB2 PHE 11 -1.769 -0.052 1.173
96 HB3 PHE 11 HB1 PHE 11 -0.067 0.033 1.624
97 HD1 PHE 11 HD1 PHE 11 -2.863 2.542 1.477
98 HD2 PHE 11 HD2 PHE 11 0.197 0.675 3.849
99 HE1 PHE 11 HE1 PHE 11 -3.443 4.014 3.387
100 HE2 PHE 11 HE2 PHE 11 -0.383 2.150 5.755
101 HZ PHE 11 HZ PHE 11 -2.202 3.819 5.525
102 H ASN 12 HN ASN 12 1.499 2.731 0.512
103 HA ASN 12 HA ASN 12 3.162 0.806 -1.001
104 HB2 ASN 12 HB2 ASN 12 2.994 2.781 -2.352
105 HB3 ASN 12 HB1 ASN 12 3.298 3.824 -0.964
106 HD21 ASN 12 HD21 ASN 12 5.048 0.800 -1.741
107 HD22 ASN 12 HD22 ASN 12 6.556 1.553 -1.979
108 H GLU 13 HN GLU 13 5.337 0.564 -0.255
109 HA GLU 13 HA GLU 13 6.030 1.793 2.307
110 HB2 GLU 13 HB2 GLU 13 4.932 -0.835 2.134
111 HB3 GLU 13 HB1 GLU 13 6.634 -0.977 2.573
112 HG2 GLU 13 HG2 GLU 13 6.282 0.704 4.373
113 HG3 GLU 13 HG1 GLU 13 4.568 0.751 3.965
114 H ARG 14 HN ARG 14 8.249 1.632 2.829
115 HA ARG 14 HA ARG 14 10.032 1.797 0.673
116 HB2 ARG 14 HB2 ARG 14 10.315 1.602 3.632
117 HB3 ARG 14 HB1 ARG 14 11.738 1.232 2.662
118 HG2 ARG 14 HG2 ARG 14 11.855 3.377 1.759
119 HG3 ARG 14 HG1 ARG 14 10.144 3.698 2.035
120 HD2 ARG 14 HD2 ARG 14 12.046 4.741 3.604
121 HD3 ARG 14 HD1 ARG 14 10.463 4.292 4.230
122 HE ARG 14 HE ARG 14 11.456 2.486 5.341
123 HH11 ARG 14 HH11 ARG 14 13.285 1.387 6.116
124 HH12 ARG 14 HH12 ARG 14 14.836 1.690 5.407
125 HH21 ARG 14 HH21 ARG 14 13.636 4.012 3.128
126 HH22 ARG 14 HH22 ARG 14 15.035 3.175 3.715