NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
649453 |
6vy8   |
30729 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 -7.541 -1.223 1.101
2 HA2 GLY 1 HA2 GLY 1 -6.838 -3.136 2.543
3 HA3 GLY 1 HA3 GLY 1 -7.672 -4.156 1.386
4 H ARG 2 H ARG 2 -6.434 -2.083 -0.633
5 HA ARG 2 HA ARG 2 -4.148 -3.784 -1.161
6 HB2 ARG 2 HB2 ARG 2 -5.354 -1.493 -2.643
7 HB3 ARG 2 HB3 ARG 2 -3.933 -2.351 -3.200
8 HG2 ARG 2 HG2 ARG 2 -5.173 -4.371 -3.505
9 HG3 ARG 2 HG3 ARG 2 -6.586 -3.679 -2.700
10 HD2 ARG 2 HD2 ARG 2 -5.386 -2.650 -5.270
11 HD3 ARG 2 HD3 ARG 2 -6.812 -3.689 -5.161
12 HE ARG 2 HE ARG 2 -7.556 -1.751 -3.575
13 HH11 ARG 2 1HH1 ARG 2 -6.245 -1.557 -6.857
14 HH12 ARG 2 2HH1 ARG 2 -6.832 0.026 -7.112
15 HH21 ARG 2 1HH2 ARG 2 -8.314 0.328 -3.934
16 HH22 ARG 2 2HH2 ARG 2 -8.056 1.137 -5.436
17 H1 RVJ 3 H AZA 3 -2.391 -3.348 -0.102
18 HA RVJ 3 HA AZA 3 -1.268 -0.691 -0.346
19 HB3 RVJ 3 HB3 AZA 3 -1.225 -2.197 2.287
20 HB2 RVJ 3 HB2 AZA 3 -2.176 -0.782 1.967
21 H THR 4 H THR 4 0.261 -1.050 -1.684
22 HA THR 4 HA THR 4 1.801 -3.478 -1.605
23 HB THR 4 HB THR 4 2.237 -1.021 -3.285
24 HG1 THR 4 HG3 THR 4 0.794 -2.106 -4.797
25 HG21 THR 4 HG21 THR 4 2.859 -3.949 -3.771
26 HG22 THR 4 HG22 THR 4 4.036 -2.704 -3.362
27 HG23 THR 4 HG23 THR 4 3.184 -2.638 -4.905
28 H LYS 5 H LYS 5 3.768 -3.666 -0.680
29 HA LYS 5 HA LYS 5 4.599 -1.537 1.057
30 HB2 LYS 5 HB2 LYS 5 5.492 -4.389 0.774
31 HB3 LYS 5 HB3 LYS 5 6.054 -3.285 2.025
32 HG2 LYS 5 HG2 LYS 5 3.921 -3.130 3.004
33 HG3 LYS 5 HG3 LYS 5 3.145 -3.874 1.607
34 HD2 LYS 5 HD2 LYS 5 4.200 -5.926 2.054
35 HD3 LYS 5 HD3 LYS 5 5.093 -5.264 3.440
36 HE2 LYS 5 HE2 LYS 5 2.909 -4.752 4.523
37 HE3 LYS 5 HE3 LYS 5 2.083 -5.507 3.167
38 HZ1 LYS 5 HZ1 LYS 5 3.922 -6.894 5.050
39 HZ2 LYS 5 HZ2 LYS 5 3.098 -7.621 3.770
40 HZ3 LYS 5 HZ3 LYS 5 2.245 -6.980 5.059
41 H SER 6 H SER 6 5.283 -1.989 -1.987
42 HA SER 6 HA SER 6 8.160 -1.686 -1.994
43 HB2 SER 6 HB2 SER 6 6.811 -2.673 -3.933
44 HB3 SER 6 HB3 SER 6 6.177 -1.041 -4.180
45 HG SER 6 HG SER 6 8.908 -1.773 -4.286
46 H ILE 7 H ILE 7 9.184 0.334 -2.271
47 HA ILE 7 HA ILE 7 7.478 2.483 -1.299
48 HB ILE 7 HB ILE 7 9.501 3.729 -0.652
49 HG12 ILE 7 HG12 ILE 7 11.060 1.307 -1.594
50 HG13 ILE 7 HG13 ILE 7 11.027 2.859 -2.430
51 HG21 ILE 7 HG21 ILE 7 9.450 0.881 0.326
52 HG22 ILE 7 HG22 ILE 7 8.518 2.229 0.973
53 HG23 ILE 7 HG23 ILE 7 10.275 2.210 1.132
54 HD11 ILE 7 HD11 ILE 7 12.078 3.901 -0.474
55 HD12 ILE 7 HD12 ILE 7 13.059 2.593 -1.134
56 HD13 ILE 7 HD13 ILE 7 12.113 2.332 0.331
57 HA PRO 8 HA PRO 8 7.372 4.650 -1.068
58 HB2 PRO 8 HB2 PRO 8 5.534 6.381 -2.028
59 HB3 PRO 8 HB3 PRO 8 7.254 6.784 -1.980
60 HG2 PRO 8 HG2 PRO 8 5.600 5.822 -4.276
61 HG3 PRO 8 HG3 PRO 8 6.821 7.106 -4.238
62 HD2 PRO 8 HD2 PRO 8 7.319 4.588 -5.167
63 HD3 PRO 8 HD3 PRO 8 8.562 5.617 -4.433
64 HA PRO 9 HA PRO 9 4.129 1.646 -1.097
65 HB2 PRO 9 HB2 PRO 9 3.187 1.959 1.409
66 HB3 PRO 9 HB3 PRO 9 4.745 1.201 1.062
67 HG2 PRO 9 HG2 PRO 9 4.138 3.991 1.908
68 HG3 PRO 9 HG3 PRO 9 5.398 2.896 2.514
69 HD2 PRO 9 HD2 PRO 9 5.942 4.834 0.698
70 HD3 PRO 9 HD3 PRO 9 6.790 3.277 0.700
71 H ILE 10 H ILE 10 2.262 1.828 -2.122
72 HA ILE 10 HA ILE 10 0.590 4.089 -1.582
73 HB ILE 10 HB ILE 10 -0.552 3.277 -3.650
74 HG12 ILE 10 HG12 ILE 10 1.972 1.630 -4.005
75 HG13 ILE 10 HG13 ILE 10 0.358 0.989 -3.736
76 HG21 ILE 10 HG21 ILE 10 2.316 4.207 -3.873
77 HG22 ILE 10 HG22 ILE 10 0.897 5.232 -3.666
78 HG23 ILE 10 HG23 ILE 10 1.123 4.331 -5.167
79 HD11 ILE 10 HD11 ILE 10 1.252 2.563 -6.144
80 HD12 ILE 10 HD12 ILE 10 -0.357 1.884 -5.892
81 HD13 ILE 10 HD13 ILE 10 1.035 0.815 -6.070
82 H1A 2AG 11 HD PRG 11 0.934 2.714 2.366
83 HB2 2AG 11 HB2 PRG 11 -1.719 2.768 2.295
84 HB3 2AG 11 HB3 PRG 11 -2.591 1.247 2.262
85 HA 2AG 11 HA PRG 11 -2.159 1.073 -0.167
86 H 2AG 11 H PRG 11 -0.953 3.719 -0.155
87 H PHE 12 H PHE 12 -4.127 0.918 -0.446
88 HA PHE 12 HA PHE 12 -5.833 3.297 -0.487
89 HB2 PHE 12 HB2 PHE 12 -6.164 0.638 -1.920
90 HB3 PHE 12 HB3 PHE 12 -7.137 2.084 -2.160
91 HD1 PHE 12 HD1 PHE 12 -6.106 4.080 -3.224
92 HD2 PHE 12 HD2 PHE 12 -4.103 0.338 -3.060
93 HE1 PHE 12 HE3 PHE 12 -4.569 4.833 -4.990
94 HE2 PHE 12 HE2 PHE 12 -2.564 1.073 -4.827
95 HZ PHE 12 HZ PHE 12 -2.790 3.325 -5.793
96 HA PRO 13 HA PRO 13 -7.793 1.701 3.091
97 HB2 PRO 13 HB2 PRO 13 -10.348 2.597 2.777
98 HB3 PRO 13 HB3 PRO 13 -8.997 3.636 3.239
99 HG2 PRO 13 HG2 PRO 13 -10.233 3.220 0.546
100 HG3 PRO 13 HG3 PRO 13 -9.715 4.731 1.315
101 HD2 PRO 13 HD2 PRO 13 -8.216 3.509 -0.552
102 HD3 PRO 13 HD3 PRO 13 -7.481 4.360 0.817
103 H ASP 14 H ASP 14 -8.862 0.668 0.078
104 HA ASP 14 HA ASP 14 -10.890 -1.129 1.029
105 HB2 ASP 14 HB2 ASP 14 -11.014 -1.974 -1.256
106 HB3 ASP 14 HB3 ASP 14 -11.030 -0.215 -1.246
Start of MODEL 2
1 H1 GLY 1 H GLY 1 -7.378 -1.234 0.899
2 HA2 GLY 1 HA2 GLY 1 -7.148 -2.935 2.736
3 HA3 GLY 1 HA3 GLY 1 -7.858 -4.066 1.585
4 H ARG 2 H ARG 2 -6.387 -2.470 -0.474
5 HA ARG 2 HA ARG 2 -4.011 -4.090 -0.398
6 HB2 ARG 2 HB2 ARG 2 -5.307 -2.449 -2.551
7 HB3 ARG 2 HB3 ARG 2 -3.738 -3.222 -2.753
8 HG2 ARG 2 HG2 ARG 2 -4.708 -5.398 -2.393
9 HG3 ARG 2 HG3 ARG 2 -6.266 -4.668 -2.024
10 HD2 ARG 2 HD2 ARG 2 -4.886 -4.274 -4.658
11 HD3 ARG 2 HD3 ARG 2 -5.989 -5.617 -4.344
12 HE ARG 2 HE ARG 2 -7.497 -3.611 -3.590
13 HH11 ARG 2 1HH1 ARG 2 -5.404 -3.662 -6.427
14 HH12 ARG 2 2HH1 ARG 2 -6.522 -2.856 -7.435
15 HH21 ARG 2 1HH2 ARG 2 -9.001 -2.555 -4.912
16 HH22 ARG 2 2HH2 ARG 2 -8.660 -2.210 -6.554
17 H1 RVJ 3 H AZA 3 -2.054 -3.419 -0.134
18 HA RVJ 3 HA AZA 3 -1.294 -0.666 -0.336
19 HB3 RVJ 3 HB3 AZA 3 -0.981 -2.209 2.259
20 HB2 RVJ 3 HB2 AZA 3 -2.071 -0.884 2.032
21 H THR 4 H THR 4 0.571 -0.635 -1.367
22 HA THR 4 HA THR 4 1.923 -3.105 -1.820
23 HB THR 4 HB THR 4 3.390 -1.572 -3.244
24 HG1 THR 4 HG3 THR 4 2.536 0.470 -3.654
25 HG21 THR 4 HG21 THR 4 0.420 -1.707 -3.786
26 HG22 THR 4 HG22 THR 4 1.607 -2.942 -4.210
27 HG23 THR 4 HG23 THR 4 1.655 -1.362 -4.992
28 H LYS 5 H LYS 5 3.906 -3.709 -1.037
29 HA LYS 5 HA LYS 5 5.071 -2.060 1.027
30 HB2 LYS 5 HB2 LYS 5 6.467 -4.032 1.474
31 HB3 LYS 5 HB3 LYS 5 4.756 -4.420 1.483
32 HG2 LYS 5 HG2 LYS 5 5.123 -5.133 -0.969
33 HG3 LYS 5 HG3 LYS 5 6.832 -5.105 -0.542
34 HD2 LYS 5 HD2 LYS 5 6.411 -6.653 1.295
35 HD3 LYS 5 HD3 LYS 5 4.695 -6.618 0.857
36 HE2 LYS 5 HE2 LYS 5 5.800 -8.635 -0.005
37 HE3 LYS 5 HE3 LYS 5 5.165 -7.622 -1.290
38 HZ1 LYS 5 HZ1 LYS 5 7.352 -8.442 -1.819
39 HZ2 LYS 5 HZ2 LYS 5 8.008 -7.777 -0.432
40 HZ3 LYS 5 HZ3 LYS 5 7.417 -6.769 -1.656
41 H SER 6 H SER 6 5.264 -2.014 -2.113
42 HA SER 6 HA SER 6 8.123 -1.729 -2.393
43 HB2 SER 6 HB2 SER 6 5.899 -1.203 -4.383
44 HB3 SER 6 HB3 SER 6 7.620 -1.389 -4.742
45 HG SER 6 HG SER 6 6.823 -3.372 -5.117
46 H ILE 7 H ILE 7 9.054 0.189 -1.946
47 HA ILE 7 HA ILE 7 7.327 2.401 -1.273
48 HB ILE 7 HB ILE 7 9.354 3.525 -0.405
49 HG12 ILE 7 HG12 ILE 7 10.792 0.984 -1.229
50 HG13 ILE 7 HG13 ILE 7 10.994 2.558 -1.989
51 HG21 ILE 7 HG21 ILE 7 8.947 0.693 0.528
52 HG22 ILE 7 HG22 ILE 7 8.061 2.112 1.080
53 HG23 ILE 7 HG23 ILE 7 9.778 1.944 1.446
54 HD11 ILE 7 HD11 ILE 7 12.832 2.040 -0.479
55 HD12 ILE 7 HD12 ILE 7 11.693 1.863 0.856
56 HD13 ILE 7 HD13 ILE 7 11.916 3.437 0.089
57 HA PRO 8 HA PRO 8 7.445 4.684 -0.923
58 HB2 PRO 8 HB2 PRO 8 5.777 6.328 -2.716
59 HB3 PRO 8 HB3 PRO 8 6.853 6.852 -1.420
60 HG2 PRO 8 HG2 PRO 8 7.468 7.281 -3.991
61 HG3 PRO 8 HG3 PRO 8 8.710 6.881 -2.791
62 HD2 PRO 8 HD2 PRO 8 7.391 5.091 -4.803
63 HD3 PRO 8 HD3 PRO 8 9.113 5.223 -4.382
64 HA PRO 9 HA PRO 9 4.150 1.811 -1.348
65 HB2 PRO 9 HB2 PRO 9 3.063 1.979 1.090
66 HB3 PRO 9 HB3 PRO 9 4.673 1.299 0.830
67 HG2 PRO 9 HG2 PRO 9 3.898 4.023 1.766
68 HG3 PRO 9 HG3 PRO 9 5.158 2.945 2.393
69 HD2 PRO 9 HD2 PRO 9 5.682 5.010 0.683
70 HD3 PRO 9 HD3 PRO 9 6.662 3.535 0.754
71 H ILE 10 H ILE 10 2.009 1.676 -1.812
72 HA ILE 10 HA ILE 10 0.395 4.127 -1.596
73 HB ILE 10 HB ILE 10 0.220 2.011 -3.769
74 HG12 ILE 10 HG12 ILE 10 1.316 4.816 -3.997
75 HG13 ILE 10 HG13 ILE 10 2.313 3.367 -3.941
76 HG21 ILE 10 HG21 ILE 10 -1.883 3.147 -3.284
77 HG22 ILE 10 HG22 ILE 10 -1.267 3.629 -4.866
78 HG23 ILE 10 HG23 ILE 10 -1.094 4.712 -3.484
79 HD11 ILE 10 HD11 ILE 10 0.278 4.035 -6.055
80 HD12 ILE 10 HD12 ILE 10 1.298 2.596 -6.022
81 HD13 ILE 10 HD13 ILE 10 2.025 4.193 -6.213
82 H1A 2AG 11 HD PRG 11 0.687 2.883 2.361
83 HB2 2AG 11 HB2 PRG 11 -1.945 2.667 2.359
84 HB3 2AG 11 HB3 PRG 11 -2.668 1.074 2.256
85 HA 2AG 11 HA PRG 11 -2.357 1.042 -0.156
86 H 2AG 11 H PRG 11 -1.189 3.716 -0.111
87 H PHE 12 H PHE 12 -4.399 1.002 -0.399
88 HA PHE 12 HA PHE 12 -5.912 3.510 -0.105
89 HB2 PHE 12 HB2 PHE 12 -6.435 1.097 -1.869
90 HB3 PHE 12 HB3 PHE 12 -7.543 2.445 -1.688
91 HD1 PHE 12 HD1 PHE 12 -4.722 1.143 -3.448
92 HD2 PHE 12 HD2 PHE 12 -6.743 4.744 -2.416
93 HE1 PHE 12 HE3 PHE 12 -3.604 2.302 -5.300
94 HE2 PHE 12 HE2 PHE 12 -5.622 5.907 -4.272
95 HZ PHE 12 HZ PHE 12 -4.054 4.683 -5.716
96 HA PRO 13 HA PRO 13 -8.335 1.605 3.142
97 HB2 PRO 13 HB2 PRO 13 -10.887 2.400 2.385
98 HB3 PRO 13 HB3 PRO 13 -9.750 3.376 3.322
99 HG2 PRO 13 HG2 PRO 13 -10.364 3.466 0.402
100 HG3 PRO 13 HG3 PRO 13 -10.045 4.800 1.522
101 HD2 PRO 13 HD2 PRO 13 -8.179 3.946 -0.203
102 HD3 PRO 13 HD3 PRO 13 -7.749 4.500 1.427
103 H ASP 14 H ASP 14 -8.805 0.974 -0.090
104 HA ASP 14 HA ASP 14 -10.674 -1.024 -0.408
105 HB2 ASP 14 HB2 ASP 14 -9.340 -0.023 -2.213
106 HB3 ASP 14 HB3 ASP 14 -7.893 -0.786 -1.583
Start of MODEL 3
1 H1 GLY 1 H GLY 1 -7.523 -0.984 0.999
2 HA2 GLY 1 HA2 GLY 1 -6.573 -2.494 2.592
3 HA3 GLY 1 HA3 GLY 1 -7.668 -3.740 2.003
4 H ARG 2 H ARG 2 -5.644 -1.548 0.142
5 HA ARG 2 HA ARG 2 -4.097 -3.854 -0.796
6 HB2 ARG 2 HB2 ARG 2 -4.982 -1.563 -2.558
7 HB3 ARG 2 HB3 ARG 2 -4.128 -3.007 -3.065
8 HG2 ARG 2 HG2 ARG 2 -6.107 -4.356 -2.535
9 HG3 ARG 2 HG3 ARG 2 -6.962 -2.892 -2.050
10 HD2 ARG 2 HD2 ARG 2 -6.506 -2.014 -4.380
11 HD3 ARG 2 HD3 ARG 2 -5.975 -3.642 -4.793
12 HE ARG 2 HE ARG 2 -8.558 -3.479 -3.548
13 HH11 ARG 2 1HH1 ARG 2 -6.831 -3.604 -6.640
14 HH12 ARG 2 2HH1 ARG 2 -8.223 -3.953 -7.557
15 HH21 ARG 2 1HH2 ARG 2 -10.464 -3.940 -4.828
16 HH22 ARG 2 2HH2 ARG 2 -10.314 -4.127 -6.525
17 H1 RVJ 3 H AZA 3 -2.148 -3.409 0.067
18 HA RVJ 3 HA AZA 3 -1.133 -0.691 -0.254
19 HB3 RVJ 3 HB3 AZA 3 -0.583 -2.456 2.141
20 HB2 RVJ 3 HB2 AZA 3 -1.740 -1.174 2.150
21 H THR 4 H THR 4 0.764 -0.427 -1.065
22 HA THR 4 HA THR 4 2.009 -2.736 -2.261
23 HB THR 4 HB THR 4 2.960 0.131 -2.344
24 HG1 THR 4 HG3 THR 4 0.600 -0.735 -3.078
25 HG21 THR 4 HG21 THR 4 4.471 -1.589 -3.299
26 HG22 THR 4 HG22 THR 4 3.831 -0.527 -4.545
27 HG23 THR 4 HG23 THR 4 3.158 -2.142 -4.337
28 H LYS 5 H LYS 5 3.901 -3.654 -1.614
29 HA LYS 5 HA LYS 5 4.937 -2.943 1.001
30 HB2 LYS 5 HB2 LYS 5 5.338 -5.372 -0.769
31 HB3 LYS 5 HB3 LYS 5 6.261 -5.114 0.694
32 HG2 LYS 5 HG2 LYS 5 4.469 -6.672 1.124
33 HG3 LYS 5 HG3 LYS 5 4.167 -5.178 1.998
34 HD2 LYS 5 HD2 LYS 5 2.578 -4.501 0.233
35 HD3 LYS 5 HD3 LYS 5 2.868 -6.031 -0.590
36 HE2 LYS 5 HE2 LYS 5 0.803 -6.099 0.728
37 HE3 LYS 5 HE3 LYS 5 1.997 -7.247 1.329
38 HZ1 LYS 5 HZ1 LYS 5 1.504 -4.566 2.516
39 HZ2 LYS 5 HZ2 LYS 5 2.504 -5.790 3.145
40 HZ3 LYS 5 HZ3 LYS 5 0.840 -6.006 3.069
41 H SER 6 H SER 6 5.499 -1.811 -1.843
42 HA SER 6 HA SER 6 8.367 -1.572 -1.435
43 HB2 SER 6 HB2 SER 6 7.737 -2.923 -3.492
44 HB3 SER 6 HB3 SER 6 6.908 -1.493 -4.101
45 HG SER 6 HG SER 6 9.624 -1.406 -3.342
46 H ILE 7 H ILE 7 9.130 0.587 -1.954
47 HA ILE 7 HA ILE 7 7.041 2.525 -1.363
48 HB ILE 7 HB ILE 7 8.836 4.041 -0.685
49 HG12 ILE 7 HG12 ILE 7 10.731 1.774 -1.381
50 HG13 ILE 7 HG13 ILE 7 10.537 3.235 -2.340
51 HG21 ILE 7 HG21 ILE 7 9.651 2.715 1.247
52 HG22 ILE 7 HG22 ILE 7 9.061 1.254 0.442
53 HG23 ILE 7 HG23 ILE 7 7.924 2.485 0.953
54 HD11 ILE 7 HD11 ILE 7 11.539 3.085 0.489
55 HD12 ILE 7 HD12 ILE 7 11.336 4.562 -0.450
56 HD13 ILE 7 HD13 ILE 7 12.519 3.352 -0.955
57 HA PRO 8 HA PRO 8 6.961 4.958 -1.366
58 HB2 PRO 8 HB2 PRO 8 4.959 5.993 -3.275
59 HB3 PRO 8 HB3 PRO 8 6.022 6.891 -2.188
60 HG2 PRO 8 HG2 PRO 8 6.420 6.902 -4.834
61 HG3 PRO 8 HG3 PRO 8 7.777 6.896 -3.694
62 HD2 PRO 8 HD2 PRO 8 6.606 4.610 -5.243
63 HD3 PRO 8 HD3 PRO 8 8.313 5.038 -4.991
64 HA PRO 9 HA PRO 9 3.932 1.777 -1.154
65 HB2 PRO 9 HB2 PRO 9 3.314 1.900 1.426
66 HB3 PRO 9 HB3 PRO 9 4.902 1.363 0.860
67 HG2 PRO 9 HG2 PRO 9 4.063 3.976 1.999
68 HG3 PRO 9 HG3 PRO 9 5.565 3.080 2.294
69 HD2 PRO 9 HD2 PRO 9 5.308 5.203 0.497
70 HD3 PRO 9 HD3 PRO 9 6.592 3.983 0.448
71 H ILE 10 H ILE 10 2.154 2.153 -2.167
72 HA ILE 10 HA ILE 10 0.335 4.214 -1.198
73 HB ILE 10 HB ILE 10 0.095 2.515 -3.708
74 HG12 ILE 10 HG12 ILE 10 0.992 5.388 -3.381
75 HG13 ILE 10 HG13 ILE 10 2.039 4.038 -3.800
76 HG21 ILE 10 HG21 ILE 10 -1.431 4.960 -2.796
77 HG22 ILE 10 HG22 ILE 10 -2.060 3.315 -2.871
78 HG23 ILE 10 HG23 ILE 10 -1.626 4.161 -4.356
79 HD11 ILE 10 HD11 ILE 10 1.495 5.361 -5.754
80 HD12 ILE 10 HD12 ILE 10 -0.227 5.125 -5.455
81 HD13 ILE 10 HD13 ILE 10 0.789 3.750 -5.889
82 H1A 2AG 11 HD PRG 11 0.879 2.702 2.531
83 HB2 2AG 11 HB2 PRG 11 -1.783 2.399 2.598
84 HB3 2AG 11 HB3 PRG 11 -2.448 0.782 2.439
85 HA 2AG 11 HA PRG 11 -2.152 0.890 -0.001
86 H 2AG 11 H PRG 11 -1.144 3.608 0.226
87 H PHE 12 H PHE 12 -3.996 0.846 -0.649
88 HA PHE 12 HA PHE 12 -5.741 3.142 -0.657
89 HB2 PHE 12 HB2 PHE 12 -6.074 0.344 -1.753
90 HB3 PHE 12 HB3 PHE 12 -7.219 1.651 -1.992
91 HD1 PHE 12 HD1 PHE 12 -3.897 0.351 -2.877
92 HD2 PHE 12 HD2 PHE 12 -6.767 3.423 -3.548
93 HE1 PHE 12 HE3 PHE 12 -2.681 1.041 -4.890
94 HE2 PHE 12 HE2 PHE 12 -5.552 4.119 -5.562
95 HZ PHE 12 HZ PHE 12 -3.507 2.937 -6.240
96 HA PRO 13 HA PRO 13 -8.227 2.010 2.935
97 HB2 PRO 13 HB2 PRO 13 -10.541 2.908 1.298
98 HB3 PRO 13 HB3 PRO 13 -10.037 3.458 2.894
99 HG2 PRO 13 HG2 PRO 13 -9.629 5.003 0.796
100 HG3 PRO 13 HG3 PRO 13 -8.367 4.845 2.032
101 HD2 PRO 13 HD2 PRO 13 -8.544 3.555 -0.668
102 HD3 PRO 13 HD3 PRO 13 -7.149 4.298 0.145
103 H ASP 14 H ASP 14 -8.799 0.842 -0.163
104 HA ASP 14 HA ASP 14 -10.874 -1.058 0.285
105 HB2 ASP 14 HB2 ASP 14 -10.206 -0.291 -1.963
106 HB3 ASP 14 HB3 ASP 14 -8.649 -1.085 -1.767
Start of MODEL 4
1 H1 GLY 1 H GLY 1 -7.743 -0.722 1.042
2 HA2 GLY 1 HA2 GLY 1 -6.461 -2.039 2.617
3 HA3 GLY 1 HA3 GLY 1 -7.058 -3.472 1.749
4 H ARG 2 H ARG 2 -5.107 -4.124 0.902
5 HA ARG 2 HA ARG 2 -3.459 -4.247 -0.628
6 HB2 ARG 2 HB2 ARG 2 -5.049 -2.186 -2.105
7 HB3 ARG 2 HB3 ARG 2 -3.745 -3.171 -2.759
8 HG2 ARG 2 HG2 ARG 2 -5.071 -5.177 -2.524
9 HG3 ARG 2 HG3 ARG 2 -6.343 -4.271 -1.698
10 HD2 ARG 2 HD2 ARG 2 -5.446 -3.808 -4.538
11 HD3 ARG 2 HD3 ARG 2 -6.874 -4.726 -4.067
12 HE ARG 2 HE ARG 2 -7.590 -2.562 -2.970
13 HH11 ARG 2 1HH1 ARG 2 -5.506 -2.563 -5.850
14 HH12 ARG 2 2HH1 ARG 2 -6.163 -1.142 -6.487
15 HH21 ARG 2 1HH2 ARG 2 -8.511 -0.526 -3.912
16 HH22 ARG 2 2HH2 ARG 2 -7.856 0.013 -5.382
17 H1 RVJ 3 H AZA 3 -2.077 -3.386 0.754
18 HA RVJ 3 HA AZA 3 -1.137 -0.716 0.054
19 HB3 RVJ 3 HB3 AZA 3 -0.489 -2.233 2.590
20 HB2 RVJ 3 HB2 AZA 3 -1.787 -1.102 2.496
21 H THR 4 H THR 4 0.715 -0.583 -0.964
22 HA THR 4 HA THR 4 1.816 -3.068 -1.809
23 HB THR 4 HB THR 4 3.167 -1.599 -3.340
24 HG1 THR 4 HG3 THR 4 2.881 0.530 -3.319
25 HG21 THR 4 HG21 THR 4 1.212 -0.857 -4.671
26 HG22 THR 4 HG22 THR 4 0.176 -1.149 -3.276
27 HG23 THR 4 HG23 THR 4 1.010 -2.495 -4.051
28 H LYS 5 H LYS 5 4.020 -3.633 -1.728
29 HA LYS 5 HA LYS 5 5.365 -2.599 0.636
30 HB2 LYS 5 HB2 LYS 5 5.980 -5.076 -0.983
31 HB3 LYS 5 HB3 LYS 5 6.753 -4.620 0.523
32 HG2 LYS 5 HG2 LYS 5 3.878 -5.459 0.134
33 HG3 LYS 5 HG3 LYS 5 5.145 -6.361 0.961
34 HD2 LYS 5 HD2 LYS 5 5.296 -4.444 2.586
35 HD3 LYS 5 HD3 LYS 5 3.877 -3.772 1.774
36 HE2 LYS 5 HE2 LYS 5 3.170 -4.962 3.773
37 HE3 LYS 5 HE3 LYS 5 2.612 -5.817 2.342
38 HZ1 LYS 5 HZ1 LYS 5 4.439 -7.384 2.601
39 HZ2 LYS 5 HZ2 LYS 5 3.532 -7.327 4.013
40 HZ3 LYS 5 HZ3 LYS 5 5.012 -6.548 3.940
41 H SER 6 H SER 6 5.305 -2.102 -2.503
42 HA SER 6 HA SER 6 8.124 -1.629 -2.923
43 HB2 SER 6 HB2 SER 6 5.717 -1.009 -4.649
44 HB3 SER 6 HB3 SER 6 7.401 -0.901 -5.169
45 HG SER 6 HG SER 6 7.473 -3.180 -4.396
46 H ILE 7 H ILE 7 9.032 0.191 -2.174
47 HA ILE 7 HA ILE 7 7.334 2.301 -1.201
48 HB ILE 7 HB ILE 7 9.318 3.368 -0.292
49 HG12 ILE 7 HG12 ILE 7 10.944 1.147 -1.564
50 HG13 ILE 7 HG13 ILE 7 10.862 2.797 -2.171
51 HG21 ILE 7 HG21 ILE 7 10.045 1.600 1.252
52 HG22 ILE 7 HG22 ILE 7 9.286 0.403 0.202
53 HG23 ILE 7 HG23 ILE 7 8.295 1.614 1.015
54 HD11 ILE 7 HD11 ILE 7 11.872 3.617 -0.116
55 HD12 ILE 7 HD12 ILE 7 12.895 2.393 -0.872
56 HD13 ILE 7 HD13 ILE 7 11.908 1.978 0.530
57 HA PRO 8 HA PRO 8 7.398 4.429 -0.618
58 HB2 PRO 8 HB2 PRO 8 5.672 6.383 -1.416
59 HB3 PRO 8 HB3 PRO 8 7.383 6.694 -1.105
60 HG2 PRO 8 HG2 PRO 8 5.973 6.292 -3.706
61 HG3 PRO 8 HG3 PRO 8 7.265 7.428 -3.291
62 HD2 PRO 8 HD2 PRO 8 7.708 5.104 -4.637
63 HD3 PRO 8 HD3 PRO 8 8.920 5.855 -3.590
64 HA PRO 9 HA PRO 9 3.960 1.791 -1.395
65 HB2 PRO 9 HB2 PRO 9 2.988 1.526 1.059
66 HB3 PRO 9 HB3 PRO 9 4.600 0.915 0.655
67 HG2 PRO 9 HG2 PRO 9 3.811 3.450 2.012
68 HG3 PRO 9 HG3 PRO 9 5.076 2.295 2.485
69 HD2 PRO 9 HD2 PRO 9 5.624 4.585 1.083
70 HD3 PRO 9 HD3 PRO 9 6.583 3.100 0.924
71 H ILE 10 H ILE 10 1.873 1.925 -1.907
72 HA ILE 10 HA ILE 10 0.336 4.219 -0.952
73 HB ILE 10 HB ILE 10 0.249 2.884 -3.695
74 HG12 ILE 10 HG12 ILE 10 0.291 5.283 -4.528
75 HG13 ILE 10 HG13 ILE 10 0.600 5.778 -2.875
76 HG21 ILE 10 HG21 ILE 10 -2.040 3.034 -2.954
77 HG22 ILE 10 HG22 ILE 10 -1.748 4.208 -4.239
78 HG23 ILE 10 HG23 ILE 10 -1.826 4.739 -2.559
79 HD11 ILE 10 HD11 ILE 10 2.630 5.750 -4.173
80 HD12 ILE 10 HD12 ILE 10 2.372 4.057 -4.590
81 HD13 ILE 10 HD13 ILE 10 2.700 4.513 -2.919
82 H1A 2AG 11 HD PRG 11 0.388 3.083 2.449
83 HB2 2AG 11 HB2 PRG 11 -2.314 2.439 2.500
84 HB3 2AG 11 HB3 PRG 11 -2.747 0.754 2.269
85 HA 2AG 11 HA PRG 11 -2.315 0.901 -0.120
86 H 2AG 11 H PRG 11 -1.409 3.655 0.180
87 H PHE 12 H PHE 12 -4.415 0.641 -0.398
88 HA PHE 12 HA PHE 12 -5.943 3.071 -0.896
89 HB2 PHE 12 HB2 PHE 12 -6.456 0.182 -1.653
90 HB3 PHE 12 HB3 PHE 12 -7.463 1.536 -2.133
91 HD1 PHE 12 HD1 PHE 12 -4.251 -0.163 -2.635
92 HD2 PHE 12 HD2 PHE 12 -6.756 3.048 -3.877
93 HE1 PHE 12 HE3 PHE 12 -2.883 0.119 -4.647
94 HE2 PHE 12 HE2 PHE 12 -5.383 3.339 -5.891
95 HZ PHE 12 HZ PHE 12 -3.450 1.876 -6.286
96 HA PRO 13 HA PRO 13 -8.795 2.380 2.500
97 HB2 PRO 13 HB2 PRO 13 -11.155 2.846 0.827
98 HB3 PRO 13 HB3 PRO 13 -10.487 3.858 2.108
99 HG2 PRO 13 HG2 PRO 13 -10.380 4.589 -0.482
100 HG3 PRO 13 HG3 PRO 13 -9.103 5.003 0.675
101 HD2 PRO 13 HD2 PRO 13 -9.166 2.815 -1.368
102 HD3 PRO 13 HD3 PRO 13 -7.847 3.935 -0.953
103 H ASP 14 H ASP 14 -8.920 0.504 -0.256
104 HA ASP 14 HA ASP 14 -11.003 -1.372 0.605
105 HB2 ASP 14 HB2 ASP 14 -8.923 -1.867 -1.530
106 HB3 ASP 14 HB3 ASP 14 -10.493 -2.625 -1.363
Start of MODEL 5
1 H1 GLY 1 H GLY 1 -7.356 -1.004 0.818
2 HA2 GLY 1 HA2 GLY 1 -6.936 -2.591 2.753
3 HA3 GLY 1 HA3 GLY 1 -7.557 -3.815 1.655
4 H ARG 2 H ARG 2 -6.407 -2.600 -0.656
5 HA ARG 2 HA ARG 2 -3.979 -3.992 -0.749
6 HB2 ARG 2 HB2 ARG 2 -4.946 -1.825 -2.574
7 HB3 ARG 2 HB3 ARG 2 -3.600 -2.893 -2.915
8 HG2 ARG 2 HG2 ARG 2 -5.150 -4.816 -2.861
9 HG3 ARG 2 HG3 ARG 2 -6.483 -3.684 -2.611
10 HD2 ARG 2 HD2 ARG 2 -6.324 -4.294 -4.959
11 HD3 ARG 2 HD3 ARG 2 -5.956 -2.585 -4.715
12 HE ARG 2 HE ARG 2 -3.895 -4.653 -5.084
13 HH11 ARG 2 1HH1 ARG 2 -5.225 -1.449 -5.909
14 HH12 ARG 2 2HH1 ARG 2 -3.845 -1.002 -6.817
15 HH21 ARG 2 1HH2 ARG 2 -2.086 -4.015 -6.408
16 HH22 ARG 2 2HH2 ARG 2 -2.082 -2.460 -7.116
17 H1 RVJ 3 H AZA 3 -2.367 -3.429 0.484
18 HA RVJ 3 HA AZA 3 -1.217 -0.795 0.021
19 HB3 RVJ 3 HB3 AZA 3 -1.099 -2.218 2.695
20 HB2 RVJ 3 HB2 AZA 3 -2.165 -0.896 2.362
21 H THR 4 H THR 4 0.383 -1.065 -1.199
22 HA THR 4 HA THR 4 1.633 -3.655 -1.412
23 HB THR 4 HB THR 4 2.191 -1.142 -3.002
24 HG1 THR 4 HG3 THR 4 -0.065 -2.454 -2.774
25 HG21 THR 4 HG21 THR 4 3.804 -2.997 -3.300
26 HG22 THR 4 HG22 THR 4 2.838 -2.749 -4.753
27 HG23 THR 4 HG23 THR 4 2.469 -4.089 -3.668
28 H LYS 5 H LYS 5 3.798 -4.112 -1.012
29 HA LYS 5 HA LYS 5 5.258 -2.138 0.472
30 HB2 LYS 5 HB2 LYS 5 5.559 -5.143 0.269
31 HB3 LYS 5 HB3 LYS 5 6.823 -4.132 0.941
32 HG2 LYS 5 HG2 LYS 5 5.518 -5.083 2.728
33 HG3 LYS 5 HG3 LYS 5 5.252 -3.347 2.679
34 HD2 LYS 5 HD2 LYS 5 3.134 -3.796 1.402
35 HD3 LYS 5 HD3 LYS 5 3.397 -5.514 1.677
36 HE2 LYS 5 HE2 LYS 5 3.313 -5.135 4.096
37 HE3 LYS 5 HE3 LYS 5 3.062 -3.416 3.818
38 HZ1 LYS 5 HZ1 LYS 5 1.222 -5.623 3.078
39 HZ2 LYS 5 HZ2 LYS 5 1.005 -4.053 2.575
40 HZ3 LYS 5 HZ3 LYS 5 0.951 -4.416 4.219
41 H SER 6 H SER 6 5.614 -0.944 -1.214
42 HA SER 6 HA SER 6 8.066 -1.457 -2.584
43 HB2 SER 6 HB2 SER 6 5.530 -0.498 -3.991
44 HB3 SER 6 HB3 SER 6 7.126 -0.649 -4.724
45 HG SER 6 HG SER 6 6.401 -2.927 -3.555
46 H ILE 7 H ILE 7 8.837 0.810 -3.167
47 HA ILE 7 HA ILE 7 7.455 2.662 -1.392
48 HB ILE 7 HB ILE 7 9.676 3.683 -0.868
49 HG12 ILE 7 HG12 ILE 7 10.758 1.208 -2.260
50 HG13 ILE 7 HG13 ILE 7 10.895 2.848 -2.877
51 HG21 ILE 7 HG21 ILE 7 8.620 2.134 0.674
52 HG22 ILE 7 HG22 ILE 7 10.361 1.822 0.679
53 HG23 ILE 7 HG23 ILE 7 9.262 0.764 -0.209
54 HD11 ILE 7 HD11 ILE 7 12.972 2.106 -1.871
55 HD12 ILE 7 HD12 ILE 7 12.140 1.782 -0.351
56 HD13 ILE 7 HD13 ILE 7 12.280 3.437 -0.943
57 HA PRO 8 HA PRO 8 7.197 4.802 -0.903
58 HB2 PRO 8 HB2 PRO 8 5.087 6.353 -1.611
59 HB3 PRO 8 HB3 PRO 8 6.741 6.978 -1.558
60 HG2 PRO 8 HG2 PRO 8 5.156 6.020 -3.916
61 HG3 PRO 8 HG3 PRO 8 6.159 7.475 -3.769
62 HD2 PRO 8 HD2 PRO 8 7.049 5.241 -4.989
63 HD3 PRO 8 HD3 PRO 8 8.128 6.296 -4.058
64 HA PRO 9 HA PRO 9 4.132 1.639 -0.877
65 HB2 PRO 9 HB2 PRO 9 3.212 1.829 1.633
66 HB3 PRO 9 HB3 PRO 9 4.846 1.259 1.265
67 HG2 PRO 9 HG2 PRO 9 3.927 3.941 2.168
68 HG3 PRO 9 HG3 PRO 9 5.334 3.011 2.720
69 HD2 PRO 9 HD2 PRO 9 5.519 5.045 0.891
70 HD3 PRO 9 HD3 PRO 9 6.632 3.662 0.933
71 H ILE 10 H ILE 10 2.383 1.827 -1.996
72 HA ILE 10 HA ILE 10 0.507 3.959 -1.411
73 HB ILE 10 HB ILE 10 0.607 2.026 -3.749
74 HG12 ILE 10 HG12 ILE 10 1.258 4.980 -3.583
75 HG13 ILE 10 HG13 ILE 10 2.443 3.688 -3.696
76 HG21 ILE 10 HG21 ILE 10 -1.126 3.458 -4.746
77 HG22 ILE 10 HG22 ILE 10 -1.177 4.421 -3.269
78 HG23 ILE 10 HG23 ILE 10 -1.691 2.734 -3.239
79 HD11 ILE 10 HD11 ILE 10 2.104 4.790 -5.825
80 HD12 ILE 10 HD12 ILE 10 0.387 4.388 -5.772
81 HD13 ILE 10 HD13 ILE 10 1.590 3.104 -5.902
82 H1A 2AG 11 HD PRG 11 0.673 2.854 2.534
83 HB2 2AG 11 HB2 PRG 11 -1.984 2.693 2.367
84 HB3 2AG 11 HB3 PRG 11 -2.734 1.109 2.330
85 HA 2AG 11 HA PRG 11 -2.200 0.888 -0.052
86 H 2AG 11 H PRG 11 -1.070 3.570 -0.069
87 H PHE 12 H PHE 12 -4.117 0.804 -0.593
88 HA PHE 12 HA PHE 12 -5.746 3.222 -0.757
89 HB2 PHE 12 HB2 PHE 12 -6.205 0.422 -1.828
90 HB3 PHE 12 HB3 PHE 12 -7.285 1.780 -2.080
91 HD1 PHE 12 HD1 PHE 12 -4.192 0.158 -3.094
92 HD2 PHE 12 HD2 PHE 12 -6.625 3.620 -3.568
93 HE1 PHE 12 HE3 PHE 12 -2.981 0.728 -5.153
94 HE2 PHE 12 HE2 PHE 12 -5.412 4.193 -5.628
95 HZ PHE 12 HZ PHE 12 -3.590 2.744 -6.425
96 HA PRO 13 HA PRO 13 -8.176 2.007 2.816
97 HB2 PRO 13 HB2 PRO 13 -10.634 2.964 2.044
98 HB3 PRO 13 HB3 PRO 13 -9.344 3.991 2.678
99 HG2 PRO 13 HG2 PRO 13 -10.131 3.480 -0.163
100 HG3 PRO 13 HG3 PRO 13 -9.690 5.010 0.616
101 HD2 PRO 13 HD2 PRO 13 -7.955 3.666 -0.923
102 HD3 PRO 13 HD3 PRO 13 -7.422 4.546 0.520
103 H ASP 14 H ASP 14 -8.640 0.878 -0.272
104 HA ASP 14 HA ASP 14 -10.752 -0.998 0.031
105 HB2 ASP 14 HB2 ASP 14 -10.049 -0.486 -2.190
106 HB3 ASP 14 HB3 ASP 14 -8.371 -0.867 -1.821
Start of MODEL 6
1 H1 GLY 1 H GLY 1 -7.734 -1.271 0.605
2 HA2 GLY 1 HA2 GLY 1 -7.495 -3.379 1.856
3 HA3 GLY 1 HA3 GLY 1 -8.556 -4.101 0.644
4 H ARG 2 H ARG 2 -5.647 -2.076 0.670
5 HA ARG 2 HA ARG 2 -4.114 -3.962 -0.761
6 HB2 ARG 2 HB2 ARG 2 -3.888 -2.709 -2.874
7 HB3 ARG 2 HB3 ARG 2 -5.523 -3.295 -2.634
8 HG2 ARG 2 HG2 ARG 2 -6.232 -1.056 -1.936
9 HG3 ARG 2 HG3 ARG 2 -4.587 -0.463 -2.167
10 HD2 ARG 2 HD2 ARG 2 -5.944 0.091 -4.096
11 HD3 ARG 2 HD3 ARG 2 -4.720 -1.098 -4.540
12 HE ARG 2 HE ARG 2 -7.477 -1.902 -3.893
13 HH11 ARG 2 1HH1 ARG 2 -4.757 -1.859 -6.208
14 HH12 ARG 2 2HH1 ARG 2 -5.526 -2.926 -7.283
15 HH21 ARG 2 1HH2 ARG 2 -8.481 -3.319 -5.383
16 HH22 ARG 2 2HH2 ARG 2 -7.673 -3.797 -6.808
17 H1 RVJ 3 H AZA 3 -2.039 -3.525 -0.347
18 HA RVJ 3 HA AZA 3 -1.103 -0.852 -0.301
19 HB3 RVJ 3 HB3 AZA 3 -0.788 -2.492 2.221
20 HB2 RVJ 3 HB2 AZA 3 -1.813 -1.101 2.066
21 H THR 4 H THR 4 0.536 -0.860 -1.492
22 HA THR 4 HA THR 4 2.151 -3.242 -1.733
23 HB THR 4 HB THR 4 2.550 -0.577 -3.061
24 HG1 THR 4 HG3 THR 4 0.632 -2.515 -3.382
25 HG21 THR 4 HG21 THR 4 3.641 -1.922 -4.832
26 HG22 THR 4 HG22 THR 4 3.323 -3.385 -3.901
27 HG23 THR 4 HG23 THR 4 4.423 -2.159 -3.268
28 H LYS 5 H LYS 5 4.003 -3.450 -0.656
29 HA LYS 5 HA LYS 5 4.711 -1.406 1.285
30 HB2 LYS 5 HB2 LYS 5 5.711 -4.256 1.020
31 HB3 LYS 5 HB3 LYS 5 6.236 -3.151 2.271
32 HG2 LYS 5 HG2 LYS 5 4.626 -4.668 3.212
33 HG3 LYS 5 HG3 LYS 5 3.878 -3.079 3.106
34 HD2 LYS 5 HD2 LYS 5 2.672 -3.735 1.114
35 HD3 LYS 5 HD3 LYS 5 3.511 -5.280 1.083
36 HE2 LYS 5 HE2 LYS 5 1.712 -4.378 3.323
37 HE3 LYS 5 HE3 LYS 5 1.174 -5.356 1.961
38 HZ1 LYS 5 HZ1 LYS 5 3.218 -6.133 3.980
39 HZ2 LYS 5 HZ2 LYS 5 2.815 -7.021 2.607
40 HZ3 LYS 5 HZ3 LYS 5 1.654 -6.764 3.786
41 H SER 6 H SER 6 5.594 -2.090 -1.689
42 HA SER 6 HA SER 6 8.416 -1.499 -1.441
43 HB2 SER 6 HB2 SER 6 7.438 -3.012 -3.264
44 HB3 SER 6 HB3 SER 6 6.752 -1.532 -3.958
45 HG SER 6 HG SER 6 9.492 -1.890 -3.418
46 H ILE 7 H ILE 7 9.272 0.463 -1.909
47 HA ILE 7 HA ILE 7 7.387 2.631 -1.530
48 HB ILE 7 HB ILE 7 9.336 4.088 -1.093
49 HG12 ILE 7 HG12 ILE 7 10.975 1.573 -1.521
50 HG13 ILE 7 HG13 ILE 7 10.962 2.968 -2.594
51 HG21 ILE 7 HG21 ILE 7 10.043 2.999 1.001
52 HG22 ILE 7 HG22 ILE 7 9.344 1.485 0.429
53 HG23 ILE 7 HG23 ILE 7 8.302 2.860 0.753
54 HD11 ILE 7 HD11 ILE 7 11.901 4.331 -0.805
55 HD12 ILE 7 HD12 ILE 7 12.929 2.946 -1.177
56 HD13 ILE 7 HD13 ILE 7 11.907 2.927 0.260
57 HA PRO 8 HA PRO 8 7.241 4.920 -1.734
58 HB2 PRO 8 HB2 PRO 8 5.220 5.929 -3.577
59 HB3 PRO 8 HB3 PRO 8 6.468 6.828 -2.712
60 HG2 PRO 8 HG2 PRO 8 6.508 6.492 -5.402
61 HG3 PRO 8 HG3 PRO 8 7.980 6.638 -4.426
62 HD2 PRO 8 HD2 PRO 8 6.663 4.184 -5.524
63 HD3 PRO 8 HD3 PRO 8 8.387 4.617 -5.494
64 HA PRO 9 HA PRO 9 4.217 1.751 -1.185
65 HB2 PRO 9 HB2 PRO 9 3.402 2.285 1.307
66 HB3 PRO 9 HB3 PRO 9 5.030 1.683 0.971
67 HG2 PRO 9 HG2 PRO 9 4.093 4.444 1.494
68 HG3 PRO 9 HG3 PRO 9 5.519 3.615 2.150
69 HD2 PRO 9 HD2 PRO 9 5.661 5.361 0.032
70 HD3 PRO 9 HD3 PRO 9 6.789 4.013 0.245
71 H ILE 10 H ILE 10 2.257 1.564 -1.826
72 HA ILE 10 HA ILE 10 0.445 3.864 -1.684
73 HB ILE 10 HB ILE 10 0.656 1.709 -3.812
74 HG12 ILE 10 HG12 ILE 10 1.206 4.681 -3.971
75 HG13 ILE 10 HG13 ILE 10 2.437 3.433 -3.858
76 HG21 ILE 10 HG21 ILE 10 -1.672 2.367 -3.464
77 HG22 ILE 10 HG22 ILE 10 -1.077 2.961 -5.015
78 HG23 ILE 10 HG23 ILE 10 -1.230 4.065 -3.647
79 HD11 ILE 10 HD11 ILE 10 2.185 4.233 -6.124
80 HD12 ILE 10 HD12 ILE 10 0.477 3.791 -6.106
81 HD13 ILE 10 HD13 ILE 10 1.716 2.539 -6.002
82 H1A 2AG 11 HD PRG 11 1.238 2.494 2.220
83 HB2 2AG 11 HB2 PRG 11 -1.437 2.426 2.445
84 HB3 2AG 11 HB3 PRG 11 -2.248 0.877 2.429
85 HA 2AG 11 HA PRG 11 -2.219 0.825 -0.004
86 H 2AG 11 H PRG 11 -0.957 3.464 -0.127
87 H PHE 12 H PHE 12 -4.331 0.943 -0.027
88 HA PHE 12 HA PHE 12 -5.634 3.456 0.765
89 HB2 PHE 12 HB2 PHE 12 -6.357 1.696 -1.598
90 HB3 PHE 12 HB3 PHE 12 -7.373 2.992 -0.995
91 HD1 PHE 12 HD1 PHE 12 -4.924 2.122 -3.342
92 HD2 PHE 12 HD2 PHE 12 -6.182 5.351 -0.865
93 HE1 PHE 12 HE3 PHE 12 -3.761 3.703 -4.811
94 HE2 PHE 12 HE2 PHE 12 -5.016 6.934 -2.335
95 HZ PHE 12 HZ PHE 12 -3.804 6.113 -4.312
96 HA PRO 13 HA PRO 13 -8.138 0.886 3.447
97 HB2 PRO 13 HB2 PRO 13 -10.512 2.259 3.382
98 HB3 PRO 13 HB3 PRO 13 -9.110 2.773 4.326
99 HG2 PRO 13 HG2 PRO 13 -10.021 3.700 1.631
100 HG3 PRO 13 HG3 PRO 13 -9.444 4.663 3.000
101 HD2 PRO 13 HD2 PRO 13 -7.844 4.119 0.927
102 HD3 PRO 13 HD3 PRO 13 -7.214 4.148 2.585
103 H ASP 14 H ASP 14 -8.573 1.065 0.247
104 HA ASP 14 HA ASP 14 -10.958 -0.349 -0.329
105 HB2 ASP 14 HB2 ASP 14 -9.761 0.783 -2.090
106 HB3 ASP 14 HB3 ASP 14 -8.300 -0.134 -1.759
Start of MODEL 7
1 H1 GLY 1 H GLY 1 -7.473 -0.882 1.239
2 HA2 GLY 1 HA2 GLY 1 -6.955 -2.480 2.949
3 HA3 GLY 1 HA3 GLY 1 -7.895 -3.676 2.062
4 H ARG 2 H ARG 2 -6.488 -2.176 -0.292
5 HA ARG 2 HA ARG 2 -4.409 -4.176 -0.548
6 HB2 ARG 2 HB2 ARG 2 -6.011 -3.586 -2.370
7 HB3 ARG 2 HB3 ARG 2 -5.211 -2.009 -2.429
8 HG2 ARG 2 HG2 ARG 2 -4.394 -3.384 -4.228
9 HG3 ARG 2 HG3 ARG 2 -3.108 -3.140 -3.042
10 HD2 ARG 2 HD2 ARG 2 -3.504 -5.351 -2.123
11 HD3 ARG 2 HD3 ARG 2 -4.876 -5.578 -3.207
12 HE ARG 2 HE ARG 2 -2.640 -4.989 -4.743
13 HH11 ARG 2 1HH1 ARG 2 -3.730 -7.664 -2.631
14 HH12 ARG 2 2HH1 ARG 2 -2.879 -8.841 -3.497
15 HH21 ARG 2 1HH2 ARG 2 -1.495 -6.662 -5.921
16 HH22 ARG 2 2HH2 ARG 2 -1.596 -8.272 -5.402
17 H1 RVJ 3 H AZA 3 -2.501 -3.750 0.019
18 HA RVJ 3 HA AZA 3 -1.316 -1.136 -0.308
19 HB3 RVJ 3 HB3 AZA 3 -1.186 -2.542 2.373
20 HB2 RVJ 3 HB2 AZA 3 -2.152 -1.143 2.050
21 H THR 4 H THR 4 0.261 -1.457 -1.520
22 HA THR 4 HA THR 4 1.752 -3.953 -1.457
23 HB THR 4 HB THR 4 1.914 -1.591 -3.343
24 HG1 THR 4 HG3 THR 4 0.228 -3.795 -3.114
25 HG21 THR 4 HG21 THR 4 3.865 -3.125 -3.412
26 HG22 THR 4 HG22 THR 4 2.918 -3.217 -4.898
27 HG23 THR 4 HG23 THR 4 2.768 -4.482 -3.678
28 H LYS 5 H LYS 5 3.966 -3.968 -0.914
29 HA LYS 5 HA LYS 5 4.764 -1.667 0.617
30 HB2 LYS 5 HB2 LYS 5 6.116 -4.359 0.435
31 HB3 LYS 5 HB3 LYS 5 6.472 -3.076 1.577
32 HG2 LYS 5 HG2 LYS 5 3.999 -4.789 1.447
33 HG3 LYS 5 HG3 LYS 5 5.226 -4.778 2.707
34 HD2 LYS 5 HD2 LYS 5 3.328 -2.508 2.056
35 HD3 LYS 5 HD3 LYS 5 3.176 -3.633 3.398
36 HE2 LYS 5 HE2 LYS 5 5.485 -1.728 3.004
37 HE3 LYS 5 HE3 LYS 5 4.093 -1.426 4.036
38 HZ1 LYS 5 HZ1 LYS 5 5.910 -2.238 5.340
39 HZ2 LYS 5 HZ2 LYS 5 6.097 -3.601 4.375
40 HZ3 LYS 5 HZ3 LYS 5 4.722 -3.425 5.315
41 H SER 6 H SER 6 4.832 -0.688 -1.502
42 HA SER 6 HA SER 6 7.276 -1.085 -2.965
43 HB2 SER 6 HB2 SER 6 6.161 0.766 -4.316
44 HB3 SER 6 HB3 SER 6 5.295 -0.776 -4.267
45 HG SER 6 HG SER 6 4.710 1.672 -3.081
46 H ILE 7 H ILE 7 8.284 1.198 -3.461
47 HA ILE 7 HA ILE 7 8.011 2.945 -1.182
48 HB ILE 7 HB ILE 7 10.500 3.402 -1.239
49 HG12 ILE 7 HG12 ILE 7 10.615 0.854 -2.883
50 HG13 ILE 7 HG13 ILE 7 10.925 2.463 -3.527
51 HG21 ILE 7 HG21 ILE 7 9.612 0.606 -0.537
52 HG22 ILE 7 HG22 ILE 7 9.568 2.014 0.509
53 HG23 ILE 7 HG23 ILE 7 11.124 1.330 0.013
54 HD11 ILE 7 HD11 ILE 7 12.861 2.646 -2.042
55 HD12 ILE 7 HD12 ILE 7 12.978 1.247 -3.110
56 HD13 ILE 7 HD13 ILE 7 12.524 1.032 -1.421
57 HA PRO 8 HA PRO 8 7.352 4.851 -0.749
58 HB2 PRO 8 HB2 PRO 8 5.164 6.283 -1.394
59 HB3 PRO 8 HB3 PRO 8 6.774 7.016 -1.340
60 HG2 PRO 8 HG2 PRO 8 5.227 6.009 -3.701
61 HG3 PRO 8 HG3 PRO 8 6.107 7.538 -3.527
62 HD2 PRO 8 HD2 PRO 8 7.149 5.415 -4.817
63 HD3 PRO 8 HD3 PRO 8 8.156 6.536 -3.883
64 HA PRO 9 HA PRO 9 4.462 1.496 -0.732
65 HB2 PRO 9 HB2 PRO 9 3.193 1.944 1.638
66 HB3 PRO 9 HB3 PRO 9 4.840 1.316 1.532
67 HG2 PRO 9 HG2 PRO 9 3.907 4.108 2.023
68 HG3 PRO 9 HG3 PRO 9 5.197 3.207 2.842
69 HD2 PRO 9 HD2 PRO 9 5.727 5.021 0.916
70 HD3 PRO 9 HD3 PRO 9 6.706 3.554 1.119
71 H ILE 10 H ILE 10 2.591 1.179 -1.705
72 HA ILE 10 HA ILE 10 0.725 3.442 -1.940
73 HB ILE 10 HB ILE 10 0.849 0.924 -3.624
74 HG12 ILE 10 HG12 ILE 10 1.867 3.683 -4.331
75 HG13 ILE 10 HG13 ILE 10 2.899 2.333 -3.865
76 HG21 ILE 10 HG21 ILE 10 -0.598 3.545 -4.034
77 HG22 ILE 10 HG22 ILE 10 -1.337 2.006 -3.591
78 HG23 ILE 10 HG23 ILE 10 -0.577 2.195 -5.171
79 HD11 ILE 10 HD11 ILE 10 1.097 2.436 -6.275
80 HD12 ILE 10 HD12 ILE 10 2.128 1.081 -5.814
81 HD13 ILE 10 HD13 ILE 10 2.850 2.620 -6.277
82 H1A 2AG 11 HD PRG 11 0.927 2.370 2.270
83 HB2 2AG 11 HB2 PRG 11 -1.693 2.405 2.198
84 HB3 2AG 11 HB3 PRG 11 -2.564 0.883 2.165
85 HA 2AG 11 HA PRG 11 -2.167 0.672 -0.238
86 H 2AG 11 H PRG 11 -0.817 3.248 -0.352
87 H PHE 12 H PHE 12 -4.177 0.728 -0.499
88 HA PHE 12 HA PHE 12 -5.539 3.324 -0.618
89 HB2 PHE 12 HB2 PHE 12 -6.269 0.645 -1.841
90 HB3 PHE 12 HB3 PHE 12 -7.213 2.114 -1.998
91 HD1 PHE 12 HD1 PHE 12 -4.326 0.249 -3.162
92 HD2 PHE 12 HD2 PHE 12 -6.383 3.963 -3.381
93 HE1 PHE 12 HE3 PHE 12 -3.091 0.809 -5.208
94 HE2 PHE 12 HE2 PHE 12 -5.154 4.532 -5.421
95 HZ PHE 12 HZ PHE 12 -3.501 2.952 -6.346
96 HA PRO 13 HA PRO 13 -8.085 2.132 2.931
97 HB2 PRO 13 HB2 PRO 13 -10.416 3.116 1.365
98 HB3 PRO 13 HB3 PRO 13 -9.852 3.621 2.960
99 HG2 PRO 13 HG2 PRO 13 -9.498 5.193 0.850
100 HG3 PRO 13 HG3 PRO 13 -8.237 5.039 2.086
101 HD2 PRO 13 HD2 PRO 13 -8.390 3.801 -0.634
102 HD3 PRO 13 HD3 PRO 13 -6.998 4.509 0.212
103 H ASP 14 H ASP 14 -8.541 1.056 -0.177
104 HA ASP 14 HA ASP 14 -10.683 -0.774 -0.078
105 HB2 ASP 14 HB2 ASP 14 -9.568 0.027 -2.151
106 HB3 ASP 14 HB3 ASP 14 -8.135 -0.884 -1.708
Start of MODEL 8
1 H1 GLY 1 H GLY 1 -7.927 -0.981 0.406
2 HA2 GLY 1 HA2 GLY 1 -8.217 -3.335 -1.300
3 HA3 GLY 1 HA3 GLY 1 -7.225 -2.011 -1.883
4 H ARG 2 H ARG 2 -5.172 -2.511 -1.657
5 HA ARG 2 HA ARG 2 -4.322 -3.670 0.917
6 HB2 ARG 2 HB2 ARG 2 -2.566 -4.897 -0.197
7 HB3 ARG 2 HB3 ARG 2 -4.089 -5.294 -0.977
8 HG2 ARG 2 HG2 ARG 2 -3.569 -3.867 -2.847
9 HG3 ARG 2 HG3 ARG 2 -2.123 -3.272 -2.036
10 HD2 ARG 2 HD2 ARG 2 -1.499 -4.910 -3.695
11 HD3 ARG 2 HD3 ARG 2 -1.190 -5.550 -2.089
12 HE ARG 2 HE ARG 2 -3.624 -6.515 -2.577
13 HH11 ARG 2 1HH1 ARG 2 -0.774 -6.494 -4.661
14 HH12 ARG 2 2HH1 ARG 2 -1.140 -7.991 -5.396
15 HH21 ARG 2 1HH2 ARG 2 -4.129 -8.529 -3.597
16 HH22 ARG 2 2HH2 ARG 2 -3.122 -9.159 -4.807
17 H1 RVJ 3 H AZA 3 -1.988 -3.227 1.318
18 HA RVJ 3 HA AZA 3 -1.143 -0.644 0.245
19 HB3 RVJ 3 HB3 AZA 3 -0.394 -1.863 2.914
20 HB2 RVJ 3 HB2 AZA 3 -1.654 -0.696 2.743
21 H THR 4 H THR 4 0.708 -0.599 -0.822
22 HA THR 4 HA THR 4 1.865 -3.149 -1.338
23 HB THR 4 HB THR 4 3.303 -1.791 -2.951
24 HG1 THR 4 HG3 THR 4 2.647 0.308 -3.330
25 HG21 THR 4 HG21 THR 4 1.450 -1.477 -4.545
26 HG22 THR 4 HG22 THR 4 0.293 -1.629 -3.223
27 HG23 THR 4 HG23 THR 4 1.295 -3.007 -3.680
28 H LYS 5 H LYS 5 3.983 -3.711 -1.054
29 HA LYS 5 HA LYS 5 5.304 -2.416 1.202
30 HB2 LYS 5 HB2 LYS 5 5.757 -5.132 -0.047
31 HB3 LYS 5 HB3 LYS 5 6.521 -4.531 1.417
32 HG2 LYS 5 HG2 LYS 5 3.594 -5.139 1.022
33 HG3 LYS 5 HG3 LYS 5 4.746 -6.041 2.013
34 HD2 LYS 5 HD2 LYS 5 5.054 -4.019 3.414
35 HD3 LYS 5 HD3 LYS 5 3.838 -3.213 2.415
36 HE2 LYS 5 HE2 LYS 5 2.161 -4.830 3.105
37 HE3 LYS 5 HE3 LYS 5 3.362 -5.688 4.071
38 HZ1 LYS 5 HZ1 LYS 5 2.476 -2.889 4.517
39 HZ2 LYS 5 HZ2 LYS 5 3.606 -3.702 5.448
40 HZ3 LYS 5 HZ3 LYS 5 1.992 -4.217 5.419
41 H SER 6 H SER 6 5.367 -1.623 -1.699
42 HA SER 6 HA SER 6 8.280 -1.579 -2.052
43 HB2 SER 6 HB2 SER 6 6.118 -1.100 -4.102
44 HB3 SER 6 HB3 SER 6 7.844 -1.288 -4.398
45 HG SER 6 HG SER 6 7.605 -3.462 -3.578
46 H ILE 7 H ILE 7 9.128 0.490 -1.843
47 HA ILE 7 HA ILE 7 7.176 2.625 -1.536
48 HB ILE 7 HB ILE 7 8.990 3.990 -0.553
49 HG12 ILE 7 HG12 ILE 7 10.685 1.487 -0.782
50 HG13 ILE 7 HG13 ILE 7 10.891 2.945 -1.747
51 HG21 ILE 7 HG21 ILE 7 9.213 2.740 1.554
52 HG22 ILE 7 HG22 ILE 7 8.635 1.290 0.732
53 HG23 ILE 7 HG23 ILE 7 7.567 2.676 0.916
54 HD11 ILE 7 HD11 ILE 7 11.213 2.735 1.238
55 HD12 ILE 7 HD12 ILE 7 11.412 4.203 0.281
56 HD13 ILE 7 HD13 ILE 7 12.511 2.844 0.049
57 HA PRO 8 HA PRO 8 7.204 5.053 -1.531
58 HB2 PRO 8 HB2 PRO 8 5.638 6.094 -3.820
59 HB3 PRO 8 HB3 PRO 8 6.441 6.984 -2.522
60 HG2 PRO 8 HG2 PRO 8 7.417 7.012 -5.005
61 HG3 PRO 8 HG3 PRO 8 8.494 6.963 -3.597
62 HD2 PRO 8 HD2 PRO 8 7.653 4.728 -5.410
63 HD3 PRO 8 HD3 PRO 8 9.265 5.105 -4.767
64 HA PRO 9 HA PRO 9 4.042 1.945 -1.883
65 HB2 PRO 9 HB2 PRO 9 3.134 1.991 0.605
66 HB3 PRO 9 HB3 PRO 9 4.785 1.466 0.252
67 HG2 PRO 9 HG2 PRO 9 3.814 4.049 1.370
68 HG3 PRO 9 HG3 PRO 9 5.284 3.143 1.761
69 HD2 PRO 9 HD2 PRO 9 5.102 5.338 0.012
70 HD3 PRO 9 HD3 PRO 9 6.472 4.219 0.145
71 H ILE 10 H ILE 10 1.802 1.677 -1.867
72 HA ILE 10 HA ILE 10 0.204 4.076 -1.466
73 HB ILE 10 HB ILE 10 0.490 3.714 -3.918
74 HG12 ILE 10 HG12 ILE 10 -1.929 3.581 -4.554
75 HG13 ILE 10 HG13 ILE 10 -2.289 3.143 -2.888
76 HG21 ILE 10 HG21 ILE 10 -0.491 1.753 -5.041
77 HG22 ILE 10 HG22 ILE 10 -0.777 1.023 -3.462
78 HG23 ILE 10 HG23 ILE 10 0.871 1.335 -3.999
79 HD11 ILE 10 HD11 ILE 10 -2.699 5.499 -3.303
80 HD12 ILE 10 HD12 ILE 10 -1.020 5.714 -3.797
81 HD13 ILE 10 HD13 ILE 10 -1.403 5.280 -2.132
82 H1A 2AG 11 HD PRG 11 0.606 3.363 2.284
83 HB2 2AG 11 HB2 PRG 11 -1.981 2.856 2.503
84 HB3 2AG 11 HB3 PRG 11 -2.503 1.183 2.635
85 HA 2AG 11 HA PRG 11 -2.220 0.885 0.222
86 H 2AG 11 H PRG 11 -1.506 3.680 -0.128
87 H PHE 12 H PHE 12 -4.089 0.546 -0.335
88 HA PHE 12 HA PHE 12 -6.028 2.702 -0.365
89 HB2 PHE 12 HB2 PHE 12 -6.309 -0.162 -1.290
90 HB3 PHE 12 HB3 PHE 12 -7.431 1.153 -1.594
91 HD1 PHE 12 HD1 PHE 12 -6.798 2.962 -3.176
92 HD2 PHE 12 HD2 PHE 12 -4.390 -0.509 -2.631
93 HE1 PHE 12 HE3 PHE 12 -5.656 3.416 -5.299
94 HE2 PHE 12 HE2 PHE 12 -3.246 -0.052 -4.751
95 HZ PHE 12 HZ PHE 12 -3.880 1.912 -6.089
96 HA PRO 13 HA PRO 13 -7.568 1.051 3.576
97 HB2 PRO 13 HB2 PRO 13 -9.886 2.806 3.031
98 HB3 PRO 13 HB3 PRO 13 -8.776 2.829 4.404
99 HG2 PRO 13 HG2 PRO 13 -8.716 4.757 2.542
100 HG3 PRO 13 HG3 PRO 13 -7.234 4.163 3.309
101 HD2 PRO 13 HD2 PRO 13 -8.350 3.515 0.600
102 HD3 PRO 13 HD3 PRO 13 -6.674 3.846 1.098
103 H ASP 14 H ASP 14 -8.944 1.044 0.534
104 HA ASP 14 HA ASP 14 -11.033 -0.916 1.213
105 HB2 ASP 14 HB2 ASP 14 -11.990 -0.333 -1.008
106 HB3 ASP 14 HB3 ASP 14 -11.910 1.045 0.084
Start of MODEL 9
1 H1 GLY 1 H GLY 1 -7.801 -0.971 0.512
2 HA2 GLY 1 HA2 GLY 1 -8.337 -3.071 -1.439
3 HA3 GLY 1 HA3 GLY 1 -7.584 -1.595 -2.026
4 H ARG 2 H ARG 2 -5.540 -2.025 -2.415
5 HA ARG 2 HA ARG 2 -4.048 -3.931 -0.775
6 HB2 ARG 2 HB2 ARG 2 -2.323 -3.795 -2.507
7 HB3 ARG 2 HB3 ARG 2 -3.894 -4.162 -3.204
8 HG2 ARG 2 HG2 ARG 2 -4.122 -1.847 -3.950
9 HG3 ARG 2 HG3 ARG 2 -2.599 -1.439 -3.178
10 HD2 ARG 2 HD2 ARG 2 -2.854 -3.498 -5.358
11 HD3 ARG 2 HD3 ARG 2 -2.503 -1.800 -5.672
12 HE ARG 2 HE ARG 2 -0.632 -2.632 -3.836
13 HH11 ARG 2 1HH1 ARG 2 -1.513 -3.621 -7.127
14 HH12 ARG 2 2HH1 ARG 2 0.073 -4.089 -7.550
15 HH21 ARG 2 1HH2 ARG 2 1.569 -3.237 -4.477
16 HH22 ARG 2 2HH2 ARG 2 1.857 -3.841 -6.035
17 H1 RVJ 3 H AZA 3 -2.049 -3.470 0.162
18 HA RVJ 3 HA AZA 3 -0.906 -0.878 -0.096
19 HB3 RVJ 3 HB3 AZA 3 -1.435 -1.932 2.706
20 HB2 RVJ 3 HB2 AZA 3 -2.315 -0.612 1.979
21 H THR 4 H THR 4 0.624 -1.914 -1.234
22 HA THR 4 HA THR 4 2.092 -3.987 0.107
23 HB THR 4 HB THR 4 3.452 -3.866 -2.076
24 HG1 THR 4 HG3 THR 4 2.924 -2.100 -3.114
25 HG21 THR 4 HG21 THR 4 1.764 -5.174 -3.300
26 HG22 THR 4 HG22 THR 4 0.520 -4.608 -2.183
27 HG23 THR 4 HG23 THR 4 1.825 -5.642 -1.600
28 H LYS 5 H LYS 5 4.329 -3.801 0.527
29 HA LYS 5 HA LYS 5 5.110 -1.246 1.520
30 HB2 LYS 5 HB2 LYS 5 6.435 -3.960 1.474
31 HB3 LYS 5 HB3 LYS 5 6.984 -2.565 2.393
32 HG2 LYS 5 HG2 LYS 5 5.096 -2.602 3.795
33 HG3 LYS 5 HG3 LYS 5 4.247 -3.726 2.742
34 HD2 LYS 5 HD2 LYS 5 4.959 -4.953 4.643
35 HD3 LYS 5 HD3 LYS 5 5.966 -5.413 3.277
36 HE2 LYS 5 HE2 LYS 5 6.837 -3.370 5.328
37 HE3 LYS 5 HE3 LYS 5 7.129 -5.083 5.549
38 HZ1 LYS 5 HZ1 LYS 5 8.248 -3.330 3.409
39 HZ2 LYS 5 HZ2 LYS 5 8.380 -5.009 3.407
40 HZ3 LYS 5 HZ3 LYS 5 9.074 -4.126 4.648
41 H SER 6 H SER 6 4.829 -1.048 -1.113
42 HA SER 6 HA SER 6 7.193 -1.457 -2.645
43 HB2 SER 6 HB2 SER 6 4.860 0.409 -3.128
44 HB3 SER 6 HB3 SER 6 5.940 -0.299 -4.333
45 HG SER 6 HG SER 6 5.149 -2.338 -3.693
46 H ILE 7 H ILE 7 8.077 0.704 -3.687
47 HA ILE 7 HA ILE 7 8.037 2.793 -1.695
48 HB ILE 7 HB ILE 7 10.459 3.315 -2.212
49 HG12 ILE 7 HG12 ILE 7 10.448 0.523 -3.404
50 HG13 ILE 7 HG13 ILE 7 10.652 2.013 -4.320
51 HG21 ILE 7 HG21 ILE 7 9.825 0.685 -0.898
52 HG22 ILE 7 HG22 ILE 7 9.833 2.269 -0.137
53 HG23 ILE 7 HG23 ILE 7 11.346 1.559 -0.712
54 HD11 ILE 7 HD11 ILE 7 12.776 0.885 -3.952
55 HD12 ILE 7 HD12 ILE 7 12.523 0.958 -2.209
56 HD13 ILE 7 HD13 ILE 7 12.743 2.445 -3.129
57 HA PRO 8 HA PRO 8 7.286 4.568 -1.361
58 HB2 PRO 8 HB2 PRO 8 5.000 5.965 -2.537
59 HB3 PRO 8 HB3 PRO 8 6.277 6.605 -1.499
60 HG2 PRO 8 HG2 PRO 8 6.089 7.289 -4.093
61 HG3 PRO 8 HG3 PRO 8 7.656 7.107 -3.284
62 HD2 PRO 8 HD2 PRO 8 6.216 5.166 -5.060
63 HD3 PRO 8 HD3 PRO 8 7.925 5.653 -5.084
64 HA PRO 9 HA PRO 9 4.153 1.438 -1.095
65 HB2 PRO 9 HB2 PRO 9 3.191 1.861 1.395
66 HB3 PRO 9 HB3 PRO 9 4.810 1.209 1.116
67 HG2 PRO 9 HG2 PRO 9 3.966 3.992 1.754
68 HG3 PRO 9 HG3 PRO 9 5.323 3.066 2.423
69 HD2 PRO 9 HD2 PRO 9 5.654 4.923 0.445
70 HD3 PRO 9 HD3 PRO 9 6.680 3.484 0.590
71 H ILE 10 H ILE 10 2.268 1.436 -2.066
72 HA ILE 10 HA ILE 10 0.530 3.776 -1.831
73 HB ILE 10 HB ILE 10 0.536 1.543 -3.891
74 HG12 ILE 10 HG12 ILE 10 1.369 4.444 -4.134
75 HG13 ILE 10 HG13 ILE 10 2.462 3.067 -4.089
76 HG21 ILE 10 HG21 ILE 10 -1.111 2.896 -5.105
77 HG22 ILE 10 HG22 ILE 10 -1.116 4.066 -3.787
78 HG23 ILE 10 HG23 ILE 10 -1.720 2.431 -3.514
79 HD11 ILE 10 HD11 ILE 10 0.415 3.638 -6.216
80 HD12 ILE 10 HD12 ILE 10 1.518 2.260 -6.189
81 HD13 ILE 10 HD13 ILE 10 2.153 3.897 -6.353
82 H1A 2AG 11 HD PRG 11 0.719 2.950 2.357
83 HB2 2AG 11 HB2 PRG 11 -1.882 2.940 2.082
84 HB3 2AG 11 HB3 PRG 11 -2.745 1.423 2.242
85 HA 2AG 11 HA PRG 11 -2.183 0.888 -0.091
86 H 2AG 11 H PRG 11 -1.041 3.551 -0.371
87 H PHE 12 H PHE 12 -4.179 0.636 -0.197
88 HA PHE 12 HA PHE 12 -6.010 2.928 -0.255
89 HB2 PHE 12 HB2 PHE 12 -6.328 0.133 -1.398
90 HB3 PHE 12 HB3 PHE 12 -7.545 1.395 -1.449
91 HD1 PHE 12 HD1 PHE 12 -4.301 0.290 -2.780
92 HD2 PHE 12 HD2 PHE 12 -7.450 3.131 -3.057
93 HE1 PHE 12 HE3 PHE 12 -3.432 1.045 -4.958
94 HE2 PHE 12 HE2 PHE 12 -6.593 3.884 -5.206
95 HZ PHE 12 HZ PHE 12 -4.580 2.848 -6.171
96 HA PRO 13 HA PRO 13 -7.082 1.137 3.751
97 HB2 PRO 13 HB2 PRO 13 -9.601 2.644 3.349
98 HB3 PRO 13 HB3 PRO 13 -8.459 2.709 4.695
99 HG2 PRO 13 HG2 PRO 13 -8.599 4.696 2.934
100 HG3 PRO 13 HG3 PRO 13 -7.042 4.173 3.597
101 HD2 PRO 13 HD2 PRO 13 -8.236 3.614 0.909
102 HD3 PRO 13 HD3 PRO 13 -6.554 3.970 1.362
103 H ASP 14 H ASP 14 -8.977 1.030 0.943
104 HA ASP 14 HA ASP 14 -10.561 -1.251 1.944
105 HB2 ASP 14 HB2 ASP 14 -12.267 -0.625 0.361
106 HB3 ASP 14 HB3 ASP 14 -11.835 0.795 1.306
Start of MODEL 10
1 H1 GLY 1 H GLY 1 -7.490 -1.177 0.709
2 HA2 GLY 1 HA2 GLY 1 -7.752 -2.898 2.665
3 HA3 GLY 1 HA3 GLY 1 -8.206 -3.934 1.322
4 H ARG 2 H ARG 2 -6.361 -3.072 -0.602
5 HA ARG 2 HA ARG 2 -4.111 -4.517 0.468
6 HB2 ARG 2 HB2 ARG 2 -5.080 -5.159 -1.691
7 HB3 ARG 2 HB3 ARG 2 -4.643 -3.586 -2.344
8 HG2 ARG 2 HG2 ARG 2 -3.096 -5.326 -3.083
9 HG3 ARG 2 HG3 ARG 2 -2.276 -4.122 -2.090
10 HD2 ARG 2 HD2 ARG 2 -1.568 -6.403 -1.528
11 HD3 ARG 2 HD3 ARG 2 -2.372 -5.617 -0.174
12 HE ARG 2 HE ARG 2 -4.065 -7.246 -1.845
13 HH11 ARG 2 1HH1 ARG 2 -2.117 -7.109 1.113
14 HH12 ARG 2 2HH1 ARG 2 -2.756 -8.539 1.773
15 HH21 ARG 2 1HH2 ARG 2 -4.957 -9.235 -0.899
16 HH22 ARG 2 2HH2 ARG 2 -4.392 -9.755 0.609
17 H1 RVJ 3 H AZA 3 -2.167 -3.812 0.787
18 HA RVJ 3 HA AZA 3 -1.510 -1.050 0.126
19 HB3 RVJ 3 HB3 AZA 3 -0.507 -2.703 2.445
20 HB2 RVJ 3 HB2 AZA 3 -1.636 -1.412 2.586
21 H THR 4 H THR 4 -0.022 -0.844 -1.381
22 HA THR 4 HA THR 4 1.611 -3.092 -2.148
23 HB THR 4 HB THR 4 1.879 -0.274 -3.044
24 HG1 THR 4 HG3 THR 4 -0.181 -0.419 -3.651
25 HG21 THR 4 HG21 THR 4 3.497 -1.860 -3.916
26 HG22 THR 4 HG22 THR 4 2.443 -1.321 -5.221
27 HG23 THR 4 HG23 THR 4 2.200 -2.908 -4.491
28 H LYS 5 H LYS 5 3.464 -3.425 -1.069
29 HA LYS 5 HA LYS 5 4.457 -1.440 0.785
30 HB2 LYS 5 HB2 LYS 5 5.848 -3.246 1.620
31 HB3 LYS 5 HB3 LYS 5 4.186 -3.787 1.436
32 HG2 LYS 5 HG2 LYS 5 4.828 -4.746 -0.768
33 HG3 LYS 5 HG3 LYS 5 6.511 -4.393 -0.363
34 HD2 LYS 5 HD2 LYS 5 6.190 -5.766 1.687
35 HD3 LYS 5 HD3 LYS 5 4.568 -6.121 1.044
36 HE2 LYS 5 HE2 LYS 5 5.519 -7.121 -0.939
37 HE3 LYS 5 HE3 LYS 5 7.147 -6.731 -0.392
38 HZ1 LYS 5 HZ1 LYS 5 5.267 -8.611 0.917
39 HZ2 LYS 5 HZ2 LYS 5 6.795 -8.200 1.495
40 HZ3 LYS 5 HZ3 LYS 5 6.647 -9.024 0.035
41 H SER 6 H SER 6 4.899 -1.757 -2.323
42 HA SER 6 HA SER 6 7.743 -1.548 -2.585
43 HB2 SER 6 HB2 SER 6 5.601 -0.686 -4.546
44 HB3 SER 6 HB3 SER 6 7.278 -1.108 -4.897
45 HG SER 6 HG SER 6 5.820 -2.787 -5.388
46 H ILE 7 H ILE 7 8.743 0.221 -1.821
47 HA ILE 7 HA ILE 7 7.271 2.578 -1.155
48 HB ILE 7 HB ILE 7 9.407 3.471 -0.274
49 HG12 ILE 7 HG12 ILE 7 10.593 0.854 -1.239
50 HG13 ILE 7 HG13 ILE 7 10.910 2.426 -1.957
51 HG21 ILE 7 HG21 ILE 7 9.706 1.800 1.507
52 HG22 ILE 7 HG22 ILE 7 8.805 0.628 0.549
53 HG23 ILE 7 HG23 ILE 7 7.999 2.068 1.155
54 HD11 ILE 7 HD11 ILE 7 11.933 3.148 0.146
55 HD12 ILE 7 HD12 ILE 7 12.731 1.731 -0.536
56 HD13 ILE 7 HD13 ILE 7 11.626 1.551 0.828
57 HA PRO 8 HA PRO 8 7.449 4.943 -0.839
58 HB2 PRO 8 HB2 PRO 8 5.703 6.402 -2.729
59 HB3 PRO 8 HB3 PRO 8 6.733 7.048 -1.448
60 HG2 PRO 8 HG2 PRO 8 7.382 7.372 -4.014
61 HG3 PRO 8 HG3 PRO 8 8.624 7.051 -2.790
62 HD2 PRO 8 HD2 PRO 8 7.364 5.155 -4.746
63 HD3 PRO 8 HD3 PRO 8 9.077 5.349 -4.315
64 HA PRO 9 HA PRO 9 4.354 1.864 -0.998
65 HB2 PRO 9 HB2 PRO 9 3.351 2.068 1.475
66 HB3 PRO 9 HB3 PRO 9 4.998 1.488 1.193
67 HG2 PRO 9 HG2 PRO 9 4.052 4.211 1.932
68 HG3 PRO 9 HG3 PRO 9 5.353 3.268 2.682
69 HD2 PRO 9 HD2 PRO 9 5.877 5.180 0.840
70 HD3 PRO 9 HD3 PRO 9 6.844 3.696 0.929
71 H ILE 10 H ILE 10 2.450 1.886 -1.955
72 HA ILE 10 HA ILE 10 0.673 4.062 -1.386
73 HB ILE 10 HB ILE 10 -0.301 3.322 -3.598
74 HG12 ILE 10 HG12 ILE 10 2.446 2.076 -3.893
75 HG13 ILE 10 HG13 ILE 10 0.892 1.251 -3.909
76 HG21 ILE 10 HG21 ILE 10 2.391 4.700 -3.529
77 HG22 ILE 10 HG22 ILE 10 0.822 5.465 -3.289
78 HG23 ILE 10 HG23 ILE 10 1.246 4.799 -4.867
79 HD11 ILE 10 HD11 ILE 10 0.325 2.361 -5.999
80 HD12 ILE 10 HD12 ILE 10 1.821 1.434 -6.135
81 HD13 ILE 10 HD13 ILE 10 1.883 3.189 -5.976
82 H1A 2AG 11 HD PRG 11 1.022 2.467 1.981
83 HB2 2AG 11 HB2 PRG 11 -1.726 2.137 2.242
84 HB3 2AG 11 HB3 PRG 11 -2.349 0.520 1.964
85 HA 2AG 11 HA PRG 11 -1.803 0.683 -0.413
86 H 2AG 11 H PRG 11 -0.774 3.342 0.049
87 H PHE 12 H PHE 12 -3.937 0.371 -0.295
88 HA PHE 12 HA PHE 12 -5.413 2.823 -0.779
89 HB2 PHE 12 HB2 PHE 12 -6.041 0.002 -1.664
90 HB3 PHE 12 HB3 PHE 12 -6.841 1.478 -2.193
91 HD1 PHE 12 HD1 PHE 12 -5.532 3.149 -3.557
92 HD2 PHE 12 HD2 PHE 12 -4.074 -0.759 -2.709
93 HE1 PHE 12 HE3 PHE 12 -3.892 3.364 -5.370
94 HE2 PHE 12 HE2 PHE 12 -2.433 -0.546 -4.526
95 HZ PHE 12 HZ PHE 12 -2.339 1.523 -5.857
96 HA PRO 13 HA PRO 13 -7.784 1.926 2.929
97 HB2 PRO 13 HB2 PRO 13 -10.031 3.228 1.492
98 HB3 PRO 13 HB3 PRO 13 -9.292 3.656 3.039
99 HG2 PRO 13 HG2 PRO 13 -8.870 5.155 0.879
100 HG3 PRO 13 HG3 PRO 13 -7.581 4.856 2.052
101 HD2 PRO 13 HD2 PRO 13 -8.027 3.597 -0.625
102 HD3 PRO 13 HD3 PRO 13 -6.521 4.152 0.143
103 H ASP 14 H ASP 14 -8.593 1.127 -0.229
104 HA ASP 14 HA ASP 14 -10.860 -0.454 -0.108
105 HB2 ASP 14 HB2 ASP 14 -8.388 -0.830 -1.800
106 HB3 ASP 14 HB3 ASP 14 -9.945 -1.590 -2.104
Start of MODEL 11
1 H1 GLY 1 H GLY 1 -8.294 -2.264 0.889
2 HA2 GLY 1 HA2 GLY 1 -8.501 -3.275 -1.600
3 HA3 GLY 1 HA3 GLY 1 -7.692 -1.730 -1.847
4 H ARG 2 H ARG 2 -5.569 -1.799 -1.809
5 HA ARG 2 HA ARG 2 -4.237 -4.018 -0.393
6 HB2 ARG 2 HB2 ARG 2 -2.606 -4.075 -2.239
7 HB3 ARG 2 HB3 ARG 2 -4.236 -4.434 -2.796
8 HG2 ARG 2 HG2 ARG 2 -4.450 -2.136 -3.625
9 HG3 ARG 2 HG3 ARG 2 -2.819 -1.790 -3.062
10 HD2 ARG 2 HD2 ARG 2 -3.522 -3.880 -5.112
11 HD3 ARG 2 HD3 ARG 2 -2.960 -2.253 -5.487
12 HE ARG 2 HE ARG 2 -1.166 -3.647 -3.754
13 HH11 ARG 2 1HH1 ARG 2 -2.120 -3.321 -7.138
14 HH12 ARG 2 2HH1 ARG 2 -0.599 -3.776 -7.755
15 HH21 ARG 2 1HH2 ARG 2 0.896 -4.235 -4.579
16 HH22 ARG 2 2HH2 ARG 2 1.180 -4.310 -6.271
17 H1 RVJ 3 H AZA 3 -2.066 -3.562 0.262
18 HA RVJ 3 HA AZA 3 -0.988 -0.941 -0.103
19 HB3 RVJ 3 HB3 AZA 3 -1.262 -2.029 2.713
20 HB2 RVJ 3 HB2 AZA 3 -2.226 -0.728 2.075
21 H THR 4 H THR 4 0.483 -1.880 -1.344
22 HA THR 4 HA THR 4 2.122 -4.013 -0.301
23 HB THR 4 HB THR 4 2.415 -2.457 -2.886
24 HG1 THR 4 HG3 THR 4 0.672 -4.513 -2.083
25 HG21 THR 4 HG21 THR 4 3.219 -5.277 -2.110
26 HG22 THR 4 HG22 THR 4 4.322 -3.909 -2.258
27 HG23 THR 4 HG23 THR 4 3.487 -4.526 -3.684
28 H LYS 5 H LYS 5 4.298 -3.685 0.364
29 HA LYS 5 HA LYS 5 4.852 -0.963 1.058
30 HB2 LYS 5 HB2 LYS 5 6.046 -3.559 2.056
31 HB3 LYS 5 HB3 LYS 5 6.674 -1.984 2.500
32 HG2 LYS 5 HG2 LYS 5 5.289 -2.778 4.292
33 HG3 LYS 5 HG3 LYS 5 4.450 -1.447 3.504
34 HD2 LYS 5 HD2 LYS 5 3.098 -3.101 2.249
35 HD3 LYS 5 HD3 LYS 5 3.914 -4.391 3.134
36 HE2 LYS 5 HE2 LYS 5 3.041 -3.549 5.221
37 HE3 LYS 5 HE3 LYS 5 2.313 -2.180 4.382
38 HZ1 LYS 5 HZ1 LYS 5 1.561 -5.044 4.051
39 HZ2 LYS 5 HZ2 LYS 5 0.936 -3.793 3.136
40 HZ3 LYS 5 HZ3 LYS 5 0.650 -3.838 4.795
41 H SER 6 H SER 6 5.113 -0.829 -1.254
42 HA SER 6 HA SER 6 7.762 -1.506 -2.164
43 HB2 SER 6 HB2 SER 6 5.473 -0.058 -3.507
44 HB3 SER 6 HB3 SER 6 6.942 -0.617 -4.306
45 HG SER 6 HG SER 6 6.363 -2.733 -3.737
46 H ILE 7 H ILE 7 8.400 0.793 -3.595
47 HA ILE 7 HA ILE 7 8.116 2.877 -1.626
48 HB ILE 7 HB ILE 7 10.513 3.560 -2.044
49 HG12 ILE 7 HG12 ILE 7 10.714 0.787 -3.277
50 HG13 ILE 7 HG13 ILE 7 10.819 2.289 -4.180
51 HG21 ILE 7 HG21 ILE 7 11.443 1.775 -0.535
52 HG22 ILE 7 HG22 ILE 7 9.940 0.867 -0.801
53 HG23 ILE 7 HG23 ILE 7 9.886 2.420 -0.008
54 HD11 ILE 7 HD11 ILE 7 13.010 1.332 -3.811
55 HD12 ILE 7 HD12 ILE 7 12.738 1.334 -2.069
56 HD13 ILE 7 HD13 ILE 7 12.857 2.861 -2.945
57 HA PRO 8 HA PRO 8 7.257 4.591 -1.374
58 HB2 PRO 8 HB2 PRO 8 4.910 5.895 -2.398
59 HB3 PRO 8 HB3 PRO 8 6.307 6.637 -1.616
60 HG2 PRO 8 HG2 PRO 8 5.643 6.987 -4.261
61 HG3 PRO 8 HG3 PRO 8 7.275 7.178 -3.608
62 HD2 PRO 8 HD2 PRO 8 6.078 4.872 -5.079
63 HD3 PRO 8 HD3 PRO 8 7.713 5.562 -5.195
64 HA PRO 9 HA PRO 9 4.152 1.417 -1.139
65 HB2 PRO 9 HB2 PRO 9 3.267 1.736 1.375
66 HB3 PRO 9 HB3 PRO 9 4.890 1.130 1.019
67 HG2 PRO 9 HG2 PRO 9 4.018 3.861 1.826
68 HG3 PRO 9 HG3 PRO 9 5.430 2.941 2.382
69 HD2 PRO 9 HD2 PRO 9 5.556 4.903 0.453
70 HD3 PRO 9 HD3 PRO 9 6.695 3.547 0.557
71 H ILE 10 H ILE 10 2.351 1.588 -2.222
72 HA ILE 10 HA ILE 10 0.564 3.837 -1.703
73 HB ILE 10 HB ILE 10 0.571 1.870 -4.022
74 HG12 ILE 10 HG12 ILE 10 1.329 4.795 -3.939
75 HG13 ILE 10 HG13 ILE 10 2.486 3.474 -3.976
76 HG21 ILE 10 HG21 ILE 10 -1.095 3.376 -5.044
77 HG22 ILE 10 HG22 ILE 10 -1.105 4.355 -3.577
78 HG23 ILE 10 HG23 ILE 10 -1.691 2.693 -3.528
79 HD11 ILE 10 HD11 ILE 10 1.629 2.823 -6.184
80 HD12 ILE 10 HD12 ILE 10 2.224 4.483 -6.163
81 HD13 ILE 10 HD13 ILE 10 0.489 4.167 -6.120
82 H1A 2AG 11 HD PRG 11 0.736 2.898 2.188
83 HB2 2AG 11 HB2 PRG 11 -1.906 2.804 2.010
84 HB3 2AG 11 HB3 PRG 11 -2.707 1.250 2.122
85 HA 2AG 11 HA PRG 11 -2.141 0.803 -0.234
86 H 2AG 11 H PRG 11 -1.081 3.506 -0.436
87 H PHE 12 H PHE 12 -4.233 0.590 0.069
88 HA PHE 12 HA PHE 12 -5.933 2.947 -0.231
89 HB2 PHE 12 HB2 PHE 12 -6.370 0.146 -1.329
90 HB3 PHE 12 HB3 PHE 12 -7.510 1.475 -1.457
91 HD1 PHE 12 HD1 PHE 12 -7.098 3.318 -3.018
92 HD2 PHE 12 HD2 PHE 12 -4.392 0.043 -2.728
93 HE1 PHE 12 HE3 PHE 12 -6.061 3.987 -5.135
94 HE2 PHE 12 HE2 PHE 12 -3.352 0.716 -4.854
95 HZ PHE 12 HZ PHE 12 -4.182 2.689 -6.056
96 HA PRO 13 HA PRO 13 -7.324 1.500 3.815
97 HB2 PRO 13 HB2 PRO 13 -9.812 2.951 3.085
98 HB3 PRO 13 HB3 PRO 13 -8.799 3.128 4.520
99 HG2 PRO 13 HG2 PRO 13 -8.738 4.969 2.622
100 HG3 PRO 13 HG3 PRO 13 -7.237 4.454 3.411
101 HD2 PRO 13 HD2 PRO 13 -8.316 3.703 0.719
102 HD3 PRO 13 HD3 PRO 13 -6.651 4.100 1.210
103 H ASP 14 H ASP 14 -8.965 1.060 0.913
104 HA ASP 14 HA ASP 14 -10.100 -1.439 1.861
105 HB2 ASP 14 HB2 ASP 14 -12.001 0.183 1.823
106 HB3 ASP 14 HB3 ASP 14 -11.613 0.566 0.151
Start of MODEL 12
1 H1 GLY 1 H GLY 1 -7.920 -0.604 -0.005
2 HA2 GLY 1 HA2 GLY 1 -7.887 -2.470 -2.258
3 HA3 GLY 1 HA3 GLY 1 -6.758 -1.121 -2.152
4 H ARG 2 H ARG 2 -4.851 -1.652 -1.437
5 HA ARG 2 HA ARG 2 -4.547 -3.406 0.843
6 HB2 ARG 2 HB2 ARG 2 -4.579 -4.725 -1.390
7 HB3 ARG 2 HB3 ARG 2 -3.069 -3.909 -1.748
8 HG2 ARG 2 HG2 ARG 2 -2.678 -6.145 -0.912
9 HG3 ARG 2 HG3 ARG 2 -2.061 -4.946 0.231
10 HD2 ARG 2 HD2 ARG 2 -3.304 -6.831 1.290
11 HD3 ARG 2 HD3 ARG 2 -3.958 -5.240 1.671
12 HE ARG 2 HE ARG 2 -5.214 -6.475 -0.588
13 HH11 ARG 2 1HH1 ARG 2 -5.238 -6.390 2.954
14 HH12 ARG 2 2HH1 ARG 2 -6.892 -6.786 3.088
15 HH21 ARG 2 1HH2 ARG 2 -7.467 -7.043 -0.392
16 HH22 ARG 2 2HH2 ARG 2 -8.182 -7.166 1.152
17 H1 RVJ 3 H AZA 3 -2.159 -3.222 1.524
18 HA RVJ 3 HA AZA 3 -0.999 -0.769 0.473
19 HB3 RVJ 3 HB3 AZA 3 -0.555 -1.928 3.230
20 HB2 RVJ 3 HB2 AZA 3 -1.676 -0.657 2.877
21 H THR 4 H THR 4 0.688 -0.939 -0.679
22 HA THR 4 HA THR 4 2.039 -3.441 -0.852
23 HB THR 4 HB THR 4 3.294 -2.243 -2.695
24 HG1 THR 4 HG3 THR 4 2.569 -0.282 -3.312
25 HG21 THR 4 HG21 THR 4 1.316 -3.606 -3.160
26 HG22 THR 4 HG22 THR 4 1.358 -2.188 -4.211
27 HG23 THR 4 HG23 THR 4 0.279 -2.224 -2.816
28 H LYS 5 H LYS 5 4.341 -3.670 -0.619
29 HA LYS 5 HA LYS 5 5.391 -1.810 1.363
30 HB2 LYS 5 HB2 LYS 5 5.844 -4.705 0.938
31 HB3 LYS 5 HB3 LYS 5 7.230 -3.780 1.487
32 HG2 LYS 5 HG2 LYS 5 6.037 -4.763 3.371
33 HG3 LYS 5 HG3 LYS 5 5.982 -3.007 3.433
34 HD2 LYS 5 HD2 LYS 5 3.822 -3.811 4.045
35 HD3 LYS 5 HD3 LYS 5 3.682 -3.148 2.419
36 HE2 LYS 5 HE2 LYS 5 3.857 -5.428 1.505
37 HE3 LYS 5 HE3 LYS 5 3.956 -6.051 3.146
38 HZ1 LYS 5 HZ1 LYS 5 1.632 -4.580 2.015
39 HZ2 LYS 5 HZ2 LYS 5 1.759 -5.114 3.587
40 HZ3 LYS 5 HZ3 LYS 5 1.701 -6.235 2.332
41 H SER 6 H SER 6 5.578 -2.184 -1.765
42 HA SER 6 HA SER 6 8.373 -1.536 -2.146
43 HB2 SER 6 HB2 SER 6 6.047 -1.381 -4.078
44 HB3 SER 6 HB3 SER 6 7.756 -1.381 -4.507
45 HG SER 6 HG SER 6 7.779 -3.474 -3.342
46 H ILE 7 H ILE 7 9.135 0.577 -2.624
47 HA ILE 7 HA ILE 7 7.300 2.681 -1.780
48 HB ILE 7 HB ILE 7 9.312 4.105 -1.511
49 HG12 ILE 7 HG12 ILE 7 10.864 1.568 -2.118
50 HG13 ILE 7 HG13 ILE 7 10.725 2.936 -3.209
51 HG21 ILE 7 HG21 ILE 7 8.424 2.909 0.393
52 HG22 ILE 7 HG22 ILE 7 10.186 2.939 0.486
53 HG23 ILE 7 HG23 ILE 7 9.353 1.476 -0.041
54 HD11 ILE 7 HD11 ILE 7 11.889 4.341 -1.573
55 HD12 ILE 7 HD12 ILE 7 12.854 2.948 -2.060
56 HD13 ILE 7 HD13 ILE 7 12.033 2.950 -0.499
57 HA PRO 8 HA PRO 8 7.005 4.911 -1.865
58 HB2 PRO 8 HB2 PRO 8 4.885 5.903 -3.655
59 HB3 PRO 8 HB3 PRO 8 5.986 6.824 -2.627
60 HG2 PRO 8 HG2 PRO 8 6.237 6.864 -5.289
61 HG3 PRO 8 HG3 PRO 8 7.660 6.870 -4.229
62 HD2 PRO 8 HD2 PRO 8 6.413 4.570 -5.699
63 HD3 PRO 8 HD3 PRO 8 8.128 5.033 -5.590
64 HA PRO 9 HA PRO 9 4.050 1.674 -1.369
65 HB2 PRO 9 HB2 PRO 9 3.228 2.172 1.126
66 HB3 PRO 9 HB3 PRO 9 4.874 1.628 0.774
67 HG2 PRO 9 HG2 PRO 9 3.880 4.384 1.368
68 HG3 PRO 9 HG3 PRO 9 5.347 3.574 1.946
69 HD2 PRO 9 HD2 PRO 9 5.290 5.361 -0.145
70 HD3 PRO 9 HD3 PRO 9 6.521 4.099 0.060
71 H ILE 10 H ILE 10 1.996 1.346 -1.895
72 HA ILE 10 HA ILE 10 0.145 3.622 -1.790
73 HB ILE 10 HB ILE 10 0.015 1.109 -3.515
74 HG12 ILE 10 HG12 ILE 10 0.037 2.822 -5.440
75 HG13 ILE 10 HG13 ILE 10 0.618 3.975 -4.256
76 HG21 ILE 10 HG21 ILE 10 -2.202 1.755 -2.868
77 HG22 ILE 10 HG22 ILE 10 -1.955 2.089 -4.582
78 HG23 ILE 10 HG23 ILE 10 -1.913 3.408 -3.412
79 HD11 ILE 10 HD11 ILE 10 1.976 1.418 -5.066
80 HD12 ILE 10 HD12 ILE 10 2.577 2.562 -3.867
81 HD13 ILE 10 HD13 ILE 10 2.442 3.046 -5.557
82 H1A 2AG 11 HD PRG 11 0.974 3.136 2.449
83 HB2 2AG 11 HB2 PRG 11 -1.593 2.900 2.625
84 HB3 2AG 11 HB3 PRG 11 -2.288 1.322 2.922
85 HA 2AG 11 HA PRG 11 -2.227 0.799 0.551
86 H 2AG 11 H PRG 11 -1.255 3.473 -0.123
87 H PHE 12 H PHE 12 -4.210 0.822 -0.036
88 HA PHE 12 HA PHE 12 -5.843 3.100 0.820
89 HB2 PHE 12 HB2 PHE 12 -6.322 1.211 -1.503
90 HB3 PHE 12 HB3 PHE 12 -7.480 2.407 -0.945
91 HD1 PHE 12 HD1 PHE 12 -5.489 1.804 -3.545
92 HD2 PHE 12 HD2 PHE 12 -5.994 4.825 -0.588
93 HE1 PHE 12 HE3 PHE 12 -4.501 3.465 -5.067
94 HE2 PHE 12 HE2 PHE 12 -5.008 6.480 -2.105
95 HZ PHE 12 HZ PHE 12 -4.264 5.803 -4.348
96 HA PRO 13 HA PRO 13 -7.796 0.122 3.555
97 HB2 PRO 13 HB2 PRO 13 -10.196 1.840 3.263
98 HB3 PRO 13 HB3 PRO 13 -9.339 1.361 4.732
99 HG2 PRO 13 HG2 PRO 13 -9.140 3.849 3.793
100 HG3 PRO 13 HG3 PRO 13 -7.746 3.023 4.510
101 HD2 PRO 13 HD2 PRO 13 -8.376 3.503 1.620
102 HD3 PRO 13 HD3 PRO 13 -6.821 3.585 2.479
103 H ASP 14 H ASP 14 -9.204 1.293 0.698
104 HA ASP 14 HA ASP 14 -11.107 -0.910 0.408
105 HB2 ASP 14 HB2 ASP 14 -10.476 1.405 -1.436
106 HB3 ASP 14 HB3 ASP 14 -11.669 0.159 -1.773
Start of MODEL 13
1 H1 GLY 1 H GLY 1 -7.844 -0.914 0.760
2 HA2 GLY 1 HA2 GLY 1 -8.437 -3.533 -0.372
3 HA3 GLY 1 HA3 GLY 1 -7.908 -2.252 -1.446
4 H ARG 2 H ARG 2 -5.941 -2.648 -2.034
5 HA ARG 2 HA ARG 2 -4.151 -4.175 -0.351
6 HB2 ARG 2 HB2 ARG 2 -3.935 -3.194 -3.170
7 HB3 ARG 2 HB3 ARG 2 -2.612 -3.978 -2.330
8 HG2 ARG 2 HG2 ARG 2 -4.002 -5.970 -2.048
9 HG3 ARG 2 HG3 ARG 2 -5.297 -5.171 -2.949
10 HD2 ARG 2 HD2 ARG 2 -3.953 -6.671 -4.371
11 HD3 ARG 2 HD3 ARG 2 -3.889 -4.991 -4.897
12 HE ARG 2 HE ARG 2 -1.724 -5.464 -3.183
13 HH11 ARG 2 1HH1 ARG 2 -2.781 -6.543 -6.378
14 HH12 ARG 2 2HH1 ARG 2 -1.209 -6.647 -7.024
15 HH21 ARG 2 1HH2 ARG 2 0.413 -5.577 -4.059
16 HH22 ARG 2 2HH2 ARG 2 0.655 -6.102 -5.667
17 H1 RVJ 3 H AZA 3 -2.020 -3.605 0.016
18 HA RVJ 3 HA AZA 3 -1.237 -0.880 -0.427
19 HB3 RVJ 3 HB3 AZA 3 -0.935 -2.262 2.249
20 HB2 RVJ 3 HB2 AZA 3 -2.053 -0.978 1.941
21 H THR 4 H THR 4 0.564 -0.832 -1.394
22 HA THR 4 HA THR 4 2.087 -3.246 -1.772
23 HB THR 4 HB THR 4 2.631 -0.449 -2.759
24 HG1 THR 4 HG3 THR 4 1.555 -1.574 -4.705
25 HG21 THR 4 HG21 THR 4 3.366 -3.160 -3.873
26 HG22 THR 4 HG22 THR 4 4.472 -2.050 -3.060
27 HG23 THR 4 HG23 THR 4 3.769 -1.610 -4.615
28 H LYS 5 H LYS 5 4.093 -3.639 -0.888
29 HA LYS 5 HA LYS 5 4.811 -2.014 1.387
30 HB2 LYS 5 HB2 LYS 5 6.010 -4.617 0.428
31 HB3 LYS 5 HB3 LYS 5 6.310 -3.853 1.981
32 HG2 LYS 5 HG2 LYS 5 3.662 -4.940 1.031
33 HG3 LYS 5 HG3 LYS 5 4.741 -5.704 2.200
34 HD2 LYS 5 HD2 LYS 5 4.456 -3.801 3.714
35 HD3 LYS 5 HD3 LYS 5 3.435 -3.020 2.497
36 HE2 LYS 5 HE2 LYS 5 1.772 -4.726 2.706
37 HE3 LYS 5 HE3 LYS 5 2.806 -5.670 3.775
38 HZ1 LYS 5 HZ1 LYS 5 1.751 -2.962 4.438
39 HZ2 LYS 5 HZ2 LYS 5 2.579 -4.006 5.478
40 HZ3 LYS 5 HZ3 LYS 5 1.059 -4.404 4.917
41 H SER 6 H SER 6 5.682 -2.309 -1.703
42 HA SER 6 HA SER 6 8.429 -1.441 -1.466
43 HB2 SER 6 HB2 SER 6 6.636 -1.470 -3.910
44 HB3 SER 6 HB3 SER 6 8.391 -1.270 -3.908
45 HG SER 6 HG SER 6 7.038 -3.529 -2.868
46 H ILE 7 H ILE 7 9.174 0.643 -1.635
47 HA ILE 7 HA ILE 7 7.153 2.683 -1.188
48 HB ILE 7 HB ILE 7 9.004 4.123 -0.434
49 HG12 ILE 7 HG12 ILE 7 10.794 1.731 -0.949
50 HG13 ILE 7 HG13 ILE 7 10.746 3.176 -1.954
51 HG21 ILE 7 HG21 ILE 7 7.899 2.674 1.188
52 HG22 ILE 7 HG22 ILE 7 9.608 2.860 1.575
53 HG23 ILE 7 HG23 ILE 7 9.035 1.380 0.812
54 HD11 ILE 7 HD11 ILE 7 12.639 3.201 -0.450
55 HD12 ILE 7 HD12 ILE 7 11.561 3.044 0.938
56 HD13 ILE 7 HD13 ILE 7 11.515 4.501 -0.057
57 HA PRO 8 HA PRO 8 7.035 5.067 -1.235
58 HB2 PRO 8 HB2 PRO 8 5.210 6.100 -3.297
59 HB3 PRO 8 HB3 PRO 8 6.194 7.000 -2.143
60 HG2 PRO 8 HG2 PRO 8 6.753 6.947 -4.781
61 HG3 PRO 8 HG3 PRO 8 8.017 7.070 -3.545
62 HD2 PRO 8 HD2 PRO 8 7.151 4.709 -5.158
63 HD3 PRO 8 HD3 PRO 8 8.774 5.197 -4.652
64 HA PRO 9 HA PRO 9 4.139 1.761 -1.114
65 HB2 PRO 9 HB2 PRO 9 3.018 2.262 1.284
66 HB3 PRO 9 HB3 PRO 9 4.675 1.672 1.126
67 HG2 PRO 9 HG2 PRO 9 3.687 4.448 1.585
68 HG3 PRO 9 HG3 PRO 9 5.040 3.606 2.364
69 HD2 PRO 9 HD2 PRO 9 5.367 5.380 0.327
70 HD3 PRO 9 HD3 PRO 9 6.471 4.019 0.610
71 H ILE 10 H ILE 10 2.365 1.637 -2.252
72 HA ILE 10 HA ILE 10 0.416 3.823 -2.240
73 HB ILE 10 HB ILE 10 0.629 1.397 -4.060
74 HG12 ILE 10 HG12 ILE 10 1.321 4.285 -4.656
75 HG13 ILE 10 HG13 ILE 10 2.498 3.020 -4.353
76 HG21 ILE 10 HG21 ILE 10 -1.017 2.555 -5.471
77 HG22 ILE 10 HG22 ILE 10 -1.144 3.834 -4.266
78 HG23 ILE 10 HG23 ILE 10 -1.664 2.198 -3.869
79 HD11 ILE 10 HD11 ILE 10 0.551 3.141 -6.647
80 HD12 ILE 10 HD12 ILE 10 1.702 1.838 -6.356
81 HD13 ILE 10 HD13 ILE 10 2.283 3.462 -6.727
82 H1A 2AG 11 HD PRG 11 0.639 2.864 1.918
83 HB2 2AG 11 HB2 PRG 11 -1.970 2.623 1.837
84 HB3 2AG 11 HB3 PRG 11 -2.690 1.026 1.837
85 HA 2AG 11 HA PRG 11 -2.230 0.800 -0.557
86 H 2AG 11 H PRG 11 -1.198 3.520 -0.730
87 H PHE 12 H PHE 12 -4.287 0.546 -0.357
88 HA PHE 12 HA PHE 12 -5.995 2.919 -0.534
89 HB2 PHE 12 HB2 PHE 12 -6.541 0.086 -1.492
90 HB3 PHE 12 HB3 PHE 12 -7.591 1.474 -1.717
91 HD1 PHE 12 HD1 PHE 12 -4.653 -0.280 -2.933
92 HD2 PHE 12 HD2 PHE 12 -6.958 3.282 -3.278
93 HE1 PHE 12 HE3 PHE 12 -3.527 0.238 -5.046
94 HE2 PHE 12 HE2 PHE 12 -5.835 3.802 -5.399
95 HZ PHE 12 HZ PHE 12 -4.114 2.287 -6.287
96 HA PRO 13 HA PRO 13 -6.971 1.680 3.586
97 HB2 PRO 13 HB2 PRO 13 -9.414 2.920 3.851
98 HB3 PRO 13 HB3 PRO 13 -7.857 3.741 4.004
99 HG2 PRO 13 HG2 PRO 13 -9.708 3.614 1.660
100 HG3 PRO 13 HG3 PRO 13 -8.767 4.985 2.273
101 HD2 PRO 13 HD2 PRO 13 -8.006 3.568 0.116
102 HD3 PRO 13 HD3 PRO 13 -6.823 4.264 1.238
103 H ASP 14 H ASP 14 -9.048 0.985 1.014
104 HA ASP 14 HA ASP 14 -10.540 -1.011 2.600
105 HB2 ASP 14 HB2 ASP 14 -12.228 -0.969 0.827
106 HB3 ASP 14 HB3 ASP 14 -11.947 0.652 1.455
Start of MODEL 14
1 H1 GLY 1 H GLY 1 -7.764 -0.815 -0.100
2 HA2 GLY 1 HA2 GLY 1 -7.944 -3.193 -1.750
3 HA3 GLY 1 HA3 GLY 1 -6.758 -1.978 -2.220
4 H ARG 2 H ARG 2 -4.785 -2.440 -1.520
5 HA ARG 2 HA ARG 2 -4.472 -3.573 1.181
6 HB2 ARG 2 HB2 ARG 2 -2.834 -4.275 -1.248
7 HB3 ARG 2 HB3 ARG 2 -2.724 -4.997 0.341
8 HG2 ARG 2 HG2 ARG 2 -4.839 -6.082 0.092
9 HG3 ARG 2 HG3 ARG 2 -5.164 -5.212 -1.409
10 HD2 ARG 2 HD2 ARG 2 -2.996 -7.249 -0.935
11 HD3 ARG 2 HD3 ARG 2 -4.457 -7.477 -1.895
12 HE ARG 2 HE ARG 2 -2.543 -5.382 -2.630
13 HH11 ARG 2 1HH1 ARG 2 -4.240 -8.347 -3.534
14 HH12 ARG 2 2HH1 ARG 2 -3.565 -8.411 -5.093
15 HH21 ARG 2 1HH2 ARG 2 -1.675 -5.426 -4.742
16 HH22 ARG 2 2HH2 ARG 2 -2.062 -6.688 -5.817
17 H1 RVJ 3 H AZA 3 -2.020 -3.393 1.673
18 HA RVJ 3 HA AZA 3 -1.006 -0.824 0.724
19 HB3 RVJ 3 HB3 AZA 3 -0.584 -2.067 3.450
20 HB2 RVJ 3 HB2 AZA 3 -1.669 -0.757 3.128
21 H THR 4 H THR 4 0.400 -1.291 -0.760
22 HA THR 4 HA THR 4 2.133 -3.556 -0.444
23 HB THR 4 HB THR 4 1.301 -3.001 -2.685
24 HG1 THR 4 HG3 THR 4 3.007 -3.981 -3.128
25 HG21 THR 4 HG21 THR 4 2.954 -0.476 -2.436
26 HG22 THR 4 HG22 THR 4 1.196 -0.553 -2.545
27 HG23 THR 4 HG23 THR 4 2.188 -1.040 -3.920
28 H LYS 5 H LYS 5 4.289 -3.450 -0.054
29 HA LYS 5 HA LYS 5 5.226 -0.941 1.084
30 HB2 LYS 5 HB2 LYS 5 6.322 -3.749 1.226
31 HB3 LYS 5 HB3 LYS 5 6.994 -2.354 2.065
32 HG2 LYS 5 HG2 LYS 5 5.159 -2.151 3.473
33 HG3 LYS 5 HG3 LYS 5 4.136 -3.139 2.430
34 HD2 LYS 5 HD2 LYS 5 5.461 -5.040 2.906
35 HD3 LYS 5 HD3 LYS 5 6.508 -4.115 4.004
36 HE2 LYS 5 HE2 LYS 5 4.538 -3.618 5.410
37 HE3 LYS 5 HE3 LYS 5 3.525 -4.542 4.316
38 HZ1 LYS 5 HZ1 LYS 5 4.838 -6.517 4.877
39 HZ2 LYS 5 HZ2 LYS 5 4.066 -5.871 6.198
40 HZ3 LYS 5 HZ3 LYS 5 5.720 -5.624 6.005
41 H SER 6 H SER 6 5.073 -2.035 -1.836
42 HA SER 6 HA SER 6 7.778 -1.717 -2.761
43 HB2 SER 6 HB2 SER 6 5.194 -1.505 -4.337
44 HB3 SER 6 HB3 SER 6 6.800 -1.897 -4.960
45 HG SER 6 HG SER 6 4.996 -3.439 -3.508
46 H ILE 7 H ILE 7 8.697 0.246 -2.687
47 HA ILE 7 HA ILE 7 7.187 2.499 -1.957
48 HB ILE 7 HB ILE 7 9.259 3.807 -2.073
49 HG12 ILE 7 HG12 ILE 7 10.519 1.248 -3.106
50 HG13 ILE 7 HG13 ILE 7 10.267 2.708 -4.052
51 HG21 ILE 7 HG21 ILE 7 10.484 2.536 -0.367
52 HG22 ILE 7 HG22 ILE 7 9.509 1.115 -0.743
53 HG23 ILE 7 HG23 ILE 7 8.747 2.557 -0.069
54 HD11 ILE 7 HD11 ILE 7 12.027 2.475 -1.622
55 HD12 ILE 7 HD12 ILE 7 11.811 3.919 -2.616
56 HD13 ILE 7 HD13 ILE 7 12.574 2.481 -3.297
57 HA PRO 8 HA PRO 8 7.031 4.584 -1.843
58 HB2 PRO 8 HB2 PRO 8 4.931 6.206 -2.387
59 HB3 PRO 8 HB3 PRO 8 6.594 6.671 -2.755
60 HG2 PRO 8 HG2 PRO 8 4.481 5.609 -4.577
61 HG3 PRO 8 HG3 PRO 8 5.671 6.889 -4.865
62 HD2 PRO 8 HD2 PRO 8 5.939 4.324 -5.784
63 HD3 PRO 8 HD3 PRO 8 7.310 5.396 -5.449
64 HA PRO 9 HA PRO 9 3.942 1.582 -0.929
65 HB2 PRO 9 HB2 PRO 9 3.525 2.026 1.684
66 HB3 PRO 9 HB3 PRO 9 5.035 1.334 1.074
67 HG2 PRO 9 HG2 PRO 9 4.381 4.116 1.847
68 HG3 PRO 9 HG3 PRO 9 5.826 3.178 2.283
69 HD2 PRO 9 HD2 PRO 9 5.862 4.988 0.229
70 HD3 PRO 9 HD3 PRO 9 6.839 3.507 0.199
71 H ILE 10 H ILE 10 2.071 1.865 -1.777
72 HA ILE 10 HA ILE 10 0.419 4.115 -0.910
73 HB ILE 10 HB ILE 10 -0.043 2.268 -3.286
74 HG12 ILE 10 HG12 ILE 10 1.064 5.093 -3.258
75 HG13 ILE 10 HG13 ILE 10 2.017 3.644 -3.545
76 HG21 ILE 10 HG21 ILE 10 -1.673 3.974 -3.971
77 HG22 ILE 10 HG22 ILE 10 -1.303 4.913 -2.528
78 HG23 ILE 10 HG23 ILE 10 -2.073 3.332 -2.376
79 HD11 ILE 10 HD11 ILE 10 0.732 3.206 -5.575
80 HD12 ILE 10 HD12 ILE 10 1.494 4.796 -5.617
81 HD13 ILE 10 HD13 ILE 10 -0.230 4.654 -5.276
82 H1A 2AG 11 HD PRG 11 1.209 2.960 2.871
83 HB2 2AG 11 HB2 PRG 11 -1.525 2.788 3.056
84 HB3 2AG 11 HB3 PRG 11 -2.241 1.190 3.190
85 HA 2AG 11 HA PRG 11 -1.825 0.873 0.749
86 H 2AG 11 H PRG 11 -0.910 3.617 0.662
87 H PHE 12 H PHE 12 -3.543 0.693 -0.240
88 HA PHE 12 HA PHE 12 -5.582 2.736 -0.325
89 HB2 PHE 12 HB2 PHE 12 -5.675 -0.107 -1.357
90 HB3 PHE 12 HB3 PHE 12 -6.733 1.210 -1.809
91 HD1 PHE 12 HD1 PHE 12 -3.515 -0.406 -2.331
92 HD2 PHE 12 HD2 PHE 12 -5.948 2.927 -3.371
93 HE1 PHE 12 HE3 PHE 12 -2.102 0.005 -4.290
94 HE2 PHE 12 HE2 PHE 12 -4.532 3.355 -5.322
95 HZ PHE 12 HZ PHE 12 -2.603 1.889 -5.794
96 HA PRO 13 HA PRO 13 -7.615 0.591 3.158
97 HB2 PRO 13 HB2 PRO 13 -9.791 2.219 3.309
98 HB3 PRO 13 HB3 PRO 13 -8.227 2.638 4.006
99 HG2 PRO 13 HG2 PRO 13 -9.460 3.569 1.448
100 HG3 PRO 13 HG3 PRO 13 -8.505 4.480 2.628
101 HD2 PRO 13 HD2 PRO 13 -7.509 3.508 0.281
102 HD3 PRO 13 HD3 PRO 13 -6.514 3.793 1.723
103 H ASP 14 H ASP 14 -8.631 1.340 0.065
104 HA ASP 14 HA ASP 14 -10.971 -0.407 -0.002
105 HB2 ASP 14 HB2 ASP 14 -11.226 0.437 -2.297
106 HB3 ASP 14 HB3 ASP 14 -11.120 1.752 -1.133
Start of MODEL 15
1 H1 GLY 1 H GLY 1 -7.682 -1.081 0.924
2 HA2 GLY 1 HA2 GLY 1 -6.934 -2.825 2.365
3 HA3 GLY 1 HA3 GLY 1 -8.023 -3.929 1.526
4 H ARG 2 H ARG 2 -5.713 -1.623 0.238
5 HA ARG 2 HA ARG 2 -4.111 -3.828 -0.811
6 HB2 ARG 2 HB2 ARG 2 -5.188 -1.529 -2.416
7 HB3 ARG 2 HB3 ARG 2 -3.918 -2.592 -2.970
8 HG2 ARG 2 HG2 ARG 2 -6.693 -3.562 -2.283
9 HG3 ARG 2 HG3 ARG 2 -6.210 -3.062 -3.901
10 HD2 ARG 2 HD2 ARG 2 -6.065 -5.465 -3.762
11 HD3 ARG 2 HD3 ARG 2 -4.438 -4.807 -3.858
12 HE ARG 2 HE ARG 2 -5.352 -5.277 -1.178
13 HH11 ARG 2 1HH1 ARG 2 -3.885 -6.840 -3.994
14 HH12 ARG 2 2HH1 ARG 2 -3.095 -8.047 -3.104
15 HH21 ARG 2 1HH2 ARG 2 -4.268 -6.920 0.062
16 HH22 ARG 2 2HH2 ARG 2 -3.304 -8.083 -0.726
17 H1 RVJ 3 H AZA 3 -2.352 -3.420 0.236
18 HA RVJ 3 HA AZA 3 -1.086 -0.813 -0.122
19 HB3 RVJ 3 HB3 AZA 3 -0.859 -2.452 2.409
20 HB2 RVJ 3 HB2 AZA 3 -1.937 -1.106 2.255
21 H THR 4 H THR 4 0.910 -0.917 -0.866
22 HA THR 4 HA THR 4 2.008 -3.582 -1.170
23 HB THR 4 HB THR 4 1.606 -2.460 -3.286
24 HG1 THR 4 HG3 THR 4 3.392 -3.744 -3.342
25 HG21 THR 4 HG21 THR 4 3.476 -0.295 -2.288
26 HG22 THR 4 HG22 THR 4 1.741 -0.117 -2.549
27 HG23 THR 4 HG23 THR 4 2.813 -0.400 -3.920
28 H LYS 5 H LYS 5 4.210 -3.963 -0.723
29 HA LYS 5 HA LYS 5 5.393 -2.195 1.225
30 HB2 LYS 5 HB2 LYS 5 7.008 -4.037 1.522
31 HB3 LYS 5 HB3 LYS 5 5.343 -4.584 1.671
32 HG2 LYS 5 HG2 LYS 5 5.523 -5.251 -0.773
33 HG3 LYS 5 HG3 LYS 5 7.262 -5.035 -0.573
34 HD2 LYS 5 HD2 LYS 5 7.201 -6.635 1.310
35 HD3 LYS 5 HD3 LYS 5 5.466 -6.817 0.994
36 HE2 LYS 5 HE2 LYS 5 6.744 -8.661 -0.018
37 HE3 LYS 5 HE3 LYS 5 5.916 -7.676 -1.223
38 HZ1 LYS 5 HZ1 LYS 5 8.167 -8.202 -1.902
39 HZ2 LYS 5 HZ2 LYS 5 8.785 -7.513 -0.514
40 HZ3 LYS 5 HZ3 LYS 5 8.035 -6.537 -1.656
41 H SER 6 H SER 6 5.245 -2.163 -1.920
42 HA SER 6 HA SER 6 7.928 -1.649 -2.742
43 HB2 SER 6 HB2 SER 6 6.198 -2.353 -4.323
44 HB3 SER 6 HB3 SER 6 5.231 -0.938 -3.916
45 HG SER 6 HG SER 6 6.154 -0.390 -5.687
46 H ILE 7 H ILE 7 8.760 0.467 -3.142
47 HA ILE 7 HA ILE 7 7.369 2.516 -1.600
48 HB ILE 7 HB ILE 7 9.583 3.614 -1.166
49 HG12 ILE 7 HG12 ILE 7 10.732 0.993 -2.170
50 HG13 ILE 7 HG13 ILE 7 10.857 2.541 -2.998
51 HG21 ILE 7 HG21 ILE 7 8.516 2.308 0.565
52 HG22 ILE 7 HG22 ILE 7 10.263 2.080 0.636
53 HG23 ILE 7 HG23 ILE 7 9.240 0.831 -0.070
54 HD11 ILE 7 HD11 ILE 7 12.921 1.979 -1.835
55 HD12 ILE 7 HD12 ILE 7 12.043 1.871 -0.310
56 HD13 ILE 7 HD13 ILE 7 12.180 3.422 -1.140
57 HA PRO 8 HA PRO 8 7.225 4.682 -1.304
58 HB2 PRO 8 HB2 PRO 8 5.131 6.130 -2.733
59 HB3 PRO 8 HB3 PRO 8 6.430 6.777 -1.729
60 HG2 PRO 8 HG2 PRO 8 6.355 7.125 -4.406
61 HG3 PRO 8 HG3 PRO 8 7.873 6.982 -3.504
62 HD2 PRO 8 HD2 PRO 8 6.426 4.911 -5.108
63 HD3 PRO 8 HD3 PRO 8 8.161 5.292 -5.064
64 HA PRO 9 HA PRO 9 3.870 1.789 -1.256
65 HB2 PRO 9 HB2 PRO 9 3.321 1.751 1.334
66 HB3 PRO 9 HB3 PRO 9 4.854 1.135 0.702
67 HG2 PRO 9 HG2 PRO 9 4.234 3.717 2.024
68 HG3 PRO 9 HG3 PRO 9 5.652 2.676 2.256
69 HD2 PRO 9 HD2 PRO 9 5.615 4.927 0.620
70 HD3 PRO 9 HD3 PRO 9 6.758 3.578 0.454
71 H ILE 10 H ILE 10 2.058 2.363 -2.108
72 HA ILE 10 HA ILE 10 0.453 4.438 -0.797
73 HB ILE 10 HB ILE 10 -0.018 3.236 -3.543
74 HG12 ILE 10 HG12 ILE 10 1.183 5.922 -2.822
75 HG13 ILE 10 HG13 ILE 10 2.066 4.565 -3.514
76 HG21 ILE 10 HG21 ILE 10 -1.577 5.122 -3.806
77 HG22 ILE 10 HG22 ILE 10 -1.227 5.629 -2.153
78 HG23 ILE 10 HG23 ILE 10 -2.028 4.086 -2.450
79 HD11 ILE 10 HD11 ILE 10 0.713 4.705 -5.533
80 HD12 ILE 10 HD12 ILE 10 1.512 6.245 -5.207
81 HD13 ILE 10 HD13 ILE 10 -0.197 6.040 -4.838
82 H1A 2AG 11 HD PRG 11 0.962 2.595 2.468
83 HB2 2AG 11 HB2 PRG 11 -1.789 2.381 2.665
84 HB3 2AG 11 HB3 PRG 11 -2.506 0.800 2.407
85 HA 2AG 11 HA PRG 11 -2.055 0.995 -0.007
86 H 2AG 11 H PRG 11 -0.925 3.600 0.590
87 H PHE 12 H PHE 12 -4.028 0.927 -0.526
88 HA PHE 12 HA PHE 12 -5.685 3.318 -0.249
89 HB2 PHE 12 HB2 PHE 12 -6.109 0.819 -1.908
90 HB3 PHE 12 HB3 PHE 12 -7.173 2.217 -1.896
91 HD1 PHE 12 HD1 PHE 12 -6.172 4.458 -2.614
92 HD2 PHE 12 HD2 PHE 12 -4.318 0.705 -3.382
93 HE1 PHE 12 HE3 PHE 12 -4.844 5.482 -4.408
94 HE2 PHE 12 HE2 PHE 12 -2.990 1.728 -5.173
95 HZ PHE 12 HZ PHE 12 -3.248 4.120 -5.686
96 HA PRO 13 HA PRO 13 -8.156 1.515 2.981
97 HB2 PRO 13 HB2 PRO 13 -10.557 2.717 2.456
98 HB3 PRO 13 HB3 PRO 13 -9.202 3.552 3.221
99 HG2 PRO 13 HG2 PRO 13 -10.057 3.575 0.348
100 HG3 PRO 13 HG3 PRO 13 -9.561 4.932 1.375
101 HD2 PRO 13 HD2 PRO 13 -7.882 3.836 -0.397
102 HD3 PRO 13 HD3 PRO 13 -7.308 4.420 1.180
103 H ASP 14 H ASP 14 -8.556 0.830 -0.222
104 HA ASP 14 HA ASP 14 -10.868 -0.877 -0.174
105 HB2 ASP 14 HB2 ASP 14 -10.005 0.053 -2.296
106 HB3 ASP 14 HB3 ASP 14 -8.496 -0.818 -2.073
Start of MODEL 16
1 H1 GLY 1 H GLY 1 -7.845 -0.981 0.491
2 HA2 GLY 1 HA2 GLY 1 -8.582 -3.740 0.180
3 HA3 GLY 1 HA3 GLY 1 -8.165 -2.916 -1.308
4 H ARG 2 H ARG 2 -6.023 -2.433 -1.724
5 HA ARG 2 HA ARG 2 -4.253 -4.118 -0.110
6 HB2 ARG 2 HB2 ARG 2 -3.907 -3.234 -2.966
7 HB3 ARG 2 HB3 ARG 2 -2.809 -4.270 -2.076
8 HG2 ARG 2 HG2 ARG 2 -4.644 -5.931 -1.856
9 HG3 ARG 2 HG3 ARG 2 -5.639 -4.896 -2.882
10 HD2 ARG 2 HD2 ARG 2 -3.010 -6.176 -3.635
11 HD3 ARG 2 HD3 ARG 2 -4.607 -6.652 -4.207
12 HE ARG 2 HE ARG 2 -4.375 -4.021 -4.887
13 HH11 ARG 2 1HH1 ARG 2 -2.488 -6.916 -5.578
14 HH12 ARG 2 2HH1 ARG 2 -1.948 -6.406 -7.107
15 HH21 ARG 2 1HH2 ARG 2 -3.605 -3.272 -6.999
16 HH22 ARG 2 2HH2 ARG 2 -2.612 -4.292 -7.939
17 H1 RVJ 3 H AZA 3 -2.218 -3.545 0.348
18 HA RVJ 3 HA AZA 3 -1.256 -0.890 -0.280
19 HB3 RVJ 3 HB3 AZA 3 -1.094 -2.115 2.490
20 HB2 RVJ 3 HB2 AZA 3 -2.107 -0.772 2.082
21 H THR 4 H THR 4 0.367 -1.267 -1.489
22 HA THR 4 HA THR 4 1.796 -3.749 -1.352
23 HB THR 4 HB THR 4 2.429 -1.343 -3.024
24 HG1 THR 4 HG3 THR 4 0.490 -3.402 -3.537
25 HG21 THR 4 HG21 THR 4 3.999 -3.235 -3.112
26 HG22 THR 4 HG22 THR 4 3.156 -3.056 -4.650
27 HG23 THR 4 HG23 THR 4 2.674 -4.322 -3.523
28 H LYS 5 H LYS 5 3.707 -3.982 -0.304
29 HA LYS 5 HA LYS 5 4.818 -1.641 0.971
30 HB2 LYS 5 HB2 LYS 5 5.562 -4.547 1.438
31 HB3 LYS 5 HB3 LYS 5 6.284 -3.186 2.263
32 HG2 LYS 5 HG2 LYS 5 4.756 -3.921 3.835
33 HG3 LYS 5 HG3 LYS 5 3.846 -2.656 3.019
34 HD2 LYS 5 HD2 LYS 5 2.388 -4.530 3.299
35 HD3 LYS 5 HD3 LYS 5 2.817 -4.460 1.588
36 HE2 LYS 5 HE2 LYS 5 4.536 -6.191 1.962
37 HE3 LYS 5 HE3 LYS 5 4.097 -6.243 3.662
38 HZ1 LYS 5 HZ1 LYS 5 2.313 -6.992 1.399
39 HZ2 LYS 5 HZ2 LYS 5 1.917 -7.068 3.042
40 HZ3 LYS 5 HZ3 LYS 5 3.131 -8.045 2.429
41 H SER 6 H SER 6 5.414 -0.829 -0.932
42 HA SER 6 HA SER 6 8.164 -1.351 -1.569
43 HB2 SER 6 HB2 SER 6 5.992 -1.169 -3.705
44 HB3 SER 6 HB3 SER 6 7.729 -1.329 -3.986
45 HG SER 6 HG SER 6 7.068 -3.262 -2.391
46 H ILE 7 H ILE 7 9.081 0.689 -1.964
47 HA ILE 7 HA ILE 7 7.185 2.812 -1.343
48 HB ILE 7 HB ILE 7 9.096 4.091 -0.458
49 HG12 ILE 7 HG12 ILE 7 10.675 1.573 -1.051
50 HG13 ILE 7 HG13 ILE 7 10.848 3.099 -1.904
51 HG21 ILE 7 HG21 ILE 7 7.785 2.682 1.037
52 HG22 ILE 7 HG22 ILE 7 9.484 2.628 1.521
53 HG23 ILE 7 HG23 ILE 7 8.771 1.289 0.619
54 HD11 ILE 7 HD11 ILE 7 12.638 2.753 -0.288
55 HD12 ILE 7 HD12 ILE 7 11.449 2.636 1.012
56 HD13 ILE 7 HD13 ILE 7 11.656 4.152 0.138
57 HA PRO 8 HA PRO 8 7.262 5.176 -1.241
58 HB2 PRO 8 HB2 PRO 8 5.589 6.431 -3.347
59 HB3 PRO 8 HB3 PRO 8 6.514 7.207 -2.059
60 HG2 PRO 8 HG2 PRO 8 7.323 7.348 -4.591
61 HG3 PRO 8 HG3 PRO 8 8.491 7.144 -3.273
62 HD2 PRO 8 HD2 PRO 8 7.381 5.071 -5.141
63 HD3 PRO 8 HD3 PRO 8 9.060 5.334 -4.628
64 HA PRO 9 HA PRO 9 4.224 2.023 -1.212
65 HB2 PRO 9 HB2 PRO 9 3.026 2.527 1.149
66 HB3 PRO 9 HB3 PRO 9 4.664 1.882 1.021
67 HG2 PRO 9 HG2 PRO 9 3.765 4.676 1.546
68 HG3 PRO 9 HG3 PRO 9 5.101 3.774 2.280
69 HD2 PRO 9 HD2 PRO 9 5.403 5.611 0.274
70 HD3 PRO 9 HD3 PRO 9 6.534 4.273 0.562
71 H ILE 10 H ILE 10 2.426 1.736 -2.211
72 HA ILE 10 HA ILE 10 0.425 3.877 -2.319
73 HB ILE 10 HB ILE 10 0.717 1.406 -4.064
74 HG12 ILE 10 HG12 ILE 10 1.353 4.275 -4.729
75 HG13 ILE 10 HG13 ILE 10 2.567 3.064 -4.337
76 HG21 ILE 10 HG21 ILE 10 -0.922 2.512 -5.524
77 HG22 ILE 10 HG22 ILE 10 -1.048 3.839 -4.374
78 HG23 ILE 10 HG23 ILE 10 -1.589 2.223 -3.915
79 HD11 ILE 10 HD11 ILE 10 0.684 3.016 -6.681
80 HD12 ILE 10 HD12 ILE 10 1.889 1.782 -6.303
81 HD13 ILE 10 HD13 ILE 10 2.403 3.417 -6.723
82 H1A 2AG 11 HD PRG 11 0.869 2.830 1.852
83 HB2 2AG 11 HB2 PRG 11 -1.757 2.769 1.835
84 HB3 2AG 11 HB3 PRG 11 -2.571 1.222 1.913
85 HA 2AG 11 HA PRG 11 -2.056 0.840 -0.463
86 H 2AG 11 H PRG 11 -0.990 3.540 -0.652
87 H PHE 12 H PHE 12 -4.081 0.559 -0.357
88 HA PHE 12 HA PHE 12 -5.830 2.883 -0.358
89 HB2 PHE 12 HB2 PHE 12 -6.298 0.134 -1.553
90 HB3 PHE 12 HB3 PHE 12 -7.403 1.494 -1.589
91 HD1 PHE 12 HD1 PHE 12 -7.018 3.397 -3.059
92 HD2 PHE 12 HD2 PHE 12 -4.371 0.070 -3.047
93 HE1 PHE 12 HE3 PHE 12 -6.034 4.179 -5.165
94 HE2 PHE 12 HE2 PHE 12 -3.378 0.854 -5.157
95 HZ PHE 12 HZ PHE 12 -4.208 2.908 -6.216
96 HA PRO 13 HA PRO 13 -6.758 0.928 3.585
97 HB2 PRO 13 HB2 PRO 13 -9.103 2.712 3.574
98 HB3 PRO 13 HB3 PRO 13 -7.791 2.616 4.752
99 HG2 PRO 13 HG2 PRO 13 -8.019 4.691 3.057
100 HG3 PRO 13 HG3 PRO 13 -6.441 4.059 3.558
101 HD2 PRO 13 HD2 PRO 13 -7.909 3.646 0.978
102 HD3 PRO 13 HD3 PRO 13 -6.174 3.883 1.285
103 H ASP 14 H ASP 14 -8.773 1.280 0.899
104 HA ASP 14 HA ASP 14 -10.962 -0.361 1.820
105 HB2 ASP 14 HB2 ASP 14 -10.287 0.626 -0.953
106 HB3 ASP 14 HB3 ASP 14 -11.746 -0.253 -0.535
Start of MODEL 17
1 H1 GLY 1 H GLY 1 -7.837 -0.728 0.181
2 HA2 GLY 1 HA2 GLY 1 -7.985 -3.088 -1.543
3 HA3 GLY 1 HA3 GLY 1 -7.038 -1.693 -2.032
4 H ARG 2 H ARG 2 -4.994 -2.287 -1.887
5 HA ARG 2 HA ARG 2 -4.141 -3.788 0.495
6 HB2 ARG 2 HB2 ARG 2 -2.833 -3.631 -2.213
7 HB3 ARG 2 HB3 ARG 2 -2.350 -4.648 -0.871
8 HG2 ARG 2 HG2 ARG 2 -4.402 -5.925 -1.076
9 HG3 ARG 2 HG3 ARG 2 -4.939 -4.873 -2.387
10 HD2 ARG 2 HD2 ARG 2 -2.502 -6.647 -2.389
11 HD3 ARG 2 HD3 ARG 2 -4.001 -6.909 -3.280
12 HE ARG 2 HE ARG 2 -3.298 -4.544 -4.216
13 HH11 ARG 2 1HH1 ARG 2 -1.324 -7.442 -3.756
14 HH12 ARG 2 2HH1 ARG 2 -0.288 -7.150 -5.061
15 HH21 ARG 2 1HH2 ARG 2 -1.848 -4.100 -6.008
16 HH22 ARG 2 2HH2 ARG 2 -0.592 -5.190 -6.385
17 H1 RVJ 3 H AZA 3 -1.909 -3.352 1.094
18 HA RVJ 3 HA AZA 3 -0.928 -0.726 0.331
19 HB3 RVJ 3 HB3 AZA 3 -0.607 -2.009 3.060
20 HB2 RVJ 3 HB2 AZA 3 -1.797 -0.798 2.722
21 H THR 4 H THR 4 0.826 -0.950 -0.782
22 HA THR 4 HA THR 4 2.041 -3.540 -0.845
23 HB THR 4 HB THR 4 1.621 -2.423 -2.978
24 HG1 THR 4 HG3 THR 4 3.300 -3.728 -3.260
25 HG21 THR 4 HG21 THR 4 2.925 -0.441 -3.660
26 HG22 THR 4 HG22 THR 4 3.614 -0.349 -2.040
27 HG23 THR 4 HG23 THR 4 1.886 -0.089 -2.278
28 H LYS 5 H LYS 5 4.306 -3.886 -0.711
29 HA LYS 5 HA LYS 5 5.577 -2.372 1.432
30 HB2 LYS 5 HB2 LYS 5 6.609 -4.835 0.014
31 HB3 LYS 5 HB3 LYS 5 7.160 -4.200 1.553
32 HG2 LYS 5 HG2 LYS 5 4.456 -5.413 1.012
33 HG3 LYS 5 HG3 LYS 5 5.800 -6.210 1.826
34 HD2 LYS 5 HD2 LYS 5 5.683 -4.527 3.612
35 HD3 LYS 5 HD3 LYS 5 4.347 -3.748 2.753
36 HE2 LYS 5 HE2 LYS 5 2.980 -5.739 2.999
37 HE3 LYS 5 HE3 LYS 5 4.315 -6.586 3.772
38 HZ1 LYS 5 HZ1 LYS 5 4.219 -5.025 5.593
39 HZ2 LYS 5 HZ2 LYS 5 2.710 -5.751 5.395
40 HZ3 LYS 5 HZ3 LYS 5 2.963 -4.180 4.870
41 H SER 6 H SER 6 5.376 -2.269 -1.756
42 HA SER 6 HA SER 6 8.102 -1.634 -2.481
43 HB2 SER 6 HB2 SER 6 6.484 -2.721 -4.067
44 HB3 SER 6 HB3 SER 6 5.529 -1.237 -4.023
45 HG SER 6 HG SER 6 7.551 -1.858 -5.577
46 H ILE 7 H ILE 7 8.799 0.454 -2.994
47 HA ILE 7 HA ILE 7 7.219 2.560 -1.718
48 HB ILE 7 HB ILE 7 9.392 3.856 -1.622
49 HG12 ILE 7 HG12 ILE 7 10.606 1.149 -2.246
50 HG13 ILE 7 HG13 ILE 7 10.623 2.535 -3.323
51 HG21 ILE 7 HG21 ILE 7 8.473 2.837 0.353
52 HG22 ILE 7 HG22 ILE 7 10.226 2.651 0.358
53 HG23 ILE 7 HG23 ILE 7 9.196 1.288 -0.078
54 HD11 ILE 7 HD11 ILE 7 11.995 3.758 -1.709
55 HD12 ILE 7 HD12 ILE 7 12.761 2.250 -2.210
56 HD13 ILE 7 HD13 ILE 7 11.971 2.360 -0.635
57 HA PRO 8 HA PRO 8 7.055 4.741 -1.604
58 HB2 PRO 8 HB2 PRO 8 5.011 6.314 -2.474
59 HB3 PRO 8 HB3 PRO 8 6.698 6.828 -2.555
60 HG2 PRO 8 HG2 PRO 8 4.954 5.717 -4.703
61 HG3 PRO 8 HG3 PRO 8 6.133 7.038 -4.785
62 HD2 PRO 8 HD2 PRO 8 6.643 4.516 -5.673
63 HD3 PRO 8 HD3 PRO 8 7.901 5.602 -5.059
64 HA PRO 9 HA PRO 9 3.831 1.764 -1.248
65 HB2 PRO 9 HB2 PRO 9 3.232 1.969 1.339
66 HB3 PRO 9 HB3 PRO 9 4.807 1.360 0.816
67 HG2 PRO 9 HG2 PRO 9 4.027 4.054 1.779
68 HG3 PRO 9 HG3 PRO 9 5.464 3.108 2.221
69 HD2 PRO 9 HD2 PRO 9 5.517 5.117 0.323
70 HD3 PRO 9 HD3 PRO 9 6.624 3.730 0.309
71 H ILE 10 H ILE 10 1.892 2.028 -2.025
72 HA ILE 10 HA ILE 10 0.301 4.205 -0.944
73 HB ILE 10 HB ILE 10 0.621 4.425 -3.394
74 HG12 ILE 10 HG12 ILE 10 -2.226 3.623 -2.754
75 HG13 ILE 10 HG13 ILE 10 -1.507 5.170 -2.328
76 HG21 ILE 10 HG21 ILE 10 0.968 2.122 -4.005
77 HG22 ILE 10 HG22 ILE 10 -0.356 2.808 -4.955
78 HG23 ILE 10 HG23 ILE 10 -0.705 1.737 -3.599
79 HD11 ILE 10 HD11 ILE 10 -1.916 4.113 -5.119
80 HD12 ILE 10 HD12 ILE 10 -1.193 5.666 -4.704
81 HD13 ILE 10 HD13 ILE 10 -2.885 5.351 -4.319
82 H1A 2AG 11 HD PRG 11 0.724 3.169 2.536
83 HB2 2AG 11 HB2 PRG 11 -1.992 2.725 2.656
84 HB3 2AG 11 HB3 PRG 11 -2.561 1.068 2.672
85 HA 2AG 11 HA PRG 11 -2.136 0.896 0.255
86 H 2AG 11 H PRG 11 -1.306 3.677 0.306
87 H PHE 12 H PHE 12 -4.029 0.705 -0.468
88 HA PHE 12 HA PHE 12 -5.896 2.932 -0.423
89 HB2 PHE 12 HB2 PHE 12 -6.234 0.127 -1.508
90 HB3 PHE 12 HB3 PHE 12 -7.306 1.485 -1.798
91 HD1 PHE 12 HD1 PHE 12 -4.244 -0.188 -2.778
92 HD2 PHE 12 HD2 PHE 12 -6.569 3.349 -3.243
93 HE1 PHE 12 HE3 PHE 12 -2.987 0.371 -4.806
94 HE2 PHE 12 HE2 PHE 12 -5.315 3.909 -5.263
95 HZ PHE 12 HZ PHE 12 -3.519 2.423 -6.055
96 HA PRO 13 HA PRO 13 -7.587 1.377 3.395
97 HB2 PRO 13 HB2 PRO 13 -10.067 2.563 3.237
98 HB3 PRO 13 HB3 PRO 13 -8.609 3.402 3.774
99 HG2 PRO 13 HG2 PRO 13 -9.933 3.435 1.095
100 HG3 PRO 13 HG3 PRO 13 -9.183 4.768 1.990
101 HD2 PRO 13 HD2 PRO 13 -7.949 3.529 -0.063
102 HD3 PRO 13 HD3 PRO 13 -7.046 4.169 1.325
103 H ASP 14 H ASP 14 -9.170 1.122 0.417
104 HA ASP 14 HA ASP 14 -10.857 -1.126 1.283
105 HB2 ASP 14 HB2 ASP 14 -12.035 -0.778 -0.855
106 HB3 ASP 14 HB3 ASP 14 -12.008 0.690 0.118
Start of MODEL 18
1 H1 GLY 1 H GLY 1 -7.910 -1.043 0.593
2 HA2 GLY 1 HA2 GLY 1 -8.329 -3.486 -0.900
3 HA3 GLY 1 HA3 GLY 1 -7.440 -2.203 -1.712
4 H ARG 2 H ARG 2 -5.466 -3.053 -1.781
5 HA ARG 2 HA ARG 2 -4.317 -4.326 0.594
6 HB2 ARG 2 HB2 ARG 2 -2.670 -5.217 -0.858
7 HB3 ARG 2 HB3 ARG 2 -4.169 -5.301 -1.777
8 HG2 ARG 2 HG2 ARG 2 -3.546 -3.247 -2.981
9 HG3 ARG 2 HG3 ARG 2 -2.057 -3.164 -2.054
10 HD2 ARG 2 HD2 ARG 2 -1.500 -5.443 -3.012
11 HD3 ARG 2 HD3 ARG 2 -2.869 -5.193 -4.103
12 HE ARG 2 HE ARG 2 -0.901 -3.069 -4.014
13 HH11 ARG 2 1HH1 ARG 2 -2.043 -5.929 -5.818
14 HH12 ARG 2 2HH1 ARG 2 -1.142 -5.520 -7.209
15 HH21 ARG 2 1HH2 ARG 2 0.279 -2.566 -5.927
16 HH22 ARG 2 2HH2 ARG 2 0.182 -3.601 -7.274
17 H1 RVJ 3 H AZA 3 -2.037 -3.719 1.098
18 HA RVJ 3 HA AZA 3 -1.447 -0.981 0.313
19 HB3 RVJ 3 HB3 AZA 3 -0.449 -2.438 2.756
20 HB2 RVJ 3 HB2 AZA 3 -1.622 -1.172 2.782
21 H THR 4 H THR 4 -0.066 -0.820 -1.234
22 HA THR 4 HA THR 4 1.717 -3.000 -1.836
23 HB THR 4 HB THR 4 1.721 -0.249 -2.965
24 HG1 THR 4 HG3 THR 4 -0.310 -0.649 -3.532
25 HG21 THR 4 HG21 THR 4 2.321 -2.937 -4.217
26 HG22 THR 4 HG22 THR 4 3.499 -1.712 -3.734
27 HG23 THR 4 HG23 THR 4 2.394 -1.393 -5.067
28 H LYS 5 H LYS 5 3.435 -3.116 -0.663
29 HA LYS 5 HA LYS 5 4.209 -0.993 1.128
30 HB2 LYS 5 HB2 LYS 5 5.095 -3.841 0.866
31 HB3 LYS 5 HB3 LYS 5 5.578 -2.751 2.157
32 HG2 LYS 5 HG2 LYS 5 3.399 -2.662 3.042
33 HG3 LYS 5 HG3 LYS 5 2.703 -3.367 1.583
34 HD2 LYS 5 HD2 LYS 5 3.735 -5.434 2.001
35 HD3 LYS 5 HD3 LYS 5 4.635 -4.805 3.382
36 HE2 LYS 5 HE2 LYS 5 1.625 -4.984 3.187
37 HE3 LYS 5 HE3 LYS 5 2.647 -6.144 4.029
38 HZ1 LYS 5 HZ1 LYS 5 3.373 -4.343 5.509
39 HZ2 LYS 5 HZ2 LYS 5 1.700 -4.540 5.560
40 HZ3 LYS 5 HZ3 LYS 5 2.345 -3.258 4.734
41 H SER 6 H SER 6 5.132 -1.918 -1.808
42 HA SER 6 HA SER 6 7.956 -1.573 -1.530
43 HB2 SER 6 HB2 SER 6 6.812 -2.866 -3.424
44 HB3 SER 6 HB3 SER 6 6.445 -1.266 -4.102
45 HG SER 6 HG SER 6 9.002 -2.256 -3.464
46 H ILE 7 H ILE 7 9.055 0.216 -1.723
47 HA ILE 7 HA ILE 7 7.585 2.656 -1.299
48 HB ILE 7 HB ILE 7 9.753 3.712 -0.785
49 HG12 ILE 7 HG12 ILE 7 10.960 0.992 -1.373
50 HG13 ILE 7 HG13 ILE 7 11.132 2.403 -2.407
51 HG21 ILE 7 HG21 ILE 7 9.298 1.055 0.564
52 HG22 ILE 7 HG22 ILE 7 8.545 2.587 0.996
53 HG23 ILE 7 HG23 ILE 7 10.281 2.364 1.214
54 HD11 ILE 7 HD11 ILE 7 12.337 3.551 -0.623
55 HD12 ILE 7 HD12 ILE 7 13.116 2.022 -1.044
56 HD13 ILE 7 HD13 ILE 7 12.131 2.144 0.416
57 HA PRO 8 HA PRO 8 7.544 4.818 -1.383
58 HB2 PRO 8 HB2 PRO 8 5.831 6.440 -2.773
59 HB3 PRO 8 HB3 PRO 8 7.524 6.859 -2.498
60 HG2 PRO 8 HG2 PRO 8 6.233 5.686 -4.920
61 HG3 PRO 8 HG3 PRO 8 7.483 6.939 -4.814
62 HD2 PRO 8 HD2 PRO 8 8.039 4.357 -5.435
63 HD3 PRO 8 HD3 PRO 8 9.173 5.397 -4.550
64 HA PRO 9 HA PRO 9 4.318 1.835 -1.503
65 HB2 PRO 9 HB2 PRO 9 3.319 2.106 0.965
66 HB3 PRO 9 HB3 PRO 9 4.926 1.430 0.682
67 HG2 PRO 9 HG2 PRO 9 4.132 4.166 1.514
68 HG3 PRO 9 HG3 PRO 9 5.449 3.155 2.134
69 HD2 PRO 9 HD2 PRO 9 5.844 5.155 0.296
70 HD3 PRO 9 HD3 PRO 9 6.876 3.714 0.406
71 H ILE 10 H ILE 10 2.184 1.645 -1.778
72 HA ILE 10 HA ILE 10 0.524 4.001 -1.478
73 HB ILE 10 HB ILE 10 1.098 4.095 -3.816
74 HG12 ILE 10 HG12 ILE 10 -1.103 3.766 -4.956
75 HG13 ILE 10 HG13 ILE 10 -1.675 2.919 -3.526
76 HG21 ILE 10 HG21 ILE 10 0.317 1.213 -4.081
77 HG22 ILE 10 HG22 ILE 10 1.938 1.891 -4.204
78 HG23 ILE 10 HG23 ILE 10 0.720 2.287 -5.419
79 HD11 ILE 10 HD11 ILE 10 -2.457 5.221 -3.588
80 HD12 ILE 10 HD12 ILE 10 -0.789 5.794 -3.632
81 HD13 ILE 10 HD13 ILE 10 -1.395 4.949 -2.207
82 H1A 2AG 11 HD PRG 11 0.969 2.741 1.972
83 HB2 2AG 11 HB2 PRG 11 -1.769 2.380 2.279
84 HB3 2AG 11 HB3 PRG 11 -2.373 0.738 2.171
85 HA 2AG 11 HA PRG 11 -1.910 0.699 -0.232
86 H 2AG 11 H PRG 11 -0.921 3.421 -0.061
87 H PHE 12 H PHE 12 -3.984 0.294 -0.066
88 HA PHE 12 HA PHE 12 -5.761 2.582 -0.413
89 HB2 PHE 12 HB2 PHE 12 -6.122 -0.305 -1.258
90 HB3 PHE 12 HB3 PHE 12 -7.204 1.032 -1.623
91 HD1 PHE 12 HD1 PHE 12 -4.070 -0.623 -2.466
92 HD2 PHE 12 HD2 PHE 12 -6.588 2.700 -3.285
93 HE1 PHE 12 HE3 PHE 12 -2.825 -0.201 -4.548
94 HE2 PHE 12 HE2 PHE 12 -5.364 3.129 -5.347
95 HZ PHE 12 HZ PHE 12 -3.465 1.678 -5.993
96 HA PRO 13 HA PRO 13 -7.311 1.144 3.594
97 HB2 PRO 13 HB2 PRO 13 -9.609 2.907 3.063
98 HB3 PRO 13 HB3 PRO 13 -8.423 2.992 4.368
99 HG2 PRO 13 HG2 PRO 13 -8.462 4.798 2.381
100 HG3 PRO 13 HG3 PRO 13 -6.950 4.254 3.127
101 HD2 PRO 13 HD2 PRO 13 -8.171 3.431 0.519
102 HD3 PRO 13 HD3 PRO 13 -6.477 3.790 0.922
103 H ASP 14 H ASP 14 -8.813 0.970 0.593
104 HA ASP 14 HA ASP 14 -10.890 -0.888 1.602
105 HB2 ASP 14 HB2 ASP 14 -10.890 0.509 -1.086
106 HB3 ASP 14 HB3 ASP 14 -12.195 -0.417 -0.369
Start of MODEL 19
1 H1 GLY 1 H GLY 1 -8.622 -0.364 -0.368
2 HA2 GLY 1 HA2 GLY 1 -8.407 -3.031 -1.369
3 HA3 GLY 1 HA3 GLY 1 -7.735 -1.571 -2.068
4 H ARG 2 H ARG 2 -5.905 -2.723 -2.569
5 HA ARG 2 HA ARG 2 -4.355 -4.159 -0.649
6 HB2 ARG 2 HB2 ARG 2 -2.689 -4.359 -2.457
7 HB3 ARG 2 HB3 ARG 2 -4.301 -4.841 -2.960
8 HG2 ARG 2 HG2 ARG 2 -4.597 -2.702 -4.109
9 HG3 ARG 2 HG3 ARG 2 -3.000 -2.191 -3.570
10 HD2 ARG 2 HD2 ARG 2 -3.502 -4.622 -5.281
11 HD3 ARG 2 HD3 ARG 2 -3.097 -3.037 -5.931
12 HE ARG 2 HE ARG 2 -1.077 -3.444 -4.247
13 HH11 ARG 2 1HH1 ARG 2 -2.456 -5.619 -6.671
14 HH12 ARG 2 2HH1 ARG 2 -0.992 -6.412 -7.000
15 HH21 ARG 2 1HH2 ARG 2 0.923 -4.483 -4.720
16 HH22 ARG 2 2HH2 ARG 2 0.975 -5.776 -5.845
17 H1 RVJ 3 H AZA 3 -2.130 -3.734 -0.135
18 HA RVJ 3 HA AZA 3 -1.197 -1.045 -0.455
19 HB3 RVJ 3 HB3 AZA 3 -1.260 -2.413 2.243
20 HB2 RVJ 3 HB2 AZA 3 -2.172 -1.001 1.796
21 H THR 4 H THR 4 0.448 -1.296 -1.624
22 HA THR 4 HA THR 4 2.244 -3.528 -1.140
23 HB THR 4 HB THR 4 2.489 -1.370 -3.176
24 HG1 THR 4 HG3 THR 4 0.668 -3.368 -2.878
25 HG21 THR 4 HG21 THR 4 3.401 -4.262 -3.156
26 HG22 THR 4 HG22 THR 4 4.428 -2.850 -2.915
27 HG23 THR 4 HG23 THR 4 3.669 -3.130 -4.481
28 H LYS 5 H LYS 5 3.834 -3.129 0.237
29 HA LYS 5 HA LYS 5 4.287 -0.493 1.272
30 HB2 LYS 5 HB2 LYS 5 5.480 -3.152 1.965
31 HB3 LYS 5 HB3 LYS 5 5.755 -1.661 2.855
32 HG2 LYS 5 HG2 LYS 5 3.491 -1.556 3.539
33 HG3 LYS 5 HG3 LYS 5 3.036 -2.859 2.435
34 HD2 LYS 5 HD2 LYS 5 4.371 -4.374 3.570
35 HD3 LYS 5 HD3 LYS 5 4.988 -3.153 4.700
36 HE2 LYS 5 HE2 LYS 5 2.619 -2.820 5.476
37 HE3 LYS 5 HE3 LYS 5 2.140 -4.166 4.444
38 HZ1 LYS 5 HZ1 LYS 5 2.443 -4.948 6.676
39 HZ2 LYS 5 HZ2 LYS 5 4.012 -4.318 6.752
40 HZ3 LYS 5 HZ3 LYS 5 3.660 -5.581 5.711
41 H SER 6 H SER 6 5.432 -1.934 -1.306
42 HA SER 6 HA SER 6 8.240 -1.372 -1.116
43 HB2 SER 6 HB2 SER 6 7.016 -2.988 -2.772
44 HB3 SER 6 HB3 SER 6 6.696 -1.473 -3.645
45 HG SER 6 HG SER 6 9.259 -2.403 -2.922
46 H ILE 7 H ILE 7 9.063 0.495 -1.325
47 HA ILE 7 HA ILE 7 7.389 2.800 -1.261
48 HB ILE 7 HB ILE 7 9.461 4.161 -1.025
49 HG12 ILE 7 HG12 ILE 7 10.871 1.482 -1.224
50 HG13 ILE 7 HG13 ILE 7 10.946 2.754 -2.434
51 HG21 ILE 7 HG21 ILE 7 10.122 3.206 1.153
52 HG22 ILE 7 HG22 ILE 7 9.238 1.732 0.751
53 HG23 ILE 7 HG23 ILE 7 8.373 3.253 0.943
54 HD11 ILE 7 HD11 ILE 7 12.047 4.208 -0.809
55 HD12 ILE 7 HD12 ILE 7 12.947 2.714 -1.077
56 HD13 ILE 7 HD13 ILE 7 11.980 2.913 0.386
57 HA PRO 8 HA PRO 8 6.958 4.893 -1.597
58 HB2 PRO 8 HB2 PRO 8 4.939 5.654 -3.565
59 HB3 PRO 8 HB3 PRO 8 6.002 6.696 -2.620
60 HG2 PRO 8 HG2 PRO 8 6.299 6.405 -5.281
61 HG3 PRO 8 HG3 PRO 8 7.685 6.635 -4.199
62 HD2 PRO 8 HD2 PRO 8 6.624 4.097 -5.392
63 HD3 PRO 8 HD3 PRO 8 8.305 4.661 -5.273
64 HA PRO 9 HA PRO 9 4.158 1.520 -1.081
65 HB2 PRO 9 HB2 PRO 9 3.195 2.107 1.370
66 HB3 PRO 9 HB3 PRO 9 4.830 1.494 1.092
67 HG2 PRO 9 HG2 PRO 9 3.911 4.273 1.599
68 HG3 PRO 9 HG3 PRO 9 5.345 3.440 2.228
69 HD2 PRO 9 HD2 PRO 9 5.404 5.197 0.110
70 HD3 PRO 9 HD3 PRO 9 6.580 3.893 0.346
71 H ILE 10 H ILE 10 2.545 1.552 -2.357
72 HA ILE 10 HA ILE 10 0.464 3.581 -2.278
73 HB ILE 10 HB ILE 10 0.788 1.149 -4.065
74 HG12 ILE 10 HG12 ILE 10 1.245 4.080 -4.663
75 HG13 ILE 10 HG13 ILE 10 2.510 2.885 -4.415
76 HG21 ILE 10 HG21 ILE 10 -1.194 3.418 -4.242
77 HG22 ILE 10 HG22 ILE 10 -1.560 1.737 -3.857
78 HG23 ILE 10 HG23 ILE 10 -0.972 2.166 -5.465
79 HD11 ILE 10 HD11 ILE 10 2.163 3.363 -6.784
80 HD12 ILE 10 HD12 ILE 10 0.479 2.863 -6.640
81 HD13 ILE 10 HD13 ILE 10 1.770 1.686 -6.408
82 H1A 2AG 11 HD PRG 11 0.993 2.437 2.004
83 HB2 2AG 11 HB2 PRG 11 -1.619 2.526 1.883
84 HB3 2AG 11 HB3 PRG 11 -2.528 1.035 1.993
85 HA 2AG 11 HA PRG 11 -2.149 0.634 -0.405
86 H 2AG 11 H PRG 11 -0.950 3.295 -0.655
87 H PHE 12 H PHE 12 -4.261 0.540 -0.043
88 HA PHE 12 HA PHE 12 -5.720 3.071 0.088
89 HB2 PHE 12 HB2 PHE 12 -6.625 0.509 -1.277
90 HB3 PHE 12 HB3 PHE 12 -7.541 1.999 -1.164
91 HD1 PHE 12 HD1 PHE 12 -5.008 0.221 -2.998
92 HD2 PHE 12 HD2 PHE 12 -6.721 4.055 -2.316
93 HE1 PHE 12 HE3 PHE 12 -3.969 1.052 -5.062
94 HE2 PHE 12 HE2 PHE 12 -5.692 4.888 -4.380
95 HZ PHE 12 HZ PHE 12 -4.311 3.390 -5.756
96 HA PRO 13 HA PRO 13 -7.046 1.529 3.985
97 HB2 PRO 13 HB2 PRO 13 -9.699 2.485 3.871
98 HB3 PRO 13 HB3 PRO 13 -8.314 3.310 4.584
99 HG2 PRO 13 HG2 PRO 13 -9.600 3.715 1.955
100 HG3 PRO 13 HG3 PRO 13 -8.692 4.855 2.951
101 HD2 PRO 13 HD2 PRO 13 -7.688 3.750 0.682
102 HD3 PRO 13 HD3 PRO 13 -6.674 4.230 2.058
103 H ASP 14 H ASP 14 -9.153 1.069 1.319
104 HA ASP 14 HA ASP 14 -10.290 -1.342 2.574
105 HB2 ASP 14 HB2 ASP 14 -11.916 0.139 1.507
106 HB3 ASP 14 HB3 ASP 14 -11.051 0.012 -0.020
Start of MODEL 20
1 H1 GLY 1 H GLY 1 -7.673 -1.385 0.191
2 HA2 GLY 1 HA2 GLY 1 -7.970 -4.040 1.074
3 HA3 GLY 1 HA3 GLY 1 -8.070 -3.977 -0.674
4 H ARG 2 H ARG 2 -6.047 -2.181 -1.312
5 HA ARG 2 HA ARG 2 -3.790 -3.902 -0.539
6 HB2 ARG 2 HB2 ARG 2 -4.410 -4.078 -2.846
7 HB3 ARG 2 HB3 ARG 2 -4.222 -2.333 -3.057
8 HG2 ARG 2 HG2 ARG 2 -1.793 -2.651 -2.469
9 HG3 ARG 2 HG3 ARG 2 -2.076 -4.387 -2.556
10 HD2 ARG 2 HD2 ARG 2 -2.520 -2.420 -4.804
11 HD3 ARG 2 HD3 ARG 2 -1.122 -3.472 -4.641
12 HE ARG 2 HE ARG 2 -3.432 -5.053 -4.632
13 HH11 ARG 2 1HH1 ARG 2 -1.614 -3.015 -6.879
14 HH12 ARG 2 2HH1 ARG 2 -2.074 -3.860 -8.276
15 HH21 ARG 2 1HH2 ARG 2 -4.113 -6.208 -6.575
16 HH22 ARG 2 2HH2 ARG 2 -3.548 -5.704 -8.096
17 H1 RVJ 3 H AZA 3 -2.143 -3.138 0.387
18 HA RVJ 3 HA AZA 3 -1.208 -0.429 -0.135
19 HB3 RVJ 3 HB3 AZA 3 -1.040 -1.779 2.586
20 HB2 RVJ 3 HB2 AZA 3 -2.117 -0.469 2.225
21 H THR 4 H THR 4 0.644 -0.545 -1.103
22 HA THR 4 HA THR 4 1.798 -3.158 -1.259
23 HB THR 4 HB THR 4 1.522 -1.902 -3.331
24 HG1 THR 4 HG3 THR 4 3.230 -2.759 -4.100
25 HG21 THR 4 HG21 THR 4 1.872 0.378 -2.505
26 HG22 THR 4 HG22 THR 4 2.952 0.032 -3.858
27 HG23 THR 4 HG23 THR 4 3.574 0.012 -2.208
28 H LYS 5 H LYS 5 3.746 -3.751 -0.661
29 HA LYS 5 HA LYS 5 5.010 -2.138 1.337
30 HB2 LYS 5 HB2 LYS 5 6.544 -4.197 1.589
31 HB3 LYS 5 HB3 LYS 5 4.879 -4.322 2.115
32 HG2 LYS 5 HG2 LYS 5 5.509 -6.361 1.020
33 HG3 LYS 5 HG3 LYS 5 4.355 -5.525 -0.000
34 HD2 LYS 5 HD2 LYS 5 6.202 -4.754 -1.431
35 HD3 LYS 5 HD3 LYS 5 7.355 -5.591 -0.389
36 HE2 LYS 5 HE2 LYS 5 6.287 -7.729 -0.894
37 HE3 LYS 5 HE3 LYS 5 5.098 -6.906 -1.899
38 HZ1 LYS 5 HZ1 LYS 5 6.922 -6.200 -3.352
39 HZ2 LYS 5 HZ2 LYS 5 6.819 -7.857 -3.280
40 HZ3 LYS 5 HZ3 LYS 5 8.029 -7.059 -2.433
41 H SER 6 H SER 6 5.202 -2.095 -1.805
42 HA SER 6 HA SER 6 8.078 -1.762 -1.977
43 HB2 SER 6 HB2 SER 6 6.747 -2.848 -3.824
44 HB3 SER 6 HB3 SER 6 5.977 -1.267 -4.069
45 HG SER 6 HG SER 6 7.604 -0.705 -5.181
46 H ILE 7 H ILE 7 8.979 0.183 -2.097
47 HA ILE 7 HA ILE 7 7.252 2.448 -1.425
48 HB ILE 7 HB ILE 7 9.256 3.706 -0.775
49 HG12 ILE 7 HG12 ILE 7 10.854 1.221 -1.462
50 HG13 ILE 7 HG13 ILE 7 10.830 2.686 -2.438
51 HG21 ILE 7 HG21 ILE 7 9.184 0.947 0.435
52 HG22 ILE 7 HG22 ILE 7 8.200 2.328 0.916
53 HG23 ILE 7 HG23 ILE 7 9.946 2.359 1.167
54 HD11 ILE 7 HD11 ILE 7 12.830 2.561 -1.075
55 HD12 ILE 7 HD12 ILE 7 11.846 2.426 0.384
56 HD13 ILE 7 HD13 ILE 7 11.820 3.914 -0.563
57 HA PRO 8 HA PRO 8 7.328 4.857 -1.507
58 HB2 PRO 8 HB2 PRO 8 5.460 6.264 -2.924
59 HB3 PRO 8 HB3 PRO 8 7.149 6.763 -2.805
60 HG2 PRO 8 HG2 PRO 8 5.776 5.260 -5.000
61 HG3 PRO 8 HG3 PRO 8 6.895 6.630 -5.120
62 HD2 PRO 8 HD2 PRO 8 7.717 4.120 -5.535
63 HD3 PRO 8 HD3 PRO 8 8.749 5.308 -4.713
64 HA PRO 9 HA PRO 9 4.010 1.926 -1.232
65 HB2 PRO 9 HB2 PRO 9 3.273 2.240 1.296
66 HB3 PRO 9 HB3 PRO 9 4.859 1.579 0.876
67 HG2 PRO 9 HG2 PRO 9 4.091 4.321 1.712
68 HG3 PRO 9 HG3 PRO 9 5.483 3.361 2.262
69 HD2 PRO 9 HD2 PRO 9 5.659 5.309 0.300
70 HD3 PRO 9 HD3 PRO 9 6.764 3.926 0.410
71 H ILE 10 H ILE 10 2.252 2.284 -2.262
72 HA ILE 10 HA ILE 10 0.503 4.463 -1.439
73 HB ILE 10 HB ILE 10 0.936 4.513 -3.838
74 HG12 ILE 10 HG12 ILE 10 -1.363 4.325 -4.774
75 HG13 ILE 10 HG13 ILE 10 -1.862 3.480 -3.317
76 HG21 ILE 10 HG21 ILE 10 0.325 2.696 -5.364
77 HG22 ILE 10 HG22 ILE 10 -0.045 1.676 -3.973
78 HG23 ILE 10 HG23 ILE 10 1.604 2.242 -4.236
79 HD11 ILE 10 HD11 ILE 10 -1.378 5.480 -1.997
80 HD12 ILE 10 HD12 ILE 10 -2.543 5.813 -3.276
81 HD13 ILE 10 HD13 ILE 10 -0.866 6.320 -3.460
82 H1A 2AG 11 HD PRG 11 0.765 3.291 2.171
83 HB2 2AG 11 HB2 PRG 11 -1.964 3.092 2.142
84 HB3 2AG 11 HB3 PRG 11 -2.684 1.495 2.146
85 HA 2AG 11 HA PRG 11 -2.128 1.250 -0.242
86 H 2AG 11 H PRG 11 -1.286 4.023 -0.323
87 H PHE 12 H PHE 12 -4.125 0.834 -0.340
88 HA PHE 12 HA PHE 12 -6.063 3.015 -0.398
89 HB2 PHE 12 HB2 PHE 12 -6.182 0.268 -1.679
90 HB3 PHE 12 HB3 PHE 12 -7.394 1.530 -1.835
91 HD1 PHE 12 HD1 PHE 12 -7.078 3.356 -3.379
92 HD2 PHE 12 HD2 PHE 12 -4.040 0.427 -2.830
93 HE1 PHE 12 HE3 PHE 12 -5.943 4.158 -5.400
94 HE2 PHE 12 HE2 PHE 12 -2.894 1.231 -4.855
95 HZ PHE 12 HZ PHE 12 -3.845 3.094 -6.142
96 HA PRO 13 HA PRO 13 -7.232 0.952 3.433
97 HB2 PRO 13 HB2 PRO 13 -9.621 2.254 3.781
98 HB3 PRO 13 HB3 PRO 13 -8.056 2.949 4.208
99 HG2 PRO 13 HG2 PRO 13 -9.709 3.390 1.756
100 HG3 PRO 13 HG3 PRO 13 -8.815 4.570 2.728
101 HD2 PRO 13 HD2 PRO 13 -7.871 3.633 0.405
102 HD3 PRO 13 HD3 PRO 13 -6.786 4.010 1.762
103 H ASP 14 H ASP 14 -8.818 0.919 0.507
104 HA ASP 14 HA ASP 14 -11.046 -0.721 1.143
105 HB2 ASP 14 HB2 ASP 14 -11.034 0.752 -0.819
106 HB3 ASP 14 HB3 ASP 14 -9.722 -0.182 -1.516
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