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 |
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|
622209 |
5ykk   |
36124 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 PHE 1 H PHE 1 2.432 0.322 -5.804
2 HA PHE 1 HA PHE 1 5.173 1.195 -5.589
3 HB2 PHE 1 2HB PHE 1 2.509 2.360 -5.139
4 HB3 PHE 1 3HB PHE 1 3.746 2.922 -4.020
5 HD1 PHE 1 HD1 PHE 1 2.193 3.611 -7.024
6 HD2 PHE 1 HD2 PHE 1 6.069 3.481 -5.269
7 HE1 PHE 1 HE1 PHE 1 3.016 5.179 -8.732
8 HE2 PHE 1 HE2 PHE 1 6.897 5.050 -6.973
9 HZ PHE 1 HZ PHE 1 5.370 5.902 -8.707
10 H LEU 2 H LEU 2 6.318 1.547 -3.658
11 HA LEU 2 HA LEU 2 5.440 -0.169 -1.436
12 HB2 LEU 2 2HB LEU 2 8.041 0.403 -2.681
13 HB3 LEU 2 3HB LEU 2 8.054 0.344 -0.920
14 HG LEU 2 HG LEU 2 6.912 -1.940 -1.183
15 HD11 LEU 2 1HD1 LEU 2 6.271 -1.889 -3.464
16 HD12 LEU 2 2HD1 LEU 2 7.573 -3.071 -3.329
17 HD13 LEU 2 3HD1 LEU 2 7.903 -1.468 -3.984
18 HD21 LEU 2 1HD2 LEU 2 8.945 -2.486 -0.475
19 HD22 LEU 2 2HD2 LEU 2 9.671 -1.120 -1.323
20 HD23 LEU 2 3HD2 LEU 2 9.425 -2.652 -2.164
21 HA PRO 3 HA PRO 3 5.164 3.190 1.373
22 HB2 PRO 3 2HB PRO 3 6.230 2.149 3.642
23 HB3 PRO 3 3HB PRO 3 4.654 1.659 3.009
24 HG2 PRO 3 2HG PRO 3 7.307 0.298 2.745
25 HG3 PRO 3 3HG PRO 3 5.717 -0.407 3.091
26 HD2 PRO 3 2HD PRO 3 6.836 -0.476 0.626
27 HD3 PRO 3 3HD PRO 3 5.081 -0.376 0.876
28 H LYS 4 H LYS 4 6.298 4.905 2.252
29 HA LYS 4 HA LYS 4 9.228 4.802 1.941
30 HB2 LYS 4 2HB LYS 4 8.652 7.463 1.807
31 HB3 LYS 4 3HB LYS 4 8.867 6.417 0.410
32 HG2 LYS 4 2HG LYS 4 6.600 6.277 -0.004
33 HG3 LYS 4 3HG LYS 4 6.167 6.709 1.652
34 HD2 LYS 4 2HD LYS 4 5.681 8.540 0.113
35 HD3 LYS 4 3HD LYS 4 6.945 8.997 1.257
36 HE2 LYS 4 2HE LYS 4 8.607 8.918 -0.354
37 HE3 LYS 4 3HE LYS 4 7.679 7.851 -1.405
38 HZ1 LYS 4 1HZ LYS 4 6.634 9.569 -2.366
39 HZ2 LYS 4 2HZ LYS 4 7.941 10.480 -1.796
40 HZ3 LYS 4 3HZ LYS 4 6.490 10.447 -0.927
41 H LEU 5 H LEU 5 7.939 4.046 4.323
42 HA LEU 5 HA LEU 5 7.489 5.879 6.280
43 HB2 LEU 5 2HB LEU 5 8.431 3.139 6.175
44 HB3 LEU 5 3HB LEU 5 9.093 4.009 7.558
45 HG LEU 5 HG LEU 5 6.212 4.370 7.232
46 HD11 LEU 5 1HD1 LEU 5 5.777 2.239 6.666
47 HD12 LEU 5 2HD1 LEU 5 6.107 1.923 8.369
48 HD13 LEU 5 3HD1 LEU 5 7.370 1.668 7.164
49 HD21 LEU 5 1HD2 LEU 5 7.830 3.311 9.541
50 HD22 LEU 5 2HD2 LEU 5 6.219 4.026 9.594
51 HD23 LEU 5 3HD2 LEU 5 7.616 5.026 9.195
52 H PHE 6 H PHE 6 10.632 4.860 5.034
53 HA PHE 6 HA PHE 6 11.856 7.085 6.528
54 HB2 PHE 6 2HB PHE 6 12.450 4.507 7.000
55 HB3 PHE 6 3HB PHE 6 13.573 4.818 5.681
56 HD1 PHE 6 HD1 PHE 6 15.617 5.818 6.108
57 HD2 PHE 6 HD2 PHE 6 12.490 6.154 8.976
58 HE1 PHE 6 HE1 PHE 6 17.184 6.868 7.688
59 HE2 PHE 6 HE2 PHE 6 14.051 7.205 10.560
60 HZ PHE 6 HZ PHE 6 16.401 7.564 9.917
61 H ALA 7 H ALA 7 11.109 5.826 3.519
62 HA ALA 7 HA ALA 7 13.371 6.678 2.019
63 HB1 ALA 7 1HB ALA 7 12.327 5.709 0.299
64 HB2 ALA 7 2HB ALA 7 11.141 5.168 1.488
65 HB3 ALA 7 3HB ALA 7 10.850 6.637 0.557
66 H LYS 8 H LYS 8 10.496 8.252 3.188
67 HA LYS 8 HA LYS 8 10.890 10.586 1.503
68 HB2 LYS 8 2HB LYS 8 8.880 11.458 2.588
69 HB3 LYS 8 3HB LYS 8 8.607 9.829 1.981
70 HG2 LYS 8 2HG LYS 8 9.354 9.236 4.479
71 HG3 LYS 8 3HG LYS 8 8.666 10.838 4.753
72 HD2 LYS 8 2HD LYS 8 7.256 8.581 3.332
73 HD3 LYS 8 3HD LYS 8 7.023 9.002 5.030
74 HE2 LYS 8 2HE LYS 8 6.714 11.393 3.614
75 HE3 LYS 8 3HE LYS 8 5.859 10.175 2.669
76 HZ1 LYS 8 1HZ LYS 8 4.760 11.455 4.705
77 HZ2 LYS 8 2HZ LYS 8 5.408 10.138 5.544
78 HZ3 LYS 8 3HZ LYS 8 4.321 9.879 4.274
79 H ILE 9 H ILE 9 11.241 9.643 4.883
80 HA ILE 9 HA ILE 9 11.878 12.215 5.878
81 HB ILE 9 HB ILE 9 12.430 11.192 7.898
82 HG12 ILE 9 2HG1 ILE 9 12.811 8.539 7.750
83 HG13 ILE 9 3HG1 ILE 9 13.409 8.990 6.157
84 HG21 ILE 9 1HG2 ILE 9 10.768 8.914 7.089
85 HG22 ILE 9 2HG2 ILE 9 10.500 10.132 8.335
86 HG23 ILE 9 3HG2 ILE 9 10.122 10.496 6.651
87 HD11 ILE 9 1HD1 ILE 9 14.549 9.489 8.823
88 HD12 ILE 9 2HD1 ILE 9 15.346 9.200 7.276
89 HD13 ILE 9 3HD1 ILE 9 14.701 10.798 7.652
90 H THR 10 H THR 10 13.727 9.765 4.255
91 HA THR 10 HA THR 10 16.285 10.906 4.987
92 HB THR 10 HB THR 10 17.177 9.231 3.308
93 HG1 THR 10 HG1 THR 10 15.682 7.649 2.608
94 HG21 THR 10 1HG2 THR 10 17.121 8.749 5.701
95 HG22 THR 10 2HG2 THR 10 16.760 7.298 4.766
96 HG23 THR 10 3HG2 THR 10 15.457 8.183 5.559
97 H LYS 11 H LYS 11 17.160 12.591 3.997
98 HA LYS 11 HA LYS 11 16.423 13.119 1.193
99 HB2 LYS 11 2HB LYS 11 16.877 15.547 1.755
100 HB3 LYS 11 3HB LYS 11 15.429 14.852 2.471
101 HG2 LYS 11 2HG LYS 11 17.955 14.806 4.040
102 HG3 LYS 11 3HG LYS 11 17.076 16.329 3.881
103 HD2 LYS 11 2HD LYS 11 15.018 14.830 4.547
104 HD3 LYS 11 3HD LYS 11 16.273 13.799 5.239
105 HE2 LYS 11 2HE LYS 11 16.989 15.480 6.714
106 HE3 LYS 11 3HE LYS 11 16.144 16.743 5.820
107 HZ1 LYS 11 1HZ LYS 11 15.218 15.450 8.032
108 HZ2 LYS 11 2HZ LYS 11 14.375 14.706 6.769
109 HZ3 LYS 11 3HZ LYS 11 14.291 16.383 6.968
110 H LYS 12 H LYS 12 18.738 11.696 2.608
111 HA LYS 12 HA LYS 12 20.904 13.212 1.304
112 HB2 LYS 12 2HB LYS 12 22.249 11.616 3.024
113 HB3 LYS 12 3HB LYS 12 21.744 13.257 3.405
114 HG2 LYS 12 2HG LYS 12 20.011 12.555 4.753
115 HG3 LYS 12 3HG LYS 12 19.909 10.973 3.976
116 HD2 LYS 12 2HD LYS 12 20.861 10.614 6.118
117 HD3 LYS 12 3HD LYS 12 22.182 10.478 4.955
118 HE2 LYS 12 2HE LYS 12 21.812 13.200 5.900
119 HE3 LYS 12 3HE LYS 12 22.133 12.073 7.217
120 HZ1 LYS 12 1HZ LYS 12 24.242 12.624 6.593
121 HZ2 LYS 12 2HZ LYS 12 23.846 12.830 4.962
122 HZ3 LYS 12 3HZ LYS 12 24.003 11.273 5.604
123 H ASN 13 H ASN 13 20.747 9.908 2.592
124 HA ASN 13 HA ASN 13 22.255 8.702 0.631
125 HB2 ASN 13 2HB ASN 13 20.587 7.844 2.798
126 HB3 ASN 13 3HB ASN 13 20.282 6.816 1.401
127 HD21 ASN 13 1HD2 ASN 13 21.623 5.194 1.053
128 HD22 ASN 13 2HD2 ASN 13 23.184 5.002 1.769
129 H MET 14 H MET 14 18.904 9.640 0.539
130 HA MET 14 HA MET 14 18.013 8.060 -1.592
131 HB2 MET 14 2HB MET 14 16.599 9.497 -0.080
132 HB3 MET 14 3HB MET 14 17.136 10.890 -1.009
133 HG2 MET 14 2HG MET 14 15.428 10.548 -2.367
134 HG3 MET 14 3HG MET 14 16.229 9.074 -2.908
135 HE1 MET 14 1HE MET 14 12.380 8.427 -2.489
136 HE2 MET 14 2HE MET 14 12.607 10.028 -1.787
137 HE3 MET 14 3HE MET 14 13.443 9.592 -3.278
138 H ALA 15 H ALA 15 19.293 11.387 -1.642
139 HA ALA 15 HA ALA 15 19.366 11.479 -4.505
140 HB1 ALA 15 1HB ALA 15 20.952 13.536 -3.757
141 HB2 ALA 15 2HB ALA 15 19.191 13.615 -3.820
142 HB3 ALA 15 3HB ALA 15 20.005 13.302 -2.287
143 H HIS 16 H HIS 16 21.193 9.783 -2.401
144 HA HIS 16 HA HIS 16 23.697 10.148 -3.895
145 HB2 HIS 16 2HB HIS 16 23.100 9.655 -1.126
146 HB3 HIS 16 3HB HIS 16 24.099 8.348 -1.754
147 HD1 HIS 16 HD1 HIS 16 24.501 11.376 -0.065
148 HD2 HIS 16 HD2 HIS 16 26.375 9.700 -3.373
149 HE1 HIS 16 HE1 HIS 16 26.710 12.563 -0.260
150 H ILE 17 H ILE 17 21.052 8.039 -3.484
151 HA ILE 17 HA ILE 17 22.104 5.523 -3.922
152 HB ILE 17 HB ILE 17 19.968 4.863 -4.805
153 HG12 ILE 17 2HG1 ILE 17 19.646 7.804 -5.337
154 HG13 ILE 17 3HG1 ILE 17 19.429 6.452 -6.444
155 HG21 ILE 17 1HG2 ILE 17 19.303 7.023 -2.837
156 HG22 ILE 17 2HG2 ILE 17 18.613 5.408 -2.987
157 HG23 ILE 17 3HG2 ILE 17 20.251 5.613 -2.366
158 HD11 ILE 17 1HD1 ILE 17 17.288 7.351 -5.940
159 HD12 ILE 17 2HD1 ILE 17 17.423 5.796 -5.117
160 HD13 ILE 17 3HD1 ILE 17 17.608 7.295 -4.207
161 H ARG 18 H ARG 18 21.387 8.065 -6.268
162 HA ARG 18 HA ARG 18 23.044 6.642 -8.221
163 HB2 ARG 18 2HB ARG 18 20.188 7.112 -8.429
164 HB3 ARG 18 3HB ARG 18 21.061 7.868 -9.754
165 HG2 ARG 18 2HG ARG 18 22.198 5.637 -10.105
166 HG3 ARG 18 3HG ARG 18 21.009 4.967 -8.986
167 HD2 ARG 18 2HD ARG 18 19.217 5.888 -10.461
168 HD3 ARG 18 3HD ARG 18 20.472 6.343 -11.613
169 HE ARG 18 HE ARG 18 20.760 3.624 -11.024
170 HH11 ARG 18 1HH1 ARG 18 18.524 5.772 -12.607
171 HH12 ARG 18 2HH1 ARG 18 17.946 4.567 -13.711
172 HH21 ARG 18 1HH2 ARG 18 20.008 2.030 -12.471
173 HH22 ARG 18 2HH2 ARG 18 18.790 2.439 -13.632
Start of MODEL 2
1 H1 PHE 1 H PHE 1 6.159 1.013 -5.156
2 HA PHE 1 HA PHE 1 4.208 -0.528 -5.119
3 HB2 PHE 1 2HB PHE 1 6.248 -2.370 -4.769
4 HB3 PHE 1 3HB PHE 1 5.465 -2.323 -3.193
5 HD1 PHE 1 HD1 PHE 1 5.188 -3.349 -6.650
6 HD2 PHE 1 HD2 PHE 1 3.074 -2.896 -2.984
7 HE1 PHE 1 HE1 PHE 1 3.411 -4.825 -7.497
8 HE2 PHE 1 HE2 PHE 1 1.294 -4.372 -3.825
9 HZ PHE 1 HZ PHE 1 1.461 -5.339 -6.083
10 H LEU 2 H LEU 2 6.531 -0.235 -2.432
11 HA LEU 2 HA LEU 2 4.399 0.442 -0.590
12 HB2 LEU 2 2HB LEU 2 7.212 -0.343 -0.412
13 HB3 LEU 2 3HB LEU 2 6.738 0.885 0.760
14 HG LEU 2 HG LEU 2 4.805 -0.743 1.325
15 HD11 LEU 2 1HD1 LEU 2 5.024 -2.289 -0.478
16 HD12 LEU 2 2HD1 LEU 2 5.489 -3.123 1.004
17 HD13 LEU 2 3HD1 LEU 2 6.729 -2.558 -0.115
18 HD21 LEU 2 1HD2 LEU 2 7.288 -0.267 2.403
19 HD22 LEU 2 2HD2 LEU 2 7.247 -2.025 2.264
20 HD23 LEU 2 3HD2 LEU 2 5.988 -1.182 3.167
21 HA PRO 3 HA PRO 3 4.723 4.815 -0.718
22 HB2 PRO 3 2HB PRO 3 4.503 5.499 1.900
23 HB3 PRO 3 3HB PRO 3 3.144 4.889 0.949
24 HG2 PRO 3 2HG PRO 3 4.916 3.431 2.872
25 HG3 PRO 3 3HG PRO 3 3.155 3.337 2.681
26 HD2 PRO 3 2HD PRO 3 4.833 1.476 1.655
27 HD3 PRO 3 3HD PRO 3 3.301 1.915 0.873
28 H LYS 4 H LYS 4 5.802 6.692 0.767
29 HA LYS 4 HA LYS 4 8.659 5.996 0.884
30 HB2 LYS 4 2HB LYS 4 8.787 8.638 0.776
31 HB3 LYS 4 3HB LYS 4 8.604 7.669 -0.680
32 HG2 LYS 4 2HG LYS 4 6.156 8.041 -0.558
33 HG3 LYS 4 3HG LYS 4 6.429 9.121 0.811
34 HD2 LYS 4 2HD LYS 4 8.178 9.879 -1.305
35 HD3 LYS 4 3HD LYS 4 6.546 9.719 -1.958
36 HE2 LYS 4 2HE LYS 4 5.739 11.449 -0.727
37 HE3 LYS 4 3HE LYS 4 6.819 11.130 0.629
38 HZ1 LYS 4 1HZ LYS 4 8.626 12.124 -0.582
39 HZ2 LYS 4 2HZ LYS 4 7.334 13.214 -0.527
40 HZ3 LYS 4 3HZ LYS 4 7.652 12.351 -1.947
41 H LEU 5 H LEU 5 7.036 5.394 3.081
42 HA LEU 5 HA LEU 5 6.718 7.211 5.087
43 HB2 LEU 5 2HB LEU 5 6.754 5.443 6.608
44 HB3 LEU 5 3HB LEU 5 6.242 4.712 5.088
45 HG LEU 5 HG LEU 5 9.080 4.597 6.087
46 HD11 LEU 5 1HD1 LEU 5 6.833 2.636 6.517
47 HD12 LEU 5 2HD1 LEU 5 7.718 3.527 7.755
48 HD13 LEU 5 3HD1 LEU 5 8.539 2.290 6.802
49 HD21 LEU 5 1HD2 LEU 5 9.373 3.866 3.997
50 HD22 LEU 5 2HD2 LEU 5 7.642 3.670 3.725
51 HD23 LEU 5 3HD2 LEU 5 8.558 2.397 4.534
52 H PHE 6 H PHE 6 9.723 5.770 3.981
53 HA PHE 6 HA PHE 6 11.179 7.576 5.798
54 HB2 PHE 6 2HB PHE 6 11.282 4.919 6.067
55 HB3 PHE 6 3HB PHE 6 12.517 5.103 4.825
56 HD1 PHE 6 HD1 PHE 6 14.685 5.658 5.418
57 HD2 PHE 6 HD2 PHE 6 11.520 6.378 8.171
58 HE1 PHE 6 HE1 PHE 6 16.329 6.268 7.143
59 HE2 PHE 6 HE2 PHE 6 13.159 6.990 9.901
60 HZ PHE 6 HZ PHE 6 15.567 6.937 9.388
61 H ALA 7 H ALA 7 10.498 6.737 2.626
62 HA ALA 7 HA ALA 7 12.998 7.338 1.398
63 HB1 ALA 7 1HB ALA 7 10.668 7.811 -0.276
64 HB2 ALA 7 2HB ALA 7 11.989 6.658 -0.471
65 HB3 ALA 7 3HB ALA 7 10.610 6.254 0.552
66 H LYS 8 H LYS 8 10.251 9.228 2.426
67 HA LYS 8 HA LYS 8 11.147 11.604 1.023
68 HB2 LYS 8 2HB LYS 8 9.196 12.682 2.100
69 HB3 LYS 8 3HB LYS 8 8.760 11.236 1.199
70 HG2 LYS 8 2HG LYS 8 7.854 10.324 2.999
71 HG3 LYS 8 3HG LYS 8 9.342 10.549 3.920
72 HD2 LYS 8 2HD LYS 8 7.652 11.730 5.085
73 HD3 LYS 8 3HD LYS 8 8.625 12.948 4.257
74 HE2 LYS 8 2HE LYS 8 6.863 13.669 3.105
75 HE3 LYS 8 3HE LYS 8 6.472 12.034 2.572
76 HZ1 LYS 8 1HZ LYS 8 4.713 12.126 3.890
77 HZ2 LYS 8 2HZ LYS 8 5.189 13.617 4.533
78 HZ3 LYS 8 3HZ LYS 8 5.740 12.179 5.234
79 H ILE 9 H ILE 9 11.209 10.258 4.254
80 HA ILE 9 HA ILE 9 12.073 12.654 5.549
81 HB ILE 9 HB ILE 9 12.219 11.427 7.509
82 HG12 ILE 9 2HG1 ILE 9 12.290 8.764 7.193
83 HG13 ILE 9 3HG1 ILE 9 13.114 9.236 5.711
84 HG21 ILE 9 1HG2 ILE 9 9.992 11.166 6.030
85 HG22 ILE 9 2HG2 ILE 9 10.390 9.467 6.279
86 HG23 ILE 9 3HG2 ILE 9 10.152 10.529 7.666
87 HD11 ILE 9 1HD1 ILE 9 14.013 9.367 8.499
88 HD12 ILE 9 2HD1 ILE 9 14.935 9.157 7.010
89 HD13 ILE 9 3HD1 ILE 9 14.416 10.768 7.507
90 H THR 10 H THR 10 13.645 10.067 3.858
91 HA THR 10 HA THR 10 16.274 10.691 4.896
92 HB THR 10 HB THR 10 17.026 9.040 3.112
93 HG1 THR 10 HG1 THR 10 14.868 9.385 1.979
94 HG21 THR 10 1HG2 THR 10 16.727 8.386 5.446
95 HG22 THR 10 2HG2 THR 10 16.211 7.091 4.366
96 HG23 THR 10 3HG2 THR 10 15.010 8.110 5.160
97 H LYS 11 H LYS 11 17.497 12.282 4.150
98 HA LYS 11 HA LYS 11 17.123 13.160 1.361
99 HB2 LYS 11 2HB LYS 11 17.971 15.412 2.244
100 HB3 LYS 11 3HB LYS 11 16.323 14.951 2.651
101 HG2 LYS 11 2HG LYS 11 17.245 15.835 4.620
102 HG3 LYS 11 3HG LYS 11 17.248 14.084 4.840
103 HD2 LYS 11 2HD LYS 11 19.540 13.930 4.640
104 HD3 LYS 11 3HD LYS 11 19.663 15.417 3.698
105 HE2 LYS 11 2HE LYS 11 20.031 16.618 5.533
106 HE3 LYS 11 3HE LYS 11 18.587 15.968 6.308
107 HZ1 LYS 11 1HZ LYS 11 20.964 14.265 6.189
108 HZ2 LYS 11 2HZ LYS 11 19.768 14.367 7.380
109 HZ3 LYS 11 3HZ LYS 11 20.971 15.552 7.287
110 H LYS 12 H LYS 12 19.034 11.249 2.807
111 HA LYS 12 HA LYS 12 21.528 12.474 1.823
112 HB2 LYS 12 2HB LYS 12 22.435 10.552 3.494
113 HB3 LYS 12 3HB LYS 12 22.167 12.221 3.979
114 HG2 LYS 12 2HG LYS 12 20.231 11.722 5.123
115 HG3 LYS 12 3HG LYS 12 19.942 10.245 4.200
116 HD2 LYS 12 2HD LYS 12 21.363 9.002 5.484
117 HD3 LYS 12 3HD LYS 12 22.403 10.378 5.858
118 HE2 LYS 12 2HE LYS 12 21.351 10.695 7.789
119 HE3 LYS 12 3HE LYS 12 19.800 10.821 6.961
120 HZ1 LYS 12 1HZ LYS 12 20.815 8.128 7.239
121 HZ2 LYS 12 2HZ LYS 12 19.255 8.729 7.493
122 HZ3 LYS 12 3HZ LYS 12 20.429 8.887 8.701
123 H ASN 13 H ASN 13 20.730 9.157 2.801
124 HA ASN 13 HA ASN 13 22.192 7.872 0.850
125 HB2 ASN 13 2HB ASN 13 20.244 7.136 2.821
126 HB3 ASN 13 3HB ASN 13 19.899 6.273 1.325
127 HD21 ASN 13 1HD2 ASN 13 22.280 6.858 3.810
128 HD22 ASN 13 2HD2 ASN 13 23.236 5.453 3.497
129 H MET 14 H MET 14 19.056 9.355 0.611
130 HA MET 14 HA MET 14 18.086 8.095 -1.691
131 HB2 MET 14 2HB MET 14 16.815 9.649 -0.167
132 HB3 MET 14 3HB MET 14 17.645 10.988 -0.948
133 HG2 MET 14 2HG MET 14 16.015 11.030 -2.439
134 HG3 MET 14 3HG MET 14 16.600 9.479 -3.037
135 HE1 MET 14 1HE MET 14 15.621 7.368 -2.809
136 HE2 MET 14 2HE MET 14 15.689 7.156 -1.060
137 HE3 MET 14 3HE MET 14 14.167 6.915 -1.919
138 H ALA 15 H ALA 15 19.896 11.152 -1.396
139 HA ALA 15 HA ALA 15 20.208 11.418 -4.232
140 HB1 ALA 15 1HB ALA 15 21.718 13.299 -3.634
141 HB2 ALA 15 2HB ALA 15 20.121 13.407 -2.893
142 HB3 ALA 15 3HB ALA 15 21.503 12.877 -1.934
143 H HIS 16 H HIS 16 21.561 9.302 -2.150
144 HA HIS 16 HA HIS 16 24.199 9.334 -3.442
145 HB2 HIS 16 2HB HIS 16 23.315 8.770 -0.765
146 HB3 HIS 16 3HB HIS 16 24.131 7.356 -1.426
147 HD1 HIS 16 HD1 HIS 16 24.846 11.104 -1.374
148 HD2 HIS 16 HD2 HIS 16 26.765 7.452 -0.882
149 HE1 HIS 16 HE1 HIS 16 27.239 11.668 -0.848
150 H ILE 17 H ILE 17 21.219 7.682 -3.372
151 HA ILE 17 HA ILE 17 21.875 5.059 -3.934
152 HB ILE 17 HB ILE 17 19.735 4.829 -5.005
153 HG12 ILE 17 2HG1 ILE 17 19.944 7.811 -5.327
154 HG13 ILE 17 3HG1 ILE 17 19.594 6.591 -6.548
155 HG21 ILE 17 1HG2 ILE 17 19.948 5.361 -2.501
156 HG22 ILE 17 2HG2 ILE 17 19.282 6.938 -2.924
157 HG23 ILE 17 3HG2 ILE 17 18.352 5.474 -3.242
158 HD11 ILE 17 1HD1 ILE 17 17.598 7.805 -6.119
159 HD12 ILE 17 2HD1 ILE 17 17.410 6.200 -5.412
160 HD13 ILE 17 3HD1 ILE 17 17.768 7.583 -4.378
161 H ARG 18 H ARG 18 21.772 7.833 -6.117
162 HA ARG 18 HA ARG 18 23.031 6.154 -8.187
163 HB2 ARG 18 2HB ARG 18 20.849 6.793 -8.957
164 HB3 ARG 18 3HB ARG 18 21.117 8.468 -8.494
165 HG2 ARG 18 2HG ARG 18 22.007 8.934 -10.467
166 HG3 ARG 18 3HG ARG 18 23.156 7.602 -10.322
167 HD2 ARG 18 2HD ARG 18 21.989 6.960 -12.191
168 HD3 ARG 18 3HD ARG 18 21.067 6.143 -10.930
169 HE ARG 18 HE ARG 18 19.947 8.672 -11.342
170 HH11 ARG 18 1HH1 ARG 18 20.346 5.644 -13.012
171 HH12 ARG 18 2HH1 ARG 18 18.902 5.823 -13.953
172 HH21 ARG 18 1HH2 ARG 18 18.044 8.919 -12.574
173 HH22 ARG 18 2HH2 ARG 18 17.594 7.687 -13.704
Start of MODEL 3
1 H1 PHE 1 H PHE 1 1.807 0.001 0.856
2 HA PHE 1 HA PHE 1 2.540 -0.976 -1.355
3 HB2 PHE 1 2HB PHE 1 1.764 0.318 -3.334
4 HB3 PHE 1 3HB PHE 1 0.463 -0.544 -2.519
5 HD1 PHE 1 HD1 PHE 1 1.782 2.683 -3.480
6 HD2 PHE 1 HD2 PHE 1 -1.158 0.698 -1.128
7 HE1 PHE 1 HE1 PHE 1 0.518 4.785 -3.292
8 HE2 PHE 1 HE2 PHE 1 -2.427 2.796 -0.937
9 HZ PHE 1 HZ PHE 1 -1.590 4.844 -2.020
10 H LEU 2 H LEU 2 4.425 -0.162 -2.217
11 HA LEU 2 HA LEU 2 6.298 1.122 -2.317
12 HB2 LEU 2 2HB LEU 2 4.070 3.067 -2.484
13 HB3 LEU 2 3HB LEU 2 5.677 3.715 -2.160
14 HG LEU 2 HG LEU 2 6.389 2.374 -4.252
15 HD11 LEU 2 1HD1 LEU 2 3.927 1.360 -4.188
16 HD12 LEU 2 2HD1 LEU 2 4.828 1.578 -5.688
17 HD13 LEU 2 3HD1 LEU 2 3.615 2.765 -5.207
18 HD21 LEU 2 1HD2 LEU 2 4.820 4.425 -5.426
19 HD22 LEU 2 2HD2 LEU 2 6.541 4.441 -5.040
20 HD23 LEU 2 3HD2 LEU 2 5.364 4.992 -3.847
21 HA PRO 3 HA PRO 3 6.236 1.598 2.311
22 HB2 PRO 3 2HB PRO 3 8.277 -0.136 2.756
23 HB3 PRO 3 3HB PRO 3 6.590 -0.648 2.636
24 HG2 PRO 3 2HG PRO 3 8.749 -0.741 0.565
25 HG3 PRO 3 3HG PRO 3 7.534 -1.967 0.969
26 HD2 PRO 3 2HD PRO 3 7.282 -0.313 -1.160
27 HD3 PRO 3 3HD PRO 3 5.883 -0.913 -0.247
28 H LYS 4 H LYS 4 7.017 3.734 1.985
29 HA LYS 4 HA LYS 4 9.956 3.935 1.863
30 HB2 LYS 4 2HB LYS 4 9.145 6.444 1.233
31 HB3 LYS 4 3HB LYS 4 9.512 5.200 0.044
32 HG2 LYS 4 2HG LYS 4 7.299 4.814 -0.439
33 HG3 LYS 4 3HG LYS 4 6.743 5.410 1.126
34 HD2 LYS 4 2HD LYS 4 6.154 6.967 -0.654
35 HD3 LYS 4 3HD LYS 4 7.319 7.696 0.454
36 HE2 LYS 4 2HE LYS 4 9.087 7.447 -1.080
37 HE3 LYS 4 3HE LYS 4 8.167 6.324 -2.081
38 HZ1 LYS 4 1HZ LYS 4 7.211 9.083 -1.699
39 HZ2 LYS 4 2HZ LYS 4 6.912 8.018 -2.978
40 HZ3 LYS 4 3HZ LYS 4 8.425 8.760 -2.833
41 H LEU 5 H LEU 5 8.467 3.451 4.248
42 HA LEU 5 HA LEU 5 7.728 5.539 5.818
43 HB2 LEU 5 2HB LEU 5 8.651 2.886 6.233
44 HB3 LEU 5 3HB LEU 5 9.453 3.930 7.405
45 HG LEU 5 HG LEU 5 6.516 4.223 7.130
46 HD11 LEU 5 1HD1 LEU 5 6.627 2.269 8.995
47 HD12 LEU 5 2HD1 LEU 5 7.844 1.702 7.852
48 HD13 LEU 5 3HD1 LEU 5 6.195 2.006 7.306
49 HD21 LEU 5 1HD2 LEU 5 8.444 5.198 8.816
50 HD22 LEU 5 2HD2 LEU 5 7.744 3.879 9.756
51 HD23 LEU 5 3HD2 LEU 5 6.711 5.172 9.145
52 H PHE 6 H PHE 6 11.020 4.616 4.967
53 HA PHE 6 HA PHE 6 11.960 7.127 6.190
54 HB2 PHE 6 2HB PHE 6 12.704 4.702 7.082
55 HB3 PHE 6 3HB PHE 6 13.900 4.913 5.807
56 HD1 PHE 6 HD1 PHE 6 15.833 6.109 6.227
57 HD2 PHE 6 HD2 PHE 6 12.462 6.638 8.771
58 HE1 PHE 6 HE1 PHE 6 17.192 7.504 7.731
59 HE2 PHE 6 HE2 PHE 6 13.815 8.035 10.279
60 HZ PHE 6 HZ PHE 6 16.183 8.470 9.759
61 H ALA 7 H ALA 7 11.527 5.404 3.361
62 HA ALA 7 HA ALA 7 13.835 6.233 1.904
63 HB1 ALA 7 1HB ALA 7 11.421 5.699 0.336
64 HB2 ALA 7 2HB ALA 7 13.018 4.953 0.256
65 HB3 ALA 7 3HB ALA 7 11.852 4.415 1.465
66 H LYS 8 H LYS 8 10.745 7.660 2.622
67 HA LYS 8 HA LYS 8 11.061 9.745 0.621
68 HB2 LYS 8 2HB LYS 8 8.901 10.580 1.500
69 HB3 LYS 8 3HB LYS 8 8.824 8.899 0.989
70 HG2 LYS 8 2HG LYS 8 8.136 8.265 2.994
71 HG3 LYS 8 3HG LYS 8 9.520 9.042 3.766
72 HD2 LYS 8 2HD LYS 8 7.630 10.080 4.706
73 HD3 LYS 8 3HD LYS 8 8.233 11.226 3.506
74 HE2 LYS 8 2HE LYS 8 6.543 10.579 1.943
75 HE3 LYS 8 3HE LYS 8 6.033 9.239 2.968
76 HZ1 LYS 8 1HZ LYS 8 5.867 12.079 3.805
77 HZ2 LYS 8 2HZ LYS 8 5.168 10.738 4.564
78 HZ3 LYS 8 3HZ LYS 8 4.589 11.255 3.061
79 H ILE 9 H ILE 9 11.392 9.291 4.078
80 HA ILE 9 HA ILE 9 11.661 12.064 4.709
81 HB ILE 9 HB ILE 9 12.090 11.423 6.902
82 HG12 ILE 9 2HG1 ILE 9 12.729 8.839 7.228
83 HG13 ILE 9 3HG1 ILE 9 13.427 9.090 5.632
84 HG21 ILE 9 1HG2 ILE 9 10.726 8.884 6.315
85 HG22 ILE 9 2HG2 ILE 9 10.247 10.217 7.366
86 HG23 ILE 9 3HG2 ILE 9 9.977 10.324 5.626
87 HD11 ILE 9 1HD1 ILE 9 14.351 11.261 6.979
88 HD12 ILE 9 2HD1 ILE 9 14.316 10.035 8.247
89 HD13 ILE 9 3HD1 ILE 9 15.230 9.747 6.766
90 H THR 10 H THR 10 13.815 9.564 3.637
91 HA THR 10 HA THR 10 16.210 11.022 4.359
92 HB THR 10 HB THR 10 17.363 9.188 3.041
93 HG1 THR 10 HG1 THR 10 16.108 7.450 2.397
94 HG21 THR 10 1HG2 THR 10 17.142 9.090 5.473
95 HG22 THR 10 2HG2 THR 10 16.978 7.483 4.765
96 HG23 THR 10 3HG2 THR 10 15.546 8.358 5.307
97 H LYS 11 H LYS 11 17.038 12.601 3.175
98 HA LYS 11 HA LYS 11 16.506 12.618 0.275
99 HB2 LYS 11 2HB LYS 11 16.736 15.137 0.471
100 HB3 LYS 11 3HB LYS 11 15.282 14.438 1.171
101 HG2 LYS 11 2HG LYS 11 17.648 14.848 2.926
102 HG3 LYS 11 3HG LYS 11 16.683 16.249 2.453
103 HD2 LYS 11 2HD LYS 11 14.680 14.715 3.185
104 HD3 LYS 11 3HD LYS 11 15.930 13.892 4.121
105 HE2 LYS 11 2HE LYS 11 15.000 15.516 5.561
106 HE3 LYS 11 3HE LYS 11 16.554 16.164 5.039
107 HZ1 LYS 11 1HZ LYS 11 14.044 16.865 3.645
108 HZ2 LYS 11 2HZ LYS 11 15.526 17.681 3.622
109 HZ3 LYS 11 3HZ LYS 11 14.561 17.719 5.011
110 H LYS 12 H LYS 12 18.793 11.650 2.079
111 HA LYS 12 HA LYS 12 20.942 13.112 0.689
112 HB2 LYS 12 2HB LYS 12 22.252 11.964 2.757
113 HB3 LYS 12 3HB LYS 12 21.591 13.593 2.802
114 HG2 LYS 12 2HG LYS 12 19.811 12.981 4.129
115 HG3 LYS 12 3HG LYS 12 19.892 11.288 3.639
116 HD2 LYS 12 2HD LYS 12 21.726 10.854 5.026
117 HD3 LYS 12 3HD LYS 12 22.115 12.567 5.198
118 HE2 LYS 12 2HE LYS 12 21.147 11.977 7.246
119 HE3 LYS 12 3HE LYS 12 19.851 12.782 6.362
120 HZ1 LYS 12 1HZ LYS 12 18.919 10.658 5.793
121 HZ2 LYS 12 2HZ LYS 12 19.126 10.731 7.470
122 HZ3 LYS 12 3HZ LYS 12 20.207 9.838 6.523
123 H ASN 13 H ASN 13 20.931 10.080 2.534
124 HA ASN 13 HA ASN 13 22.687 8.697 0.924
125 HB2 ASN 13 2HB ASN 13 20.808 8.039 3.040
126 HB3 ASN 13 3HB ASN 13 20.933 6.738 1.860
127 HD21 ASN 13 1HD2 ASN 13 23.108 5.978 1.343
128 HD22 ASN 13 2HD2 ASN 13 24.305 5.983 2.589
129 H MET 14 H MET 14 19.292 9.295 0.447
130 HA MET 14 HA MET 14 18.699 7.289 -1.414
131 HB2 MET 14 2HB MET 14 17.062 8.837 -0.283
132 HB3 MET 14 3HB MET 14 17.561 10.087 -1.414
133 HG2 MET 14 2HG MET 14 15.998 9.356 -2.793
134 HG3 MET 14 3HG MET 14 16.952 7.889 -3.004
135 HE1 MET 14 1HE MET 14 14.529 6.671 -3.656
136 HE2 MET 14 2HE MET 14 15.855 5.768 -2.924
137 HE3 MET 14 3HE MET 14 14.201 5.517 -2.363
138 H ALA 15 H ALA 15 19.716 10.658 -1.986
139 HA ALA 15 HA ALA 15 20.010 10.252 -4.807
140 HB1 ALA 15 1HB ALA 15 21.040 12.527 -4.753
141 HB2 ALA 15 2HB ALA 15 19.425 12.439 -4.048
142 HB3 ALA 15 3HB ALA 15 20.841 12.515 -3.000
143 H HIS 16 H HIS 16 21.790 9.125 -2.316
144 HA HIS 16 HA HIS 16 24.368 9.448 -3.686
145 HB2 HIS 16 2HB HIS 16 23.593 9.398 -0.918
146 HB3 HIS 16 3HB HIS 16 24.737 8.097 -1.233
147 HD1 HIS 16 HD1 HIS 16 24.597 11.615 -0.469
148 HD2 HIS 16 HD2 HIS 16 27.194 9.127 -2.549
149 HE1 HIS 16 HE1 HIS 16 26.758 12.890 -0.639
150 H ILE 17 H ILE 17 21.871 7.212 -3.070
151 HA ILE 17 HA ILE 17 23.148 4.765 -2.975
152 HB ILE 17 HB ILE 17 21.147 3.768 -3.859
153 HG12 ILE 17 2HG1 ILE 17 20.641 6.529 -4.936
154 HG13 ILE 17 3HG1 ILE 17 20.618 4.990 -5.791
155 HG21 ILE 17 1HG2 ILE 17 21.177 4.960 -1.584
156 HG22 ILE 17 2HG2 ILE 17 20.161 6.171 -2.364
157 HG23 ILE 17 3HG2 ILE 17 19.615 4.497 -2.259
158 HD11 ILE 17 1HD1 ILE 17 18.381 5.765 -5.598
159 HD12 ILE 17 2HD1 ILE 17 18.570 4.398 -4.499
160 HD13 ILE 17 3HD1 ILE 17 18.565 6.044 -3.867
161 H ARG 18 H ARG 18 22.426 6.779 -5.784
162 HA ARG 18 HA ARG 18 23.806 4.852 -7.513
163 HB2 ARG 18 2HB ARG 18 22.880 6.253 -9.376
164 HB3 ARG 18 3HB ARG 18 21.663 5.477 -8.371
165 HG2 ARG 18 2HG ARG 18 20.868 7.435 -7.580
166 HG3 ARG 18 3HG ARG 18 22.455 8.206 -7.583
167 HD2 ARG 18 2HD ARG 18 21.286 7.537 -10.218
168 HD3 ARG 18 3HD ARG 18 20.515 8.840 -9.315
169 HE ARG 18 HE ARG 18 23.324 9.191 -9.373
170 HH11 ARG 18 1HH1 ARG 18 20.477 9.469 -11.357
171 HH12 ARG 18 2HH1 ARG 18 21.146 10.705 -12.371
172 HH21 ARG 18 1HH2 ARG 18 24.215 10.818 -10.701
173 HH22 ARG 18 2HH2 ARG 18 23.272 11.471 -11.997
Start of MODEL 4
1 H1 PHE 1 H PHE 1 2.861 -3.268 -2.901
2 HA PHE 1 HA PHE 1 2.601 -1.020 -2.578
3 HB2 PHE 1 2HB PHE 1 2.333 -1.731 0.351
4 HB3 PHE 1 3HB PHE 1 2.013 -0.147 -0.349
5 HD1 PHE 1 HD1 PHE 1 0.376 -0.411 -2.543
6 HD2 PHE 1 HD2 PHE 1 0.457 -2.908 0.903
7 HE1 PHE 1 HE1 PHE 1 -1.956 -1.070 -2.970
8 HE2 PHE 1 HE2 PHE 1 -1.874 -3.572 0.481
9 HZ PHE 1 HZ PHE 1 -3.083 -2.653 -1.457
10 H LEU 2 H LEU 2 4.280 0.283 -2.845
11 HA LEU 2 HA LEU 2 6.628 -0.076 -1.101
12 HB2 LEU 2 2HB LEU 2 6.369 0.412 -4.026
13 HB3 LEU 2 3HB LEU 2 7.759 1.087 -3.180
14 HG LEU 2 HG LEU 2 8.250 -1.066 -4.271
15 HD11 LEU 2 1HD1 LEU 2 9.060 -0.206 -1.838
16 HD12 LEU 2 2HD1 LEU 2 9.691 -1.640 -2.647
17 HD13 LEU 2 3HD1 LEU 2 8.423 -1.800 -1.431
18 HD21 LEU 2 1HD2 LEU 2 7.204 -3.061 -3.724
19 HD22 LEU 2 2HD2 LEU 2 5.860 -1.920 -3.781
20 HD23 LEU 2 3HD2 LEU 2 6.531 -2.417 -2.226
21 HA PRO 3 HA PRO 3 4.948 4.203 -0.428
22 HB2 PRO 3 2HB PRO 3 5.172 4.118 2.276
23 HB3 PRO 3 3HB PRO 3 3.748 3.527 1.411
24 HG2 PRO 3 2HG PRO 3 6.065 1.989 2.520
25 HG3 PRO 3 3HG PRO 3 4.334 1.608 2.586
26 HD2 PRO 3 2HD PRO 3 6.015 0.445 0.810
27 HD3 PRO 3 3HD PRO 3 4.309 0.767 0.440
28 H LYS 4 H LYS 4 6.015 5.916 1.090
29 HA LYS 4 HA LYS 4 8.940 5.587 0.923
30 HB2 LYS 4 2HB LYS 4 8.625 8.279 0.883
31 HB3 LYS 4 3HB LYS 4 8.762 7.283 -0.560
32 HG2 LYS 4 2HG LYS 4 6.522 7.434 -1.046
33 HG3 LYS 4 3HG LYS 4 6.072 7.762 0.629
34 HD2 LYS 4 2HD LYS 4 5.807 9.757 -0.745
35 HD3 LYS 4 3HD LYS 4 7.078 9.991 0.458
36 HE2 LYS 4 2HE LYS 4 8.782 9.608 -1.199
37 HE3 LYS 4 3HE LYS 4 7.569 9.185 -2.406
38 HZ1 LYS 4 1HZ LYS 4 8.513 11.510 -2.507
39 HZ2 LYS 4 2HZ LYS 4 7.630 11.841 -1.103
40 HZ3 LYS 4 3HZ LYS 4 6.825 11.389 -2.521
41 H LEU 5 H LEU 5 7.360 4.875 3.189
42 HA LEU 5 HA LEU 5 7.012 6.664 5.201
43 HB2 LEU 5 2HB LEU 5 7.281 3.888 4.997
44 HB3 LEU 5 3HB LEU 5 8.430 4.380 6.239
45 HG LEU 5 HG LEU 5 5.837 5.615 6.628
46 HD11 LEU 5 1HD1 LEU 5 4.993 3.610 5.547
47 HD12 LEU 5 2HD1 LEU 5 4.644 3.576 7.275
48 HD13 LEU 5 3HD1 LEU 5 5.961 2.602 6.623
49 HD21 LEU 5 1HD2 LEU 5 6.863 3.665 8.564
50 HD22 LEU 5 2HD2 LEU 5 6.400 5.352 8.785
51 HD23 LEU 5 3HD2 LEU 5 7.993 4.952 8.142
52 H PHE 6 H PHE 6 10.079 5.353 4.065
53 HA PHE 6 HA PHE 6 11.463 7.310 5.779
54 HB2 PHE 6 2HB PHE 6 11.725 4.653 6.094
55 HB3 PHE 6 3HB PHE 6 12.953 4.913 4.859
56 HD1 PHE 6 HD1 PHE 6 15.073 5.603 5.471
57 HD2 PHE 6 HD2 PHE 6 11.835 6.177 8.173
58 HE1 PHE 6 HE1 PHE 6 16.655 6.351 7.201
59 HE2 PHE 6 HE2 PHE 6 13.411 6.927 9.907
60 HZ PHE 6 HZ PHE 6 15.824 7.016 9.422
61 H ALA 7 H ALA 7 10.743 6.369 2.656
62 HA ALA 7 HA ALA 7 13.182 7.052 1.345
63 HB1 ALA 7 1HB ALA 7 10.728 7.340 -0.225
64 HB2 ALA 7 2HB ALA 7 12.156 6.346 -0.517
65 HB3 ALA 7 3HB ALA 7 10.897 5.780 0.580
66 H LYS 8 H LYS 8 10.411 8.837 2.455
67 HA LYS 8 HA LYS 8 11.138 11.216 0.951
68 HB2 LYS 8 2HB LYS 8 9.165 12.225 2.059
69 HB3 LYS 8 3HB LYS 8 8.777 10.744 1.194
70 HG2 LYS 8 2HG LYS 8 7.959 9.821 3.031
71 HG3 LYS 8 3HG LYS 8 9.456 10.136 3.912
72 HD2 LYS 8 2HD LYS 8 7.791 11.277 5.116
73 HD3 LYS 8 3HD LYS 8 8.605 12.526 4.172
74 HE2 LYS 8 2HE LYS 8 6.341 11.264 2.808
75 HE3 LYS 8 3HE LYS 8 5.904 12.137 4.276
76 HZ1 LYS 8 1HZ LYS 8 5.840 13.855 2.839
77 HZ2 LYS 8 2HZ LYS 8 6.923 13.152 1.746
78 HZ3 LYS 8 3HZ LYS 8 7.504 13.912 3.142
79 H ILE 9 H ILE 9 11.339 9.954 4.212
80 HA ILE 9 HA ILE 9 12.120 12.419 5.428
81 HB ILE 9 HB ILE 9 12.396 11.239 7.412
82 HG12 ILE 9 2HG1 ILE 9 12.531 8.574 7.143
83 HG13 ILE 9 3HG1 ILE 9 13.282 9.038 5.620
84 HG21 ILE 9 1HG2 ILE 9 10.128 10.866 5.993
85 HG22 ILE 9 2HG2 ILE 9 10.583 9.195 6.322
86 HG23 ILE 9 3HG2 ILE 9 10.352 10.325 7.657
87 HD11 ILE 9 1HD1 ILE 9 15.160 9.061 6.828
88 HD12 ILE 9 2HD1 ILE 9 14.594 10.643 7.365
89 HD13 ILE 9 3HD1 ILE 9 14.296 9.216 8.357
90 H THR 10 H THR 10 13.774 9.861 3.766
91 HA THR 10 HA THR 10 16.394 10.649 4.716
92 HB THR 10 HB THR 10 17.194 8.970 2.992
93 HG1 THR 10 HG1 THR 10 15.257 9.068 1.694
94 HG21 THR 10 1HG2 THR 10 15.227 8.013 5.076
95 HG22 THR 10 2HG2 THR 10 16.931 8.378 5.348
96 HG23 THR 10 3HG2 THR 10 16.473 7.028 4.310
97 H LYS 11 H LYS 11 17.519 12.268 3.881
98 HA LYS 11 HA LYS 11 17.032 13.025 1.074
99 HB2 LYS 11 2HB LYS 11 17.733 15.349 1.811
100 HB3 LYS 11 3HB LYS 11 16.164 14.797 2.384
101 HG2 LYS 11 2HG LYS 11 18.542 14.359 4.114
102 HG3 LYS 11 3HG LYS 11 17.865 15.985 3.991
103 HD2 LYS 11 2HD LYS 11 15.599 14.733 4.427
104 HD3 LYS 11 3HD LYS 11 16.657 13.500 5.119
105 HE2 LYS 11 2HE LYS 11 17.132 16.308 5.936
106 HE3 LYS 11 3HE LYS 11 15.671 15.531 6.545
107 HZ1 LYS 11 1HZ LYS 11 17.859 15.346 7.876
108 HZ2 LYS 11 2HZ LYS 11 18.260 14.147 6.753
109 HZ3 LYS 11 3HZ LYS 11 16.877 13.978 7.713
110 H LYS 12 H LYS 12 19.074 11.272 2.551
111 HA LYS 12 HA LYS 12 21.476 12.577 1.448
112 HB2 LYS 12 2HB LYS 12 22.523 10.779 3.174
113 HB3 LYS 12 3HB LYS 12 22.181 12.452 3.594
114 HG2 LYS 12 2HG LYS 12 20.303 11.906 4.810
115 HG3 LYS 12 3HG LYS 12 20.068 10.377 3.959
116 HD2 LYS 12 2HD LYS 12 20.964 9.474 5.815
117 HD3 LYS 12 3HD LYS 12 22.498 9.972 5.099
118 HE2 LYS 12 2HE LYS 12 22.622 10.816 7.261
119 HE3 LYS 12 3HE LYS 12 22.088 12.206 6.316
120 HZ1 LYS 12 1HZ LYS 12 20.191 12.304 7.444
121 HZ2 LYS 12 2HZ LYS 12 20.872 11.217 8.546
122 HZ3 LYS 12 3HZ LYS 12 19.898 10.645 7.287
123 H ASN 13 H ASN 13 20.873 9.271 2.586
124 HA ASN 13 HA ASN 13 22.353 7.973 0.659
125 HB2 ASN 13 2HB ASN 13 20.346 7.226 2.629
126 HB3 ASN 13 3HB ASN 13 20.264 6.210 1.192
127 HD21 ASN 13 1HD2 ASN 13 20.953 4.461 2.499
128 HD22 ASN 13 2HD2 ASN 13 22.619 4.273 2.916
129 H MET 14 H MET 14 19.137 9.283 0.429
130 HA MET 14 HA MET 14 18.198 7.884 -1.806
131 HB2 MET 14 2HB MET 14 16.868 9.420 -0.313
132 HB3 MET 14 3HB MET 14 17.606 10.774 -1.158
133 HG2 MET 14 2HG MET 14 15.949 10.669 -2.614
134 HG3 MET 14 3HG MET 14 16.612 9.134 -3.171
135 HE1 MET 14 1HE MET 14 14.854 7.106 -3.395
136 HE2 MET 14 2HE MET 14 16.074 6.892 -2.139
137 HE3 MET 14 3HE MET 14 14.393 6.463 -1.819
138 H ALA 15 H ALA 15 19.836 11.047 -1.657
139 HA ALA 15 HA ALA 15 20.080 11.227 -4.506
140 HB1 ALA 15 1HB ALA 15 21.288 12.839 -2.268
141 HB2 ALA 15 2HB ALA 15 21.530 13.199 -3.978
142 HB3 ALA 15 3HB ALA 15 19.910 13.265 -3.283
143 H HIS 16 H HIS 16 21.589 9.267 -2.379
144 HA HIS 16 HA HIS 16 24.197 9.400 -3.725
145 HB2 HIS 16 2HB HIS 16 23.395 8.884 -1.012
146 HB3 HIS 16 3HB HIS 16 24.278 7.496 -1.640
147 HD1 HIS 16 HD1 HIS 16 24.719 10.976 -0.487
148 HD2 HIS 16 HD2 HIS 16 26.973 8.060 -2.404
149 HE1 HIS 16 HE1 HIS 16 27.101 11.768 -0.347
150 H ILE 17 H ILE 17 21.317 7.587 -3.536
151 HA ILE 17 HA ILE 17 22.110 4.986 -4.019
152 HB ILE 17 HB ILE 17 19.968 4.599 -5.038
153 HG12 ILE 17 2HG1 ILE 17 20.001 7.574 -5.468
154 HG13 ILE 17 3HG1 ILE 17 19.699 6.294 -6.638
155 HG21 ILE 17 1HG2 ILE 17 20.195 5.231 -2.559
156 HG22 ILE 17 2HG2 ILE 17 19.434 6.752 -3.022
157 HG23 ILE 17 3HG2 ILE 17 18.582 5.228 -3.271
158 HD11 ILE 17 1HD1 ILE 17 17.645 7.408 -6.211
159 HD12 ILE 17 2HD1 ILE 17 17.562 5.822 -5.445
160 HD13 ILE 17 3HD1 ILE 17 17.860 7.259 -4.467
161 H ARG 18 H ARG 18 21.810 7.670 -6.296
162 HA ARG 18 HA ARG 18 22.228 6.196 -8.656
163 HB2 ARG 18 2HB ARG 18 21.533 8.732 -8.185
164 HB3 ARG 18 3HB ARG 18 23.246 8.986 -8.487
165 HG2 ARG 18 2HG ARG 18 22.810 7.566 -10.620
166 HG3 ARG 18 3HG ARG 18 21.124 8.007 -10.339
167 HD2 ARG 18 2HD ARG 18 21.502 10.242 -10.727
168 HD3 ARG 18 3HD ARG 18 23.205 10.139 -10.280
169 HE ARG 18 HE ARG 18 22.102 9.813 -12.883
170 HH11 ARG 18 1HH1 ARG 18 24.658 8.726 -10.783
171 HH12 ARG 18 2HH1 ARG 18 25.728 8.315 -12.082
172 HH21 ARG 18 1HH2 ARG 18 23.502 9.277 -14.602
173 HH22 ARG 18 2HH2 ARG 18 25.070 8.630 -14.254
Start of MODEL 5
1 H1 PHE 1 H PHE 1 4.029 0.537 4.498
2 HA PHE 1 HA PHE 1 2.093 -0.002 3.341
3 HB2 PHE 1 2HB PHE 1 1.553 2.970 3.481
4 HB3 PHE 1 3HB PHE 1 0.491 1.811 2.688
5 HD1 PHE 1 HD1 PHE 1 -0.538 -0.026 4.077
6 HD2 PHE 1 HD2 PHE 1 1.432 3.338 5.786
7 HE1 PHE 1 HE1 PHE 1 -1.671 -0.455 6.218
8 HE2 PHE 1 HE2 PHE 1 0.302 2.914 7.930
9 HZ PHE 1 HZ PHE 1 -1.251 1.015 8.149
10 H LEU 2 H LEU 2 4.082 2.737 2.404
11 HA LEU 2 HA LEU 2 3.735 2.057 -0.426
12 HB2 LEU 2 2HB LEU 2 4.711 4.466 1.041
13 HB3 LEU 2 3HB LEU 2 5.222 4.200 -0.625
14 HG LEU 2 HG LEU 2 3.319 5.736 -0.473
15 HD11 LEU 2 1HD1 LEU 2 1.895 4.639 -2.121
16 HD12 LEU 2 2HD1 LEU 2 2.630 3.084 -1.732
17 HD13 LEU 2 3HD1 LEU 2 3.602 4.359 -2.467
18 HD21 LEU 2 1HD2 LEU 2 2.409 4.427 1.591
19 HD22 LEU 2 2HD2 LEU 2 1.561 3.474 0.373
20 HD23 LEU 2 3HD2 LEU 2 1.287 5.214 0.480
21 HA PRO 3 HA PRO 3 7.682 0.190 -0.862
22 HB2 PRO 3 2HB PRO 3 8.484 1.103 -3.289
23 HB3 PRO 3 3HB PRO 3 7.194 -0.089 -3.089
24 HG2 PRO 3 2HG PRO 3 6.991 2.862 -3.549
25 HG3 PRO 3 3HG PRO 3 6.051 1.549 -4.281
26 HD2 PRO 3 2HD PRO 3 5.102 3.059 -2.244
27 HD3 PRO 3 3HD PRO 3 4.665 1.351 -2.450
28 H LYS 4 H LYS 4 7.401 3.620 -0.874
29 HA LYS 4 HA LYS 4 10.294 3.871 -0.363
30 HB2 LYS 4 2HB LYS 4 9.560 6.407 -0.976
31 HB3 LYS 4 3HB LYS 4 10.202 5.259 -2.143
32 HG2 LYS 4 2HG LYS 4 8.151 4.878 -3.105
33 HG3 LYS 4 3HG LYS 4 7.263 5.351 -1.654
34 HD2 LYS 4 2HD LYS 4 7.014 7.025 -3.407
35 HD3 LYS 4 3HD LYS 4 7.901 7.687 -2.032
36 HE2 LYS 4 2HE LYS 4 8.918 8.352 -4.152
37 HE3 LYS 4 3HE LYS 4 10.007 7.335 -3.209
38 HZ1 LYS 4 1HZ LYS 4 9.744 5.572 -4.641
39 HZ2 LYS 4 2HZ LYS 4 9.691 6.877 -5.716
40 HZ3 LYS 4 3HZ LYS 4 8.257 6.117 -5.239
41 H LEU 5 H LEU 5 8.357 3.193 1.618
42 HA LEU 5 HA LEU 5 7.246 5.149 3.137
43 HB2 LEU 5 2HB LEU 5 7.873 2.498 3.506
44 HB3 LEU 5 3HB LEU 5 8.800 3.299 4.773
45 HG LEU 5 HG LEU 5 5.857 3.788 4.414
46 HD11 LEU 5 1HD1 LEU 5 7.205 1.612 6.002
47 HD12 LEU 5 2HD1 LEU 5 6.043 1.418 4.690
48 HD13 LEU 5 3HD1 LEU 5 5.529 2.115 6.226
49 HD21 LEU 5 1HD2 LEU 5 7.089 3.836 7.066
50 HD22 LEU 5 2HD2 LEU 5 6.003 4.993 6.295
51 HD23 LEU 5 3HD2 LEU 5 7.733 5.042 5.951
52 H PHE 6 H PHE 6 10.669 4.337 2.935
53 HA PHE 6 HA PHE 6 11.260 6.765 4.497
54 HB2 PHE 6 2HB PHE 6 11.872 4.292 5.355
55 HB3 PHE 6 3HB PHE 6 13.301 4.613 4.378
56 HD1 PHE 6 HD1 PHE 6 15.068 5.802 5.276
57 HD2 PHE 6 HD2 PHE 6 11.227 6.095 7.086
58 HE1 PHE 6 HE1 PHE 6 16.042 7.102 7.124
59 HE2 PHE 6 HE2 PHE 6 12.194 7.396 8.936
60 HZ PHE 6 HZ PHE 6 14.605 7.902 8.957
61 H ALA 7 H ALA 7 11.476 5.248 1.528
62 HA ALA 7 HA ALA 7 14.011 6.213 0.648
63 HB1 ALA 7 1HB ALA 7 11.994 5.762 -1.424
64 HB2 ALA 7 2HB ALA 7 13.593 5.046 -1.218
65 HB3 ALA 7 3HB ALA 7 12.217 4.405 -0.320
66 H LYS 8 H LYS 8 10.800 7.540 0.798
67 HA LYS 8 HA LYS 8 11.465 9.771 -0.944
68 HB2 LYS 8 2HB LYS 8 9.146 10.508 -0.482
69 HB3 LYS 8 3HB LYS 8 9.225 8.868 -1.112
70 HG2 LYS 8 2HG LYS 8 8.153 8.081 0.656
71 HG3 LYS 8 3HG LYS 8 9.324 8.818 1.753
72 HD2 LYS 8 2HD LYS 8 7.285 9.786 2.362
73 HD3 LYS 8 3HD LYS 8 8.045 11.003 1.334
74 HE2 LYS 8 2HE LYS 8 6.142 11.007 0.170
75 HE3 LYS 8 3HE LYS 8 6.646 9.436 -0.453
76 HZ1 LYS 8 1HZ LYS 8 5.453 9.078 2.063
77 HZ2 LYS 8 2HZ LYS 8 4.929 8.508 0.560
78 HZ3 LYS 8 3HZ LYS 8 4.418 10.022 1.115
79 H ILE 9 H ILE 9 11.082 9.069 2.466
80 HA ILE 9 HA ILE 9 11.134 11.792 3.329
81 HB ILE 9 HB ILE 9 11.114 10.999 5.513
82 HG12 ILE 9 2HG1 ILE 9 11.746 8.407 5.789
83 HG13 ILE 9 3HG1 ILE 9 12.754 8.784 4.397
84 HG21 ILE 9 1HG2 ILE 9 9.251 9.735 5.496
85 HG22 ILE 9 2HG2 ILE 9 9.346 9.968 3.751
86 HG23 ILE 9 3HG2 ILE 9 9.977 8.491 4.478
87 HD11 ILE 9 1HD1 ILE 9 13.067 9.522 7.195
88 HD12 ILE 9 2HD1 ILE 9 14.265 9.410 5.905
89 HD13 ILE 9 3HD1 ILE 9 13.288 10.867 6.077
90 H THR 10 H THR 10 13.535 9.407 2.563
91 HA THR 10 HA THR 10 15.684 10.839 3.872
92 HB THR 10 HB THR 10 17.138 9.124 2.698
93 HG1 THR 10 HG1 THR 10 16.217 7.705 1.400
94 HG21 THR 10 1HG2 THR 10 14.914 8.107 4.472
95 HG22 THR 10 2HG2 THR 10 16.425 8.838 5.015
96 HG23 THR 10 3HG2 THR 10 16.447 7.287 4.176
97 H LYS 11 H LYS 11 16.696 12.513 3.002
98 HA LYS 11 HA LYS 11 16.779 12.740 0.064
99 HB2 LYS 11 2HB LYS 11 16.892 15.240 0.482
100 HB3 LYS 11 3HB LYS 11 15.344 14.472 0.807
101 HG2 LYS 11 2HG LYS 11 17.275 14.778 3.047
102 HG3 LYS 11 3HG LYS 11 16.391 16.198 2.483
103 HD2 LYS 11 2HD LYS 11 14.323 14.591 2.663
104 HD3 LYS 11 3HD LYS 11 15.371 13.710 3.777
105 HE2 LYS 11 2HE LYS 11 15.650 16.352 4.550
106 HE3 LYS 11 3HE LYS 11 13.940 16.212 4.145
107 HZ1 LYS 11 1HZ LYS 11 13.582 15.122 6.021
108 HZ2 LYS 11 2HZ LYS 11 15.193 15.378 6.469
109 HZ3 LYS 11 3HZ LYS 11 14.759 13.966 5.646
110 H LYS 12 H LYS 12 18.666 11.670 2.235
111 HA LYS 12 HA LYS 12 21.015 13.260 1.433
112 HB2 LYS 12 2HB LYS 12 21.898 11.978 3.644
113 HB3 LYS 12 3HB LYS 12 21.196 13.591 3.664
114 HG2 LYS 12 2HG LYS 12 19.196 12.857 4.541
115 HG3 LYS 12 3HG LYS 12 19.427 11.206 3.961
116 HD2 LYS 12 2HD LYS 12 21.158 12.448 6.087
117 HD3 LYS 12 3HD LYS 12 19.678 11.560 6.456
118 HE2 LYS 12 2HE LYS 12 20.664 9.644 5.123
119 HE3 LYS 12 3HE LYS 12 22.185 10.536 5.143
120 HZ1 LYS 12 1HZ LYS 12 20.923 9.019 7.234
121 HZ2 LYS 12 2HZ LYS 12 21.434 10.549 7.741
122 HZ3 LYS 12 3HZ LYS 12 22.543 9.472 7.055
123 H ASN 13 H ASN 13 20.708 10.099 3.016
124 HA ASN 13 HA ASN 13 22.798 8.864 1.717
125 HB2 ASN 13 2HB ASN 13 20.634 8.059 3.419
126 HB3 ASN 13 3HB ASN 13 20.830 6.869 2.136
127 HD21 ASN 13 1HD2 ASN 13 21.475 7.021 5.115
128 HD22 ASN 13 2HD2 ASN 13 23.098 6.434 5.207
129 H MET 14 H MET 14 19.561 9.449 0.582
130 HA MET 14 HA MET 14 19.426 7.582 -1.498
131 HB2 MET 14 2HB MET 14 17.546 9.017 -0.629
132 HB3 MET 14 3HB MET 14 18.233 10.355 -1.539
133 HG2 MET 14 2HG MET 14 17.012 9.708 -3.263
134 HG3 MET 14 3HG MET 14 18.032 8.275 -3.373
135 HE1 MET 14 1HE MET 14 15.303 6.375 -4.136
136 HE2 MET 14 2HE MET 14 17.047 6.639 -4.099
137 HE3 MET 14 3HE MET 14 16.299 5.525 -2.954
138 H ALA 15 H ALA 15 20.441 10.998 -1.605
139 HA ALA 15 HA ALA 15 21.328 10.809 -4.323
140 HB1 ALA 15 1HB ALA 15 22.199 12.997 -2.487
141 HB2 ALA 15 2HB ALA 15 21.778 13.068 -4.198
142 HB3 ALA 15 3HB ALA 15 20.511 12.889 -2.985
143 H HIS 16 H HIS 16 22.583 9.524 -1.600
144 HA HIS 16 HA HIS 16 25.379 9.984 -2.373
145 HB2 HIS 16 2HB HIS 16 24.046 9.714 0.160
146 HB3 HIS 16 3HB HIS 16 25.269 8.456 0.000
147 HD1 HIS 16 HD1 HIS 16 27.756 9.284 -0.351
148 HD2 HIS 16 HD2 HIS 16 25.014 12.249 0.627
149 HE1 HIS 16 HE1 HIS 16 29.133 11.265 0.361
150 H ILE 17 H ILE 17 22.875 7.674 -2.455
151 HA ILE 17 HA ILE 17 24.176 5.244 -2.269
152 HB ILE 17 HB ILE 17 22.432 4.290 -3.620
153 HG12 ILE 17 2HG1 ILE 17 22.081 7.116 -4.582
154 HG13 ILE 17 3HG1 ILE 17 22.280 5.645 -5.528
155 HG21 ILE 17 1HG2 ILE 17 20.580 4.874 -2.330
156 HG22 ILE 17 2HG2 ILE 17 21.953 5.304 -1.311
157 HG23 ILE 17 3HG2 ILE 17 21.087 6.558 -2.197
158 HD11 ILE 17 1HD1 ILE 17 20.027 4.930 -4.742
159 HD12 ILE 17 2HD1 ILE 17 19.843 6.523 -4.007
160 HD13 ILE 17 3HD1 ILE 17 20.031 6.373 -5.754
161 H ARG 18 H ARG 18 23.993 7.455 -5.017
162 HA ARG 18 HA ARG 18 25.353 5.700 -6.820
163 HB2 ARG 18 2HB ARG 18 24.665 8.633 -6.910
164 HB3 ARG 18 3HB ARG 18 25.582 7.847 -8.188
165 HG2 ARG 18 2HG ARG 18 23.785 6.636 -8.926
166 HG3 ARG 18 3HG ARG 18 22.985 6.660 -7.353
167 HD2 ARG 18 2HD ARG 18 22.550 9.080 -7.665
168 HD3 ARG 18 3HD ARG 18 23.250 8.965 -9.279
169 HE ARG 18 HE ARG 18 21.286 7.060 -9.226
170 HH11 ARG 18 1HH1 ARG 18 21.430 10.496 -8.686
171 HH12 ARG 18 2HH1 ARG 18 19.812 10.782 -9.235
172 HH21 ARG 18 1HH2 ARG 18 19.154 7.424 -9.951
173 HH22 ARG 18 2HH2 ARG 18 18.518 9.034 -9.954
Start of MODEL 6
1 H1 PHE 1 H PHE 1 2.003 0.294 -4.368
2 HA PHE 1 HA PHE 1 4.825 0.282 -5.092
3 HB2 PHE 1 2HB PHE 1 3.225 2.545 -5.556
4 HB3 PHE 1 3HB PHE 1 4.141 2.905 -4.096
5 HD1 PHE 1 HD1 PHE 1 6.709 1.782 -4.458
6 HD2 PHE 1 HD2 PHE 1 4.172 3.563 -7.374
7 HE1 PHE 1 HE1 PHE 1 8.677 2.336 -5.827
8 HE2 PHE 1 HE2 PHE 1 6.135 4.119 -8.748
9 HZ PHE 1 HZ PHE 1 8.392 3.505 -7.976
10 H LEU 2 H LEU 2 6.178 0.229 -3.356
11 HA LEU 2 HA LEU 2 5.076 -0.453 -0.830
12 HB2 LEU 2 2HB LEU 2 7.711 -0.329 -2.067
13 HB3 LEU 2 3HB LEU 2 7.731 0.115 -0.362
14 HG LEU 2 HG LEU 2 6.373 -2.126 -0.101
15 HD11 LEU 2 1HD1 LEU 2 6.442 -3.617 -1.773
16 HD12 LEU 2 2HD1 LEU 2 8.077 -3.162 -2.250
17 HD13 LEU 2 3HD1 LEU 2 6.700 -2.203 -2.795
18 HD21 LEU 2 1HD2 LEU 2 8.496 -3.298 0.273
19 HD22 LEU 2 2HD2 LEU 2 8.519 -1.665 0.941
20 HD23 LEU 2 3HD2 LEU 2 9.350 -2.010 -0.577
21 HA PRO 3 HA PRO 3 4.848 3.376 1.299
22 HB2 PRO 3 2HB PRO 3 5.766 2.729 3.771
23 HB3 PRO 3 3HB PRO 3 4.196 2.196 3.160
24 HG2 PRO 3 2HG PRO 3 6.787 0.702 3.283
25 HG3 PRO 3 3HG PRO 3 5.151 0.139 3.672
26 HD2 PRO 3 2HD PRO 3 6.367 -0.431 1.321
27 HD3 PRO 3 3HD PRO 3 4.611 -0.215 1.459
28 H LYS 4 H LYS 4 6.048 5.124 2.190
29 HA LYS 4 HA LYS 4 8.963 4.889 1.819
30 HB2 LYS 4 2HB LYS 4 8.521 7.546 1.515
31 HB3 LYS 4 3HB LYS 4 8.592 6.402 0.181
32 HG2 LYS 4 2HG LYS 4 6.316 6.413 -0.131
33 HG3 LYS 4 3HG LYS 4 5.982 6.908 1.530
34 HD2 LYS 4 2HD LYS 4 5.519 8.726 -0.026
35 HD3 LYS 4 3HD LYS 4 6.866 9.140 1.037
36 HE2 LYS 4 2HE LYS 4 8.267 9.355 -0.684
37 HE3 LYS 4 3HE LYS 4 7.765 7.812 -1.375
38 HZ1 LYS 4 1HZ LYS 4 5.667 9.249 -2.013
39 HZ2 LYS 4 2HZ LYS 4 7.043 9.204 -2.994
40 HZ3 LYS 4 3HZ LYS 4 6.795 10.508 -1.946
41 H LEU 5 H LEU 5 7.600 4.373 4.271
42 HA LEU 5 HA LEU 5 7.327 6.360 6.101
43 HB2 LEU 5 2HB LEU 5 7.940 3.558 6.168
44 HB3 LEU 5 3HB LEU 5 8.842 4.399 7.426
45 HG LEU 5 HG LEU 5 5.845 4.445 7.071
46 HD11 LEU 5 1HD1 LEU 5 5.728 3.048 8.990
47 HD12 LEU 5 2HD1 LEU 5 7.466 3.168 9.262
48 HD13 LEU 5 3HD1 LEU 5 6.852 2.289 7.863
49 HD21 LEU 5 1HD2 LEU 5 7.604 6.224 8.431
50 HD22 LEU 5 2HD2 LEU 5 6.680 5.317 9.630
51 HD23 LEU 5 3HD2 LEU 5 5.841 6.236 8.378
52 H PHE 6 H PHE 6 10.354 5.049 4.863
53 HA PHE 6 HA PHE 6 11.775 7.236 6.235
54 HB2 PHE 6 2HB PHE 6 12.185 4.642 6.812
55 HB3 PHE 6 3HB PHE 6 13.299 4.810 5.460
56 HD1 PHE 6 HD1 PHE 6 15.426 5.644 5.817
57 HD2 PHE 6 HD2 PHE 6 12.384 6.391 8.699
58 HE1 PHE 6 HE1 PHE 6 17.100 6.640 7.320
59 HE2 PHE 6 HE2 PHE 6 14.053 7.389 10.206
60 HZ PHE 6 HZ PHE 6 16.414 7.515 9.517
61 H ALA 7 H ALA 7 10.858 5.926 3.303
62 HA ALA 7 HA ALA 7 13.152 6.551 1.728
63 HB1 ALA 7 1HB ALA 7 10.573 6.569 0.344
64 HB2 ALA 7 2HB ALA 7 12.018 5.603 0.044
65 HB3 ALA 7 3HB ALA 7 10.876 5.116 1.297
66 H LYS 8 H LYS 8 10.396 8.342 2.865
67 HA LYS 8 HA LYS 8 10.891 10.565 1.058
68 HB2 LYS 8 2HB LYS 8 8.966 11.615 2.210
69 HB3 LYS 8 3HB LYS 8 8.581 10.033 1.545
70 HG2 LYS 8 2HG LYS 8 7.953 9.291 3.533
71 HG3 LYS 8 3HG LYS 8 9.498 9.758 4.247
72 HD2 LYS 8 2HD LYS 8 7.878 10.960 5.454
73 HD3 LYS 8 3HD LYS 8 8.563 12.127 4.321
74 HE2 LYS 8 2HE LYS 8 6.676 11.924 2.867
75 HE3 LYS 8 3HE LYS 8 6.039 10.568 3.797
76 HZ1 LYS 8 1HZ LYS 8 6.116 12.361 5.703
77 HZ2 LYS 8 2HZ LYS 8 4.794 12.242 4.654
78 HZ3 LYS 8 3HZ LYS 8 5.974 13.427 4.397
79 H ILE 9 H ILE 9 11.405 9.683 4.408
80 HA ILE 9 HA ILE 9 12.163 12.295 5.282
81 HB ILE 9 HB ILE 9 12.648 11.355 7.352
82 HG12 ILE 9 2HG1 ILE 9 12.885 8.684 7.362
83 HG13 ILE 9 3HG1 ILE 9 13.492 9.003 5.741
84 HG21 ILE 9 1HG2 ILE 9 10.853 9.135 6.647
85 HG22 ILE 9 2HG2 ILE 9 10.675 10.399 7.862
86 HG23 ILE 9 3HG2 ILE 9 10.295 10.740 6.174
87 HD11 ILE 9 1HD1 ILE 9 15.454 9.214 6.795
88 HD12 ILE 9 2HD1 ILE 9 14.870 10.836 7.166
89 HD13 ILE 9 3HD1 ILE 9 14.700 9.544 8.354
90 H THR 10 H THR 10 13.800 9.633 3.775
91 HA THR 10 HA THR 10 16.446 10.621 4.413
92 HB THR 10 HB THR 10 17.186 8.791 2.822
93 HG1 THR 10 HG1 THR 10 15.620 7.341 2.135
94 HG21 THR 10 1HG2 THR 10 16.664 6.982 4.398
95 HG22 THR 10 2HG2 THR 10 15.435 7.998 5.152
96 HG23 THR 10 3HG2 THR 10 17.135 8.457 5.242
97 H LYS 11 H LYS 11 17.425 12.178 3.318
98 HA LYS 11 HA LYS 11 16.685 12.596 0.495
99 HB2 LYS 11 2HB LYS 11 17.331 15.014 0.915
100 HB3 LYS 11 3HB LYS 11 15.839 14.470 1.671
101 HG2 LYS 11 2HG LYS 11 18.362 14.320 3.237
102 HG3 LYS 11 3HG LYS 11 17.602 15.894 2.994
103 HD2 LYS 11 2HD LYS 11 15.439 14.611 3.749
104 HD3 LYS 11 3HD LYS 11 16.605 13.507 4.481
105 HE2 LYS 11 2HE LYS 11 17.651 15.523 5.573
106 HE3 LYS 11 3HE LYS 11 16.262 16.452 5.011
107 HZ1 LYS 11 1HZ LYS 11 16.458 14.569 7.187
108 HZ2 LYS 11 2HZ LYS 11 15.094 14.348 6.213
109 HZ3 LYS 11 3HZ LYS 11 15.371 15.844 6.954
110 H LYS 12 H LYS 12 18.917 11.100 1.979
111 HA LYS 12 HA LYS 12 21.159 12.359 0.537
112 HB2 LYS 12 2HB LYS 12 22.438 10.842 2.363
113 HB3 LYS 12 3HB LYS 12 22.020 12.530 2.626
114 HG2 LYS 12 2HG LYS 12 20.043 10.440 3.379
115 HG3 LYS 12 3HG LYS 12 21.455 10.691 4.409
116 HD2 LYS 12 2HD LYS 12 20.127 13.169 3.599
117 HD3 LYS 12 3HD LYS 12 19.106 12.095 4.558
118 HE2 LYS 12 2HE LYS 12 20.125 13.238 6.246
119 HE3 LYS 12 3HE LYS 12 21.297 11.938 6.037
120 HZ1 LYS 12 1HZ LYS 12 21.614 14.413 4.488
121 HZ2 LYS 12 2HZ LYS 12 22.792 13.324 5.022
122 HZ3 LYS 12 3HZ LYS 12 22.077 14.399 6.115
123 H ASN 13 H ASN 13 20.804 9.195 2.106
124 HA ASN 13 HA ASN 13 22.193 7.728 0.233
125 HB2 ASN 13 2HB ASN 13 20.421 7.160 2.453
126 HB3 ASN 13 3HB ASN 13 20.196 5.992 1.154
127 HD21 ASN 13 1HD2 ASN 13 21.478 5.928 3.895
128 HD22 ASN 13 2HD2 ASN 13 23.022 5.206 3.617
129 H MET 14 H MET 14 18.910 8.878 0.111
130 HA MET 14 HA MET 14 17.873 7.184 -1.861
131 HB2 MET 14 2HB MET 14 16.588 8.836 -0.457
132 HB3 MET 14 3HB MET 14 17.194 10.105 -1.512
133 HG2 MET 14 2HG MET 14 15.438 9.761 -2.807
134 HG3 MET 14 3HG MET 14 16.131 8.198 -3.232
135 HE1 MET 14 1HE MET 14 12.623 7.135 -2.994
136 HE2 MET 14 2HE MET 14 14.065 7.504 -3.941
137 HE3 MET 14 3HE MET 14 14.006 6.041 -2.956
138 H ALA 15 H ALA 15 19.364 10.402 -2.218
139 HA ALA 15 HA ALA 15 19.384 10.246 -5.079
140 HB1 ALA 15 1HB ALA 15 20.622 12.165 -3.123
141 HB2 ALA 15 2HB ALA 15 20.823 12.312 -4.870
142 HB3 ALA 15 3HB ALA 15 19.214 12.414 -4.156
143 H HIS 16 H HIS 16 21.140 8.617 -2.864
144 HA HIS 16 HA HIS 16 23.630 8.687 -4.422
145 HB2 HIS 16 2HB HIS 16 23.061 8.471 -1.612
146 HB3 HIS 16 3HB HIS 16 23.959 7.052 -2.142
147 HD1 HIS 16 HD1 HIS 16 24.816 9.802 -0.446
148 HD2 HIS 16 HD2 HIS 16 26.060 8.485 -4.185
149 HE1 HIS 16 HE1 HIS 16 27.035 10.915 -0.846
150 H ILE 17 H ILE 17 20.863 6.800 -3.792
151 HA ILE 17 HA ILE 17 21.741 4.192 -4.029
152 HB ILE 17 HB ILE 17 19.549 3.603 -4.818
153 HG12 ILE 17 2HG1 ILE 17 19.407 6.503 -5.596
154 HG13 ILE 17 3HG1 ILE 17 19.079 5.080 -6.579
155 HG21 ILE 17 1HG2 ILE 17 18.271 4.387 -3.032
156 HG22 ILE 17 2HG2 ILE 17 19.931 4.535 -2.458
157 HG23 ILE 17 3HG2 ILE 17 19.066 5.961 -3.032
158 HD11 ILE 17 1HD1 ILE 17 17.012 6.158 -6.122
159 HD12 ILE 17 2HD1 ILE 17 17.063 4.674 -5.170
160 HD13 ILE 17 3HD1 ILE 17 17.365 6.229 -4.395
161 H ARG 18 H ARG 18 21.141 6.568 -6.572
162 HA ARG 18 HA ARG 18 21.646 4.722 -8.708
163 HB2 ARG 18 2HB ARG 18 21.586 6.730 -10.146
164 HB3 ARG 18 3HB ARG 18 20.188 6.624 -9.084
165 HG2 ARG 18 2HG ARG 18 22.134 8.113 -7.702
166 HG3 ARG 18 3HG ARG 18 22.091 8.732 -9.355
167 HD2 ARG 18 2HD ARG 18 19.492 8.622 -8.978
168 HD3 ARG 18 3HD ARG 18 19.953 8.692 -7.278
169 HE ARG 18 HE ARG 18 21.328 10.721 -8.580
170 HH11 ARG 18 1HH1 ARG 18 18.027 9.845 -7.908
171 HH12 ARG 18 2HH1 ARG 18 17.460 11.482 -7.885
172 HH21 ARG 18 1HH2 ARG 18 20.594 12.880 -8.552
173 HH22 ARG 18 2HH2 ARG 18 18.921 13.208 -8.252
Start of MODEL 7
1 H1 PHE 1 H PHE 1 2.385 -3.779 -3.110
2 HA PHE 1 HA PHE 1 2.640 -1.323 -3.015
3 HB2 PHE 1 2HB PHE 1 3.149 -2.922 -0.518
4 HB3 PHE 1 3HB PHE 1 3.039 -1.165 -0.469
5 HD1 PHE 1 HD1 PHE 1 0.908 -0.160 -1.631
6 HD2 PHE 1 HD2 PHE 1 1.239 -4.160 -0.213
7 HE1 PHE 1 HE1 PHE 1 -1.545 -0.316 -1.509
8 HE2 PHE 1 HE2 PHE 1 -1.213 -4.323 -0.090
9 HZ PHE 1 HZ PHE 1 -2.608 -2.400 -0.739
10 H LEU 2 H LEU 2 4.037 0.307 -1.656
11 HA LEU 2 HA LEU 2 6.812 -0.187 -1.396
12 HB2 LEU 2 2HB LEU 2 7.525 1.370 -3.240
13 HB3 LEU 2 3HB LEU 2 6.947 -0.216 -3.745
14 HG LEU 2 HG LEU 2 4.807 1.731 -3.742
15 HD11 LEU 2 1HD1 LEU 2 6.857 2.321 -5.820
16 HD12 LEU 2 2HD1 LEU 2 6.997 3.085 -4.237
17 HD13 LEU 2 3HD1 LEU 2 5.545 3.329 -5.207
18 HD21 LEU 2 1HD2 LEU 2 4.386 -0.159 -4.976
19 HD22 LEU 2 2HD2 LEU 2 6.035 -0.257 -5.594
20 HD23 LEU 2 3HD2 LEU 2 4.922 0.949 -6.239
21 HA PRO 3 HA PRO 3 5.003 3.549 0.717
22 HB2 PRO 3 2HB PRO 3 5.766 2.808 3.215
23 HB3 PRO 3 3HB PRO 3 4.237 2.300 2.487
24 HG2 PRO 3 2HG PRO 3 6.818 0.800 2.714
25 HG3 PRO 3 3HG PRO 3 5.162 0.224 2.978
26 HD2 PRO 3 2HD PRO 3 6.524 -0.256 0.687
27 HD3 PRO 3 3HD PRO 3 4.761 -0.044 0.724
28 H LYS 4 H LYS 4 6.141 5.269 1.721
29 HA LYS 4 HA LYS 4 9.075 5.040 1.545
30 HB2 LYS 4 2HB LYS 4 8.651 7.705 1.284
31 HB3 LYS 4 3HB LYS 4 8.818 6.597 -0.072
32 HG2 LYS 4 2HG LYS 4 6.569 6.614 -0.541
33 HG3 LYS 4 3HG LYS 4 6.120 7.070 1.104
34 HD2 LYS 4 2HD LYS 4 5.764 8.924 -0.438
35 HD3 LYS 4 3HD LYS 4 7.033 9.313 0.726
36 HE2 LYS 4 2HE LYS 4 8.740 8.921 -0.892
37 HE3 LYS 4 3HE LYS 4 7.583 8.235 -2.032
38 HZ1 LYS 4 1HZ LYS 4 6.489 10.481 -2.020
39 HZ2 LYS 4 2HZ LYS 4 8.014 10.419 -2.749
40 HZ3 LYS 4 3HZ LYS 4 7.846 11.064 -1.194
41 H LEU 5 H LEU 5 7.549 4.460 3.883
42 HA LEU 5 HA LEU 5 7.147 6.395 5.743
43 HB2 LEU 5 2HB LEU 5 7.996 3.591 5.827
44 HB3 LEU 5 3HB LEU 5 8.433 4.524 7.257
45 HG LEU 5 HG LEU 5 6.288 3.279 7.458
46 HD11 LEU 5 1HD1 LEU 5 5.492 6.120 7.581
47 HD12 LEU 5 2HD1 LEU 5 6.950 5.670 8.465
48 HD13 LEU 5 3HD1 LEU 5 5.422 4.862 8.816
49 HD21 LEU 5 1HD2 LEU 5 5.767 3.963 4.944
50 HD22 LEU 5 2HD2 LEU 5 4.943 5.298 5.750
51 HD23 LEU 5 3HD2 LEU 5 4.488 3.632 6.113
52 H PHE 6 H PHE 6 10.257 5.119 4.685
53 HA PHE 6 HA PHE 6 11.572 7.276 6.202
54 HB2 PHE 6 2HB PHE 6 11.948 4.666 6.741
55 HB3 PHE 6 3HB PHE 6 13.160 4.876 5.482
56 HD1 PHE 6 HD1 PHE 6 15.249 5.706 6.023
57 HD2 PHE 6 HD2 PHE 6 11.992 6.368 8.683
58 HE1 PHE 6 HE1 PHE 6 16.798 6.668 7.675
59 HE2 PHE 6 HE2 PHE 6 13.535 7.332 10.338
60 HZ PHE 6 HZ PHE 6 15.941 7.484 9.835
61 H ALA 7 H ALA 7 10.863 6.035 3.184
62 HA ALA 7 HA ALA 7 13.261 6.695 1.788
63 HB1 ALA 7 1HB ALA 7 12.249 5.785 0.009
64 HB2 ALA 7 2HB ALA 7 11.021 5.271 1.167
65 HB3 ALA 7 3HB ALA 7 10.785 6.745 0.228
66 H LYS 8 H LYS 8 10.434 8.462 2.777
67 HA LYS 8 HA LYS 8 11.051 10.726 1.059
68 HB2 LYS 8 2HB LYS 8 9.047 11.749 2.098
69 HB3 LYS 8 3HB LYS 8 8.713 10.184 1.367
70 HG2 LYS 8 2HG LYS 8 7.944 9.394 3.285
71 HG3 LYS 8 3HG LYS 8 9.435 9.838 4.119
72 HD2 LYS 8 2HD LYS 8 8.549 11.738 4.960
73 HD3 LYS 8 3HD LYS 8 7.616 12.071 3.499
74 HE2 LYS 8 2HE LYS 8 6.105 10.160 4.208
75 HE3 LYS 8 3HE LYS 8 6.934 10.211 5.763
76 HZ1 LYS 8 1HZ LYS 8 5.772 11.985 6.375
77 HZ2 LYS 8 2HZ LYS 8 4.772 11.710 5.040
78 HZ3 LYS 8 3HZ LYS 8 6.063 12.797 4.920
79 H ILE 9 H ILE 9 11.322 9.766 4.417
80 HA ILE 9 HA ILE 9 12.012 12.355 5.405
81 HB ILE 9 HB ILE 9 12.356 11.364 7.480
82 HG12 ILE 9 2HG1 ILE 9 12.589 8.693 7.441
83 HG13 ILE 9 3HG1 ILE 9 13.306 9.049 5.873
84 HG21 ILE 9 1HG2 ILE 9 10.349 10.408 7.828
85 HG22 ILE 9 2HG2 ILE 9 10.091 10.782 6.125
86 HG23 ILE 9 3HG2 ILE 9 10.611 9.167 6.603
87 HD11 ILE 9 1HD1 ILE 9 15.184 9.193 7.095
88 HD12 ILE 9 2HD1 ILE 9 14.610 10.834 7.392
89 HD13 ILE 9 3HD1 ILE 9 14.318 9.568 8.584
90 H THR 10 H THR 10 13.760 9.729 3.957
91 HA THR 10 HA THR 10 16.351 10.706 4.803
92 HB THR 10 HB THR 10 17.210 8.913 3.233
93 HG1 THR 10 HG1 THR 10 15.791 8.029 1.949
94 HG21 THR 10 1HG2 THR 10 16.570 7.067 4.722
95 HG22 THR 10 2HG2 THR 10 15.289 8.068 5.407
96 HG23 THR 10 3HG2 THR 10 16.978 8.521 5.632
97 H LYS 11 H LYS 11 17.416 12.275 3.809
98 HA LYS 11 HA LYS 11 16.852 12.776 0.959
99 HB2 LYS 11 2HB LYS 11 17.549 15.170 1.507
100 HB3 LYS 11 3HB LYS 11 15.979 14.643 2.098
101 HG2 LYS 11 2HG LYS 11 18.333 14.359 3.890
102 HG3 LYS 11 3HG LYS 11 17.649 15.966 3.633
103 HD2 LYS 11 2HD LYS 11 15.386 14.797 4.151
104 HD3 LYS 11 3HD LYS 11 16.398 13.548 4.878
105 HE2 LYS 11 2HE LYS 11 17.287 16.134 5.733
106 HE3 LYS 11 3HE LYS 11 15.554 15.981 6.018
107 HZ1 LYS 11 1HZ LYS 11 15.852 14.301 7.505
108 HZ2 LYS 11 2HZ LYS 11 17.294 15.145 7.766
109 HZ3 LYS 11 3HZ LYS 11 17.290 13.755 6.801
110 H LYS 12 H LYS 12 18.986 11.235 2.586
111 HA LYS 12 HA LYS 12 21.366 12.569 1.490
112 HB2 LYS 12 2HB LYS 12 21.824 10.230 3.186
113 HB3 LYS 12 3HB LYS 12 22.528 11.840 3.274
114 HG2 LYS 12 2HG LYS 12 20.301 12.568 4.286
115 HG3 LYS 12 3HG LYS 12 19.974 10.846 4.489
116 HD2 LYS 12 2HD LYS 12 20.925 11.405 6.523
117 HD3 LYS 12 3HD LYS 12 22.315 10.802 5.619
118 HE2 LYS 12 2HE LYS 12 22.592 13.303 4.931
119 HE3 LYS 12 3HE LYS 12 21.597 13.609 6.354
120 HZ1 LYS 12 1HZ LYS 12 23.334 13.269 7.664
121 HZ2 LYS 12 2HZ LYS 12 24.318 13.184 6.291
122 HZ3 LYS 12 3HZ LYS 12 23.670 11.770 6.955
123 H ASN 13 H ASN 13 20.511 9.169 2.135
124 HA ASN 13 HA ASN 13 22.069 8.146 0.031
125 HB2 ASN 13 2HB ASN 13 20.323 7.108 2.068
126 HB3 ASN 13 3HB ASN 13 19.980 6.311 0.535
127 HD21 ASN 13 1HD2 ASN 13 22.078 6.535 3.183
128 HD22 ASN 13 2HD2 ASN 13 23.282 5.426 2.631
129 H MET 14 H MET 14 18.994 9.634 0.041
130 HA MET 14 HA MET 14 17.742 8.399 -2.132
131 HB2 MET 14 2HB MET 14 16.723 10.068 -0.540
132 HB3 MET 14 3HB MET 14 17.558 11.331 -1.435
133 HG2 MET 14 2HG MET 14 15.807 11.443 -2.776
134 HG3 MET 14 3HG MET 14 16.223 9.836 -3.367
135 HE1 MET 14 1HE MET 14 14.635 8.277 -3.652
136 HE2 MET 14 2HE MET 14 13.078 8.100 -2.842
137 HE3 MET 14 3HE MET 14 13.363 9.471 -3.915
138 H ALA 15 H ALA 15 19.763 11.336 -2.086
139 HA ALA 15 HA ALA 15 19.830 11.519 -4.945
140 HB1 ALA 15 1HB ALA 15 20.781 13.091 -2.684
141 HB2 ALA 15 2HB ALA 15 21.897 13.089 -4.050
142 HB3 ALA 15 3HB ALA 15 20.228 13.612 -4.275
143 H HIS 16 H HIS 16 21.233 9.368 -2.933
144 HA HIS 16 HA HIS 16 23.739 9.200 -4.458
145 HB2 HIS 16 2HB HIS 16 23.071 8.757 -1.697
146 HB3 HIS 16 3HB HIS 16 23.734 7.279 -2.387
147 HD1 HIS 16 HD1 HIS 16 26.136 7.636 -3.641
148 HD2 HIS 16 HD2 HIS 16 24.947 10.570 -0.950
149 HE1 HIS 16 HE1 HIS 16 28.228 8.906 -3.063
150 H ILE 17 H ILE 17 20.682 7.745 -4.071
151 HA ILE 17 HA ILE 17 21.119 5.072 -4.612
152 HB ILE 17 HB ILE 17 18.880 4.956 -5.478
153 HG12 ILE 17 2HG1 ILE 17 19.242 7.909 -5.906
154 HG13 ILE 17 3HG1 ILE 17 18.707 6.685 -7.053
155 HG21 ILE 17 1HG2 ILE 17 17.708 5.726 -3.617
156 HG22 ILE 17 2HG2 ILE 17 19.356 5.535 -3.021
157 HG23 ILE 17 3HG2 ILE 17 18.746 7.138 -3.429
158 HD11 ILE 17 1HD1 ILE 17 16.838 8.035 -6.482
159 HD12 ILE 17 2HD1 ILE 17 16.617 6.462 -5.714
160 HD13 ILE 17 3HD1 ILE 17 17.153 7.843 -4.758
161 H ARG 18 H ARG 18 20.987 7.796 -6.858
162 HA ARG 18 HA ARG 18 21.528 8.000 -9.059
163 HB2 ARG 18 2HB ARG 18 23.647 6.867 -7.866
164 HB3 ARG 18 3HB ARG 18 23.253 5.584 -9.002
165 HG2 ARG 18 2HG ARG 18 23.305 7.334 -10.815
166 HG3 ARG 18 3HG ARG 18 23.990 8.430 -9.614
167 HD2 ARG 18 2HD ARG 18 25.266 5.775 -9.871
168 HD3 ARG 18 3HD ARG 18 25.481 6.887 -11.222
169 HE ARG 18 HE ARG 18 26.682 7.072 -8.634
170 HH11 ARG 18 1HH1 ARG 18 25.560 8.917 -11.364
171 HH12 ARG 18 2HH1 ARG 18 26.621 10.254 -11.062
172 HH21 ARG 18 1HH2 ARG 18 28.083 8.825 -8.226
173 HH22 ARG 18 2HH2 ARG 18 28.056 10.200 -9.277
Start of MODEL 8
1 H1 PHE 1 H PHE 1 1.536 -1.625 -0.322
2 HA PHE 1 HA PHE 1 1.160 0.655 -1.380
3 HB2 PHE 1 2HB PHE 1 -0.010 -0.424 0.818
4 HB3 PHE 1 3HB PHE 1 0.652 1.056 1.503
5 HD1 PHE 1 HD1 PHE 1 -1.959 -0.392 -0.472
6 HD2 PHE 1 HD2 PHE 1 0.030 3.258 0.442
7 HE1 PHE 1 HE1 PHE 1 -3.871 0.870 -1.369
8 HE2 PHE 1 HE2 PHE 1 -1.879 4.526 -0.451
9 HZ PHE 1 HZ PHE 1 -3.833 3.333 -1.358
10 H LEU 2 H LEU 2 3.485 0.317 1.207
11 HA LEU 2 HA LEU 2 4.409 3.061 0.664
12 HB2 LEU 2 2HB LEU 2 4.549 1.597 3.295
13 HB3 LEU 2 3HB LEU 2 5.133 3.229 2.978
14 HG LEU 2 HG LEU 2 2.278 2.800 2.414
15 HD11 LEU 2 1HD1 LEU 2 1.758 1.799 4.327
16 HD12 LEU 2 2HD1 LEU 2 2.285 3.266 5.152
17 HD13 LEU 2 3HD1 LEU 2 3.413 1.930 4.923
18 HD21 LEU 2 1HD2 LEU 2 3.017 5.002 2.245
19 HD22 LEU 2 2HD2 LEU 2 4.011 4.883 3.697
20 HD23 LEU 2 3HD2 LEU 2 2.253 4.943 3.834
21 HA PRO 3 HA PRO 3 7.762 -0.040 -0.274
22 HB2 PRO 3 2HB PRO 3 8.368 0.983 -2.714
23 HB3 PRO 3 3HB PRO 3 7.113 -0.238 -2.469
24 HG2 PRO 3 2HG PRO 3 6.836 2.726 -2.790
25 HG3 PRO 3 3HG PRO 3 5.863 1.427 -3.505
26 HD2 PRO 3 2HD PRO 3 5.048 2.839 -1.342
27 HD3 PRO 3 3HD PRO 3 4.620 1.133 -1.586
28 H LYS 4 H LYS 4 7.436 3.385 -0.134
29 HA LYS 4 HA LYS 4 10.354 3.661 0.180
30 HB2 LYS 4 2HB LYS 4 9.546 6.206 -0.284
31 HB3 LYS 4 3HB LYS 4 10.118 5.112 -1.536
32 HG2 LYS 4 2HG LYS 4 8.008 4.734 -2.364
33 HG3 LYS 4 3HG LYS 4 7.220 5.141 -0.837
34 HD2 LYS 4 2HD LYS 4 6.825 6.873 -2.505
35 HD3 LYS 4 3HD LYS 4 7.799 7.499 -1.173
36 HE2 LYS 4 2HE LYS 4 9.505 7.973 -2.529
37 HE3 LYS 4 3HE LYS 4 9.442 6.379 -3.281
38 HZ1 LYS 4 1HZ LYS 4 7.242 7.894 -4.154
39 HZ2 LYS 4 2HZ LYS 4 8.526 7.277 -5.066
40 HZ3 LYS 4 3HZ LYS 4 8.646 8.814 -4.370
41 H LEU 5 H LEU 5 8.572 2.881 2.266
42 HA LEU 5 HA LEU 5 7.548 4.763 3.933
43 HB2 LEU 5 2HB LEU 5 8.586 2.107 4.206
44 HB3 LEU 5 3HB LEU 5 9.042 3.066 5.612
45 HG LEU 5 HG LEU 5 6.210 2.764 4.624
46 HD11 LEU 5 1HD1 LEU 5 6.186 1.393 6.887
47 HD12 LEU 5 2HD1 LEU 5 7.863 1.094 6.435
48 HD13 LEU 5 3HD1 LEU 5 6.560 0.633 5.340
49 HD21 LEU 5 1HD2 LEU 5 7.457 3.972 7.080
50 HD22 LEU 5 2HD2 LEU 5 5.751 3.534 6.990
51 HD23 LEU 5 3HD2 LEU 5 6.410 4.747 5.891
52 H PHE 6 H PHE 6 10.958 4.013 3.458
53 HA PHE 6 HA PHE 6 11.627 6.392 5.063
54 HB2 PHE 6 2HB PHE 6 12.331 3.900 5.784
55 HB3 PHE 6 3HB PHE 6 13.683 4.279 4.722
56 HD1 PHE 6 HD1 PHE 6 15.493 5.463 5.538
57 HD2 PHE 6 HD2 PHE 6 11.785 5.628 7.621
58 HE1 PHE 6 HE1 PHE 6 16.577 6.711 7.361
59 HE2 PHE 6 HE2 PHE 6 12.862 6.877 9.447
60 HZ PHE 6 HZ PHE 6 15.261 7.421 9.318
61 H ALA 7 H ALA 7 11.651 4.986 2.033
62 HA ALA 7 HA ALA 7 14.104 6.020 1.012
63 HB1 ALA 7 1HB ALA 7 11.950 5.613 -0.928
64 HB2 ALA 7 2HB ALA 7 13.569 4.914 -0.862
65 HB3 ALA 7 3HB ALA 7 12.268 4.221 0.107
66 H LYS 8 H LYS 8 10.896 7.293 1.439
67 HA LYS 8 HA LYS 8 11.407 9.594 -0.263
68 HB2 LYS 8 2HB LYS 8 9.117 10.279 0.388
69 HB3 LYS 8 3HB LYS 8 9.173 8.664 -0.307
70 HG2 LYS 8 2HG LYS 8 8.238 7.797 1.501
71 HG3 LYS 8 3HG LYS 8 9.474 8.511 2.539
72 HD2 LYS 8 2HD LYS 8 7.471 9.424 3.327
73 HD3 LYS 8 3HD LYS 8 8.143 10.690 2.296
74 HE2 LYS 8 2HE LYS 8 6.257 8.683 1.140
75 HE3 LYS 8 3HE LYS 8 5.624 10.021 2.097
76 HZ1 LYS 8 1HZ LYS 8 7.261 11.328 0.472
77 HZ2 LYS 8 2HZ LYS 8 5.636 11.039 0.104
78 HZ3 LYS 8 3HZ LYS 8 6.840 10.042 -0.543
79 H ILE 9 H ILE 9 11.275 8.765 3.137
80 HA ILE 9 HA ILE 9 11.352 11.456 4.094
81 HB ILE 9 HB ILE 9 11.499 10.584 6.243
82 HG12 ILE 9 2HG1 ILE 9 12.180 7.993 6.377
83 HG13 ILE 9 3HG1 ILE 9 13.082 8.435 4.931
84 HG21 ILE 9 1HG2 ILE 9 10.322 8.098 5.202
85 HG22 ILE 9 2HG2 ILE 9 9.655 9.295 6.311
86 HG23 ILE 9 3HG2 ILE 9 9.623 9.590 4.573
87 HD11 ILE 9 1HD1 ILE 9 14.680 8.955 6.411
88 HD12 ILE 9 2HD1 ILE 9 13.768 10.456 6.578
89 HD13 ILE 9 3HD1 ILE 9 13.536 9.149 7.739
90 H THR 10 H THR 10 13.724 9.137 3.074
91 HA THR 10 HA THR 10 15.942 10.554 4.280
92 HB THR 10 HB THR 10 17.331 8.906 2.944
93 HG1 THR 10 HG1 THR 10 15.895 7.030 2.304
94 HG21 THR 10 1HG2 THR 10 15.252 7.790 4.830
95 HG22 THR 10 2HG2 THR 10 16.787 8.525 5.293
96 HG23 THR 10 3HG2 THR 10 16.770 7.006 4.397
97 H LYS 11 H LYS 11 16.871 12.272 3.403
98 HA LYS 11 HA LYS 11 16.738 12.610 0.478
99 HB2 LYS 11 2HB LYS 11 16.761 15.061 0.893
100 HB3 LYS 11 3HB LYS 11 15.324 14.264 1.519
101 HG2 LYS 11 2HG LYS 11 15.747 15.424 3.379
102 HG3 LYS 11 3HG LYS 11 16.967 14.185 3.684
103 HD2 LYS 11 2HD LYS 11 18.707 15.546 2.916
104 HD3 LYS 11 3HD LYS 11 17.604 16.633 2.069
105 HE2 LYS 11 2HE LYS 11 16.773 16.771 4.702
106 HE3 LYS 11 3HE LYS 11 18.530 16.685 4.825
107 HZ1 LYS 11 1HZ LYS 11 18.601 18.525 3.163
108 HZ2 LYS 11 2HZ LYS 11 17.939 18.956 4.658
109 HZ3 LYS 11 3HZ LYS 11 16.925 18.682 3.332
110 H LYS 12 H LYS 12 18.793 11.445 2.398
111 HA LYS 12 HA LYS 12 21.059 13.120 1.532
112 HB2 LYS 12 2HB LYS 12 22.131 11.730 3.579
113 HB3 LYS 12 3HB LYS 12 21.388 13.313 3.766
114 HG2 LYS 12 2HG LYS 12 19.671 10.897 4.009
115 HG3 LYS 12 3HG LYS 12 20.753 11.314 5.340
116 HD2 LYS 12 2HD LYS 12 19.241 13.586 4.283
117 HD3 LYS 12 3HD LYS 12 18.230 12.314 4.974
118 HE2 LYS 12 2HE LYS 12 20.605 13.053 6.552
119 HE3 LYS 12 3HE LYS 12 19.371 14.303 6.409
120 HZ1 LYS 12 1HZ LYS 12 18.988 12.926 8.346
121 HZ2 LYS 12 2HZ LYS 12 18.931 11.533 7.387
122 HZ3 LYS 12 3HZ LYS 12 17.733 12.717 7.230
123 H ASN 13 H ASN 13 20.899 9.861 2.927
124 HA ASN 13 HA ASN 13 22.895 8.741 1.390
125 HB2 ASN 13 2HB ASN 13 20.818 7.779 3.161
126 HB3 ASN 13 3HB ASN 13 21.070 6.658 1.827
127 HD21 ASN 13 1HD2 ASN 13 21.708 6.533 4.734
128 HD22 ASN 13 2HD2 ASN 13 23.388 6.133 4.801
129 H MET 14 H MET 14 19.578 9.362 0.555
130 HA MET 14 HA MET 14 19.274 7.615 -1.609
131 HB2 MET 14 2HB MET 14 17.473 8.998 -0.515
132 HB3 MET 14 3HB MET 14 18.089 10.385 -1.402
133 HG2 MET 14 2HG MET 14 16.736 9.833 -3.058
134 HG3 MET 14 3HG MET 14 17.736 8.406 -3.324
135 HE1 MET 14 1HE MET 14 17.319 6.404 -1.161
136 HE2 MET 14 2HE MET 14 15.842 5.558 -1.621
137 HE3 MET 14 3HE MET 14 17.024 6.003 -2.853
138 H ALA 15 H ALA 15 20.288 11.034 -1.607
139 HA ALA 15 HA ALA 15 20.955 10.996 -4.394
140 HB1 ALA 15 1HB ALA 15 21.897 13.066 -2.437
141 HB2 ALA 15 2HB ALA 15 21.527 13.250 -4.152
142 HB3 ALA 15 3HB ALA 15 20.223 13.008 -2.990
143 H HIS 16 H HIS 16 22.418 9.565 -1.853
144 HA HIS 16 HA HIS 16 25.146 10.072 -2.820
145 HB2 HIS 16 2HB HIS 16 24.018 9.664 -0.207
146 HB3 HIS 16 3HB HIS 16 25.221 8.418 -0.531
147 HD1 HIS 16 HD1 HIS 16 24.984 11.642 0.890
148 HD2 HIS 16 HD2 HIS 16 27.731 9.785 -1.614
149 HE1 HIS 16 HE1 HIS 16 27.103 12.979 1.107
150 H ILE 17 H ILE 17 22.637 7.766 -2.827
151 HA ILE 17 HA ILE 17 23.942 5.332 -2.876
152 HB ILE 17 HB ILE 17 22.094 4.449 -4.135
153 HG12 ILE 17 2HG1 ILE 17 21.676 7.322 -4.911
154 HG13 ILE 17 3HG1 ILE 17 21.796 5.906 -5.949
155 HG21 ILE 17 1HG2 ILE 17 21.803 5.339 -1.743
156 HG22 ILE 17 2HG2 ILE 17 20.871 6.635 -2.491
157 HG23 ILE 17 3HG2 ILE 17 20.352 4.960 -2.672
158 HD11 ILE 17 1HD1 ILE 17 19.488 6.695 -4.195
159 HD12 ILE 17 2HD1 ILE 17 19.537 6.637 -5.957
160 HD13 ILE 17 3HD1 ILE 17 19.611 5.143 -5.023
161 H ARG 18 H ARG 18 23.549 7.687 -5.478
162 HA ARG 18 HA ARG 18 24.649 6.081 -7.532
163 HB2 ARG 18 2HB ARG 18 24.311 9.061 -7.226
164 HB3 ARG 18 3HB ARG 18 25.016 8.337 -8.665
165 HG2 ARG 18 2HG ARG 18 23.016 7.308 -9.276
166 HG3 ARG 18 3HG ARG 18 22.325 7.489 -7.662
167 HD2 ARG 18 2HD ARG 18 21.348 9.364 -8.342
168 HD3 ARG 18 3HD ARG 18 22.947 10.081 -8.540
169 HE ARG 18 HE ARG 18 22.713 9.881 -10.806
170 HH11 ARG 18 1HH1 ARG 18 20.352 7.860 -9.238
171 HH12 ARG 18 2HH1 ARG 18 19.524 7.463 -10.708
172 HH21 ARG 18 1HH2 ARG 18 21.632 9.366 -12.748
173 HH22 ARG 18 2HH2 ARG 18 20.254 8.320 -12.703
Start of MODEL 9
1 H1 PHE 1 H PHE 1 -0.360 2.240 3.447
2 HA PHE 1 HA PHE 1 1.872 2.714 3.845
3 HB2 PHE 1 2HB PHE 1 2.469 -0.132 3.018
4 HB3 PHE 1 3HB PHE 1 3.576 0.995 3.794
5 HD1 PHE 1 HD1 PHE 1 1.929 -1.847 4.432
6 HD2 PHE 1 HD2 PHE 1 2.194 2.103 5.994
7 HE1 PHE 1 HE1 PHE 1 1.215 -2.675 6.637
8 HE2 PHE 1 HE2 PHE 1 1.482 1.282 8.201
9 HZ PHE 1 HZ PHE 1 0.992 -1.110 8.525
10 H LEU 2 H LEU 2 4.040 2.389 2.368
11 HA LEU 2 HA LEU 2 3.280 2.450 -0.454
12 HB2 LEU 2 2HB LEU 2 4.861 4.540 -0.558
13 HB3 LEU 2 3HB LEU 2 3.146 4.709 -0.193
14 HG LEU 2 HG LEU 2 5.052 4.452 2.079
15 HD11 LEU 2 1HD1 LEU 2 5.696 6.714 2.035
16 HD12 LEU 2 2HD1 LEU 2 4.578 7.092 0.726
17 HD13 LEU 2 3HD1 LEU 2 6.004 6.105 0.409
18 HD21 LEU 2 1HD2 LEU 2 2.338 5.472 1.544
19 HD22 LEU 2 2HD2 LEU 2 3.299 6.401 2.695
20 HD23 LEU 2 3HD2 LEU 2 2.996 4.686 2.979
21 HA PRO 3 HA PRO 3 7.127 0.462 -1.159
22 HB2 PRO 3 2HB PRO 3 7.891 1.511 -3.544
23 HB3 PRO 3 3HB PRO 3 6.557 0.362 -3.383
24 HG2 PRO 3 2HG PRO 3 6.469 3.344 -3.629
25 HG3 PRO 3 3HG PRO 3 5.450 2.126 -4.418
26 HD2 PRO 3 2HD PRO 3 4.633 3.526 -2.249
27 HD3 PRO 3 3HD PRO 3 4.115 1.857 -2.558
28 H LYS 4 H LYS 4 6.996 3.891 -0.915
29 HA LYS 4 HA LYS 4 9.912 3.986 -0.494
30 HB2 LYS 4 2HB LYS 4 9.268 6.587 -0.894
31 HB3 LYS 4 3HB LYS 4 9.819 5.504 -2.166
32 HG2 LYS 4 2HG LYS 4 7.722 5.280 -3.075
33 HG3 LYS 4 3HG LYS 4 6.906 5.679 -1.561
34 HD2 LYS 4 2HD LYS 4 6.669 7.488 -3.177
35 HD3 LYS 4 3HD LYS 4 7.628 8.009 -1.790
36 HE2 LYS 4 2HE LYS 4 9.331 8.530 -3.119
37 HE3 LYS 4 3HE LYS 4 9.358 6.895 -3.777
38 HZ1 LYS 4 1HZ LYS 4 8.683 7.768 -5.682
39 HZ2 LYS 4 2HZ LYS 4 8.442 9.291 -4.985
40 HZ3 LYS 4 3HZ LYS 4 7.201 8.141 -4.955
41 H LEU 5 H LEU 5 8.014 3.242 1.501
42 HA LEU 5 HA LEU 5 7.041 5.124 3.199
43 HB2 LEU 5 2HB LEU 5 7.943 2.404 3.422
44 HB3 LEU 5 3HB LEU 5 8.352 3.302 4.882
45 HG LEU 5 HG LEU 5 5.583 3.052 3.708
46 HD11 LEU 5 1HD1 LEU 5 6.681 0.975 4.729
47 HD12 LEU 5 2HD1 LEU 5 5.099 1.458 5.340
48 HD13 LEU 5 3HD1 LEU 5 6.552 1.828 6.268
49 HD21 LEU 5 1HD2 LEU 5 6.757 4.707 5.826
50 HD22 LEU 5 2HD2 LEU 5 5.302 3.829 6.298
51 HD23 LEU 5 3HD2 LEU 5 5.264 4.920 4.911
52 H PHE 6 H PHE 6 10.417 4.191 2.813
53 HA PHE 6 HA PHE 6 11.164 6.471 4.523
54 HB2 PHE 6 2HB PHE 6 11.698 3.919 5.178
55 HB3 PHE 6 3HB PHE 6 13.106 4.254 4.175
56 HD1 PHE 6 HD1 PHE 6 14.951 5.300 5.093
57 HD2 PHE 6 HD2 PHE 6 11.187 5.614 7.056
58 HE1 PHE 6 HE1 PHE 6 16.040 6.420 6.995
59 HE2 PHE 6 HE2 PHE 6 12.270 6.735 8.960
60 HZ PHE 6 HZ PHE 6 14.699 7.140 8.931
61 H ALA 7 H ALA 7 11.214 5.170 1.447
62 HA ALA 7 HA ALA 7 13.758 6.094 0.547
63 HB1 ALA 7 1HB ALA 7 13.228 5.086 -1.383
64 HB2 ALA 7 2HB ALA 7 11.857 4.435 -0.484
65 HB3 ALA 7 3HB ALA 7 11.654 5.878 -1.477
66 H LYS 8 H LYS 8 10.614 7.536 0.911
67 HA LYS 8 HA LYS 8 11.316 9.860 -0.689
68 HB2 LYS 8 2HB LYS 8 9.048 10.655 -0.090
69 HB3 LYS 8 3HB LYS 8 9.035 9.064 -0.840
70 HG2 LYS 8 2HG LYS 8 7.991 8.191 0.904
71 HG3 LYS 8 3HG LYS 8 9.227 8.799 2.008
72 HD2 LYS 8 2HD LYS 8 7.248 9.797 2.756
73 HD3 LYS 8 3HD LYS 8 8.030 11.057 1.800
74 HE2 LYS 8 2HE LYS 8 6.514 10.871 0.073
75 HE3 LYS 8 3HE LYS 8 6.092 9.209 0.482
76 HZ1 LYS 8 1HZ LYS 8 5.119 11.716 1.661
77 HZ2 LYS 8 2HZ LYS 8 5.162 10.325 2.622
78 HZ3 LYS 8 3HZ LYS 8 4.252 10.340 1.196
79 H ILE 9 H ILE 9 11.018 8.925 2.672
80 HA ILE 9 HA ILE 9 11.215 11.572 3.728
81 HB ILE 9 HB ILE 9 11.237 10.621 5.848
82 HG12 ILE 9 2HG1 ILE 9 11.763 7.992 5.911
83 HG13 ILE 9 3HG1 ILE 9 12.739 8.429 4.513
84 HG21 ILE 9 1HG2 ILE 9 9.319 9.442 5.808
85 HG22 ILE 9 2HG2 ILE 9 9.367 9.796 4.082
86 HG23 ILE 9 3HG2 ILE 9 9.956 8.245 4.680
87 HD11 ILE 9 1HD1 ILE 9 13.403 10.358 6.343
88 HD12 ILE 9 2HD1 ILE 9 13.197 8.917 7.338
89 HD13 ILE 9 3HD1 ILE 9 14.331 8.902 5.988
90 H THR 10 H THR 10 13.485 9.156 2.703
91 HA THR 10 HA THR 10 15.737 10.403 4.031
92 HB THR 10 HB THR 10 17.076 8.718 2.691
93 HG1 THR 10 HG1 THR 10 15.472 6.944 1.996
94 HG21 THR 10 1HG2 THR 10 14.869 7.662 4.464
95 HG22 THR 10 2HG2 THR 10 16.420 8.300 5.008
96 HG23 THR 10 3HG2 THR 10 16.360 6.813 4.063
97 H LYS 11 H LYS 11 16.788 12.092 3.241
98 HA LYS 11 HA LYS 11 16.782 12.522 0.325
99 HB2 LYS 11 2HB LYS 11 17.015 14.979 0.909
100 HB3 LYS 11 3HB LYS 11 15.448 14.252 1.238
101 HG2 LYS 11 2HG LYS 11 17.467 14.325 3.420
102 HG3 LYS 11 3HG LYS 11 16.625 15.815 2.987
103 HD2 LYS 11 2HD LYS 11 14.499 14.281 3.134
104 HD3 LYS 11 3HD LYS 11 15.546 13.286 4.149
105 HE2 LYS 11 2HE LYS 11 15.509 14.763 5.846
106 HE3 LYS 11 3HE LYS 11 15.598 16.155 4.768
107 HZ1 LYS 11 1HZ LYS 11 13.163 14.567 5.374
108 HZ2 LYS 11 2HZ LYS 11 13.233 15.858 4.284
109 HZ3 LYS 11 3HZ LYS 11 13.502 16.128 5.932
110 H LYS 12 H LYS 12 18.694 11.227 2.347
111 HA LYS 12 HA LYS 12 21.081 12.768 1.562
112 HB2 LYS 12 2HB LYS 12 21.993 11.339 3.658
113 HB3 LYS 12 3HB LYS 12 21.332 12.962 3.806
114 HG2 LYS 12 2HG LYS 12 19.476 10.646 3.995
115 HG3 LYS 12 3HG LYS 12 20.526 11.014 5.365
116 HD2 LYS 12 2HD LYS 12 19.221 13.376 4.266
117 HD3 LYS 12 3HD LYS 12 18.075 12.164 4.844
118 HE2 LYS 12 2HE LYS 12 18.455 13.399 6.753
119 HE3 LYS 12 3HE LYS 12 19.627 12.095 6.934
120 HZ1 LYS 12 1HZ LYS 12 20.086 14.875 6.767
121 HZ2 LYS 12 2HZ LYS 12 20.884 14.099 5.494
122 HZ3 LYS 12 3HZ LYS 12 21.190 13.635 7.092
123 H ASN 13 H ASN 13 20.683 9.533 2.967
124 HA ASN 13 HA ASN 13 22.676 8.290 1.529
125 HB2 ASN 13 2HB ASN 13 20.563 7.484 3.274
126 HB3 ASN 13 3HB ASN 13 20.597 6.381 1.901
127 HD21 ASN 13 1HD2 ASN 13 22.024 7.253 4.834
128 HD22 ASN 13 2HD2 ASN 13 23.371 6.172 4.783
129 H MET 14 H MET 14 19.435 9.080 0.537
130 HA MET 14 HA MET 14 19.157 7.351 -1.646
131 HB2 MET 14 2HB MET 14 17.367 8.806 -0.631
132 HB3 MET 14 3HB MET 14 18.084 10.169 -1.481
133 HG2 MET 14 2HG MET 14 16.784 9.680 -3.200
134 HG3 MET 14 3HG MET 14 17.738 8.217 -3.430
135 HE1 MET 14 1HE MET 14 17.104 5.997 -1.655
136 HE2 MET 14 2HE MET 14 15.579 5.380 -2.293
137 HE3 MET 14 3HE MET 14 16.826 5.961 -3.397
138 H ALA 15 H ALA 15 20.314 10.723 -1.580
139 HA ALA 15 HA ALA 15 21.110 10.666 -4.332
140 HB1 ALA 15 1HB ALA 15 22.410 12.817 -3.265
141 HB2 ALA 15 2HB ALA 15 20.763 12.834 -3.895
142 HB3 ALA 15 3HB ALA 15 21.044 12.630 -2.166
143 H HIS 16 H HIS 16 22.390 9.164 -1.733
144 HA HIS 16 HA HIS 16 25.179 9.556 -2.568
145 HB2 HIS 16 2HB HIS 16 23.912 9.184 -0.014
146 HB3 HIS 16 3HB HIS 16 25.075 7.890 -0.289
147 HD1 HIS 16 HD1 HIS 16 27.519 8.949 -1.227
148 HD2 HIS 16 HD2 HIS 16 25.066 11.330 1.134
149 HE1 HIS 16 HE1 HIS 16 29.016 10.744 -0.300
150 H ILE 17 H ILE 17 22.577 7.360 -2.708
151 HA ILE 17 HA ILE 17 23.776 4.872 -2.711
152 HB ILE 17 HB ILE 17 21.953 4.076 -4.061
153 HG12 ILE 17 2HG1 ILE 17 21.695 6.968 -4.837
154 HG13 ILE 17 3HG1 ILE 17 21.802 5.551 -5.877
155 HG21 ILE 17 1HG2 ILE 17 20.168 4.655 -2.678
156 HG22 ILE 17 2HG2 ILE 17 21.588 4.964 -1.680
157 HG23 ILE 17 3HG2 ILE 17 20.750 6.305 -2.460
158 HD11 ILE 17 1HD1 ILE 17 19.545 4.882 -5.063
159 HD12 ILE 17 2HD1 ILE 17 19.452 6.433 -4.227
160 HD13 ILE 17 3HD1 ILE 17 19.581 6.385 -5.985
161 H ARG 18 H ARG 18 23.606 7.254 -5.313
162 HA ARG 18 HA ARG 18 24.889 5.539 -7.229
163 HB2 ARG 18 2HB ARG 18 23.266 7.446 -7.736
164 HB3 ARG 18 3HB ARG 18 24.613 8.533 -7.424
165 HG2 ARG 18 2HG ARG 18 25.758 7.876 -9.309
166 HG3 ARG 18 3HG ARG 18 24.939 6.315 -9.390
167 HD2 ARG 18 2HD ARG 18 24.067 7.603 -11.167
168 HD3 ARG 18 3HD ARG 18 22.826 7.595 -9.915
169 HE ARG 18 HE ARG 18 24.485 9.855 -9.609
170 HH11 ARG 18 1HH1 ARG 18 21.992 8.571 -11.672
171 HH12 ARG 18 2HH1 ARG 18 21.403 10.129 -12.149
172 HH21 ARG 18 1HH2 ARG 18 23.718 11.912 -10.229
173 HH22 ARG 18 2HH2 ARG 18 22.385 12.028 -11.328
Start of MODEL 10
1 H1 PHE 1 H PHE 1 1.178 -0.816 -4.345
2 HA PHE 1 HA PHE 1 1.260 0.483 -2.475
3 HB2 PHE 1 2HB PHE 1 2.643 -1.985 -1.493
4 HB3 PHE 1 3HB PHE 1 2.663 -0.531 -0.501
5 HD1 PHE 1 HD1 PHE 1 0.303 -2.746 -2.342
6 HD2 PHE 1 HD2 PHE 1 0.928 -0.142 0.966
7 HE1 PHE 1 HE1 PHE 1 -1.930 -3.312 -1.479
8 HE2 PHE 1 HE2 PHE 1 -1.304 -0.705 1.835
9 HZ PHE 1 HZ PHE 1 -2.736 -2.292 0.613
10 H LEU 2 H LEU 2 2.697 1.945 -1.332
11 HA LEU 2 HA LEU 2 5.412 2.052 -2.461
12 HB2 LEU 2 2HB LEU 2 3.310 4.170 -2.379
13 HB3 LEU 2 3HB LEU 2 5.009 4.629 -2.282
14 HG LEU 2 HG LEU 2 4.364 2.824 -4.505
15 HD11 LEU 2 1HD1 LEU 2 3.482 5.649 -4.861
16 HD12 LEU 2 2HD1 LEU 2 2.363 4.473 -4.172
17 HD13 LEU 2 3HD1 LEU 2 3.045 4.206 -5.777
18 HD21 LEU 2 1HD2 LEU 2 5.972 4.059 -5.615
19 HD22 LEU 2 2HD2 LEU 2 6.513 4.168 -3.940
20 HD23 LEU 2 3HD2 LEU 2 5.650 5.518 -4.677
21 HA PRO 3 HA PRO 3 5.459 2.336 2.184
22 HB2 PRO 3 2HB PRO 3 7.416 0.484 2.517
23 HB3 PRO 3 3HB PRO 3 5.703 0.062 2.413
24 HG2 PRO 3 2HG PRO 3 7.815 -0.055 0.295
25 HG3 PRO 3 3HG PRO 3 6.546 -1.234 0.676
26 HD2 PRO 3 2HD PRO 3 6.340 0.516 -1.381
27 HD3 PRO 3 3HD PRO 3 4.930 -0.049 -0.462
28 H LYS 4 H LYS 4 6.344 4.437 1.946
29 HA LYS 4 HA LYS 4 9.285 4.498 1.754
30 HB2 LYS 4 2HB LYS 4 8.588 7.071 1.266
31 HB3 LYS 4 3HB LYS 4 8.861 5.870 0.010
32 HG2 LYS 4 2HG LYS 4 6.620 5.618 -0.430
33 HG3 LYS 4 3HG LYS 4 6.134 6.165 1.176
34 HD2 LYS 4 2HD LYS 4 5.581 7.834 -0.511
35 HD3 LYS 4 3HD LYS 4 6.810 8.449 0.597
36 HE2 LYS 4 2HE LYS 4 8.359 8.610 -1.022
37 HE3 LYS 4 3HE LYS 4 7.885 7.080 -1.760
38 HZ1 LYS 4 1HZ LYS 4 5.944 9.182 -2.083
39 HZ2 LYS 4 2HZ LYS 4 6.580 8.112 -3.228
40 HZ3 LYS 4 3HZ LYS 4 7.430 9.517 -2.819
41 H LEU 5 H LEU 5 7.846 3.969 4.154
42 HA LEU 5 HA LEU 5 7.249 6.012 5.842
43 HB2 LEU 5 2HB LEU 5 8.444 4.544 7.627
44 HB3 LEU 5 3HB LEU 5 7.004 3.947 6.804
45 HG LEU 5 HG LEU 5 9.520 3.201 5.501
46 HD11 LEU 5 1HD1 LEU 5 10.484 2.940 7.595
47 HD12 LEU 5 2HD1 LEU 5 9.811 1.344 7.265
48 HD13 LEU 5 3HD1 LEU 5 8.964 2.451 8.346
49 HD21 LEU 5 1HD2 LEU 5 7.448 1.312 6.512
50 HD22 LEU 5 2HD2 LEU 5 8.376 1.273 5.012
51 HD23 LEU 5 3HD2 LEU 5 7.038 2.408 5.193
52 H PHE 6 H PHE 6 10.466 4.973 4.852
53 HA PHE 6 HA PHE 6 11.564 7.370 6.169
54 HB2 PHE 6 2HB PHE 6 12.208 4.871 6.919
55 HB3 PHE 6 3HB PHE 6 13.378 5.084 5.620
56 HD1 PHE 6 HD1 PHE 6 15.380 6.161 6.038
57 HD2 PHE 6 HD2 PHE 6 12.114 6.729 8.707
58 HE1 PHE 6 HE1 PHE 6 16.850 7.410 7.566
59 HE2 PHE 6 HE2 PHE 6 13.577 7.979 10.238
60 HZ PHE 6 HZ PHE 6 15.949 8.323 9.669
61 H ALA 7 H ALA 7 10.970 5.815 3.272
62 HA ALA 7 HA ALA 7 13.276 6.602 1.791
63 HB1 ALA 7 1HB ALA 7 12.354 5.447 0.109
64 HB2 ALA 7 2HB ALA 7 11.191 4.909 1.322
65 HB3 ALA 7 3HB ALA 7 10.801 6.268 0.267
66 H LYS 8 H LYS 8 10.281 8.139 2.665
67 HA LYS 8 HA LYS 8 10.649 10.305 0.762
68 HB2 LYS 8 2HB LYS 8 8.557 11.199 1.742
69 HB3 LYS 8 3HB LYS 8 8.382 9.551 1.154
70 HG2 LYS 8 2HG LYS 8 7.714 8.857 3.145
71 HG3 LYS 8 3HG LYS 8 9.159 9.520 3.912
72 HD2 LYS 8 2HD LYS 8 8.088 11.376 4.616
73 HD3 LYS 8 3HD LYS 8 7.128 11.504 3.140
74 HE2 LYS 8 2HE LYS 8 5.503 10.998 4.687
75 HE3 LYS 8 3HE LYS 8 5.921 9.391 4.094
76 HZ1 LYS 8 1HZ LYS 8 5.767 9.553 6.544
77 HZ2 LYS 8 2HZ LYS 8 7.086 10.612 6.535
78 HZ3 LYS 8 3HZ LYS 8 7.277 9.018 6.003
79 H ILE 9 H ILE 9 11.048 9.662 4.181
80 HA ILE 9 HA ILE 9 11.473 12.384 4.940
81 HB ILE 9 HB ILE 9 11.927 11.612 7.084
82 HG12 ILE 9 2HG1 ILE 9 12.446 8.987 7.265
83 HG13 ILE 9 3HG1 ILE 9 13.114 9.285 5.664
84 HG21 ILE 9 1HG2 ILE 9 10.040 10.473 7.542
85 HG22 ILE 9 2HG2 ILE 9 9.730 10.684 5.820
86 HG23 ILE 9 3HG2 ILE 9 10.424 9.175 6.412
87 HD11 ILE 9 1HD1 ILE 9 14.165 11.342 7.112
88 HD12 ILE 9 2HD1 ILE 9 14.129 10.030 8.291
89 HD13 ILE 9 3HD1 ILE 9 14.977 9.817 6.759
90 H THR 10 H THR 10 13.469 9.839 3.682
91 HA THR 10 HA THR 10 15.954 11.138 4.406
92 HB THR 10 HB THR 10 16.976 9.320 2.963
93 HG1 THR 10 HG1 THR 10 15.070 8.899 1.714
94 HG21 THR 10 1HG2 THR 10 16.552 7.549 4.611
95 HG22 THR 10 2HG2 THR 10 15.184 8.467 5.240
96 HG23 THR 10 3HG2 THR 10 16.819 9.108 5.391
97 H LYS 11 H LYS 11 16.829 12.733 3.277
98 HA LYS 11 HA LYS 11 16.220 12.926 0.399
99 HB2 LYS 11 2HB LYS 11 16.638 15.429 0.755
100 HB3 LYS 11 3HB LYS 11 15.122 14.769 1.354
101 HG2 LYS 11 2HG LYS 11 15.906 16.198 3.041
102 HG3 LYS 11 3HG LYS 11 16.256 14.563 3.606
103 HD2 LYS 11 2HD LYS 11 18.524 14.803 3.314
104 HD3 LYS 11 3HD LYS 11 18.340 16.028 2.056
105 HE2 LYS 11 2HE LYS 11 17.242 16.949 4.557
106 HE3 LYS 11 3HE LYS 11 18.917 16.439 4.762
107 HZ1 LYS 11 1HZ LYS 11 19.558 18.324 3.832
108 HZ2 LYS 11 2HZ LYS 11 17.951 18.802 3.612
109 HZ3 LYS 11 3HZ LYS 11 18.745 17.926 2.402
110 H LYS 12 H LYS 12 18.500 11.743 2.069
111 HA LYS 12 HA LYS 12 20.685 13.173 0.701
112 HB2 LYS 12 2HB LYS 12 21.988 11.839 2.658
113 HB3 LYS 12 3HB LYS 12 21.416 13.494 2.818
114 HG2 LYS 12 2HG LYS 12 19.643 12.897 4.161
115 HG3 LYS 12 3HG LYS 12 19.621 11.233 3.571
116 HD2 LYS 12 2HD LYS 12 21.892 10.974 4.693
117 HD3 LYS 12 3HD LYS 12 21.549 12.507 5.497
118 HE2 LYS 12 2HE LYS 12 20.199 11.518 6.966
119 HE3 LYS 12 3HE LYS 12 19.302 10.703 5.686
120 HZ1 LYS 12 1HZ LYS 12 21.184 9.065 5.627
121 HZ2 LYS 12 2HZ LYS 12 20.237 9.028 7.028
122 HZ3 LYS 12 3HZ LYS 12 21.758 9.768 7.055
123 H ASN 13 H ASN 13 20.565 10.042 2.367
124 HA ASN 13 HA ASN 13 22.199 8.669 0.624
125 HB2 ASN 13 2HB ASN 13 20.361 7.986 2.765
126 HB3 ASN 13 3HB ASN 13 20.366 6.753 1.507
127 HD21 ASN 13 1HD2 ASN 13 21.332 5.298 2.954
128 HD22 ASN 13 2HD2 ASN 13 23.013 5.395 3.339
129 H MET 14 H MET 14 18.829 9.467 0.292
130 HA MET 14 HA MET 14 18.073 7.606 -1.656
131 HB2 MET 14 2HB MET 14 16.557 9.171 -0.389
132 HB3 MET 14 3HB MET 14 17.090 10.455 -1.466
133 HG2 MET 14 2HG MET 14 15.450 9.888 -2.832
134 HG3 MET 14 3HG MET 14 16.315 8.387 -3.153
135 HE1 MET 14 1HE MET 14 16.266 6.466 -1.863
136 HE2 MET 14 2HE MET 14 15.442 6.313 -0.311
137 HE3 MET 14 3HE MET 14 14.685 5.689 -1.777
138 H ALA 15 H ALA 15 19.255 10.944 -2.074
139 HA ALA 15 HA ALA 15 19.445 10.684 -4.921
140 HB1 ALA 15 1HB ALA 15 19.997 12.905 -4.957
141 HB2 ALA 15 2HB ALA 15 19.145 12.817 -3.415
142 HB3 ALA 15 3HB ALA 15 20.908 12.817 -3.448
143 H HIS 16 H HIS 16 21.232 9.325 -2.554
144 HA HIS 16 HA HIS 16 23.783 9.588 -3.988
145 HB2 HIS 16 2HB HIS 16 23.087 9.422 -1.203
146 HB3 HIS 16 3HB HIS 16 24.149 8.082 -1.625
147 HD1 HIS 16 HD1 HIS 16 26.224 9.191 -3.360
148 HD2 HIS 16 HD2 HIS 16 24.609 11.428 -0.255
149 HE1 HIS 16 HE1 HIS 16 27.936 10.959 -2.845
150 H ILE 17 H ILE 17 21.187 7.456 -3.416
151 HA ILE 17 HA ILE 17 22.330 4.943 -3.497
152 HB ILE 17 HB ILE 17 20.253 4.106 -4.370
153 HG12 ILE 17 2HG1 ILE 17 19.868 6.945 -5.277
154 HG13 ILE 17 3HG1 ILE 17 19.735 5.461 -6.213
155 HG21 ILE 17 1HG2 ILE 17 20.415 5.162 -2.034
156 HG22 ILE 17 2HG2 ILE 17 19.444 6.468 -2.713
157 HG23 ILE 17 3HG2 ILE 17 18.811 4.823 -2.684
158 HD11 ILE 17 1HD1 ILE 17 17.800 6.511 -4.169
159 HD12 ILE 17 2HD1 ILE 17 17.551 6.338 -5.906
160 HD13 ILE 17 3HD1 ILE 17 17.698 4.905 -4.889
161 H ARG 18 H ARG 18 21.637 7.149 -6.166
162 HA ARG 18 HA ARG 18 22.275 7.165 -8.350
163 HB2 ARG 18 2HB ARG 18 24.508 5.937 -6.886
164 HB3 ARG 18 3HB ARG 18 24.475 5.554 -8.602
165 HG2 ARG 18 2HG ARG 18 24.092 8.180 -8.776
166 HG3 ARG 18 3HG ARG 18 24.958 8.134 -7.239
167 HD2 ARG 18 2HD ARG 18 26.880 7.891 -8.321
168 HD3 ARG 18 3HD ARG 18 26.287 6.401 -9.053
169 HE ARG 18 HE ARG 18 26.002 7.536 -11.011
170 HH11 ARG 18 1HH1 ARG 18 26.205 9.835 -8.406
171 HH12 ARG 18 2HH1 ARG 18 26.212 11.217 -9.452
172 HH21 ARG 18 1HH2 ARG 18 26.010 9.346 -12.399
173 HH22 ARG 18 2HH2 ARG 18 26.100 10.937 -11.723
Start of MODEL 11
1 H1 PHE 1 H PHE 1 6.551 0.175 -5.774
2 HA PHE 1 HA PHE 1 3.971 0.159 -5.125
3 HB2 PHE 1 2HB PHE 1 5.976 -1.813 -5.266
4 HB3 PHE 1 3HB PHE 1 5.125 -2.099 -3.752
5 HD1 PHE 1 HD1 PHE 1 5.034 -2.423 -7.317
6 HD2 PHE 1 HD2 PHE 1 2.620 -2.379 -3.812
7 HE1 PHE 1 HE1 PHE 1 3.224 -3.539 -8.554
8 HE2 PHE 1 HE2 PHE 1 0.806 -3.496 -5.043
9 HZ PHE 1 HZ PHE 1 1.107 -4.079 -7.417
10 H LEU 2 H LEU 2 6.589 0.220 -2.763
11 HA LEU 2 HA LEU 2 4.685 0.290 -0.556
12 HB2 LEU 2 2HB LEU 2 7.557 -0.244 -0.869
13 HB3 LEU 2 3HB LEU 2 7.123 0.648 0.588
14 HG LEU 2 HG LEU 2 5.418 -1.259 0.968
15 HD11 LEU 2 1HD1 LEU 2 6.152 -3.418 0.040
16 HD12 LEU 2 2HD1 LEU 2 7.317 -2.567 -0.974
17 HD13 LEU 2 3HD1 LEU 2 5.589 -2.303 -1.205
18 HD21 LEU 2 1HD2 LEU 2 7.117 -2.583 2.125
19 HD22 LEU 2 2HD2 LEU 2 7.370 -0.855 2.371
20 HD23 LEU 2 3HD2 LEU 2 8.385 -1.741 1.232
21 HA PRO 3 HA PRO 3 4.750 4.627 0.100
22 HB2 PRO 3 2HB PRO 3 4.851 4.811 2.807
23 HB3 PRO 3 3HB PRO 3 3.410 4.276 1.934
24 HG2 PRO 3 2HG PRO 3 5.504 2.642 3.314
25 HG3 PRO 3 3HG PRO 3 3.742 2.446 3.329
26 HD2 PRO 3 2HD PRO 3 5.363 0.936 1.772
27 HD3 PRO 3 3HD PRO 3 3.717 1.386 1.282
28 H LYS 4 H LYS 4 5.922 6.354 1.576
29 HA LYS 4 HA LYS 4 8.805 5.739 1.519
30 HB2 LYS 4 2HB LYS 4 8.712 8.457 1.326
31 HB3 LYS 4 3HB LYS 4 8.863 7.363 -0.042
32 HG2 LYS 4 2HG LYS 4 6.648 7.605 -0.651
33 HG3 LYS 4 3HG LYS 4 6.158 8.141 0.958
34 HD2 LYS 4 2HD LYS 4 6.129 9.994 -0.631
35 HD3 LYS 4 3HD LYS 4 7.351 10.251 0.617
36 HE2 LYS 4 2HE LYS 4 9.081 10.026 -0.840
37 HE3 LYS 4 3HE LYS 4 8.219 8.870 -1.854
38 HZ1 LYS 4 1HZ LYS 4 8.275 11.774 -1.986
39 HZ2 LYS 4 2HZ LYS 4 6.778 11.048 -2.293
40 HZ3 LYS 4 3HZ LYS 4 8.126 10.636 -3.229
41 H LEU 5 H LEU 5 7.212 5.261 3.785
42 HA LEU 5 HA LEU 5 6.923 7.178 5.689
43 HB2 LEU 5 2HB LEU 5 7.374 4.318 5.673
44 HB3 LEU 5 3HB LEU 5 8.077 5.079 7.099
45 HG LEU 5 HG LEU 5 5.266 5.757 6.409
46 HD11 LEU 5 1HD1 LEU 5 4.537 3.747 7.733
47 HD12 LEU 5 2HD1 LEU 5 6.164 3.105 7.509
48 HD13 LEU 5 3HD1 LEU 5 5.136 3.410 6.109
49 HD21 LEU 5 1HD2 LEU 5 6.711 6.649 8.353
50 HD22 LEU 5 2HD2 LEU 5 6.412 5.076 9.091
51 HD23 LEU 5 3HD2 LEU 5 5.059 6.134 8.691
52 H PHE 6 H PHE 6 9.936 5.613 4.721
53 HA PHE 6 HA PHE 6 11.396 7.626 6.303
54 HB2 PHE 6 2HB PHE 6 11.495 4.992 6.837
55 HB3 PHE 6 3HB PHE 6 12.765 5.083 5.620
56 HD1 PHE 6 HD1 PHE 6 14.905 5.726 6.223
57 HD2 PHE 6 HD2 PHE 6 11.646 6.648 8.800
58 HE1 PHE 6 HE1 PHE 6 16.486 6.524 7.931
59 HE2 PHE 6 HE2 PHE 6 13.222 7.449 10.512
60 HZ PHE 6 HZ PHE 6 15.645 7.388 10.078
61 H ALA 7 H ALA 7 10.700 6.450 3.249
62 HA ALA 7 HA ALA 7 13.191 6.873 1.943
63 HB1 ALA 7 1HB ALA 7 10.834 7.236 0.269
64 HB2 ALA 7 2HB ALA 7 12.143 6.059 0.148
65 HB3 ALA 7 3HB ALA 7 10.785 5.758 1.232
66 H LYS 8 H LYS 8 10.546 8.939 2.858
67 HA LYS 8 HA LYS 8 11.475 11.137 1.198
68 HB2 LYS 8 2HB LYS 8 9.561 12.362 2.102
69 HB3 LYS 8 3HB LYS 8 9.064 10.793 1.481
70 HG2 LYS 8 2HG LYS 8 9.483 10.127 4.035
71 HG3 LYS 8 3HG LYS 8 9.067 11.829 4.245
72 HD2 LYS 8 2HD LYS 8 7.409 9.793 2.756
73 HD3 LYS 8 3HD LYS 8 7.096 10.363 4.397
74 HE2 LYS 8 2HE LYS 8 6.982 12.694 3.423
75 HE3 LYS 8 3HE LYS 8 6.979 11.934 1.832
76 HZ1 LYS 8 1HZ LYS 8 4.770 12.486 3.202
77 HZ2 LYS 8 2HZ LYS 8 5.040 10.902 3.729
78 HZ3 LYS 8 3HZ LYS 8 4.873 11.227 2.077
79 H ILE 9 H ILE 9 11.368 10.220 4.602
80 HA ILE 9 HA ILE 9 12.354 12.662 5.634
81 HB ILE 9 HB ILE 9 12.552 11.600 7.700
82 HG12 ILE 9 2HG1 ILE 9 12.481 8.919 7.597
83 HG13 ILE 9 3HG1 ILE 9 13.280 9.230 6.060
84 HG21 ILE 9 1HG2 ILE 9 10.596 9.625 6.763
85 HG22 ILE 9 2HG2 ILE 9 10.438 10.896 7.974
86 HG23 ILE 9 3HG2 ILE 9 10.271 11.284 6.263
87 HD11 ILE 9 1HD1 ILE 9 14.736 10.817 7.650
88 HD12 ILE 9 2HD1 ILE 9 14.260 9.579 8.812
89 HD13 ILE 9 3HD1 ILE 9 15.121 9.124 7.343
90 H THR 10 H THR 10 13.884 9.901 4.191
91 HA THR 10 HA THR 10 16.530 10.606 5.132
92 HB THR 10 HB THR 10 17.261 8.766 3.553
93 HG1 THR 10 HG1 THR 10 15.494 7.403 2.842
94 HG21 THR 10 1HG2 THR 10 16.398 6.965 4.983
95 HG22 THR 10 2HG2 THR 10 15.196 8.072 5.647
96 HG23 THR 10 3HG2 THR 10 16.912 8.357 5.936
97 H LYS 11 H LYS 11 17.774 12.081 4.203
98 HA LYS 11 HA LYS 11 17.352 12.686 1.349
99 HB2 LYS 11 2HB LYS 11 18.262 14.990 1.968
100 HB3 LYS 11 3HB LYS 11 16.630 14.609 2.501
101 HG2 LYS 11 2HG LYS 11 18.888 14.062 4.355
102 HG3 LYS 11 3HG LYS 11 18.373 15.733 4.112
103 HD2 LYS 11 2HD LYS 11 15.990 14.782 4.538
104 HD3 LYS 11 3HD LYS 11 16.854 13.428 5.271
105 HE2 LYS 11 2HE LYS 11 17.999 15.848 6.230
106 HE3 LYS 11 3HE LYS 11 16.248 15.965 6.394
107 HZ1 LYS 11 1HZ LYS 11 16.308 13.783 7.525
108 HZ2 LYS 11 2HZ LYS 11 17.142 14.991 8.364
109 HZ3 LYS 11 3HZ LYS 11 17.999 13.829 7.482
110 H LYS 12 H LYS 12 19.273 10.914 3.005
111 HA LYS 12 HA LYS 12 21.806 12.028 2.016
112 HB2 LYS 12 2HB LYS 12 21.974 9.613 3.657
113 HB3 LYS 12 3HB LYS 12 22.830 11.141 3.814
114 HG2 LYS 12 2HG LYS 12 20.654 12.062 4.777
115 HG3 LYS 12 3HG LYS 12 20.151 10.376 4.920
116 HD2 LYS 12 2HD LYS 12 21.084 10.786 6.998
117 HD3 LYS 12 3HD LYS 12 22.437 10.069 6.119
118 HE2 LYS 12 2HE LYS 12 23.040 12.507 5.522
119 HE3 LYS 12 3HE LYS 12 21.963 12.938 6.849
120 HZ1 LYS 12 1HZ LYS 12 24.438 11.314 6.986
121 HZ2 LYS 12 2HZ LYS 12 23.329 11.411 8.260
122 HZ3 LYS 12 3HZ LYS 12 24.134 12.802 7.732
123 H ASN 13 H ASN 13 20.599 8.715 2.535
124 HA ASN 13 HA ASN 13 22.118 7.599 0.450
125 HB2 ASN 13 2HB ASN 13 20.217 6.684 2.405
126 HB3 ASN 13 3HB ASN 13 19.846 5.964 0.841
127 HD21 ASN 13 1HD2 ASN 13 22.029 5.340 -0.339
128 HD22 ASN 13 2HD2 ASN 13 23.075 4.355 0.620
129 H MET 14 H MET 14 19.202 9.379 0.415
130 HA MET 14 HA MET 14 17.905 8.328 -1.828
131 HB2 MET 14 2HB MET 14 17.003 10.047 -0.218
132 HB3 MET 14 3HB MET 14 17.983 11.245 -1.052
133 HG2 MET 14 2HG MET 14 16.294 11.562 -2.438
134 HG3 MET 14 3HG MET 14 16.571 9.938 -3.063
135 HE1 MET 14 1HE MET 14 13.292 8.656 -2.896
136 HE2 MET 14 2HE MET 14 14.911 8.771 -3.586
137 HE3 MET 14 3HE MET 14 14.614 7.715 -2.204
138 H ALA 15 H ALA 15 20.198 11.052 -1.640
139 HA ALA 15 HA ALA 15 20.371 11.302 -4.489
140 HB1 ALA 15 1HB ALA 15 22.565 12.501 -3.012
141 HB2 ALA 15 2HB ALA 15 21.346 13.255 -4.040
142 HB3 ALA 15 3HB ALA 15 20.988 12.926 -2.345
143 H HIS 16 H HIS 16 21.496 8.973 -2.501
144 HA HIS 16 HA HIS 16 24.021 8.602 -3.958
145 HB2 HIS 16 2HB HIS 16 23.228 8.154 -1.231
146 HB3 HIS 16 3HB HIS 16 23.766 6.637 -1.944
147 HD1 HIS 16 HD1 HIS 16 26.217 6.263 -1.949
148 HD2 HIS 16 HD2 HIS 16 25.257 10.286 -1.554
149 HE1 HIS 16 HE1 HIS 16 28.406 7.442 -1.573
150 H ILE 17 H ILE 17 20.827 7.442 -3.700
151 HA ILE 17 HA ILE 17 21.020 4.754 -4.306
152 HB ILE 17 HB ILE 17 18.809 4.879 -5.239
153 HG12 ILE 17 2HG1 ILE 17 19.468 7.792 -5.571
154 HG13 ILE 17 3HG1 ILE 17 18.852 6.657 -6.767
155 HG21 ILE 17 1HG2 ILE 17 18.823 7.010 -3.132
156 HG22 ILE 17 2HG2 ILE 17 17.659 5.712 -3.391
157 HG23 ILE 17 3HG2 ILE 17 19.262 5.345 -2.752
158 HD11 ILE 17 1HD1 ILE 17 17.347 7.901 -4.484
159 HD12 ILE 17 2HD1 ILE 17 17.105 8.165 -6.211
160 HD13 ILE 17 3HD1 ILE 17 16.710 6.603 -5.494
161 H ARG 18 H ARG 18 21.222 7.535 -6.475
162 HA ARG 18 HA ARG 18 21.503 5.845 -8.811
163 HB2 ARG 18 2HB ARG 18 21.023 8.674 -8.279
164 HB3 ARG 18 3HB ARG 18 22.181 8.417 -9.577
165 HG2 ARG 18 2HG ARG 18 19.850 6.697 -9.804
166 HG3 ARG 18 3HG ARG 18 19.442 8.415 -9.814
167 HD2 ARG 18 2HD ARG 18 21.531 7.137 -11.573
168 HD3 ARG 18 3HD ARG 18 19.874 7.472 -12.072
169 HE ARG 18 HE ARG 18 21.158 9.806 -11.071
170 HH11 ARG 18 1HH1 ARG 18 20.926 7.732 -13.857
171 HH12 ARG 18 2HH1 ARG 18 21.362 8.975 -14.982
172 HH21 ARG 18 1HH2 ARG 18 21.734 11.451 -12.541
173 HH22 ARG 18 2HH2 ARG 18 21.823 11.091 -14.232
Start of MODEL 12
1 H1 PHE 1 H PHE 1 2.485 4.423 -1.474
2 HA PHE 1 HA PHE 1 1.364 2.664 -2.722
3 HB2 PHE 1 2HB PHE 1 3.150 3.784 -4.794
4 HB3 PHE 1 3HB PHE 1 2.933 2.038 -4.842
5 HD1 PHE 1 HD1 PHE 1 1.312 1.300 -6.271
6 HD2 PHE 1 HD2 PHE 1 0.781 5.046 -4.323
7 HE1 PHE 1 HE1 PHE 1 -0.835 1.597 -7.436
8 HE2 PHE 1 HE2 PHE 1 -1.367 5.350 -5.484
9 HZ PHE 1 HZ PHE 1 -2.178 3.624 -7.042
10 H LEU 2 H LEU 2 4.719 3.328 -2.114
11 HA LEU 2 HA LEU 2 5.108 0.505 -1.364
12 HB2 LEU 2 2HB LEU 2 7.615 1.191 -1.722
13 HB3 LEU 2 3HB LEU 2 6.607 0.669 -3.071
14 HG LEU 2 HG LEU 2 6.652 3.573 -2.568
15 HD11 LEU 2 1HD1 LEU 2 8.827 3.849 -3.687
16 HD12 LEU 2 2HD1 LEU 2 9.086 2.109 -3.575
17 HD13 LEU 2 3HD1 LEU 2 8.973 3.079 -2.107
18 HD21 LEU 2 1HD2 LEU 2 7.307 2.374 -5.183
19 HD22 LEU 2 2HD2 LEU 2 6.197 3.683 -4.778
20 HD23 LEU 2 3HD2 LEU 2 5.709 2.005 -4.535
21 HA PRO 3 HA PRO 3 6.145 1.766 2.708
22 HB2 PRO 3 2HB PRO 3 8.158 0.060 3.347
23 HB3 PRO 3 3HB PRO 3 6.472 -0.452 3.208
24 HG2 PRO 3 2HG PRO 3 8.699 -0.706 1.223
25 HG3 PRO 3 3HG PRO 3 7.462 -1.894 1.674
26 HD2 PRO 3 2HD PRO 3 7.294 -0.399 -0.577
27 HD3 PRO 3 3HD PRO 3 5.861 -0.924 0.330
28 H LYS 4 H LYS 4 6.964 3.844 2.495
29 HA LYS 4 HA LYS 4 9.896 4.044 2.259
30 HB2 LYS 4 2HB LYS 4 9.066 6.567 1.720
31 HB3 LYS 4 3HB LYS 4 9.381 5.352 0.489
32 HG2 LYS 4 2HG LYS 4 7.149 4.979 0.088
33 HG3 LYS 4 3HG LYS 4 6.659 5.541 1.688
34 HD2 LYS 4 2HD LYS 4 6.001 7.139 -0.030
35 HD3 LYS 4 3HD LYS 4 7.213 7.840 1.045
36 HE2 LYS 4 2HE LYS 4 8.589 8.206 -0.662
37 HE3 LYS 4 3HE LYS 4 8.497 6.516 -1.154
38 HZ1 LYS 4 1HZ LYS 4 7.008 8.823 -2.143
39 HZ2 LYS 4 2HZ LYS 4 6.182 7.349 -2.074
40 HZ3 LYS 4 3HZ LYS 4 7.604 7.480 -2.981
41 H LEU 5 H LEU 5 8.513 3.505 4.691
42 HA LEU 5 HA LEU 5 7.841 5.557 6.338
43 HB2 LEU 5 2HB LEU 5 9.717 3.370 7.199
44 HB3 LEU 5 3HB LEU 5 8.541 4.235 8.187
45 HG LEU 5 HG LEU 5 7.007 3.041 6.209
46 HD11 LEU 5 1HD1 LEU 5 8.634 0.804 7.262
47 HD12 LEU 5 2HD1 LEU 5 9.309 1.733 5.924
48 HD13 LEU 5 3HD1 LEU 5 7.741 0.947 5.748
49 HD21 LEU 5 1HD2 LEU 5 6.306 3.243 8.480
50 HD22 LEU 5 2HD2 LEU 5 7.631 2.223 9.041
51 HD23 LEU 5 3HD2 LEU 5 6.327 1.525 8.079
52 H PHE 6 H PHE 6 11.092 4.652 5.327
53 HA PHE 6 HA PHE 6 12.088 7.130 6.570
54 HB2 PHE 6 2HB PHE 6 12.864 4.685 7.371
55 HB3 PHE 6 3HB PHE 6 14.004 4.924 6.052
56 HD1 PHE 6 HD1 PHE 6 15.957 6.107 6.415
57 HD2 PHE 6 HD2 PHE 6 12.701 6.580 9.115
58 HE1 PHE 6 HE1 PHE 6 17.383 7.463 7.892
59 HE2 PHE 6 HE2 PHE 6 14.121 7.938 10.596
60 HZ PHE 6 HZ PHE 6 16.465 8.382 9.984
61 H ALA 7 H ALA 7 11.533 5.478 3.721
62 HA ALA 7 HA ALA 7 13.779 6.339 2.189
63 HB1 ALA 7 1HB ALA 7 11.774 4.535 1.791
64 HB2 ALA 7 2HB ALA 7 11.302 5.846 0.710
65 HB3 ALA 7 3HB ALA 7 12.891 5.099 0.548
66 H LYS 8 H LYS 8 10.723 7.750 3.069
67 HA LYS 8 HA LYS 8 10.959 9.884 1.108
68 HB2 LYS 8 2HB LYS 8 8.840 10.698 2.097
69 HB3 LYS 8 3HB LYS 8 8.738 9.030 1.551
70 HG2 LYS 8 2HG LYS 8 8.131 8.352 3.567
71 HG3 LYS 8 3HG LYS 8 9.551 9.105 4.298
72 HD2 LYS 8 2HD LYS 8 7.714 10.131 5.344
73 HD3 LYS 8 3HD LYS 8 8.262 11.300 4.140
74 HE2 LYS 8 2HE LYS 8 6.212 9.354 3.269
75 HE3 LYS 8 3HE LYS 8 5.697 10.576 4.430
76 HZ1 LYS 8 1HZ LYS 8 5.435 11.888 2.671
77 HZ2 LYS 8 2HZ LYS 8 6.290 10.852 1.644
78 HZ3 LYS 8 3HZ LYS 8 7.122 11.983 2.587
79 H ILE 9 H ILE 9 11.435 9.345 4.536
80 HA ILE 9 HA ILE 9 11.735 12.102 5.223
81 HB ILE 9 HB ILE 9 12.255 11.407 7.379
82 HG12 ILE 9 2HG1 ILE 9 12.904 8.816 7.615
83 HG13 ILE 9 3HG1 ILE 9 13.535 9.106 5.998
84 HG21 ILE 9 1HG2 ILE 9 10.089 10.342 6.168
85 HG22 ILE 9 2HG2 ILE 9 10.864 8.884 6.785
86 HG23 ILE 9 3HG2 ILE 9 10.432 10.188 7.891
87 HD11 ILE 9 1HD1 ILE 9 14.566 9.933 8.584
88 HD12 ILE 9 2HD1 ILE 9 15.382 9.785 7.027
89 HD13 ILE 9 3HD1 ILE 9 14.484 11.252 7.416
90 H THR 10 H THR 10 13.837 9.628 3.999
91 HA THR 10 HA THR 10 16.264 11.066 4.655
92 HB THR 10 HB THR 10 17.356 9.264 3.244
93 HG1 THR 10 HG1 THR 10 16.081 7.989 2.149
94 HG21 THR 10 1HG2 THR 10 17.042 7.517 4.941
95 HG22 THR 10 2HG2 THR 10 15.637 8.380 5.565
96 HG23 THR 10 3HG2 THR 10 17.240 9.106 5.679
97 H LYS 11 H LYS 11 17.044 12.673 3.475
98 HA LYS 11 HA LYS 11 16.389 12.761 0.602
99 HB2 LYS 11 2HB LYS 11 16.634 15.275 0.851
100 HB3 LYS 11 3HB LYS 11 15.207 14.559 1.590
101 HG2 LYS 11 2HG LYS 11 17.641 14.923 3.260
102 HG3 LYS 11 3HG LYS 11 16.661 16.336 2.862
103 HD2 LYS 11 2HD LYS 11 14.684 14.793 3.634
104 HD3 LYS 11 3HD LYS 11 15.965 13.935 4.493
105 HE2 LYS 11 2HE LYS 11 16.639 16.133 5.490
106 HE3 LYS 11 3HE LYS 11 15.190 16.834 4.771
107 HZ1 LYS 11 1HZ LYS 11 14.873 14.439 6.419
108 HZ2 LYS 11 2HZ LYS 11 13.835 15.759 6.223
109 HZ3 LYS 11 3HZ LYS 11 15.201 15.897 7.212
110 H LYS 12 H LYS 12 18.749 11.750 2.286
111 HA LYS 12 HA LYS 12 20.840 13.243 0.840
112 HB2 LYS 12 2HB LYS 12 22.234 12.048 2.825
113 HB3 LYS 12 3HB LYS 12 21.578 13.676 2.935
114 HG2 LYS 12 2HG LYS 12 19.854 13.034 4.322
115 HG3 LYS 12 3HG LYS 12 19.913 11.352 3.789
116 HD2 LYS 12 2HD LYS 12 21.097 10.917 5.626
117 HD3 LYS 12 3HD LYS 12 22.421 11.826 4.894
118 HE2 LYS 12 2HE LYS 12 20.254 12.980 6.648
119 HE3 LYS 12 3HE LYS 12 21.900 12.613 7.161
120 HZ1 LYS 12 1HZ LYS 12 20.904 14.836 5.590
121 HZ2 LYS 12 2HZ LYS 12 22.360 14.168 5.046
122 HZ3 LYS 12 3HZ LYS 12 22.238 14.754 6.628
123 H ASN 13 H ASN 13 20.903 10.170 2.614
124 HA ASN 13 HA ASN 13 22.587 8.823 0.901
125 HB2 ASN 13 2HB ASN 13 20.726 8.085 3.037
126 HB3 ASN 13 3HB ASN 13 20.952 6.810 1.844
127 HD21 ASN 13 1HD2 ASN 13 22.998 5.906 1.564
128 HD22 ASN 13 2HD2 ASN 13 24.241 6.081 2.751
129 H MET 14 H MET 14 19.176 9.431 0.581
130 HA MET 14 HA MET 14 18.504 7.470 -1.299
131 HB2 MET 14 2HB MET 14 16.917 8.989 -0.063
132 HB3 MET 14 3HB MET 14 17.368 10.265 -1.186
133 HG2 MET 14 2HG MET 14 15.747 9.566 -2.513
134 HG3 MET 14 3HG MET 14 16.691 8.106 -2.799
135 HE1 MET 14 1HE MET 14 14.097 5.625 -2.007
136 HE2 MET 14 2HE MET 14 14.405 6.729 -3.348
137 HE3 MET 14 3HE MET 14 15.750 5.911 -2.551
138 H ALA 15 H ALA 15 19.496 10.852 -1.834
139 HA ALA 15 HA ALA 15 19.672 10.512 -4.674
140 HB1 ALA 15 1HB ALA 15 20.460 12.776 -4.731
141 HB2 ALA 15 2HB ALA 15 19.137 12.674 -3.569
142 HB3 ALA 15 3HB ALA 15 20.804 12.749 -3.001
143 H HIS 16 H HIS 16 21.554 9.329 -2.287
144 HA HIS 16 HA HIS 16 24.073 9.686 -3.757
145 HB2 HIS 16 2HB HIS 16 23.415 9.569 -0.961
146 HB3 HIS 16 3HB HIS 16 24.544 8.276 -1.354
147 HD1 HIS 16 HD1 HIS 16 24.269 12.020 -2.012
148 HD2 HIS 16 HD2 HIS 16 27.112 9.093 -1.229
149 HE1 HIS 16 HE1 HIS 16 26.464 13.238 -1.858
150 H ILE 17 H ILE 17 21.604 7.434 -3.090
151 HA ILE 17 HA ILE 17 22.883 4.986 -3.107
152 HB ILE 17 HB ILE 17 20.846 4.009 -3.929
153 HG12 ILE 17 2HG1 ILE 17 20.295 6.794 -4.918
154 HG13 ILE 17 3HG1 ILE 17 20.235 5.275 -5.807
155 HG21 ILE 17 1HG2 ILE 17 19.924 6.375 -2.336
156 HG22 ILE 17 2HG2 ILE 17 19.382 4.700 -2.251
157 HG23 ILE 17 3HG2 ILE 17 20.971 5.144 -1.629
158 HD11 ILE 17 1HD1 ILE 17 18.266 6.282 -3.773
159 HD12 ILE 17 2HD1 ILE 17 18.009 6.041 -5.501
160 HD13 ILE 17 3HD1 ILE 17 18.245 4.651 -4.442
161 H ARG 18 H ARG 18 22.041 7.066 -5.835
162 HA ARG 18 HA ARG 18 23.267 5.168 -7.693
163 HB2 ARG 18 2HB ARG 18 21.311 7.365 -7.918
164 HB3 ARG 18 3HB ARG 18 22.449 7.239 -9.252
165 HG2 ARG 18 2HG ARG 18 21.635 5.215 -9.941
166 HG3 ARG 18 3HG ARG 18 21.053 4.780 -8.333
167 HD2 ARG 18 2HD ARG 18 19.102 5.206 -9.538
168 HD3 ARG 18 3HD ARG 18 19.377 6.696 -8.636
169 HE ARG 18 HE ARG 18 20.610 7.156 -11.003
170 HH11 ARG 18 1HH1 ARG 18 17.412 6.100 -10.122
171 HH12 ARG 18 2HH1 ARG 18 16.654 6.813 -11.507
172 HH21 ARG 18 1HH2 ARG 18 19.624 8.099 -12.830
173 HH22 ARG 18 2HH2 ARG 18 17.913 7.949 -13.048
Start of MODEL 13
1 H1 PHE 1 H PHE 1 4.127 -3.768 -2.509
2 HA PHE 1 HA PHE 1 2.932 -1.283 -3.452
3 HB2 PHE 1 2HB PHE 1 2.972 -2.139 -0.556
4 HB3 PHE 1 3HB PHE 1 2.747 -0.468 -1.063
5 HD1 PHE 1 HD1 PHE 1 1.324 -3.873 -1.522
6 HD2 PHE 1 HD2 PHE 1 0.621 0.325 -1.511
7 HE1 PHE 1 HE1 PHE 1 -1.090 -4.279 -1.772
8 HE2 PHE 1 HE2 PHE 1 -1.793 -0.074 -1.759
9 HZ PHE 1 HZ PHE 1 -2.652 -2.379 -1.889
10 H LEU 2 H LEU 2 4.159 0.639 -2.622
11 HA LEU 2 HA LEU 2 6.911 0.055 -1.841
12 HB2 LEU 2 2HB LEU 2 6.155 1.624 -4.301
13 HB3 LEU 2 3HB LEU 2 7.778 1.547 -3.618
14 HG LEU 2 HG LEU 2 6.361 -0.947 -4.492
15 HD11 LEU 2 1HD1 LEU 2 7.377 -0.732 -6.682
16 HD12 LEU 2 2HD1 LEU 2 8.028 0.848 -6.249
17 HD13 LEU 2 3HD1 LEU 2 6.284 0.619 -6.379
18 HD21 LEU 2 1HD2 LEU 2 9.117 -0.120 -3.770
19 HD22 LEU 2 2HD2 LEU 2 8.933 -1.342 -5.029
20 HD23 LEU 2 3HD2 LEU 2 8.254 -1.619 -3.424
21 HA PRO 3 HA PRO 3 5.007 3.784 0.215
22 HB2 PRO 3 2HB PRO 3 5.579 2.989 2.747
23 HB3 PRO 3 3HB PRO 3 4.096 2.522 1.906
24 HG2 PRO 3 2HG PRO 3 6.626 0.968 2.288
25 HG3 PRO 3 3HG PRO 3 4.945 0.421 2.426
26 HD2 PRO 3 2HD PRO 3 6.455 -0.051 0.228
27 HD3 PRO 3 3HD PRO 3 4.699 0.196 0.145
28 H LYS 4 H LYS 4 6.118 5.516 1.114
29 HA LYS 4 HA LYS 4 9.041 5.188 1.315
30 HB2 LYS 4 2HB LYS 4 8.772 7.828 0.797
31 HB3 LYS 4 3HB LYS 4 9.023 6.609 -0.446
32 HG2 LYS 4 2HG LYS 4 6.848 6.695 -1.167
33 HG3 LYS 4 3HG LYS 4 6.242 7.270 0.388
34 HD2 LYS 4 2HD LYS 4 6.132 9.040 -1.277
35 HD3 LYS 4 3HD LYS 4 7.301 9.449 -0.018
36 HE2 LYS 4 2HE LYS 4 9.132 8.950 -1.426
37 HE3 LYS 4 3HE LYS 4 8.101 8.143 -2.606
38 HZ1 LYS 4 1HZ LYS 4 7.110 10.250 -3.168
39 HZ2 LYS 4 2HZ LYS 4 8.791 10.363 -3.325
40 HZ3 LYS 4 3HZ LYS 4 8.019 11.045 -1.983
41 H LEU 5 H LEU 5 7.207 4.852 3.483
42 HA LEU 5 HA LEU 5 6.688 6.960 5.121
43 HB2 LEU 5 2HB LEU 5 6.705 5.480 6.939
44 HB3 LEU 5 3HB LEU 5 6.270 4.503 5.539
45 HG LEU 5 HG LEU 5 8.920 4.073 5.575
46 HD11 LEU 5 1HD1 LEU 5 9.568 3.697 7.948
47 HD12 LEU 5 2HD1 LEU 5 8.129 4.591 8.435
48 HD13 LEU 5 3HD1 LEU 5 9.396 5.397 7.511
49 HD21 LEU 5 1HD2 LEU 5 8.021 2.174 7.354
50 HD22 LEU 5 2HD2 LEU 5 7.908 2.085 5.596
51 HD23 LEU 5 3HD2 LEU 5 6.546 2.694 6.538
52 H PHE 6 H PHE 6 9.815 5.476 4.516
53 HA PHE 6 HA PHE 6 11.066 7.636 6.080
54 HB2 PHE 6 2HB PHE 6 11.236 5.060 6.797
55 HB3 PHE 6 3HB PHE 6 12.570 5.109 5.649
56 HD1 PHE 6 HD1 PHE 6 14.652 5.853 6.328
57 HD2 PHE 6 HD2 PHE 6 11.223 6.865 8.637
58 HE1 PHE 6 HE1 PHE 6 16.108 6.822 8.059
59 HE2 PHE 6 HE2 PHE 6 12.673 7.836 10.371
60 HZ PHE 6 HZ PHE 6 15.118 7.816 10.083
61 H ALA 7 H ALA 7 10.657 6.246 3.061
62 HA ALA 7 HA ALA 7 13.224 6.741 1.926
63 HB1 ALA 7 1HB ALA 7 10.939 6.798 0.093
64 HB2 ALA 7 2HB ALA 7 12.384 5.787 0.079
65 HB3 ALA 7 3HB ALA 7 11.022 5.365 1.117
66 H LYS 8 H LYS 8 10.372 8.663 2.461
67 HA LYS 8 HA LYS 8 11.284 10.802 0.721
68 HB2 LYS 8 2HB LYS 8 9.227 11.962 1.474
69 HB3 LYS 8 3HB LYS 8 8.904 10.373 0.792
70 HG2 LYS 8 2HG LYS 8 7.903 9.715 2.652
71 HG3 LYS 8 3HG LYS 8 9.304 10.166 3.626
72 HD2 LYS 8 2HD LYS 8 8.376 12.110 4.278
73 HD3 LYS 8 3HD LYS 8 7.688 12.429 2.685
74 HE2 LYS 8 2HE LYS 8 5.810 11.063 3.118
75 HE3 LYS 8 3HE LYS 8 6.564 10.349 4.543
76 HZ1 LYS 8 1HZ LYS 8 4.868 12.522 4.470
77 HZ2 LYS 8 2HZ LYS 8 6.396 13.167 4.804
78 HZ3 LYS 8 3HZ LYS 8 5.750 11.964 5.802
79 H ILE 9 H ILE 9 11.147 10.024 4.132
80 HA ILE 9 HA ILE 9 11.843 12.639 5.052
81 HB ILE 9 HB ILE 9 11.888 11.765 7.200
82 HG12 ILE 9 2HG1 ILE 9 12.036 9.091 7.345
83 HG13 ILE 9 3HG1 ILE 9 12.948 9.332 5.859
84 HG21 ILE 9 1HG2 ILE 9 10.189 9.566 6.223
85 HG22 ILE 9 2HG2 ILE 9 9.831 10.858 7.368
86 HG23 ILE 9 3HG2 ILE 9 9.777 11.177 5.635
87 HD11 ILE 9 1HD1 ILE 9 14.667 9.500 7.295
88 HD12 ILE 9 2HD1 ILE 9 14.119 11.172 7.417
89 HD13 ILE 9 3HD1 ILE 9 13.640 9.995 8.640
90 H THR 10 H THR 10 13.610 9.866 3.945
91 HA THR 10 HA THR 10 16.136 10.775 5.032
92 HB THR 10 HB THR 10 17.071 8.864 3.645
93 HG1 THR 10 HG1 THR 10 15.532 8.497 2.120
94 HG21 THR 10 1HG2 THR 10 16.578 8.627 6.031
95 HG22 THR 10 2HG2 THR 10 16.213 7.137 5.160
96 HG23 THR 10 3HG2 THR 10 14.907 8.215 5.650
97 H LYS 11 H LYS 11 17.378 12.243 4.090
98 HA LYS 11 HA LYS 11 17.159 12.614 1.174
99 HB2 LYS 11 2HB LYS 11 17.944 15.002 1.717
100 HB3 LYS 11 3HB LYS 11 16.272 14.586 2.070
101 HG2 LYS 11 2HG LYS 11 17.057 15.814 3.920
102 HG3 LYS 11 3HG LYS 11 17.006 14.126 4.435
103 HD2 LYS 11 2HD LYS 11 19.211 14.075 4.798
104 HD3 LYS 11 3HD LYS 11 19.560 14.844 3.248
105 HE2 LYS 11 2HE LYS 11 18.863 17.025 4.332
106 HE3 LYS 11 3HE LYS 11 18.887 16.162 5.869
107 HZ1 LYS 11 1HZ LYS 11 20.971 17.387 5.297
108 HZ2 LYS 11 2HZ LYS 11 21.218 16.282 4.041
109 HZ3 LYS 11 3HZ LYS 11 21.191 15.746 5.646
110 H LYS 12 H LYS 12 19.017 11.050 3.073
111 HA LYS 12 HA LYS 12 21.571 12.236 2.236
112 HB2 LYS 12 2HB LYS 12 21.706 9.904 3.998
113 HB3 LYS 12 3HB LYS 12 22.478 11.477 4.151
114 HG2 LYS 12 2HG LYS 12 20.190 12.335 4.887
115 HG3 LYS 12 3HG LYS 12 19.752 10.635 5.069
116 HD2 LYS 12 2HD LYS 12 20.488 11.169 7.193
117 HD3 LYS 12 3HD LYS 12 21.947 10.496 6.462
118 HE2 LYS 12 2HE LYS 12 22.962 12.379 7.097
119 HE3 LYS 12 3HE LYS 12 22.074 13.167 5.793
120 HZ1 LYS 12 1HZ LYS 12 20.245 13.480 7.492
121 HZ2 LYS 12 2HZ LYS 12 21.632 14.426 7.696
122 HZ3 LYS 12 3HZ LYS 12 21.388 13.063 8.668
123 H ASN 13 H ASN 13 20.473 8.894 2.810
124 HA ASN 13 HA ASN 13 22.212 7.755 0.922
125 HB2 ASN 13 2HB ASN 13 20.170 6.847 2.733
126 HB3 ASN 13 3HB ASN 13 19.975 6.048 1.176
127 HD21 ASN 13 1HD2 ASN 13 22.329 5.525 0.240
128 HD22 ASN 13 2HD2 ASN 13 23.297 4.601 1.333
129 H MET 14 H MET 14 19.249 9.411 0.536
130 HA MET 14 HA MET 14 18.208 8.215 -1.766
131 HB2 MET 14 2HB MET 14 17.096 9.963 -0.327
132 HB3 MET 14 3HB MET 14 18.106 11.163 -1.121
133 HG2 MET 14 2HG MET 14 16.545 11.352 -2.671
134 HG3 MET 14 3HG MET 14 16.938 9.715 -3.192
135 HE1 MET 14 1HE MET 14 14.953 8.616 -3.950
136 HE2 MET 14 2HE MET 14 15.435 7.562 -2.621
137 HE3 MET 14 3HE MET 14 13.735 7.978 -2.845
138 H ALA 15 H ALA 15 20.372 11.036 -1.492
139 HA ALA 15 HA ALA 15 20.803 11.171 -4.322
140 HB1 ALA 15 1HB ALA 15 21.365 13.235 -3.735
141 HB2 ALA 15 2HB ALA 15 21.405 12.785 -2.029
142 HB3 ALA 15 3HB ALA 15 22.847 12.590 -3.026
143 H HIS 16 H HIS 16 21.821 8.976 -2.133
144 HA HIS 16 HA HIS 16 24.483 8.647 -3.333
145 HB2 HIS 16 2HB HIS 16 23.454 8.284 -0.672
146 HB3 HIS 16 3HB HIS 16 24.112 6.760 -1.262
147 HD1 HIS 16 HD1 HIS 16 26.631 6.564 -1.437
148 HD2 HIS 16 HD2 HIS 16 25.359 10.404 -0.490
149 HE1 HIS 16 HE1 HIS 16 28.714 7.827 -0.810
150 H ILE 17 H ILE 17 21.323 7.370 -3.318
151 HA ILE 17 HA ILE 17 21.671 4.669 -3.778
152 HB ILE 17 HB ILE 17 19.554 4.664 -4.916
153 HG12 ILE 17 2HG1 ILE 17 20.135 7.585 -5.320
154 HG13 ILE 17 3HG1 ILE 17 19.676 6.376 -6.514
155 HG21 ILE 17 1HG2 ILE 17 19.755 5.254 -2.422
156 HG22 ILE 17 2HG2 ILE 17 19.292 6.881 -2.918
157 HG23 ILE 17 3HG2 ILE 17 18.207 5.525 -3.221
158 HD11 ILE 17 1HD1 ILE 17 17.427 6.291 -5.448
159 HD12 ILE 17 2HD1 ILE 17 17.918 7.653 -4.440
160 HD13 ILE 17 3HD1 ILE 17 17.832 7.837 -6.192
161 H ARG 18 H ARG 18 21.975 7.360 -6.045
162 HA ARG 18 HA ARG 18 22.989 5.466 -8.061
163 HB2 ARG 18 2HB ARG 18 22.351 7.112 -9.760
164 HB3 ARG 18 3HB ARG 18 20.966 6.633 -8.788
165 HG2 ARG 18 2HG ARG 18 21.567 8.751 -7.393
166 HG3 ARG 18 3HG ARG 18 22.419 9.232 -8.861
167 HD2 ARG 18 2HD ARG 18 19.508 8.462 -8.688
168 HD3 ARG 18 3HD ARG 18 20.128 10.108 -8.799
169 HE ARG 18 HE ARG 18 21.181 8.864 -10.975
170 HH11 ARG 18 1HH1 ARG 18 17.958 9.259 -9.719
171 HH12 ARG 18 2HH1 ARG 18 17.205 9.222 -11.279
172 HH21 ARG 18 1HH2 ARG 18 20.201 8.814 -13.034
173 HH22 ARG 18 2HH2 ARG 18 18.482 8.968 -13.164
Start of MODEL 14
1 H1 PHE 1 H PHE 1 5.331 2.345 -5.998
2 HA PHE 1 HA PHE 1 3.550 1.279 -5.021
3 HB2 PHE 1 2HB PHE 1 5.316 -0.509 -6.009
4 HB3 PHE 1 3HB PHE 1 5.253 -1.046 -4.333
5 HD1 PHE 1 HD1 PHE 1 3.859 -1.487 -7.474
6 HD2 PHE 1 HD2 PHE 1 2.754 -1.171 -3.376
7 HE1 PHE 1 HE1 PHE 1 1.770 -2.697 -7.948
8 HE2 PHE 1 HE2 PHE 1 0.663 -2.381 -3.843
9 HZ PHE 1 HZ PHE 1 0.169 -3.146 -6.131
10 H LEU 2 H LEU 2 6.369 0.306 -3.058
11 HA LEU 2 HA LEU 2 4.888 0.102 -0.654
12 HB2 LEU 2 2HB LEU 2 7.700 -0.065 -1.473
13 HB3 LEU 2 3HB LEU 2 7.451 0.491 0.180
14 HG LEU 2 HG LEU 2 6.207 -1.555 0.683
15 HD11 LEU 2 1HD1 LEU 2 6.070 -3.369 -0.898
16 HD12 LEU 2 2HD1 LEU 2 6.934 -2.424 -2.110
17 HD13 LEU 2 3HD1 LEU 2 5.322 -1.930 -1.592
18 HD21 LEU 2 1HD2 LEU 2 8.120 -3.154 0.423
19 HD22 LEU 2 2HD2 LEU 2 8.537 -1.610 1.166
20 HD23 LEU 2 3HD2 LEU 2 8.943 -1.914 -0.524
21 HA PRO 3 HA PRO 3 4.728 4.201 0.900
22 HB2 PRO 3 2HB PRO 3 5.240 3.849 3.543
23 HB3 PRO 3 3HB PRO 3 3.724 3.349 2.783
24 HG2 PRO 3 2HG PRO 3 6.126 1.704 3.479
25 HG3 PRO 3 3HG PRO 3 4.408 1.322 3.694
26 HD2 PRO 3 2HD PRO 3 5.873 0.336 1.641
27 HD3 PRO 3 3HD PRO 3 4.141 0.697 1.491
28 H LYS 4 H LYS 4 5.946 5.924 1.976
29 HA LYS 4 HA LYS 4 8.855 5.464 1.858
30 HB2 LYS 4 2HB LYS 4 8.642 8.138 1.471
31 HB3 LYS 4 3HB LYS 4 8.739 6.960 0.169
32 HG2 LYS 4 2HG LYS 4 6.504 7.128 -0.337
33 HG3 LYS 4 3HG LYS 4 6.071 7.691 1.280
34 HD2 LYS 4 2HD LYS 4 5.879 9.496 -0.347
35 HD3 LYS 4 3HD LYS 4 7.159 9.838 0.819
36 HE2 LYS 4 2HE LYS 4 8.843 9.154 -0.772
37 HE3 LYS 4 3HE LYS 4 7.601 8.660 -1.922
38 HZ1 LYS 4 1HZ LYS 4 8.797 11.073 -1.882
39 HZ2 LYS 4 2HZ LYS 4 7.366 11.393 -1.039
40 HZ3 LYS 4 3HZ LYS 4 7.300 10.752 -2.603
41 H LEU 5 H LEU 5 7.272 5.104 4.196
42 HA LEU 5 HA LEU 5 6.993 7.149 5.961
43 HB2 LEU 5 2HB LEU 5 7.858 5.422 7.705
44 HB3 LEU 5 3HB LEU 5 6.361 5.123 6.824
45 HG LEU 5 HG LEU 5 8.758 3.998 5.559
46 HD11 LEU 5 1HD1 LEU 5 9.385 2.473 7.122
47 HD12 LEU 5 2HD1 LEU 5 7.808 2.464 7.912
48 HD13 LEU 5 3HD1 LEU 5 8.930 3.794 8.198
49 HD21 LEU 5 1HD2 LEU 5 6.875 3.211 4.563
50 HD22 LEU 5 2HD2 LEU 5 5.915 3.314 6.039
51 HD23 LEU 5 3HD2 LEU 5 7.043 1.977 5.812
52 H PHE 6 H PHE 6 10.008 5.596 5.004
53 HA PHE 6 HA PHE 6 11.467 7.710 6.448
54 HB2 PHE 6 2HB PHE 6 11.636 5.106 7.104
55 HB3 PHE 6 3HB PHE 6 12.873 5.166 5.852
56 HD1 PHE 6 HD1 PHE 6 15.014 5.857 6.380
57 HD2 PHE 6 HD2 PHE 6 11.796 6.883 8.970
58 HE1 PHE 6 HE1 PHE 6 16.619 6.769 8.007
59 HE2 PHE 6 HE2 PHE 6 13.395 7.797 10.601
60 HZ PHE 6 HZ PHE 6 15.810 7.742 10.120
61 H ALA 7 H ALA 7 10.700 6.396 3.475
62 HA ALA 7 HA ALA 7 13.156 6.813 2.086
63 HB1 ALA 7 1HB ALA 7 10.818 5.538 1.495
64 HB2 ALA 7 2HB ALA 7 10.710 6.983 0.488
65 HB3 ALA 7 3HB ALA 7 12.096 5.903 0.335
66 H LYS 8 H LYS 8 10.457 8.828 2.955
67 HA LYS 8 HA LYS 8 11.265 10.963 1.154
68 HB2 LYS 8 2HB LYS 8 9.333 12.178 2.118
69 HB3 LYS 8 3HB LYS 8 8.889 10.612 1.452
70 HG2 LYS 8 2HG LYS 8 8.039 9.973 3.392
71 HG3 LYS 8 3HG LYS 8 9.553 10.333 4.225
72 HD2 LYS 8 2HD LYS 8 7.965 11.696 5.280
73 HD3 LYS 8 3HD LYS 8 8.798 12.776 4.160
74 HE2 LYS 8 2HE LYS 8 6.987 12.568 2.566
75 HE3 LYS 8 3HE LYS 8 6.176 11.393 3.599
76 HZ1 LYS 8 1HZ LYS 8 6.757 13.827 4.978
77 HZ2 LYS 8 2HZ LYS 8 5.286 13.007 4.815
78 HZ3 LYS 8 3HZ LYS 8 5.787 14.093 3.618
79 H ILE 9 H ILE 9 11.426 10.132 4.552
80 HA ILE 9 HA ILE 9 12.300 12.703 5.439
81 HB ILE 9 HB ILE 9 12.545 11.780 7.559
82 HG12 ILE 9 2HG1 ILE 9 12.577 9.099 7.637
83 HG13 ILE 9 3HG1 ILE 9 13.336 9.333 6.066
84 HG21 ILE 9 1HG2 ILE 9 10.650 9.682 6.750
85 HG22 ILE 9 2HG2 ILE 9 10.469 10.988 7.919
86 HG23 ILE 9 3HG2 ILE 9 10.257 11.310 6.199
87 HD11 ILE 9 1HD1 ILE 9 14.385 9.789 8.748
88 HD12 ILE 9 2HD1 ILE 9 15.229 9.471 7.232
89 HD13 ILE 9 3HD1 ILE 9 14.699 11.108 7.620
90 H THR 10 H THR 10 13.858 9.892 4.128
91 HA THR 10 HA THR 10 16.507 10.706 4.968
92 HB THR 10 HB THR 10 17.243 8.787 3.485
93 HG1 THR 10 HG1 THR 10 15.458 7.338 2.941
94 HG21 THR 10 1HG2 THR 10 15.244 8.184 5.669
95 HG22 THR 10 2HG2 THR 10 16.961 8.516 5.896
96 HG23 THR 10 3HG2 THR 10 16.449 7.061 5.042
97 H LYS 11 H LYS 11 17.699 12.145 3.924
98 HA LYS 11 HA LYS 11 17.206 12.565 1.048
99 HB2 LYS 11 2HB LYS 11 18.077 14.921 1.505
100 HB3 LYS 11 3HB LYS 11 16.465 14.540 2.096
101 HG2 LYS 11 2HG LYS 11 18.772 14.155 3.930
102 HG3 LYS 11 3HG LYS 11 18.215 15.797 3.598
103 HD2 LYS 11 2HD LYS 11 15.864 14.826 4.132
104 HD3 LYS 11 3HD LYS 11 16.771 13.536 4.926
105 HE2 LYS 11 2HE LYS 11 16.743 14.880 6.717
106 HE3 LYS 11 3HE LYS 11 18.011 15.775 5.880
107 HZ1 LYS 11 1HZ LYS 11 16.581 17.430 5.285
108 HZ2 LYS 11 2HZ LYS 11 15.874 16.971 6.752
109 HZ3 LYS 11 3HZ LYS 11 15.216 16.432 5.290
110 H LYS 12 H LYS 12 19.199 10.938 2.767
111 HA LYS 12 HA LYS 12 21.688 12.047 1.670
112 HB2 LYS 12 2HB LYS 12 21.937 9.717 3.420
113 HB3 LYS 12 3HB LYS 12 22.760 11.270 3.491
114 HG2 LYS 12 2HG LYS 12 20.587 12.190 4.452
115 HG3 LYS 12 3HG LYS 12 20.112 10.504 4.672
116 HD2 LYS 12 2HD LYS 12 21.657 10.141 6.316
117 HD3 LYS 12 3HD LYS 12 22.787 11.332 5.666
118 HE2 LYS 12 2HE LYS 12 21.980 12.248 7.683
119 HE3 LYS 12 3HE LYS 12 21.128 13.100 6.397
120 HZ1 LYS 12 1HZ LYS 12 20.083 11.437 8.476
121 HZ2 LYS 12 2HZ LYS 12 19.529 10.965 6.949
122 HZ3 LYS 12 3HZ LYS 12 19.284 12.551 7.484
123 H ASN 13 H ASN 13 20.558 8.740 2.369
124 HA ASN 13 HA ASN 13 22.061 7.557 0.307
125 HB2 ASN 13 2HB ASN 13 20.225 6.695 2.347
126 HB3 ASN 13 3HB ASN 13 19.839 5.892 0.828
127 HD21 ASN 13 1HD2 ASN 13 21.279 4.451 -0.056
128 HD22 ASN 13 2HD2 ASN 13 22.652 3.852 0.804
129 H MET 14 H MET 14 19.105 9.266 0.253
130 HA MET 14 HA MET 14 17.784 8.079 -1.906
131 HB2 MET 14 2HB MET 14 16.877 9.854 -0.361
132 HB3 MET 14 3HB MET 14 17.811 11.032 -1.274
133 HG2 MET 14 2HG MET 14 16.084 11.242 -2.635
134 HG3 MET 14 3HG MET 14 16.386 9.596 -3.187
135 HE1 MET 14 1HE MET 14 14.016 7.391 -1.406
136 HE2 MET 14 2HE MET 14 14.011 7.894 -3.096
137 HE3 MET 14 3HE MET 14 15.541 7.608 -2.265
138 H ALA 15 H ALA 15 20.016 10.860 -1.902
139 HA ALA 15 HA ALA 15 20.121 10.974 -4.763
140 HB1 ALA 15 1HB ALA 15 21.771 12.716 -4.451
141 HB2 ALA 15 2HB ALA 15 20.418 12.967 -3.347
142 HB3 ALA 15 3HB ALA 15 21.933 12.293 -2.746
143 H HIS 16 H HIS 16 21.343 8.770 -2.691
144 HA HIS 16 HA HIS 16 23.844 8.385 -4.186
145 HB2 HIS 16 2HB HIS 16 23.121 8.055 -1.423
146 HB3 HIS 16 3HB HIS 16 23.680 6.516 -2.074
147 HD1 HIS 16 HD1 HIS 16 25.105 8.762 -0.078
148 HD2 HIS 16 HD2 HIS 16 26.130 7.636 -3.943
149 HE1 HIS 16 HE1 HIS 16 27.536 9.355 -0.328
150 H ILE 17 H ILE 17 20.684 7.168 -3.799
151 HA ILE 17 HA ILE 17 20.928 4.459 -4.278
152 HB ILE 17 HB ILE 17 18.694 4.488 -5.164
153 HG12 ILE 17 2HG1 ILE 17 19.277 7.396 -5.652
154 HG13 ILE 17 3HG1 ILE 17 18.664 6.190 -6.778
155 HG21 ILE 17 1HG2 ILE 17 19.192 5.087 -2.715
156 HG22 ILE 17 2HG2 ILE 17 18.704 6.720 -3.165
157 HG23 ILE 17 3HG2 ILE 17 17.567 5.383 -3.332
158 HD11 ILE 17 1HD1 ILE 17 16.894 7.686 -6.256
159 HD12 ILE 17 2HD1 ILE 17 16.551 6.151 -5.457
160 HD13 ILE 17 3HD1 ILE 17 17.178 7.510 -4.525
161 H ARG 18 H ARG 18 21.018 7.133 -6.583
162 HA ARG 18 HA ARG 18 20.895 5.758 -8.972
163 HB2 ARG 18 2HB ARG 18 21.709 8.362 -8.102
164 HB3 ARG 18 3HB ARG 18 22.870 7.768 -9.282
165 HG2 ARG 18 2HG ARG 18 21.268 7.610 -10.963
166 HG3 ARG 18 3HG ARG 18 19.927 7.641 -9.815
167 HD2 ARG 18 2HD ARG 18 19.979 9.766 -10.871
168 HD3 ARG 18 3HD ARG 18 20.611 9.990 -9.241
169 HE ARG 18 HE ARG 18 22.621 10.597 -10.146
170 HH11 ARG 18 1HH1 ARG 18 20.722 8.984 -12.578
171 HH12 ARG 18 2HH1 ARG 18 21.831 9.334 -13.862
172 HH21 ARG 18 1HH2 ARG 18 24.088 11.065 -11.828
173 HH22 ARG 18 2HH2 ARG 18 23.746 10.517 -13.434
Start of MODEL 15
1 H1 PHE 1 H PHE 1 4.417 -0.578 -5.291
2 HA PHE 1 HA PHE 1 7.237 -1.371 -5.013
3 HB2 PHE 1 2HB PHE 1 6.285 1.047 -6.125
4 HB3 PHE 1 3HB PHE 1 6.926 1.445 -4.535
5 HD1 PHE 1 HD1 PHE 1 7.719 0.236 -7.884
6 HD2 PHE 1 HD2 PHE 1 9.278 1.154 -4.032
7 HE1 PHE 1 HE1 PHE 1 10.002 0.192 -8.801
8 HE2 PHE 1 HE2 PHE 1 11.563 1.112 -4.943
9 HZ PHE 1 HZ PHE 1 11.927 0.631 -7.330
10 H LEU 2 H LEU 2 8.217 -0.269 -3.004
11 HA LEU 2 HA LEU 2 6.434 -0.852 -0.778
12 HB2 LEU 2 2HB LEU 2 9.352 -0.703 -1.194
13 HB3 LEU 2 3HB LEU 2 8.772 -0.231 0.401
14 HG LEU 2 HG LEU 2 7.702 -2.433 0.645
15 HD11 LEU 2 1HD1 LEU 2 7.178 -3.228 -1.447
16 HD12 LEU 2 2HD1 LEU 2 8.619 -4.171 -1.071
17 HD13 LEU 2 3HD1 LEU 2 8.736 -2.768 -2.133
18 HD21 LEU 2 1HD2 LEU 2 9.988 -3.743 0.463
19 HD22 LEU 2 2HD2 LEU 2 9.736 -2.492 1.680
20 HD23 LEU 2 3HD2 LEU 2 10.625 -2.120 0.203
21 HA PRO 3 HA PRO 3 5.702 3.278 0.509
22 HB2 PRO 3 2HB PRO 3 5.892 3.094 3.211
23 HB3 PRO 3 3HB PRO 3 4.540 2.417 2.295
24 HG2 PRO 3 2HG PRO 3 6.969 1.044 3.381
25 HG3 PRO 3 3HG PRO 3 5.278 0.508 3.398
26 HD2 PRO 3 2HD PRO 3 7.084 -0.421 1.607
27 HD3 PRO 3 3HD PRO 3 5.361 -0.237 1.218
28 H LYS 4 H LYS 4 6.639 5.186 1.403
29 HA LYS 4 HA LYS 4 9.543 4.980 1.866
30 HB2 LYS 4 2HB LYS 4 9.229 7.544 1.037
31 HB3 LYS 4 3HB LYS 4 9.648 6.208 -0.027
32 HG2 LYS 4 2HG LYS 4 7.537 6.086 -0.932
33 HG3 LYS 4 3HG LYS 4 6.777 6.843 0.471
34 HD2 LYS 4 2HD LYS 4 6.756 8.383 -1.392
35 HD3 LYS 4 3HD LYS 4 7.854 8.981 -0.145
36 HE2 LYS 4 2HE LYS 4 9.438 7.383 -1.785
37 HE3 LYS 4 3HE LYS 4 8.392 8.266 -2.896
38 HZ1 LYS 4 1HZ LYS 4 10.419 9.292 -1.041
39 HZ2 LYS 4 2HZ LYS 4 9.087 10.270 -1.401
40 HZ3 LYS 4 3HZ LYS 4 10.104 9.734 -2.643
41 H LEU 5 H LEU 5 7.557 4.822 3.914
42 HA LEU 5 HA LEU 5 6.840 7.066 5.263
43 HB2 LEU 5 2HB LEU 5 7.239 4.335 5.900
44 HB3 LEU 5 3HB LEU 5 7.977 5.292 7.183
45 HG LEU 5 HG LEU 5 5.487 6.463 6.798
46 HD11 LEU 5 1HD1 LEU 5 3.924 4.926 6.336
47 HD12 LEU 5 2HD1 LEU 5 4.758 3.659 7.236
48 HD13 LEU 5 3HD1 LEU 5 5.252 4.040 5.586
49 HD21 LEU 5 1HD2 LEU 5 5.928 4.346 8.857
50 HD22 LEU 5 2HD2 LEU 5 5.154 5.923 9.014
51 HD23 LEU 5 3HD2 LEU 5 6.909 5.811 8.882
52 H PHE 6 H PHE 6 10.063 5.649 5.109
53 HA PHE 6 HA PHE 6 11.104 8.059 6.447
54 HB2 PHE 6 2HB PHE 6 11.294 5.597 7.514
55 HB3 PHE 6 3HB PHE 6 12.737 5.582 6.506
56 HD1 PHE 6 HD1 PHE 6 14.700 6.515 7.291
57 HD2 PHE 6 HD2 PHE 6 11.003 7.626 9.084
58 HE1 PHE 6 HE1 PHE 6 15.920 7.777 9.016
59 HE2 PHE 6 HE2 PHE 6 12.216 8.891 10.811
60 HZ PHE 6 HZ PHE 6 14.678 8.968 10.778
61 H ALA 7 H ALA 7 10.983 6.283 3.622
62 HA ALA 7 HA ALA 7 13.629 6.703 2.643
63 HB1 ALA 7 1HB ALA 7 12.970 5.481 0.884
64 HB2 ALA 7 2HB ALA 7 11.528 5.164 1.849
65 HB3 ALA 7 3HB ALA 7 11.513 6.443 0.636
66 H LYS 8 H LYS 8 10.705 8.587 2.696
67 HA LYS 8 HA LYS 8 11.715 10.509 0.763
68 HB2 LYS 8 2HB LYS 8 9.572 11.683 1.175
69 HB3 LYS 8 3HB LYS 8 9.350 10.009 0.685
70 HG2 LYS 8 2HG LYS 8 8.195 9.568 2.520
71 HG3 LYS 8 3HG LYS 8 9.496 10.179 3.544
72 HD2 LYS 8 2HD LYS 8 7.786 11.607 4.113
73 HD3 LYS 8 3HD LYS 8 8.558 12.516 2.812
74 HE2 LYS 8 2HE LYS 8 6.255 12.610 2.350
75 HE3 LYS 8 3HE LYS 8 6.898 11.391 1.250
76 HZ1 LYS 8 1HZ LYS 8 6.029 9.666 2.570
77 HZ2 LYS 8 2HZ LYS 8 4.780 10.798 2.430
78 HZ3 LYS 8 3HZ LYS 8 5.679 10.703 3.860
79 H ILE 9 H ILE 9 11.285 10.179 4.223
80 HA ILE 9 HA ILE 9 11.833 12.912 4.846
81 HB ILE 9 HB ILE 9 11.724 12.320 7.091
82 HG12 ILE 9 2HG1 ILE 9 11.894 9.690 7.585
83 HG13 ILE 9 3HG1 ILE 9 12.920 9.763 6.157
84 HG21 ILE 9 1HG2 ILE 9 9.764 11.475 5.436
85 HG22 ILE 9 2HG2 ILE 9 10.139 9.978 6.287
86 HG23 ILE 9 3HG2 ILE 9 9.666 11.413 7.195
87 HD11 ILE 9 1HD1 ILE 9 14.542 10.203 7.626
88 HD12 ILE 9 2HD1 ILE 9 13.881 11.839 7.618
89 HD13 ILE 9 3HD1 ILE 9 13.407 10.702 8.880
90 H THR 10 H THR 10 13.762 10.084 4.277
91 HA THR 10 HA THR 10 16.157 11.224 5.439
92 HB THR 10 HB THR 10 17.264 9.184 4.420
93 HG1 THR 10 HG1 THR 10 16.067 7.794 3.307
94 HG21 THR 10 1HG2 THR 10 14.929 8.732 6.284
95 HG22 THR 10 2HG2 THR 10 16.554 9.230 6.755
96 HG23 THR 10 3HG2 THR 10 16.289 7.633 6.058
97 H LYS 11 H LYS 11 17.442 12.597 4.415
98 HA LYS 11 HA LYS 11 17.181 12.932 1.527
99 HB2 LYS 11 2HB LYS 11 18.503 14.984 1.864
100 HB3 LYS 11 3HB LYS 11 17.071 14.948 2.885
101 HG2 LYS 11 2HG LYS 11 18.470 15.532 4.521
102 HG3 LYS 11 3HG LYS 11 18.939 13.830 4.521
103 HD2 LYS 11 2HD LYS 11 20.873 14.239 3.286
104 HD3 LYS 11 3HD LYS 11 20.280 15.793 2.694
105 HE2 LYS 11 2HE LYS 11 20.415 15.782 5.571
106 HE3 LYS 11 3HE LYS 11 21.971 15.330 4.876
107 HZ1 LYS 11 1HZ LYS 11 21.177 17.849 5.224
108 HZ2 LYS 11 2HZ LYS 11 20.658 17.598 3.634
109 HZ3 LYS 11 3HZ LYS 11 22.286 17.375 4.037
110 H LYS 12 H LYS 12 18.695 10.729 3.048
111 HA LYS 12 HA LYS 12 21.353 11.143 1.865
112 HB2 LYS 12 2HB LYS 12 20.992 8.747 3.504
113 HB3 LYS 12 3HB LYS 12 22.231 9.992 3.588
114 HG2 LYS 12 2HG LYS 12 20.452 11.444 4.702
115 HG3 LYS 12 3HG LYS 12 19.532 9.949 4.892
116 HD2 LYS 12 2HD LYS 12 20.685 10.059 6.892
117 HD3 LYS 12 3HD LYS 12 21.744 9.036 5.918
118 HE2 LYS 12 2HE LYS 12 22.995 11.144 5.302
119 HE3 LYS 12 3HE LYS 12 22.059 11.962 6.552
120 HZ1 LYS 12 1HZ LYS 12 23.518 11.242 8.032
121 HZ2 LYS 12 2HZ LYS 12 24.373 10.396 6.843
122 HZ3 LYS 12 3HZ LYS 12 23.109 9.639 7.675
123 H ASN 13 H ASN 13 19.351 8.262 2.490
124 HA ASN 13 HA ASN 13 20.365 6.797 0.323
125 HB2 ASN 13 2HB ASN 13 18.397 6.427 2.387
126 HB3 ASN 13 3HB ASN 13 17.754 5.855 0.850
127 HD21 ASN 13 1HD2 ASN 13 19.640 5.097 3.492
128 HD22 ASN 13 2HD2 ASN 13 20.411 3.681 2.870
129 H MET 14 H MET 14 18.063 9.318 0.442
130 HA MET 14 HA MET 14 16.403 8.693 -1.718
131 HB2 MET 14 2HB MET 14 16.105 10.579 -0.069
132 HB3 MET 14 3HB MET 14 17.333 11.465 -0.964
133 HG2 MET 14 2HG MET 14 15.724 12.254 -2.255
134 HG3 MET 14 3HG MET 14 15.502 10.623 -2.885
135 HE1 MET 14 1HE MET 14 12.823 9.751 -2.887
136 HE2 MET 14 2HE MET 14 14.068 8.914 -1.960
137 HE3 MET 14 3HE MET 14 12.488 9.222 -1.238
138 H ALA 15 H ALA 15 19.370 10.670 -1.674
139 HA ALA 15 HA ALA 15 19.447 10.891 -4.530
140 HB1 ALA 15 1HB ALA 15 21.088 12.401 -4.210
141 HB2 ALA 15 2HB ALA 15 20.517 12.360 -2.542
142 HB3 ALA 15 3HB ALA 15 21.921 11.404 -3.017
143 H HIS 16 H HIS 16 19.988 8.320 -2.595
144 HA HIS 16 HA HIS 16 22.224 7.276 -4.190
145 HB2 HIS 16 2HB HIS 16 21.491 7.039 -1.420
146 HB3 HIS 16 3HB HIS 16 21.545 5.439 -2.154
147 HD1 HIS 16 HD1 HIS 16 23.822 4.477 -2.688
148 HD2 HIS 16 HD2 HIS 16 23.981 8.447 -1.474
149 HE1 HIS 16 HE1 HIS 16 26.262 4.976 -2.343
150 H ILE 17 H ILE 17 18.853 7.048 -3.746
151 HA ILE 17 HA ILE 17 18.256 4.419 -4.347
152 HB ILE 17 HB ILE 17 16.119 5.164 -5.154
153 HG12 ILE 17 2HG1 ILE 17 17.544 7.782 -5.539
154 HG13 ILE 17 3HG1 ILE 17 16.571 6.875 -6.693
155 HG21 ILE 17 1HG2 ILE 17 16.823 5.461 -2.700
156 HG22 ILE 17 2HG2 ILE 17 16.843 7.185 -3.064
157 HG23 ILE 17 3HG2 ILE 17 15.351 6.263 -3.248
158 HD11 ILE 17 1HD1 ILE 17 15.600 8.466 -4.336
159 HD12 ILE 17 2HD1 ILE 17 15.346 8.804 -6.048
160 HD13 ILE 17 3HD1 ILE 17 14.573 7.407 -5.301
161 H ARG 18 H ARG 18 19.104 7.055 -6.539
162 HA ARG 18 HA ARG 18 18.628 5.586 -8.930
163 HB2 ARG 18 2HB ARG 18 19.980 8.161 -8.247
164 HB3 ARG 18 3HB ARG 18 20.259 7.453 -9.832
165 HG2 ARG 18 2HG ARG 18 17.798 7.410 -10.179
166 HG3 ARG 18 3HG ARG 18 17.618 8.280 -8.654
167 HD2 ARG 18 2HD ARG 18 19.552 9.663 -10.174
168 HD3 ARG 18 3HD ARG 18 18.207 9.303 -11.257
169 HE ARG 18 HE ARG 18 17.216 10.322 -8.826
170 HH11 ARG 18 1HH1 ARG 18 18.939 11.328 -11.678
171 HH12 ARG 18 2HH1 ARG 18 18.371 12.963 -11.604
172 HH21 ARG 18 1HH2 ARG 18 16.460 12.471 -8.717
173 HH22 ARG 18 2HH2 ARG 18 16.962 13.612 -9.918
Start of MODEL 16
1 H1 PHE 1 H PHE 1 5.572 1.309 -4.308
2 HA PHE 1 HA PHE 1 2.958 -0.039 -4.140
3 HB2 PHE 1 2HB PHE 1 5.652 -0.972 -4.949
4 HB3 PHE 1 3HB PHE 1 4.700 -2.093 -3.982
5 HD1 PHE 1 HD1 PHE 1 3.302 -3.548 -5.074
6 HD2 PHE 1 HD2 PHE 1 4.329 0.130 -6.954
7 HE1 PHE 1 HE1 PHE 1 2.067 -4.236 -7.088
8 HE2 PHE 1 HE2 PHE 1 3.096 -0.552 -8.970
9 HZ PHE 1 HZ PHE 1 1.961 -2.737 -9.039
10 H LEU 2 H LEU 2 5.812 0.919 -2.427
11 HA LEU 2 HA LEU 2 4.718 -0.293 0.026
12 HB2 LEU 2 2HB LEU 2 7.224 -0.040 0.764
13 HB3 LEU 2 3HB LEU 2 6.675 -1.445 -0.148
14 HG LEU 2 HG LEU 2 7.703 0.811 -1.751
15 HD11 LEU 2 1HD1 LEU 2 10.058 -0.264 -1.280
16 HD12 LEU 2 2HD1 LEU 2 9.335 -0.607 0.291
17 HD13 LEU 2 3HD1 LEU 2 9.439 1.056 -0.287
18 HD21 LEU 2 1HD2 LEU 2 7.202 -1.973 -2.018
19 HD22 LEU 2 2HD2 LEU 2 8.923 -1.693 -2.287
20 HD23 LEU 2 3HD2 LEU 2 7.726 -0.824 -3.249
21 HA PRO 3 HA PRO 3 4.571 3.677 1.890
22 HB2 PRO 3 2HB PRO 3 5.330 3.146 4.442
23 HB3 PRO 3 3HB PRO 3 3.767 2.651 3.782
24 HG2 PRO 3 2HG PRO 3 6.268 1.045 4.133
25 HG3 PRO 3 3HG PRO 3 4.588 0.587 4.469
26 HD2 PRO 3 2HD PRO 3 5.889 -0.190 2.225
27 HD3 PRO 3 3HD PRO 3 4.141 0.120 2.257
28 H LYS 4 H LYS 4 5.809 5.447 2.526
29 HA LYS 4 HA LYS 4 8.727 5.024 2.496
30 HB2 LYS 4 2HB LYS 4 8.475 7.619 1.750
31 HB3 LYS 4 3HB LYS 4 8.606 6.278 0.620
32 HG2 LYS 4 2HG LYS 4 6.373 6.336 0.077
33 HG3 LYS 4 3HG LYS 4 5.914 7.106 1.598
34 HD2 LYS 4 2HD LYS 4 5.712 8.668 -0.263
35 HD3 LYS 4 3HD LYS 4 6.972 9.189 0.858
36 HE2 LYS 4 2HE LYS 4 8.691 8.395 -0.603
37 HE3 LYS 4 3HE LYS 4 7.511 7.614 -1.654
38 HZ1 LYS 4 1HZ LYS 4 8.537 10.042 -2.092
39 HZ2 LYS 4 2HZ LYS 4 7.121 10.456 -1.266
40 HZ3 LYS 4 3HZ LYS 4 7.035 9.534 -2.682
41 H LEU 5 H LEU 5 7.113 4.961 4.846
42 HA LEU 5 HA LEU 5 6.787 7.218 6.317
43 HB2 LEU 5 2HB LEU 5 6.875 4.522 6.854
44 HB3 LEU 5 3HB LEU 5 8.183 5.164 7.846
45 HG LEU 5 HG LEU 5 5.437 6.362 7.961
46 HD11 LEU 5 1HD1 LEU 5 6.429 3.919 9.415
47 HD12 LEU 5 2HD1 LEU 5 5.021 4.048 8.362
48 HD13 LEU 5 3HD1 LEU 5 5.033 4.870 9.922
49 HD21 LEU 5 1HD2 LEU 5 6.206 7.479 9.755
50 HD22 LEU 5 2HD2 LEU 5 7.788 7.141 9.052
51 HD23 LEU 5 3HD2 LEU 5 7.154 6.109 10.334
52 H PHE 6 H PHE 6 9.837 5.600 5.610
53 HA PHE 6 HA PHE 6 11.246 7.917 6.763
54 HB2 PHE 6 2HB PHE 6 11.447 5.429 7.771
55 HB3 PHE 6 3HB PHE 6 12.700 5.341 6.537
56 HD1 PHE 6 HD1 PHE 6 14.822 6.135 6.992
57 HD2 PHE 6 HD2 PHE 6 11.551 7.447 9.379
58 HE1 PHE 6 HE1 PHE 6 16.388 7.290 8.498
59 HE2 PHE 6 HE2 PHE 6 13.112 8.605 10.888
60 HZ PHE 6 HZ PHE 6 15.534 8.528 10.448
61 H ALA 7 H ALA 7 10.535 6.195 3.992
62 HA ALA 7 HA ALA 7 13.001 6.457 2.584
63 HB1 ALA 7 1HB ALA 7 10.692 5.074 2.151
64 HB2 ALA 7 2HB ALA 7 10.571 6.365 0.955
65 HB3 ALA 7 3HB ALA 7 11.976 5.299 0.963
66 H LYS 8 H LYS 8 10.266 8.529 3.145
67 HA LYS 8 HA LYS 8 11.061 10.409 1.073
68 HB2 LYS 8 2HB LYS 8 9.100 11.713 1.842
69 HB3 LYS 8 3HB LYS 8 8.687 10.064 1.392
70 HG2 LYS 8 2HG LYS 8 7.825 9.678 3.392
71 HG3 LYS 8 3HG LYS 8 9.321 10.179 4.185
72 HD2 LYS 8 2HD LYS 8 7.770 11.678 5.036
73 HD3 LYS 8 3HD LYS 8 8.482 12.583 3.698
74 HE2 LYS 8 2HE LYS 8 6.219 10.965 2.863
75 HE3 LYS 8 3HE LYS 8 5.787 12.116 4.126
76 HZ1 LYS 8 1HZ LYS 8 6.711 13.893 2.783
77 HZ2 LYS 8 2HZ LYS 8 5.516 13.065 1.918
78 HZ3 LYS 8 3HZ LYS 8 7.150 12.793 1.575
79 H ILE 9 H ILE 9 11.192 10.055 4.555
80 HA ILE 9 HA ILE 9 12.016 12.737 5.090
81 HB ILE 9 HB ILE 9 12.250 12.117 7.319
82 HG12 ILE 9 2HG1 ILE 9 12.318 9.474 7.764
83 HG13 ILE 9 3HG1 ILE 9 13.092 9.501 6.183
84 HG21 ILE 9 1HG2 ILE 9 10.394 9.900 6.788
85 HG22 ILE 9 2HG2 ILE 9 10.181 11.353 7.763
86 HG23 ILE 9 3HG2 ILE 9 9.985 11.429 6.012
87 HD11 ILE 9 1HD1 ILE 9 14.091 10.374 8.789
88 HD12 ILE 9 2HD1 ILE 9 14.962 9.801 7.366
89 HD13 ILE 9 3HD1 ILE 9 14.432 11.481 7.459
90 H THR 10 H THR 10 13.633 9.799 4.194
91 HA THR 10 HA THR 10 16.259 10.766 4.941
92 HB THR 10 HB THR 10 17.043 8.674 3.746
93 HG1 THR 10 HG1 THR 10 15.606 7.639 2.603
94 HG21 THR 10 1HG2 THR 10 16.731 8.734 6.168
95 HG22 THR 10 2HG2 THR 10 16.256 7.165 5.517
96 HG23 THR 10 3HG2 THR 10 15.023 8.343 5.968
97 H LYS 11 H LYS 11 17.441 12.068 3.720
98 HA LYS 11 HA LYS 11 16.973 12.084 0.810
99 HB2 LYS 11 2HB LYS 11 17.812 14.490 0.947
100 HB3 LYS 11 3HB LYS 11 16.201 14.174 1.578
101 HG2 LYS 11 2HG LYS 11 18.503 14.070 3.456
102 HG3 LYS 11 3HG LYS 11 17.929 15.645 2.901
103 HD2 LYS 11 2HD LYS 11 15.583 14.694 3.549
104 HD3 LYS 11 3HD LYS 11 16.525 13.581 4.544
105 HE2 LYS 11 2HE LYS 11 17.189 15.212 5.977
106 HE3 LYS 11 3HE LYS 11 17.229 16.449 4.722
107 HZ1 LYS 11 1HZ LYS 11 15.215 15.949 6.605
108 HZ2 LYS 11 2HZ LYS 11 14.574 15.656 5.068
109 HZ3 LYS 11 3HZ LYS 11 15.269 17.157 5.422
110 H LYS 12 H LYS 12 18.967 10.727 2.747
111 HA LYS 12 HA LYS 12 21.497 11.791 1.790
112 HB2 LYS 12 2HB LYS 12 21.494 11.120 4.079
113 HB3 LYS 12 3HB LYS 12 20.780 9.560 3.690
114 HG2 LYS 12 2HG LYS 12 23.224 9.846 2.246
115 HG3 LYS 12 3HG LYS 12 23.506 10.217 3.949
116 HD2 LYS 12 2HD LYS 12 21.823 7.859 3.466
117 HD3 LYS 12 3HD LYS 12 23.485 7.710 2.890
118 HE2 LYS 12 2HE LYS 12 24.065 8.680 5.252
119 HE3 LYS 12 3HE LYS 12 22.459 8.084 5.668
120 HZ1 LYS 12 1HZ LYS 12 23.430 6.129 5.989
121 HZ2 LYS 12 2HZ LYS 12 24.881 6.629 5.278
122 HZ3 LYS 12 3HZ LYS 12 23.632 6.019 4.313
123 H ASN 13 H ASN 13 20.453 8.406 2.054
124 HA ASN 13 HA ASN 13 22.003 7.588 -0.169
125 HB2 ASN 13 2HB ASN 13 20.366 6.343 1.842
126 HB3 ASN 13 3HB ASN 13 19.973 5.670 0.262
127 HD21 ASN 13 1HD2 ASN 13 22.272 5.855 2.787
128 HD22 ASN 13 2HD2 ASN 13 23.436 4.771 2.112
129 H MET 14 H MET 14 18.903 8.999 0.093
130 HA MET 14 HA MET 14 17.584 7.923 -2.124
131 HB2 MET 14 2HB MET 14 16.601 9.429 -0.356
132 HB3 MET 14 3HB MET 14 17.373 10.781 -1.174
133 HG2 MET 14 2HG MET 14 15.564 10.965 -2.427
134 HG3 MET 14 3HG MET 14 15.986 9.423 -3.170
135 HE1 MET 14 1HE MET 14 12.847 8.160 -3.171
136 HE2 MET 14 2HE MET 14 12.344 9.812 -2.812
137 HE3 MET 14 3HE MET 14 13.743 9.520 -3.847
138 H ALA 15 H ALA 15 19.548 10.891 -1.912
139 HA ALA 15 HA ALA 15 19.489 11.315 -4.745
140 HB1 ALA 15 1HB ALA 15 20.891 13.199 -4.338
141 HB2 ALA 15 2HB ALA 15 19.699 13.133 -3.039
142 HB3 ALA 15 3HB ALA 15 21.351 12.587 -2.748
143 H HIS 16 H HIS 16 21.018 9.035 -2.982
144 HA HIS 16 HA HIS 16 23.459 9.054 -4.617
145 HB2 HIS 16 2HB HIS 16 22.919 8.365 -1.878
146 HB3 HIS 16 3HB HIS 16 23.580 6.966 -2.718
147 HD1 HIS 16 HD1 HIS 16 24.546 10.600 -3.217
148 HD2 HIS 16 HD2 HIS 16 26.168 7.018 -1.876
149 HE1 HIS 16 HE1 HIS 16 26.985 11.072 -2.827
150 H ILE 17 H ILE 17 20.450 7.502 -4.230
151 HA ILE 17 HA ILE 17 20.916 4.895 -5.014
152 HB ILE 17 HB ILE 17 18.645 4.800 -5.794
153 HG12 ILE 17 2HG1 ILE 17 18.930 7.786 -5.985
154 HG13 ILE 17 3HG1 ILE 17 18.371 6.651 -7.209
155 HG21 ILE 17 1HG2 ILE 17 17.539 5.383 -3.828
156 HG22 ILE 17 2HG2 ILE 17 19.214 5.182 -3.318
157 HG23 ILE 17 3HG2 ILE 17 18.556 6.799 -3.564
158 HD11 ILE 17 1HD1 ILE 17 16.502 7.904 -6.450
159 HD12 ILE 17 2HD1 ILE 17 16.345 6.268 -5.809
160 HD13 ILE 17 3HD1 ILE 17 16.894 7.577 -4.762
161 H ARG 18 H ARG 18 20.635 7.793 -7.013
162 HA ARG 18 HA ARG 18 20.841 6.339 -9.484
163 HB2 ARG 18 2HB ARG 18 20.901 8.530 -10.542
164 HB3 ARG 18 3HB ARG 18 19.619 8.471 -9.341
165 HG2 ARG 18 2HG ARG 18 20.540 10.087 -8.100
166 HG3 ARG 18 3HG ARG 18 22.174 9.455 -8.314
167 HD2 ARG 18 2HD ARG 18 20.783 10.782 -10.600
168 HD3 ARG 18 3HD ARG 18 21.514 11.766 -9.333
169 HE ARG 18 HE ARG 18 22.874 10.334 -11.391
170 HH11 ARG 18 1HH1 ARG 18 23.137 11.447 -8.103
171 HH12 ARG 18 2HH1 ARG 18 24.869 11.500 -8.122
172 HH21 ARG 18 1HH2 ARG 18 25.154 10.399 -11.428
173 HH22 ARG 18 2HH2 ARG 18 26.015 10.905 -10.014
Start of MODEL 17
1 H1 PHE 1 H PHE 1 4.951 -3.878 -3.750
2 HA PHE 1 HA PHE 1 6.438 -1.383 -4.159
3 HB2 PHE 1 2HB PHE 1 3.819 -1.861 -5.113
4 HB3 PHE 1 3HB PHE 1 3.662 -0.785 -3.728
5 HD1 PHE 1 HD1 PHE 1 3.477 1.410 -4.332
6 HD2 PHE 1 HD2 PHE 1 6.074 -1.120 -6.561
7 HE1 PHE 1 HE1 PHE 1 4.122 3.321 -5.742
8 HE2 PHE 1 HE2 PHE 1 6.724 0.786 -7.974
9 HZ PHE 1 HZ PHE 1 5.749 3.011 -7.565
10 H LEU 2 H LEU 2 6.602 -0.063 -2.371
11 HA LEU 2 HA LEU 2 5.222 -0.881 0.078
12 HB2 LEU 2 2HB LEU 2 7.540 -0.395 1.205
13 HB3 LEU 2 3HB LEU 2 7.151 -1.990 0.564
14 HG LEU 2 HG LEU 2 8.531 -0.131 -1.278
15 HD11 LEU 2 1HD1 LEU 2 9.682 -1.047 1.302
16 HD12 LEU 2 2HD1 LEU 2 9.977 0.433 0.390
17 HD13 LEU 2 3HD1 LEU 2 10.709 -1.084 -0.132
18 HD21 LEU 2 1HD2 LEU 2 9.491 -2.865 -0.763
19 HD22 LEU 2 2HD2 LEU 2 9.173 -2.039 -2.288
20 HD23 LEU 2 3HD2 LEU 2 7.840 -2.740 -1.370
21 HA PRO 3 HA PRO 3 4.799 3.413 0.876
22 HB2 PRO 3 2HB PRO 3 5.036 3.525 3.578
23 HB3 PRO 3 3HB PRO 3 3.620 2.847 2.765
24 HG2 PRO 3 2HG PRO 3 5.971 1.436 3.967
25 HG3 PRO 3 3HG PRO 3 4.248 1.028 4.070
26 HD2 PRO 3 2HD PRO 3 5.944 -0.227 2.372
27 HD3 PRO 3 3HD PRO 3 4.230 0.036 1.990
28 H LYS 4 H LYS 4 5.856 5.336 1.783
29 HA LYS 4 HA LYS 4 8.772 4.979 2.020
30 HB2 LYS 4 2HB LYS 4 8.535 7.549 1.192
31 HB3 LYS 4 3HB LYS 4 8.792 6.187 0.110
32 HG2 LYS 4 2HG LYS 4 6.616 6.184 -0.628
33 HG3 LYS 4 3HG LYS 4 6.008 6.975 0.828
34 HD2 LYS 4 2HD LYS 4 5.938 8.493 -1.078
35 HD3 LYS 4 3HD LYS 4 7.085 9.065 0.137
36 HE2 LYS 4 2HE LYS 4 8.763 8.990 -1.322
37 HE3 LYS 4 3HE LYS 4 8.388 7.321 -1.747
38 HZ1 LYS 4 1HZ LYS 4 6.471 9.028 -2.900
39 HZ2 LYS 4 2HZ LYS 4 7.577 8.008 -3.673
40 HZ3 LYS 4 3HZ LYS 4 8.013 9.598 -3.298
41 H LEU 5 H LEU 5 6.958 4.932 4.219
42 HA LEU 5 HA LEU 5 6.456 7.214 5.600
43 HB2 LEU 5 2HB LEU 5 7.051 4.453 6.304
44 HB3 LEU 5 3HB LEU 5 7.509 5.592 7.568
45 HG LEU 5 HG LEU 5 4.773 5.770 6.396
46 HD11 LEU 5 1HD1 LEU 5 3.921 3.960 7.472
47 HD12 LEU 5 2HD1 LEU 5 5.167 3.971 8.719
48 HD13 LEU 5 3HD1 LEU 5 5.530 3.331 7.116
49 HD21 LEU 5 1HD2 LEU 5 4.537 7.222 8.054
50 HD22 LEU 5 2HD2 LEU 5 6.213 6.948 8.531
51 HD23 LEU 5 3HD2 LEU 5 4.925 5.965 9.230
52 H PHE 6 H PHE 6 9.589 5.648 5.206
53 HA PHE 6 HA PHE 6 10.843 8.021 6.422
54 HB2 PHE 6 2HB PHE 6 11.004 5.562 7.504
55 HB3 PHE 6 3HB PHE 6 12.363 5.474 6.387
56 HD1 PHE 6 HD1 PHE 6 14.420 6.325 7.009
57 HD2 PHE 6 HD2 PHE 6 10.924 7.617 9.065
58 HE1 PHE 6 HE1 PHE 6 15.823 7.548 8.619
59 HE2 PHE 6 HE2 PHE 6 12.321 8.842 10.678
60 HZ PHE 6 HZ PHE 6 14.774 8.809 10.455
61 H ALA 7 H ALA 7 10.415 6.223 3.641
62 HA ALA 7 HA ALA 7 12.991 6.510 2.450
63 HB1 ALA 7 1HB ALA 7 10.716 6.328 0.617
64 HB2 ALA 7 2HB ALA 7 12.138 5.295 0.772
65 HB3 ALA 7 3HB ALA 7 10.759 5.065 1.847
66 H LYS 8 H LYS 8 10.175 8.532 2.717
67 HA LYS 8 HA LYS 8 11.112 10.383 0.680
68 HB2 LYS 8 2HB LYS 8 9.064 11.659 1.242
69 HB3 LYS 8 3HB LYS 8 8.727 9.992 0.796
70 HG2 LYS 8 2HG LYS 8 7.700 9.630 2.722
71 HG3 LYS 8 3HG LYS 8 9.108 10.183 3.631
72 HD2 LYS 8 2HD LYS 8 8.247 12.246 3.960
73 HD3 LYS 8 3HD LYS 8 7.495 12.300 2.364
74 HE2 LYS 8 2HE LYS 8 5.848 12.281 4.206
75 HE3 LYS 8 3HE LYS 8 5.684 10.899 3.123
76 HZ1 LYS 8 1HZ LYS 8 5.939 10.821 5.853
77 HZ2 LYS 8 2HZ LYS 8 7.451 10.327 5.279
78 HZ3 LYS 8 3HZ LYS 8 6.054 9.507 4.793
79 H ILE 9 H ILE 9 10.942 10.108 4.168
80 HA ILE 9 HA ILE 9 11.661 12.820 4.708
81 HB ILE 9 HB ILE 9 11.708 12.255 6.963
82 HG12 ILE 9 2HG1 ILE 9 11.791 9.624 7.476
83 HG13 ILE 9 3HG1 ILE 9 12.702 9.634 5.970
84 HG21 ILE 9 1HG2 ILE 9 9.623 11.455 7.241
85 HG22 ILE 9 2HG2 ILE 9 9.584 11.488 5.479
86 HG23 ILE 9 3HG2 ILE 9 9.953 9.985 6.324
87 HD11 ILE 9 1HD1 ILE 9 13.882 11.670 7.312
88 HD12 ILE 9 2HD1 ILE 9 13.448 10.584 8.632
89 HD13 ILE 9 3HD1 ILE 9 14.453 10.002 7.305
90 H THR 10 H THR 10 13.410 9.899 4.029
91 HA THR 10 HA THR 10 15.939 10.940 4.982
92 HB THR 10 HB THR 10 16.868 8.841 3.910
93 HG1 THR 10 HG1 THR 10 15.392 8.206 2.440
94 HG21 THR 10 1HG2 THR 10 16.341 8.947 6.294
95 HG22 THR 10 2HG2 THR 10 15.958 7.354 5.641
96 HG23 THR 10 3HG2 THR 10 14.667 8.513 5.953
97 H LYS 11 H LYS 11 17.199 12.241 3.839
98 HA LYS 11 HA LYS 11 16.984 12.188 0.900
99 HB2 LYS 11 2HB LYS 11 17.820 14.617 1.102
100 HB3 LYS 11 3HB LYS 11 16.138 14.285 1.496
101 HG2 LYS 11 2HG LYS 11 16.949 15.752 3.156
102 HG3 LYS 11 3HG LYS 11 16.837 14.158 3.907
103 HD2 LYS 11 2HD LYS 11 19.155 13.853 3.877
104 HD3 LYS 11 3HD LYS 11 19.397 15.122 2.674
105 HE2 LYS 11 2HE LYS 11 19.927 16.436 4.401
106 HE3 LYS 11 3HE LYS 11 18.198 16.467 4.747
107 HZ1 LYS 11 1HZ LYS 11 19.161 15.836 6.744
108 HZ2 LYS 11 2HZ LYS 11 20.300 14.824 6.010
109 HZ3 LYS 11 3HZ LYS 11 18.675 14.357 6.082
110 H LYS 12 H LYS 12 18.823 10.894 3.019
111 HA LYS 12 HA LYS 12 21.411 11.981 2.266
112 HB2 LYS 12 2HB LYS 12 21.221 11.343 4.556
113 HB3 LYS 12 3HB LYS 12 20.565 9.767 4.132
114 HG2 LYS 12 2HG LYS 12 23.119 10.069 2.899
115 HG3 LYS 12 3HG LYS 12 23.249 10.467 4.614
116 HD2 LYS 12 2HD LYS 12 21.645 8.078 4.023
117 HD3 LYS 12 3HD LYS 12 23.352 7.947 3.594
118 HE2 LYS 12 2HE LYS 12 23.281 7.196 5.798
119 HE3 LYS 12 3HE LYS 12 23.803 8.873 5.948
120 HZ1 LYS 12 1HZ LYS 12 20.933 8.358 6.060
121 HZ2 LYS 12 2HZ LYS 12 21.863 9.489 6.907
122 HZ3 LYS 12 3HZ LYS 12 21.850 7.869 7.395
123 H ASN 13 H ASN 13 20.395 8.585 2.492
124 HA ASN 13 HA ASN 13 22.145 7.745 0.440
125 HB2 ASN 13 2HB ASN 13 20.311 6.523 2.288
126 HB3 ASN 13 3HB ASN 13 20.080 5.832 0.685
127 HD21 ASN 13 1HD2 ASN 13 21.844 4.810 -0.339
128 HD22 ASN 13 2HD2 ASN 13 23.172 4.197 0.580
129 H MET 14 H MET 14 19.036 9.158 0.368
130 HA MET 14 HA MET 14 17.949 8.055 -1.959
131 HB2 MET 14 2HB MET 14 16.792 9.582 -0.317
132 HB3 MET 14 3HB MET 14 17.644 10.924 -1.068
133 HG2 MET 14 2HG MET 14 15.973 11.093 -2.502
134 HG3 MET 14 3HG MET 14 16.466 9.543 -3.179
135 HE1 MET 14 1HE MET 14 12.510 9.538 -2.887
136 HE2 MET 14 2HE MET 14 13.741 10.616 -3.547
137 HE3 MET 14 3HE MET 14 13.774 8.896 -3.937
138 H ALA 15 H ALA 15 19.883 11.026 -1.582
139 HA ALA 15 HA ALA 15 20.114 11.417 -4.412
140 HB1 ALA 15 1HB ALA 15 20.155 13.369 -3.078
141 HB2 ALA 15 2HB ALA 15 21.439 12.728 -2.051
142 HB3 ALA 15 3HB ALA 15 21.787 13.177 -3.721
143 H HIS 16 H HIS 16 21.453 9.158 -2.475
144 HA HIS 16 HA HIS 16 24.048 9.159 -3.853
145 HB2 HIS 16 2HB HIS 16 23.231 8.502 -1.176
146 HB3 HIS 16 3HB HIS 16 23.974 7.093 -1.927
147 HD1 HIS 16 HD1 HIS 16 24.981 9.511 0.250
148 HD2 HIS 16 HD2 HIS 16 26.470 8.372 -3.458
149 HE1 HIS 16 HE1 HIS 16 27.370 10.296 0.215
150 H ILE 17 H ILE 17 21.014 7.610 -3.756
151 HA ILE 17 HA ILE 17 21.555 4.994 -4.458
152 HB ILE 17 HB ILE 17 19.375 4.890 -5.465
153 HG12 ILE 17 2HG1 ILE 17 19.682 7.873 -5.660
154 HG13 ILE 17 3HG1 ILE 17 19.248 6.724 -6.921
155 HG21 ILE 17 1HG2 ILE 17 19.061 6.915 -3.278
156 HG22 ILE 17 2HG2 ILE 17 18.075 5.497 -3.629
157 HG23 ILE 17 3HG2 ILE 17 19.689 5.301 -2.947
158 HD11 ILE 17 1HD1 ILE 17 17.530 7.677 -4.648
159 HD12 ILE 17 2HD1 ILE 17 17.312 7.984 -6.371
160 HD13 ILE 17 3HD1 ILE 17 17.090 6.356 -5.730
161 H ARG 18 H ARG 18 21.482 7.869 -6.509
162 HA ARG 18 HA ARG 18 22.080 6.309 -8.885
163 HB2 ARG 18 2HB ARG 18 20.603 8.478 -8.672
164 HB3 ARG 18 3HB ARG 18 22.151 9.298 -8.825
165 HG2 ARG 18 2HG ARG 18 22.274 8.893 -11.013
166 HG3 ARG 18 3HG ARG 18 21.758 7.216 -10.822
167 HD2 ARG 18 2HD ARG 18 20.205 8.631 -12.172
168 HD3 ARG 18 3HD ARG 18 19.459 7.851 -10.777
169 HE ARG 18 HE ARG 18 20.379 10.482 -10.171
170 HH11 ARG 18 1HH1 ARG 18 17.794 8.689 -11.661
171 HH12 ARG 18 2HH1 ARG 18 16.609 9.924 -11.394
172 HH21 ARG 18 1HH2 ARG 18 18.828 12.115 -9.813
173 HH22 ARG 18 2HH2 ARG 18 17.198 11.873 -10.343
Start of MODEL 18
1 H1 PHE 1 H PHE 1 2.209 4.574 -2.635
2 HA PHE 1 HA PHE 1 1.974 2.727 -4.038
3 HB2 PHE 1 2HB PHE 1 4.198 4.104 -5.315
4 HB3 PHE 1 3HB PHE 1 4.410 2.356 -5.331
5 HD1 PHE 1 HD1 PHE 1 2.335 0.980 -6.112
6 HD2 PHE 1 HD2 PHE 1 2.951 5.102 -6.972
7 HE1 PHE 1 HE1 PHE 1 0.793 0.808 -8.022
8 HE2 PHE 1 HE2 PHE 1 1.409 4.938 -8.882
9 HZ PHE 1 HZ PHE 1 0.327 2.789 -9.409
10 H LEU 2 H LEU 2 5.259 3.292 -2.789
11 HA LEU 2 HA LEU 2 5.150 0.615 -1.561
12 HB2 LEU 2 2HB LEU 2 7.310 2.071 -2.970
13 HB3 LEU 2 3HB LEU 2 7.776 1.107 -1.571
14 HG LEU 2 HG LEU 2 6.312 -0.709 -2.911
15 HD11 LEU 2 1HD1 LEU 2 5.908 0.912 -4.753
16 HD12 LEU 2 2HD1 LEU 2 6.712 -0.570 -5.267
17 HD13 LEU 2 3HD1 LEU 2 7.642 0.915 -5.072
18 HD21 LEU 2 1HD2 LEU 2 8.384 -1.424 -2.269
19 HD22 LEU 2 2HD2 LEU 2 9.199 0.004 -2.908
20 HD23 LEU 2 3HD2 LEU 2 8.648 -1.264 -4.005
21 HA PRO 3 HA PRO 3 5.709 2.370 2.421
22 HB2 PRO 3 2HB PRO 3 7.409 0.615 3.604
23 HB3 PRO 3 3HB PRO 3 5.718 0.231 3.260
24 HG2 PRO 3 2HG PRO 3 8.178 -0.503 1.720
25 HG3 PRO 3 3HG PRO 3 6.767 -1.501 2.117
26 HD2 PRO 3 2HD PRO 3 7.099 -0.350 -0.311
27 HD3 PRO 3 3HD PRO 3 5.499 -0.612 0.411
28 H LYS 4 H LYS 4 6.757 4.297 2.355
29 HA LYS 4 HA LYS 4 9.694 4.263 2.166
30 HB2 LYS 4 2HB LYS 4 9.185 6.850 1.861
31 HB3 LYS 4 3HB LYS 4 9.104 5.728 0.509
32 HG2 LYS 4 2HG LYS 4 6.659 5.536 0.883
33 HG3 LYS 4 3HG LYS 4 6.794 6.783 2.125
34 HD2 LYS 4 2HD LYS 4 8.108 7.707 -0.226
35 HD3 LYS 4 3HD LYS 4 6.512 7.104 -0.680
36 HE2 LYS 4 2HE LYS 4 5.423 8.719 0.483
37 HE3 LYS 4 3HE LYS 4 6.652 8.791 1.745
38 HZ1 LYS 4 1HZ LYS 4 6.647 10.111 -0.896
39 HZ2 LYS 4 2HZ LYS 4 8.090 9.867 -0.050
40 HZ3 LYS 4 3HZ LYS 4 6.858 10.803 0.633
41 H LEU 5 H LEU 5 8.494 3.535 4.584
42 HA LEU 5 HA LEU 5 7.964 5.406 6.484
43 HB2 LEU 5 2HB LEU 5 9.157 2.737 6.475
44 HB3 LEU 5 3HB LEU 5 9.624 3.718 7.863
45 HG LEU 5 HG LEU 5 7.670 2.227 8.261
46 HD11 LEU 5 1HD1 LEU 5 6.626 3.733 9.647
47 HD12 LEU 5 2HD1 LEU 5 6.708 5.042 8.469
48 HD13 LEU 5 3HD1 LEU 5 8.158 4.553 9.345
49 HD21 LEU 5 1HD2 LEU 5 6.006 4.106 6.647
50 HD22 LEU 5 2HD2 LEU 5 5.659 2.457 7.166
51 HD23 LEU 5 3HD2 LEU 5 6.801 2.747 5.853
52 H PHE 6 H PHE 6 11.120 4.580 5.160
53 HA PHE 6 HA PHE 6 12.248 6.887 6.604
54 HB2 PHE 6 2HB PHE 6 13.020 4.367 7.097
55 HB3 PHE 6 3HB PHE 6 14.068 4.708 5.724
56 HD1 PHE 6 HD1 PHE 6 16.071 5.821 6.045
57 HD2 PHE 6 HD2 PHE 6 13.046 6.070 9.029
58 HE1 PHE 6 HE1 PHE 6 17.641 6.994 7.534
59 HE2 PHE 6 HE2 PHE 6 14.610 7.244 10.522
60 HZ PHE 6 HZ PHE 6 16.910 7.708 9.775
61 H ALA 7 H ALA 7 11.479 5.566 3.634
62 HA ALA 7 HA ALA 7 13.642 6.558 2.062
63 HB1 ALA 7 1HB ALA 7 11.112 6.294 0.651
64 HB2 ALA 7 2HB ALA 7 12.645 5.461 0.395
65 HB3 ALA 7 3HB ALA 7 11.514 4.871 1.613
66 H LYS 8 H LYS 8 10.652 7.896 3.255
67 HA LYS 8 HA LYS 8 10.820 10.231 1.538
68 HB2 LYS 8 2HB LYS 8 8.781 10.961 2.737
69 HB3 LYS 8 3HB LYS 8 8.614 9.360 2.027
70 HG2 LYS 8 2HG LYS 8 8.118 8.483 3.996
71 HG3 LYS 8 3HG LYS 8 9.596 9.133 4.709
72 HD2 LYS 8 2HD LYS 8 7.842 10.063 5.971
73 HD3 LYS 8 3HD LYS 8 8.351 11.349 4.873
74 HE2 LYS 8 2HE LYS 8 6.503 10.731 3.354
75 HE3 LYS 8 3HE LYS 8 5.977 9.521 4.522
76 HZ1 LYS 8 1HZ LYS 8 6.156 12.433 5.071
77 HZ2 LYS 8 2HZ LYS 8 5.555 11.250 6.119
78 HZ3 LYS 8 3HZ LYS 8 4.729 11.610 4.687
79 H ILE 9 H ILE 9 11.498 9.316 4.849
80 HA ILE 9 HA ILE 9 11.891 11.977 5.812
81 HB ILE 9 HB ILE 9 12.527 11.044 7.840
82 HG12 ILE 9 2HG1 ILE 9 13.162 8.440 7.751
83 HG13 ILE 9 3HG1 ILE 9 13.697 8.904 6.140
84 HG21 ILE 9 1HG2 ILE 9 10.731 9.774 8.331
85 HG22 ILE 9 2HG2 ILE 9 10.278 10.135 6.666
86 HG23 ILE 9 3HG2 ILE 9 11.073 8.609 7.052
87 HD11 ILE 9 1HD1 ILE 9 15.615 9.398 7.168
88 HD12 ILE 9 2HD1 ILE 9 14.784 10.874 7.658
89 HD13 ILE 9 3HD1 ILE 9 14.855 9.496 8.756
90 H THR 10 H THR 10 13.866 9.633 4.186
91 HA THR 10 HA THR 10 16.354 10.964 4.837
92 HB THR 10 HB THR 10 17.319 9.317 3.162
93 HG1 THR 10 HG1 THR 10 15.994 7.780 2.332
94 HG21 THR 10 1HG2 THR 10 15.755 8.205 5.496
95 HG22 THR 10 2HG2 THR 10 17.373 8.901 5.569
96 HG23 THR 10 3HG2 THR 10 17.097 7.402 4.683
97 H LYS 11 H LYS 11 17.084 12.684 3.791
98 HA LYS 11 HA LYS 11 16.250 13.093 0.994
99 HB2 LYS 11 2HB LYS 11 16.555 15.562 1.500
100 HB3 LYS 11 3HB LYS 11 15.164 14.784 2.244
101 HG2 LYS 11 2HG LYS 11 17.702 14.934 3.787
102 HG3 LYS 11 3HG LYS 11 16.725 16.394 3.609
103 HD2 LYS 11 2HD LYS 11 14.771 14.803 4.332
104 HD3 LYS 11 3HD LYS 11 16.083 13.832 5.002
105 HE2 LYS 11 2HE LYS 11 16.596 15.379 6.595
106 HE3 LYS 11 3HE LYS 11 16.093 16.739 5.592
107 HZ1 LYS 11 1HZ LYS 11 13.792 15.337 6.062
108 HZ2 LYS 11 2HZ LYS 11 14.259 16.775 6.819
109 HZ3 LYS 11 3HZ LYS 11 14.605 15.287 7.545
110 H LYS 12 H LYS 12 18.695 11.881 2.403
111 HA LYS 12 HA LYS 12 20.714 13.500 0.992
112 HB2 LYS 12 2HB LYS 12 22.212 12.086 2.743
113 HB3 LYS 12 3HB LYS 12 21.591 13.699 3.068
114 HG2 LYS 12 2HG LYS 12 19.949 12.928 4.488
115 HG3 LYS 12 3HG LYS 12 19.945 11.313 3.776
116 HD2 LYS 12 2HD LYS 12 21.638 10.594 5.086
117 HD3 LYS 12 3HD LYS 12 22.484 12.142 5.019
118 HE2 LYS 12 2HE LYS 12 20.734 13.047 6.577
119 HE3 LYS 12 3HE LYS 12 20.138 11.397 6.758
120 HZ1 LYS 12 1HZ LYS 12 22.610 10.921 7.347
121 HZ2 LYS 12 2HZ LYS 12 21.572 11.565 8.517
122 HZ3 LYS 12 3HZ LYS 12 22.658 12.574 7.702
123 H ASN 13 H ASN 13 20.840 10.254 2.420
124 HA ASN 13 HA ASN 13 22.388 9.084 0.465
125 HB2 ASN 13 2HB ASN 13 20.872 8.200 2.725
126 HB3 ASN 13 3HB ASN 13 20.585 7.091 1.387
127 HD21 ASN 13 1HD2 ASN 13 22.532 6.276 0.274
128 HD22 ASN 13 2HD2 ASN 13 23.933 5.947 1.229
129 H MET 14 H MET 14 18.974 9.755 0.439
130 HA MET 14 HA MET 14 18.148 8.012 -1.588
131 HB2 MET 14 2HB MET 14 16.671 9.408 -0.098
132 HB3 MET 14 3HB MET 14 17.071 10.791 -1.107
133 HG2 MET 14 2HG MET 14 15.355 10.253 -2.391
134 HG3 MET 14 3HG MET 14 16.253 8.822 -2.890
135 HE1 MET 14 1HE MET 14 14.435 6.052 -2.049
136 HE2 MET 14 2HE MET 14 16.014 6.758 -2.392
137 HE3 MET 14 3HE MET 14 15.624 6.221 -0.757
138 H ALA 15 H ALA 15 19.162 11.421 -1.830
139 HA ALA 15 HA ALA 15 19.147 11.383 -4.695
140 HB1 ALA 15 1HB ALA 15 20.715 13.506 -3.457
141 HB2 ALA 15 2HB ALA 15 19.315 13.604 -4.525
142 HB3 ALA 15 3HB ALA 15 19.087 13.360 -2.794
143 H HIS 16 H HIS 16 21.160 9.934 -2.576
144 HA HIS 16 HA HIS 16 23.583 10.418 -4.164
145 HB2 HIS 16 2HB HIS 16 23.106 10.013 -1.358
146 HB3 HIS 16 3HB HIS 16 24.185 8.758 -1.959
147 HD1 HIS 16 HD1 HIS 16 23.953 12.541 -2.392
148 HD2 HIS 16 HD2 HIS 16 26.750 9.541 -1.727
149 HE1 HIS 16 HE1 HIS 16 26.169 13.716 -2.209
150 H ILE 17 H ILE 17 21.124 8.134 -3.575
151 HA ILE 17 HA ILE 17 22.357 5.689 -3.934
152 HB ILE 17 HB ILE 17 20.254 4.826 -4.717
153 HG12 ILE 17 2HG1 ILE 17 19.689 7.705 -5.370
154 HG13 ILE 17 3HG1 ILE 17 19.545 6.290 -6.407
155 HG21 ILE 17 1HG2 ILE 17 18.915 5.348 -2.881
156 HG22 ILE 17 2HG2 ILE 17 20.549 5.709 -2.325
157 HG23 ILE 17 3HG2 ILE 17 19.479 7.018 -2.826
158 HD11 ILE 17 1HD1 ILE 17 17.635 5.546 -4.990
159 HD12 ILE 17 2HD1 ILE 17 17.730 7.096 -4.153
160 HD13 ILE 17 3HD1 ILE 17 17.357 7.046 -5.876
161 H ARG 18 H ARG 18 21.376 8.055 -6.366
162 HA ARG 18 HA ARG 18 23.130 6.732 -8.291
163 HB2 ARG 18 2HB ARG 18 20.817 5.872 -8.665
164 HB3 ARG 18 3HB ARG 18 20.296 7.523 -8.975
165 HG2 ARG 18 2HG ARG 18 21.353 7.625 -11.005
166 HG3 ARG 18 3HG ARG 18 22.552 6.408 -10.562
167 HD2 ARG 18 2HD ARG 18 19.632 5.886 -11.108
168 HD3 ARG 18 3HD ARG 18 20.958 5.564 -12.225
169 HE ARG 18 HE ARG 18 21.552 4.213 -9.885
170 HH11 ARG 18 1HH1 ARG 18 19.048 4.182 -12.302
171 HH12 ARG 18 2HH1 ARG 18 18.696 2.497 -12.103
172 HH21 ARG 18 1HH2 ARG 18 21.098 1.995 -9.613
173 HH22 ARG 18 2HH2 ARG 18 19.862 1.254 -10.573
Start of MODEL 19
1 H1 PHE 1 H PHE 1 3.642 4.311 -3.000
2 HA PHE 1 HA PHE 1 1.560 2.706 -3.415
3 HB2 PHE 1 2HB PHE 1 3.353 2.522 -5.735
4 HB3 PHE 1 3HB PHE 1 2.912 0.965 -5.043
5 HD1 PHE 1 HD1 PHE 1 1.341 -0.001 -6.417
6 HD2 PHE 1 HD2 PHE 1 0.983 4.127 -5.445
7 HE1 PHE 1 HE1 PHE 1 -0.816 0.086 -7.597
8 HE2 PHE 1 HE2 PHE 1 -1.175 4.221 -6.623
9 HZ PHE 1 HZ PHE 1 -2.078 2.199 -7.700
10 H LEU 2 H LEU 2 5.079 2.596 -3.295
11 HA LEU 2 HA LEU 2 5.018 0.215 -1.614
12 HB2 LEU 2 2HB LEU 2 7.068 1.677 -3.159
13 HB3 LEU 2 3HB LEU 2 7.618 0.886 -1.683
14 HG LEU 2 HG LEU 2 6.295 -1.158 -2.800
15 HD11 LEU 2 1HD1 LEU 2 6.783 0.780 -4.959
16 HD12 LEU 2 2HD1 LEU 2 5.609 -0.531 -4.849
17 HD13 LEU 2 3HD1 LEU 2 7.280 -0.879 -5.293
18 HD21 LEU 2 1HD2 LEU 2 8.503 -1.873 -3.719
19 HD22 LEU 2 2HD2 LEU 2 8.557 -1.312 -2.047
20 HD23 LEU 2 3HD2 LEU 2 9.119 -0.262 -3.349
21 HA PRO 3 HA PRO 3 5.500 2.243 2.246
22 HB2 PRO 3 2HB PRO 3 7.303 0.663 3.520
23 HB3 PRO 3 3HB PRO 3 5.634 0.165 3.216
24 HG2 PRO 3 2HG PRO 3 8.122 -0.526 1.702
25 HG3 PRO 3 3HG PRO 3 6.772 -1.575 2.174
26 HD2 PRO 3 2HD PRO 3 7.025 -0.562 -0.324
27 HD3 PRO 3 3HD PRO 3 5.446 -0.865 0.427
28 H LYS 4 H LYS 4 6.470 4.154 2.466
29 HA LYS 4 HA LYS 4 9.390 4.301 2.081
30 HB2 LYS 4 2HB LYS 4 8.622 6.878 1.794
31 HB3 LYS 4 3HB LYS 4 8.803 5.757 0.451
32 HG2 LYS 4 2HG LYS 4 6.540 5.512 0.168
33 HG3 LYS 4 3HG LYS 4 6.176 5.929 1.844
34 HD2 LYS 4 2HD LYS 4 5.468 7.709 0.343
35 HD3 LYS 4 3HD LYS 4 6.781 8.263 1.384
36 HE2 LYS 4 2HE LYS 4 8.318 8.276 -0.346
37 HE3 LYS 4 3HE LYS 4 7.390 7.133 -1.315
38 HZ1 LYS 4 1HZ LYS 4 5.668 9.044 -1.364
39 HZ2 LYS 4 2HZ LYS 4 7.007 9.107 -2.394
40 HZ3 LYS 4 3HZ LYS 4 6.989 10.026 -0.974
41 H LEU 5 H LEU 5 8.045 3.617 4.533
42 HA LEU 5 HA LEU 5 7.558 5.545 6.372
43 HB2 LEU 5 2HB LEU 5 8.169 2.847 6.448
44 HB3 LEU 5 3HB LEU 5 9.408 3.588 7.459
45 HG LEU 5 HG LEU 5 6.479 4.119 7.880
46 HD11 LEU 5 1HD1 LEU 5 7.083 2.398 9.852
47 HD12 LEU 5 2HD1 LEU 5 8.062 1.725 8.549
48 HD13 LEU 5 3HD1 LEU 5 6.322 1.918 8.335
49 HD21 LEU 5 1HD2 LEU 5 9.014 4.602 9.383
50 HD22 LEU 5 2HD2 LEU 5 7.500 4.395 10.264
51 HD23 LEU 5 3HD2 LEU 5 7.661 5.692 9.079
52 H PHE 6 H PHE 6 10.719 4.592 5.142
53 HA PHE 6 HA PHE 6 11.875 6.926 6.520
54 HB2 PHE 6 2HB PHE 6 12.569 4.387 7.100
55 HB3 PHE 6 3HB PHE 6 13.681 4.697 5.771
56 HD1 PHE 6 HD1 PHE 6 15.684 5.781 6.171
57 HD2 PHE 6 HD2 PHE 6 12.523 6.130 9.001
58 HE1 PHE 6 HE1 PHE 6 17.198 6.959 7.712
59 HE2 PHE 6 HE2 PHE 6 14.032 7.310 10.545
60 HZ PHE 6 HZ PHE 6 16.372 7.727 9.902
61 H ALA 7 H ALA 7 11.108 5.546 3.590
62 HA ALA 7 HA ALA 7 13.337 6.385 2.021
63 HB1 ALA 7 1HB ALA 7 11.252 4.721 1.573
64 HB2 ALA 7 2HB ALA 7 10.737 6.148 0.671
65 HB3 ALA 7 3HB ALA 7 12.284 5.384 0.305
66 H LYS 8 H LYS 8 10.400 7.898 3.128
67 HA LYS 8 HA LYS 8 10.710 10.170 1.342
68 HB2 LYS 8 2HB LYS 8 8.688 11.031 2.544
69 HB3 LYS 8 3HB LYS 8 8.453 9.479 1.752
70 HG2 LYS 8 2HG LYS 8 7.919 8.490 3.665
71 HG3 LYS 8 3HG LYS 8 9.337 9.148 4.484
72 HD2 LYS 8 2HD LYS 8 6.751 10.629 4.008
73 HD3 LYS 8 3HD LYS 8 7.229 9.874 5.530
74 HE2 LYS 8 2HE LYS 8 8.122 11.854 6.051
75 HE3 LYS 8 3HE LYS 8 9.401 11.441 4.909
76 HZ1 LYS 8 1HZ LYS 8 7.122 12.540 3.595
77 HZ2 LYS 8 2HZ LYS 8 8.739 13.033 3.533
78 HZ3 LYS 8 3HZ LYS 8 7.728 13.601 4.764
79 H ILE 9 H ILE 9 11.208 9.341 4.716
80 HA ILE 9 HA ILE 9 11.707 11.996 5.614
81 HB ILE 9 HB ILE 9 12.288 11.085 7.677
82 HG12 ILE 9 2HG1 ILE 9 12.769 8.443 7.648
83 HG13 ILE 9 3HG1 ILE 9 13.354 8.847 6.037
84 HG21 ILE 9 1HG2 ILE 9 10.712 8.713 6.958
85 HG22 ILE 9 2HG2 ILE 9 10.403 9.962 8.164
86 HG23 ILE 9 3HG2 ILE 9 10.008 10.255 6.471
87 HD11 ILE 9 1HD1 ILE 9 14.578 10.763 7.444
88 HD12 ILE 9 2HD1 ILE 9 14.463 9.511 8.681
89 HD13 ILE 9 3HD1 ILE 9 15.278 9.171 7.154
90 H THR 10 H THR 10 13.633 9.541 4.096
91 HA THR 10 HA THR 10 16.152 10.801 4.770
92 HB THR 10 HB THR 10 17.101 9.077 3.173
93 HG1 THR 10 HG1 THR 10 15.437 7.303 2.878
94 HG21 THR 10 1HG2 THR 10 17.070 8.705 5.582
95 HG22 THR 10 2HG2 THR 10 16.739 7.200 4.724
96 HG23 THR 10 3HG2 THR 10 15.420 8.092 5.482
97 H LYS 11 H LYS 11 16.963 12.468 3.699
98 HA LYS 11 HA LYS 11 16.214 12.827 0.871
99 HB2 LYS 11 2HB LYS 11 16.742 15.327 1.450
100 HB3 LYS 11 3HB LYS 11 15.171 14.641 1.846
101 HG2 LYS 11 2HG LYS 11 15.846 15.875 3.732
102 HG3 LYS 11 3HG LYS 11 16.087 14.177 4.149
103 HD2 LYS 11 2HD LYS 11 17.996 15.440 4.891
104 HD3 LYS 11 3HD LYS 11 18.481 14.421 3.534
105 HE2 LYS 11 2HE LYS 11 17.612 16.835 2.408
106 HE3 LYS 11 3HE LYS 11 18.589 17.284 3.805
107 HZ1 LYS 11 1HZ LYS 11 19.379 15.943 1.338
108 HZ2 LYS 11 2HZ LYS 11 20.154 15.446 2.757
109 HZ3 LYS 11 3HZ LYS 11 20.225 17.067 2.277
110 H LYS 12 H LYS 12 18.599 11.638 2.464
111 HA LYS 12 HA LYS 12 20.691 13.110 0.998
112 HB2 LYS 12 2HB LYS 12 22.107 11.803 2.895
113 HB3 LYS 12 3HB LYS 12 21.510 13.447 3.080
114 HG2 LYS 12 2HG LYS 12 19.810 12.814 4.501
115 HG3 LYS 12 3HG LYS 12 19.796 11.150 3.912
116 HD2 LYS 12 2HD LYS 12 21.468 10.506 5.299
117 HD3 LYS 12 3HD LYS 12 22.299 12.060 5.191
118 HE2 LYS 12 2HE LYS 12 19.935 12.653 6.503
119 HE3 LYS 12 3HE LYS 12 20.406 11.090 7.169
120 HZ1 LYS 12 1HZ LYS 12 21.720 13.682 7.401
121 HZ2 LYS 12 2HZ LYS 12 22.729 12.330 7.272
122 HZ3 LYS 12 3HZ LYS 12 21.599 12.425 8.527
123 H ASN 13 H ASN 13 20.703 9.977 2.664
124 HA ASN 13 HA ASN 13 22.293 8.631 0.868
125 HB2 ASN 13 2HB ASN 13 20.603 7.936 3.090
126 HB3 ASN 13 3HB ASN 13 20.433 6.729 1.819
127 HD21 ASN 13 1HD2 ASN 13 21.873 7.030 4.552
128 HD22 ASN 13 2HD2 ASN 13 23.422 6.331 4.242
129 H MET 14 H MET 14 18.888 9.350 0.652
130 HA MET 14 HA MET 14 18.136 7.499 -1.310
131 HB2 MET 14 2HB MET 14 16.605 8.976 0.042
132 HB3 MET 14 3HB MET 14 17.053 10.303 -1.021
133 HG2 MET 14 2HG MET 14 15.386 9.703 -2.340
134 HG3 MET 14 3HG MET 14 16.302 8.251 -2.735
135 HE1 MET 14 1HE MET 14 14.966 6.423 -3.064
136 HE2 MET 14 2HE MET 14 15.692 5.750 -1.604
137 HE3 MET 14 3HE MET 14 13.953 5.614 -1.869
138 H ALA 15 H ALA 15 19.175 10.889 -1.688
139 HA ALA 15 HA ALA 15 19.279 10.701 -4.545
140 HB1 ALA 15 1HB ALA 15 18.795 12.814 -3.391
141 HB2 ALA 15 2HB ALA 15 20.431 12.816 -2.729
142 HB3 ALA 15 3HB ALA 15 20.184 12.951 -4.470
143 H HIS 16 H HIS 16 21.194 9.356 -2.272
144 HA HIS 16 HA HIS 16 23.684 9.749 -3.781
145 HB2 HIS 16 2HB HIS 16 23.088 9.488 -0.981
146 HB3 HIS 16 3HB HIS 16 24.184 8.199 -1.472
147 HD1 HIS 16 HD1 HIS 16 23.975 11.915 -1.104
148 HD2 HIS 16 HD2 HIS 16 26.759 9.025 -2.179
149 HE1 HIS 16 HE1 HIS 16 26.193 13.100 -1.142
150 H ILE 17 H ILE 17 21.189 7.507 -3.180
151 HA ILE 17 HA ILE 17 22.421 5.042 -3.364
152 HB ILE 17 HB ILE 17 20.347 4.149 -4.188
153 HG12 ILE 17 2HG1 ILE 17 19.826 6.993 -5.009
154 HG13 ILE 17 3HG1 ILE 17 19.715 5.527 -5.977
155 HG21 ILE 17 1HG2 ILE 17 18.936 4.770 -2.438
156 HG22 ILE 17 2HG2 ILE 17 20.548 5.148 -1.834
157 HG23 ILE 17 3HG2 ILE 17 19.510 6.437 -2.443
158 HD11 ILE 17 1HD1 ILE 17 17.745 4.865 -4.604
159 HD12 ILE 17 2HD1 ILE 17 17.816 6.455 -3.843
160 HD13 ILE 17 3HD1 ILE 17 17.513 6.319 -5.575
161 H ARG 18 H ARG 18 21.554 7.286 -5.951
162 HA ARG 18 HA ARG 18 22.448 5.482 -8.021
163 HB2 ARG 18 2HB ARG 18 20.574 7.085 -8.362
164 HB3 ARG 18 3HB ARG 18 21.722 8.409 -8.219
165 HG2 ARG 18 2HG ARG 18 22.846 6.806 -10.156
166 HG3 ARG 18 3HG ARG 18 21.115 6.706 -10.487
167 HD2 ARG 18 2HD ARG 18 22.346 9.368 -9.947
168 HD3 ARG 18 3HD ARG 18 22.575 8.621 -11.527
169 HE ARG 18 HE ARG 18 20.174 9.803 -10.511
170 HH11 ARG 18 1HH1 ARG 18 21.449 7.400 -12.684
171 HH12 ARG 18 2HH1 ARG 18 20.061 7.413 -13.721
172 HH21 ARG 18 1HH2 ARG 18 18.342 9.830 -11.869
173 HH22 ARG 18 2HH2 ARG 18 18.295 8.796 -13.257
Start of MODEL 20
1 H1 PHE 1 H PHE 1 1.124 -0.275 -0.588
2 HA PHE 1 HA PHE 1 2.845 -0.814 -1.989
3 HB2 PHE 1 2HB PHE 1 2.590 0.103 -4.309
4 HB3 PHE 1 3HB PHE 1 1.122 -0.614 -3.653
5 HD1 PHE 1 HD1 PHE 1 -0.845 0.652 -3.393
6 HD2 PHE 1 HD2 PHE 1 2.817 2.586 -4.373
7 HE1 PHE 1 HE1 PHE 1 -2.073 2.731 -3.863
8 HE2 PHE 1 HE2 PHE 1 1.596 4.669 -4.844
9 HZ PHE 1 HZ PHE 1 -0.853 4.744 -4.588
10 H LEU 2 H LEU 2 4.893 -0.210 -2.733
11 HA LEU 2 HA LEU 2 6.836 0.971 -2.676
12 HB2 LEU 2 2HB LEU 2 4.811 3.001 -3.494
13 HB3 LEU 2 3HB LEU 2 6.457 3.525 -3.145
14 HG LEU 2 HG LEU 2 6.116 3.196 -5.535
15 HD11 LEU 2 1HD1 LEU 2 7.828 0.909 -5.179
16 HD12 LEU 2 2HD1 LEU 2 8.187 2.155 -3.985
17 HD13 LEU 2 3HD1 LEU 2 8.230 2.544 -5.704
18 HD21 LEU 2 1HD2 LEU 2 5.630 1.036 -6.475
19 HD22 LEU 2 2HD2 LEU 2 4.356 1.462 -5.332
20 HD23 LEU 2 3HD2 LEU 2 5.602 0.300 -4.872
21 HA PRO 3 HA PRO 3 6.010 2.272 1.709
22 HB2 PRO 3 2HB PRO 3 7.862 0.613 2.799
23 HB3 PRO 3 3HB PRO 3 6.198 0.113 2.472
24 HG2 PRO 3 2HG PRO 3 8.674 -0.378 0.863
25 HG3 PRO 3 3HG PRO 3 7.352 -1.494 1.250
26 HD2 PRO 3 2HD PRO 3 7.546 -0.239 -1.142
27 HD3 PRO 3 3HD PRO 3 5.985 -0.646 -0.401
28 H LYS 4 H LYS 4 6.923 4.226 1.924
29 HA LYS 4 HA LYS 4 9.853 4.423 1.662
30 HB2 LYS 4 2HB LYS 4 9.040 6.997 1.406
31 HB3 LYS 4 3HB LYS 4 9.326 5.915 0.049
32 HG2 LYS 4 2HG LYS 4 7.085 5.605 -0.353
33 HG3 LYS 4 3HG LYS 4 6.623 6.000 1.304
34 HD2 LYS 4 2HD LYS 4 5.957 7.775 -0.229
35 HD3 LYS 4 3HD LYS 4 7.190 8.349 0.896
36 HE2 LYS 4 2HE LYS 4 8.883 8.222 -0.767
37 HE3 LYS 4 3HE LYS 4 7.826 7.337 -1.867
38 HZ1 LYS 4 1HZ LYS 4 7.223 9.270 -2.726
39 HZ2 LYS 4 2HZ LYS 4 8.148 10.122 -1.595
40 HZ3 LYS 4 3HZ LYS 4 6.543 9.720 -1.243
41 H LEU 5 H LEU 5 8.495 3.645 4.046
42 HA LEU 5 HA LEU 5 7.871 5.515 5.911
43 HB2 LEU 5 2HB LEU 5 8.718 2.827 5.929
44 HB3 LEU 5 3HB LEU 5 9.695 3.674 7.127
45 HG LEU 5 HG LEU 5 6.876 4.325 7.367
46 HD11 LEU 5 1HD1 LEU 5 6.203 2.120 8.258
47 HD12 LEU 5 2HD1 LEU 5 7.699 1.436 7.621
48 HD13 LEU 5 3HD1 LEU 5 6.495 2.104 6.519
49 HD21 LEU 5 1HD2 LEU 5 8.467 2.885 9.430
50 HD22 LEU 5 2HD2 LEU 5 7.335 4.227 9.606
51 HD23 LEU 5 3HD2 LEU 5 8.956 4.516 8.970
52 H PHE 6 H PHE 6 11.100 4.694 4.763
53 HA PHE 6 HA PHE 6 12.135 7.025 6.239
54 HB2 PHE 6 2HB PHE 6 12.899 4.501 6.771
55 HB3 PHE 6 3HB PHE 6 14.027 4.871 5.471
56 HD1 PHE 6 HD1 PHE 6 15.992 5.996 5.936
57 HD2 PHE 6 HD2 PHE 6 12.767 6.204 8.706
58 HE1 PHE 6 HE1 PHE 6 17.443 7.181 7.532
59 HE2 PHE 6 HE2 PHE 6 14.212 7.390 10.305
60 HZ PHE 6 HZ PHE 6 16.553 7.881 9.719
61 H ALA 7 H ALA 7 11.525 5.678 3.244
62 HA ALA 7 HA ALA 7 13.759 6.672 1.775
63 HB1 ALA 7 1HB ALA 7 12.837 5.617 0.028
64 HB2 ALA 7 2HB ALA 7 11.732 4.936 1.223
65 HB3 ALA 7 3HB ALA 7 11.257 6.356 0.291
66 H LYS 8 H LYS 8 10.734 8.015 2.845
67 HA LYS 8 HA LYS 8 10.966 10.336 1.109
68 HB2 LYS 8 2HB LYS 8 8.867 11.063 2.207
69 HB3 LYS 8 3HB LYS 8 8.741 9.463 1.490
70 HG2 LYS 8 2HG LYS 8 8.154 8.581 3.432
71 HG3 LYS 8 3HG LYS 8 9.589 9.243 4.219
72 HD2 LYS 8 2HD LYS 8 8.462 11.002 5.079
73 HD3 LYS 8 3HD LYS 8 7.442 11.180 3.650
74 HE2 LYS 8 2HE LYS 8 5.813 9.894 4.508
75 HE3 LYS 8 3HE LYS 8 6.954 8.733 5.187
76 HZ1 LYS 8 1HZ LYS 8 7.226 11.067 6.655
77 HZ2 LYS 8 2HZ LYS 8 6.538 9.607 7.163
78 HZ3 LYS 8 3HZ LYS 8 5.561 10.814 6.491
79 H ILE 9 H ILE 9 11.477 9.442 4.457
80 HA ILE 9 HA ILE 9 11.814 12.111 5.420
81 HB ILE 9 HB ILE 9 12.356 11.192 7.486
82 HG12 ILE 9 2HG1 ILE 9 12.976 8.583 7.444
83 HG13 ILE 9 3HG1 ILE 9 13.588 9.031 5.856
84 HG21 ILE 9 1HG2 ILE 9 10.161 10.279 6.200
85 HG22 ILE 9 2HG2 ILE 9 10.927 8.759 6.657
86 HG23 ILE 9 3HG2 ILE 9 10.523 9.949 7.894
87 HD11 ILE 9 1HD1 ILE 9 14.627 9.639 8.519
88 HD12 ILE 9 2HD1 ILE 9 15.460 9.520 6.969
89 HD13 ILE 9 3HD1 ILE 9 14.618 11.006 7.406
90 H THR 10 H THR 10 13.876 9.756 3.921
91 HA THR 10 HA THR 10 16.326 11.093 4.691
92 HB THR 10 HB THR 10 17.380 9.442 3.081
93 HG1 THR 10 HG1 THR 10 16.121 8.050 2.041
94 HG21 THR 10 1HG2 THR 10 17.298 9.020 5.483
95 HG22 THR 10 2HG2 THR 10 17.057 7.522 4.584
96 HG23 THR 10 3HG2 THR 10 15.680 8.340 5.321
97 H LYS 11 H LYS 11 17.118 12.804 3.676
98 HA LYS 11 HA LYS 11 16.416 13.214 0.843
99 HB2 LYS 11 2HB LYS 11 16.732 15.683 1.367
100 HB3 LYS 11 3HB LYS 11 15.292 14.921 2.029
101 HG2 LYS 11 2HG LYS 11 17.740 15.032 3.713
102 HG3 LYS 11 3HG LYS 11 16.796 16.506 3.485
103 HD2 LYS 11 2HD LYS 11 14.779 14.956 4.094
104 HD3 LYS 11 3HD LYS 11 16.031 13.944 4.820
105 HE2 LYS 11 2HE LYS 11 16.808 16.046 6.024
106 HE3 LYS 11 3HE LYS 11 15.292 16.779 5.501
107 HZ1 LYS 11 1HZ LYS 11 14.052 15.269 6.762
108 HZ2 LYS 11 2HZ LYS 11 15.322 15.722 7.781
109 HZ3 LYS 11 3HZ LYS 11 15.363 14.226 6.993
110 H LYS 12 H LYS 12 18.789 11.993 2.380
111 HA LYS 12 HA LYS 12 20.878 13.575 1.030
112 HB2 LYS 12 2HB LYS 12 21.838 11.831 3.161
113 HB3 LYS 12 3HB LYS 12 22.172 13.532 2.866
114 HG2 LYS 12 2HG LYS 12 21.128 13.593 4.913
115 HG3 LYS 12 3HG LYS 12 19.784 13.902 3.811
116 HD2 LYS 12 2HD LYS 12 18.759 11.970 4.332
117 HD3 LYS 12 3HD LYS 12 20.273 11.062 4.355
118 HE2 LYS 12 2HE LYS 12 19.878 12.991 6.554
119 HE3 LYS 12 3HE LYS 12 18.807 11.592 6.552
120 HZ1 LYS 12 1HZ LYS 12 20.447 10.307 7.267
121 HZ2 LYS 12 2HZ LYS 12 21.395 11.691 7.481
122 HZ3 LYS 12 3HZ LYS 12 21.489 10.818 6.035
123 H ASN 13 H ASN 13 20.738 10.332 2.495
124 HA ASN 13 HA ASN 13 22.438 9.097 0.687
125 HB2 ASN 13 2HB ASN 13 20.592 8.256 2.771
126 HB3 ASN 13 3HB ASN 13 20.651 7.098 1.445
127 HD21 ASN 13 1HD2 ASN 13 22.444 8.654 3.978
128 HD22 ASN 13 2HD2 ASN 13 23.804 7.588 3.948
129 H MET 14 H MET 14 19.112 9.973 0.345
130 HA MET 14 HA MET 14 18.300 8.194 -1.654
131 HB2 MET 14 2HB MET 14 16.842 9.807 -0.377
132 HB3 MET 14 3HB MET 14 17.453 11.083 -1.421
133 HG2 MET 14 2HG MET 14 15.813 10.620 -2.827
134 HG3 MET 14 3HG MET 14 16.601 9.079 -3.154
135 HE1 MET 14 1HE MET 14 13.778 9.523 -3.725
136 HE2 MET 14 2HE MET 14 14.030 7.778 -3.676
137 HE3 MET 14 3HE MET 14 12.685 8.501 -2.791
138 H ALA 15 H ALA 15 19.648 11.478 -1.990
139 HA ALA 15 HA ALA 15 19.867 11.261 -4.839
140 HB1 ALA 15 1HB ALA 15 21.252 13.397 -4.522
141 HB2 ALA 15 2HB ALA 15 19.545 13.443 -4.079
142 HB3 ALA 15 3HB ALA 15 20.777 13.289 -2.826
143 H HIS 16 H HIS 16 21.553 9.778 -2.471
144 HA HIS 16 HA HIS 16 24.135 9.945 -3.864
145 HB2 HIS 16 2HB HIS 16 23.391 9.767 -1.092
146 HB3 HIS 16 3HB HIS 16 24.396 8.386 -1.523
147 HD1 HIS 16 HD1 HIS 16 26.855 8.785 -1.643
148 HD2 HIS 16 HD2 HIS 16 24.680 12.325 -1.663
149 HE1 HIS 16 HE1 HIS 16 28.562 10.624 -1.473
150 H ILE 17 H ILE 17 21.434 7.929 -3.364
151 HA ILE 17 HA ILE 17 22.459 5.367 -3.471
152 HB ILE 17 HB ILE 17 20.359 4.642 -4.388
153 HG12 ILE 17 2HG1 ILE 17 20.120 7.511 -5.253
154 HG13 ILE 17 3HG1 ILE 17 19.934 6.049 -6.216
155 HG21 ILE 17 1HG2 ILE 17 20.534 5.656 -2.034
156 HG22 ILE 17 2HG2 ILE 17 19.633 7.013 -2.706
157 HG23 ILE 17 3HG2 ILE 17 18.927 5.397 -2.711
158 HD11 ILE 17 1HD1 ILE 17 17.850 5.569 -4.938
159 HD12 ILE 17 2HD1 ILE 17 18.017 7.155 -4.184
160 HD13 ILE 17 3HD1 ILE 17 17.789 7.026 -5.928
161 H ARG 18 H ARG 18 21.911 7.645 -6.113
162 HA ARG 18 HA ARG 18 22.951 5.720 -8.047
163 HB2 ARG 18 2HB ARG 18 21.070 7.834 -8.170
164 HB3 ARG 18 3HB ARG 18 22.420 8.289 -9.200
165 HG2 ARG 18 2HG ARG 18 20.757 7.130 -10.496
166 HG3 ARG 18 3HG ARG 18 22.214 6.142 -10.382
167 HD2 ARG 18 2HD ARG 18 20.453 5.555 -8.194
168 HD3 ARG 18 3HD ARG 18 19.581 5.418 -9.720
169 HE ARG 18 HE ARG 18 21.560 3.638 -8.727
170 HH11 ARG 18 1HH1 ARG 18 20.319 5.048 -11.658
171 HH12 ARG 18 2HH1 ARG 18 20.821 3.728 -12.661
172 HH21 ARG 18 1HH2 ARG 18 22.226 1.893 -10.037
173 HH22 ARG 18 2HH2 ARG 18 21.905 1.933 -11.737
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