Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
642408 | 6r95 RC | 34387 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 PHE 1 HN PHE 1 0.326 0.868 -0.062
2 HA PHE 1 HA PHE 1 2.990 0.817 -0.732
3 HB2 PHE 1 HB1 PHE 1 1.275 -1.271 -2.232
4 HB3 PHE 1 HB2 PHE 1 2.897 -0.719 -2.806
5 HD1 PHE 1 HD1 PHE 1 4.922 -1.118 -1.393
6 HD2 PHE 1 HD2 PHE 1 1.116 -2.876 -0.467
7 HE1 PHE 1 HE1 PHE 1 6.046 -2.790 0.049
8 HE2 PHE 1 HE2 PHE 1 2.236 -4.553 0.969
9 HZ PHE 1 HZ PHE 1 4.704 -4.511 1.233
10 H LEU 2 HN LEU 2 3.018 1.356 -3.349
11 HA LEU 2 HA LEU 2 2.709 3.094 -4.703
12 HB2 LEU 2 HB1 LEU 2 -0.133 2.035 -4.525
13 HB3 LEU 2 HB2 LEU 2 0.397 3.253 -5.717
14 HG LEU 2 HG LEU 2 2.148 1.627 -6.571
15 HD11 LEU 2 HD11 LEU 2 1.565 -0.838 -6.290
16 HD12 LEU 2 HD12 LEU 2 0.499 -0.390 -4.912
17 HD13 LEU 2 HD13 LEU 2 2.286 -0.105 -4.819
18 HD21 LEU 2 HD21 LEU 2 0.467 0.412 -7.968
19 HD22 LEU 2 HD22 LEU 2 0.048 2.151 -7.772
20 HD23 LEU 2 HD23 LEU 2 -0.833 0.897 -6.821
21 HA PRO 3 HA PRO 3 0.915 5.602 -1.225
22 HB2 PRO 3 HB1 PRO 3 3.033 7.304 -0.478
23 HB3 PRO 3 HB2 PRO 3 2.896 5.584 0.042
24 HG2 PRO 3 HG1 PRO 3 4.467 6.661 -2.370
25 HG3 PRO 3 HG2 PRO 3 5.070 5.585 -1.040
26 HD2 PRO 3 HD1 PRO 3 4.206 4.496 -3.411
27 HD3 PRO 3 HD2 PRO 3 3.727 3.729 -1.824
28 H ILE 4 HN ILE 4 2.565 7.019 -3.963
29 HA ILE 4 HA ILE 4 1.695 9.599 -4.045
30 HB ILE 4 HB ILE 4 1.854 7.702 -6.419
31 HG12 ILE 4 HG11 ILE 4 3.980 9.486 -5.073
32 HG13 ILE 4 HG12 ILE 4 3.947 7.694 -5.025
33 HG21 ILE 4 HG21 ILE 4 0.653 9.879 -6.926
34 HG22 ILE 4 HG22 ILE 4 2.022 10.794 -6.190
35 HG23 ILE 4 HG23 ILE 4 2.259 9.843 -7.699
36 HD11 ILE 4 HD1 ILE 4 4.386 9.439 -7.530
37 HD12 ILE 4 HD2 ILE 4 5.579 8.382 -6.707
38 HD13 ILE 4 HD3 ILE 4 4.169 7.652 -7.564
39 H LEU 5 HN LEU 5 -0.198 6.889 -5.526
40 HA LEU 5 HA LEU 5 -2.289 8.654 -6.189
41 HB2 LEU 5 HB1 LEU 5 -3.487 6.681 -7.036
42 HB3 LEU 5 HB2 LEU 5 -1.819 6.850 -7.632
43 HG LEU 5 HG LEU 5 -1.089 5.085 -5.924
44 HD11 LEU 5 HD11 LEU 5 -2.878 3.436 -5.235
45 HD12 LEU 5 HD12 LEU 5 -4.138 4.631 -5.712
46 HD13 LEU 5 HD13 LEU 5 -3.004 4.987 -4.348
47 HD21 LEU 5 HD21 LEU 5 -1.349 4.646 -8.354
48 HD22 LEU 5 HD22 LEU 5 -3.113 4.345 -8.128
49 HD23 LEU 5 HD23 LEU 5 -1.913 3.226 -7.392
50 H ALA 6 HN ALA 6 -1.703 7.057 -3.162
51 HA ALA 6 HA ALA 6 -4.363 7.000 -2.221
52 HB1 ALA 6 HB1 ALA 6 -3.310 7.005 0.041
53 HB2 ALA 6 HB2 ALA 6 -2.432 5.889 -1.065
54 HB3 ALA 6 HB3 ALA 6 -1.738 7.506 -0.688
55 H SER 7 HN SER 7 -1.951 9.622 -2.361
56 HA SER 7 HA SER 7 -3.520 11.590 -1.031
57 HB2 SER 7 HB1 SER 7 -1.266 11.923 -3.100
58 HB3 SER 7 HB2 SER 7 -2.032 13.279 -2.201
59 HG SER 7 HG1 SER 7 -0.480 11.153 -1.166
60 H LEU 8 HN LEU 8 -3.253 10.653 -4.460
61 HA LEU 8 HA LEU 8 -4.979 12.644 -5.486
62 HB2 LEU 8 HB1 LEU 8 -3.262 11.210 -6.750
63 HB3 LEU 8 HB2 LEU 8 -4.383 9.830 -6.574
64 HG LEU 8 HG LEU 8 -6.131 11.236 -7.851
65 HD11 LEU 8 HD11 LEU 8 -5.252 13.096 -9.270
66 HD12 LEU 8 HD12 LEU 8 -3.649 12.978 -8.464
67 HD13 LEU 8 HD13 LEU 8 -5.097 13.512 -7.527
68 HD21 LEU 8 HD21 LEU 8 -3.494 10.541 -9.294
69 HD22 LEU 8 HD22 LEU 8 -5.109 10.739 -10.063
70 HD23 LEU 8 HD23 LEU 8 -4.829 9.388 -8.906
71 H ALA 9 HN ALA 9 -5.596 9.227 -4.511
72 HA ALA 9 HA ALA 9 -8.302 9.116 -5.042
73 HB1 ALA 9 HB1 ALA 9 -6.652 7.685 -2.868
74 HB2 ALA 9 HB2 ALA 9 -8.260 7.141 -3.490
75 HB3 ALA 9 HB3 ALA 9 -6.821 7.147 -4.575
76 H ALA 10 HN ALA 10 -6.642 10.348 -2.127
77 HA ALA 10 HA ALA 10 -8.985 10.783 -0.629
78 HB1 ALA 10 HB1 ALA 10 -6.674 10.660 0.315
79 HB2 ALA 10 HB2 ALA 10 -6.251 12.189 -0.529
80 HB3 ALA 10 HB3 ALA 10 -7.497 12.189 0.793
81 H LYS 11 HN LYS 11 -8.027 12.450 -3.483
82 HA LYS 11 HA LYS 11 -9.756 14.765 -2.753
83 HB2 LYS 11 HB1 LYS 11 -7.312 14.469 -4.545
84 HB3 LYS 11 HB2 LYS 11 -8.569 15.648 -5.016
85 HG2 LYS 11 HG1 LYS 11 -6.782 16.768 -3.789
86 HG3 LYS 11 HG2 LYS 11 -8.363 16.899 -2.955
87 HD2 LYS 11 HD1 LYS 11 -7.722 15.101 -1.382
88 HD3 LYS 11 HD2 LYS 11 -6.143 14.893 -2.215
89 HE2 LYS 11 HE1 LYS 11 -5.450 17.184 -1.446
90 HE3 LYS 11 HE2 LYS 11 -7.102 17.457 -0.749
91 HZ1 LYS 11 HZ1 LYS 11 -6.757 15.546 0.671
92 HZ2 LYS 11 HZ2 LYS 11 -5.553 16.715 0.941
93 HZ3 LYS 11 HZ3 LYS 11 -5.203 15.309 0.049
94 H PHE 12 HN PHE 12 -9.019 12.386 -5.385
95 HA PHE 12 HA PHE 12 -11.449 13.258 -6.757
96 HB2 PHE 12 HB1 PHE 12 -9.098 11.409 -7.488
97 HB3 PHE 12 HB2 PHE 12 -10.557 11.587 -8.536
98 HD1 PHE 12 HD1 PHE 12 -7.555 13.329 -7.228
99 HD2 PHE 12 HD2 PHE 12 -11.082 13.654 -9.655
100 HE1 PHE 12 HE1 PHE 12 -6.667 15.412 -8.241
101 HE2 PHE 12 HE2 PHE 12 -10.194 15.728 -10.671
102 HZ PHE 12 HZ PHE 12 -7.987 16.610 -9.966
103 H GLY 13 HN GLY 13 -10.832 11.001 -4.342
104 HA2 GLY 13 HA1 GLY 13 -13.149 9.362 -5.207
105 HA3 GLY 13 HA2 GLY 13 -11.782 8.828 -4.182
106 HA PRO 14 HA PRO 14 -14.081 11.338 -0.972
107 HB2 PRO 14 HB1 PRO 14 -16.251 12.998 -1.551
108 HB3 PRO 14 HB2 PRO 14 -14.540 13.546 -1.725
109 HG2 PRO 14 HG1 PRO 14 -16.343 12.418 -3.943
110 HG3 PRO 14 HG2 PRO 14 -15.387 13.958 -3.955
111 HD2 PRO 14 HD1 PRO 14 -14.373 11.655 -5.073
112 HD3 PRO 14 HD2 PRO 14 -13.305 12.781 -4.130
113 H LYS 15 HN LYS 15 -15.872 9.966 -3.563
114 HA LYS 15 HA LYS 15 -18.107 8.837 -2.337
115 HB2 LYS 15 HB1 LYS 15 -17.619 8.939 -4.788
116 HB3 LYS 15 HB2 LYS 15 -16.194 7.887 -4.562
117 HG2 LYS 15 HG1 LYS 15 -17.722 5.978 -3.924
118 HG3 LYS 15 HG2 LYS 15 -19.138 7.045 -4.205
119 HD2 LYS 15 HD1 LYS 15 -18.402 7.388 -6.580
120 HD3 LYS 15 HD2 LYS 15 -16.954 6.372 -6.283
121 HE2 LYS 15 HE1 LYS 15 -18.437 4.366 -5.874
122 HE3 LYS 15 HE2 LYS 15 -19.893 5.388 -6.204
123 HZ1 LYS 15 HZ1 LYS 15 -19.011 5.812 -8.425
124 HZ2 LYS 15 HZ2 LYS 15 -19.198 4.151 -8.158
125 HZ3 LYS 15 HZ3 LYS 15 -17.658 4.849 -8.113
126 H LEU 16 HN LEU 16 -14.713 7.575 -2.499
127 HA LEU 16 HA LEU 16 -15.374 5.247 -0.909
128 HB2 LEU 16 HB1 LEU 16 -12.689 6.492 -1.746
129 HB3 LEU 16 HB2 LEU 16 -12.868 4.929 -0.889
130 HG LEU 16 HG LEU 16 -13.973 5.537 -3.694
131 HD11 LEU 16 HD11 LEU 16 -12.122 4.061 -4.492
132 HD12 LEU 16 HD12 LEU 16 -11.509 3.909 -2.806
133 HD13 LEU 16 HD13 LEU 16 -11.477 5.510 -3.632
134 HD21 LEU 16 HD21 LEU 16 -13.811 2.905 -2.084
135 HD22 LEU 16 HD22 LEU 16 -14.278 3.033 -3.816
136 HD23 LEU 16 HD23 LEU 16 -15.323 3.772 -2.547
137 H PHE 17 HN PHE 17 -13.834 8.429 -0.412
138 HA PHE 17 HA PHE 17 -12.867 7.950 2.118
139 HB2 PHE 17 HB1 PHE 17 -12.566 9.939 0.313
140 HB3 PHE 17 HB2 PHE 17 -13.755 10.781 1.365
141 HD1 PHE 17 HD1 PHE 17 -13.156 11.012 3.864
142 HD2 PHE 17 HD2 PHE 17 -10.339 9.616 0.938
143 HE1 PHE 17 HE1 PHE 17 -11.297 11.508 5.419
144 HE2 PHE 17 HE2 PHE 17 -8.475 10.110 2.493
145 HZ PHE 17 HZ PHE 17 -8.953 11.061 4.737
146 HN2 ABA 18 HN AGL 18 -16.077 9.402 1.282
147 HA ABA 18 HA AGL 18 -16.935 9.737 3.942
148 HB3 ABA 18 HB2 AGL 18 -18.401 9.314 1.288
149 HB2 ABA 18 HB1 AGL 18 -18.077 10.856 2.100
150 HG3 ABA 18 HG AGL 18 -20.268 8.789 2.696
151 H LEU 19 HN LEU 19 -17.229 6.845 1.783
152 HA LEU 19 HA LEU 19 -18.771 5.392 3.659
153 HB2 LEU 19 HB1 LEU 19 -17.065 4.467 1.293
154 HB3 LEU 19 HB2 LEU 19 -18.183 3.402 2.208
155 HG LEU 19 HG LEU 19 -19.026 5.918 0.653
156 HD11 LEU 19 HD11 LEU 19 -19.995 4.323 -0.992
157 HD12 LEU 19 HD12 LEU 19 -19.317 2.932 -0.060
158 HD13 LEU 19 HD13 LEU 19 -18.208 4.120 -0.851
159 HD21 LEU 19 HD21 LEU 19 -21.357 5.018 0.946
160 HD22 LEU 19 HD22 LEU 19 -20.608 5.456 2.519
161 HD23 LEU 19 HD23 LEU 19 -20.714 3.725 2.025
162 H VAL 20 HN VAL 20 -15.179 5.343 3.101
163 HA VAL 20 HA VAL 20 -14.857 3.297 5.042
164 HB VAL 20 HB VAL 20 -13.269 3.706 3.235
165 HG11 VAL 20 HG11 VAL 20 -11.544 5.443 3.410
166 HG12 VAL 20 HG12 VAL 20 -13.163 6.232 3.393
167 HG13 VAL 20 HG13 VAL 20 -12.241 6.078 4.937
168 HG21 VAL 20 HG21 VAL 20 -12.724 2.301 5.241
169 HG22 VAL 20 HG22 VAL 20 -11.271 3.146 4.598
170 HG23 VAL 20 HG23 VAL 20 -12.070 3.754 6.089
171 H THR 21 HN THR 21 -14.529 6.902 5.400
172 HA THR 21 HA THR 21 -13.894 6.640 8.158
173 HB THR 21 HB THR 21 -15.000 9.155 6.873
174 HG1 THR 21 HG1 THR 21 -12.304 8.313 7.066
175 HG21 THR 21 HG21 THR 21 -14.706 9.144 9.427
176 HG22 THR 21 HG22 THR 21 -13.513 10.222 8.615
177 HG23 THR 21 HG23 THR 21 -13.008 8.601 9.207
178 H LYS 22 HN LYS 22 -16.922 6.729 6.409
179 HA LYS 22 HA LYS 22 -19.018 6.599 6.896
180 HB2 LYS 22 HB1 LYS 22 -18.242 5.680 9.692
181 HB3 LYS 22 HB2 LYS 22 -19.798 5.369 8.881
182 HG2 LYS 22 HG1 LYS 22 -18.898 3.801 7.354
183 HG3 LYS 22 HG2 LYS 22 -17.224 4.329 7.567
184 HD2 LYS 22 HD1 LYS 22 -18.899 2.743 9.598
185 HD3 LYS 22 HD2 LYS 22 -17.542 2.160 8.595
186 HE2 LYS 22 HE1 LYS 22 -17.448 3.991 11.062
187 HE3 LYS 22 HE2 LYS 22 -16.587 2.435 10.761
188 HZ1 LYS 22 HZ1 LYS 22 -15.463 3.803 8.862
189 HZ2 LYS 22 HZ2 LYS 22 -14.981 4.071 10.468
190 HZ3 LYS 22 HZ3 LYS 22 -16.042 5.134 9.692
191 H LYS 23 HN LYS 23 -17.559 9.209 7.865
192 HA LYS 23 HA LYS 23 -19.765 10.086 9.658
193 HB2 LYS 23 HB1 LYS 23 -18.388 11.578 10.754
194 HB3 LYS 23 HB2 LYS 23 -17.444 10.085 10.651
195 HG2 LYS 23 HG1 LYS 23 -15.842 10.969 9.260
196 HG3 LYS 23 HG2 LYS 23 -16.910 12.107 8.412
197 HD2 LYS 23 HD1 LYS 23 -16.180 12.543 11.370
198 HD3 LYS 23 HD2 LYS 23 -15.076 13.001 10.050
199 HE2 LYS 23 HE1 LYS 23 -16.358 14.977 10.753
200 HE3 LYS 23 HE2 LYS 23 -16.733 14.538 9.042
201 HZ1 LYS 23 HZ1 LYS 23 -18.765 13.546 9.752
202 HZ2 LYS 23 HZ2 LYS 23 -18.705 15.121 10.355
203 HZ3 LYS 23 HZ3 LYS 23 -18.423 13.805 11.388
204 HN2 ABA 24 HN AGL 24 -19.569 10.204 6.505
205 HA ABA 24 HA AGL 24 -19.608 13.079 6.111
206 HB3 ABA 24 HB2 AGL 24 -18.532 11.750 4.385
207 HB2 ABA 24 HB1 AGL 24 -19.933 12.652 3.744
208 HG3 ABA 24 HG AGL 24 -21.246 10.270 4.255
Start of MODEL 2
1 H1 PHE 1 HN PHE 1 -0.473 -1.020 -3.688
2 HA PHE 1 HA PHE 1 -1.157 1.202 -2.624
3 HB2 PHE 1 HB1 PHE 1 0.623 -0.810 -1.099
4 HB3 PHE 1 HB2 PHE 1 -0.434 0.423 -0.310
5 HD1 PHE 1 HD1 PHE 1 -2.943 0.462 -1.184
6 HD2 PHE 1 HD2 PHE 1 -0.327 -2.938 -1.428
7 HE1 PHE 1 HE1 PHE 1 -4.905 -1.032 -1.388
8 HE2 PHE 1 HE2 PHE 1 -2.293 -4.433 -1.621
9 HZ PHE 1 HZ PHE 1 -4.583 -3.480 -1.610
10 H LEU 2 HN LEU 2 0.971 1.809 -4.400
11 HA LEU 2 HA LEU 2 3.118 3.013 -3.103
12 HB2 LEU 2 HB1 LEU 2 1.772 3.674 -5.773
13 HB3 LEU 2 HB2 LEU 2 3.245 4.506 -5.195
14 HG LEU 2 HG LEU 2 4.414 2.253 -5.068
15 HD11 LEU 2 HD11 LEU 2 3.550 0.453 -6.628
16 HD12 LEU 2 HD12 LEU 2 1.976 1.313 -6.716
17 HD13 LEU 2 HD13 LEU 2 2.554 0.621 -5.151
18 HD21 LEU 2 HD21 LEU 2 4.784 3.931 -6.888
19 HD22 LEU 2 HD22 LEU 2 3.412 3.220 -7.820
20 HD23 LEU 2 HD23 LEU 2 4.890 2.243 -7.517
21 HA PRO 3 HA PRO 3 0.918 6.037 -0.997
22 HB2 PRO 3 HB1 PRO 3 2.866 7.925 -0.191
23 HB3 PRO 3 HB2 PRO 3 2.754 6.240 0.436
24 HG2 PRO 3 HG1 PRO 3 4.519 7.236 -1.869
25 HG3 PRO 3 HG2 PRO 3 5.013 6.255 -0.425
26 HD2 PRO 3 HD1 PRO 3 4.454 5.004 -2.799
27 HD3 PRO 3 HD2 PRO 3 3.803 4.305 -1.245
28 H ILE 4 HN ILE 4 2.674 7.330 -3.692
29 HA ILE 4 HA ILE 4 1.628 9.801 -4.160
30 HB ILE 4 HB ILE 4 2.040 7.651 -6.272
31 HG12 ILE 4 HG11 ILE 4 4.031 9.627 -4.997
32 HG13 ILE 4 HG12 ILE 4 4.044 7.847 -4.777
33 HG21 ILE 4 HG21 ILE 4 0.799 9.727 -7.060
34 HG22 ILE 4 HG22 ILE 4 2.115 10.752 -6.368
35 HG23 ILE 4 HG23 ILE 4 2.447 9.656 -7.747
36 HD11 ILE 4 HD1 ILE 4 4.578 9.352 -7.413
37 HD12 ILE 4 HD2 ILE 4 5.750 8.423 -6.424
38 HD13 ILE 4 HD3 ILE 4 4.411 7.567 -7.279
39 H LEU 5 HN LEU 5 0.065 6.791 -5.436
40 HA LEU 5 HA LEU 5 -2.183 8.178 -6.338
41 HB2 LEU 5 HB1 LEU 5 -3.144 6.058 -6.926
42 HB3 LEU 5 HB2 LEU 5 -1.412 6.096 -7.320
43 HG LEU 5 HG LEU 5 -1.223 4.911 -4.875
44 HD11 LEU 5 HD11 LEU 5 -3.711 4.881 -4.443
45 HD12 LEU 5 HD12 LEU 5 -3.034 3.218 -4.608
46 HD13 LEU 5 HD13 LEU 5 -3.946 3.955 -5.974
47 HD21 LEU 5 HD21 LEU 5 -0.297 4.056 -7.030
48 HD22 LEU 5 HD22 LEU 5 -1.939 3.467 -7.500
49 HD23 LEU 5 HD23 LEU 5 -1.095 2.742 -6.085
50 H ALA 6 HN ALA 6 -1.650 6.620 -3.150
51 HA ALA 6 HA ALA 6 -4.275 6.860 -2.214
52 HB1 ALA 6 HB1 ALA 6 -2.425 5.597 -1.065
53 HB2 ALA 6 HB2 ALA 6 -1.606 7.153 -0.691
54 HB3 ALA 6 HB3 ALA 6 -3.209 6.779 0.055
55 H SER 7 HN SER 7 -1.641 9.266 -2.234
56 HA SER 7 HA SER 7 -3.009 11.329 -0.898
57 HB2 SER 7 HB1 SER 7 -0.761 11.533 -2.990
58 HB3 SER 7 HB2 SER 7 -1.353 12.896 -1.979
59 HG SER 7 HG1 SER 7 -0.079 10.506 -1.124
60 H LEU 8 HN LEU 8 -2.931 10.494 -4.370
61 HA LEU 8 HA LEU 8 -4.570 12.636 -5.261
62 HB2 LEU 8 HB1 LEU 8 -2.970 11.220 -6.643
63 HB3 LEU 8 HB2 LEU 8 -4.061 9.827 -6.415
64 HG LEU 8 HG LEU 8 -5.893 11.181 -7.603
65 HD11 LEU 8 HD11 LEU 8 -5.132 13.057 -9.069
66 HD12 LEU 8 HD12 LEU 8 -3.499 13.009 -8.314
67 HD13 LEU 8 HD13 LEU 8 -4.944 13.489 -7.332
68 HD21 LEU 8 HD21 LEU 8 -3.312 10.566 -9.175
69 HD22 LEU 8 HD22 LEU 8 -4.970 10.719 -9.860
70 HD23 LEU 8 HD23 LEU 8 -4.594 9.375 -8.721
71 H ALA 9 HN ALA 9 -5.292 9.222 -4.384
72 HA ALA 9 HA ALA 9 -7.932 9.122 -5.087
73 HB1 ALA 9 HB1 ALA 9 -6.460 7.616 -2.839
74 HB2 ALA 9 HB2 ALA 9 -8.010 7.095 -3.607
75 HB3 ALA 9 HB3 ALA 9 -6.493 7.142 -4.576
76 H ALA 10 HN ALA 10 -6.566 10.358 -2.053
77 HA ALA 10 HA ALA 10 -9.003 10.581 -0.665
78 HB1 ALA 10 HB1 ALA 10 -6.745 10.733 0.380
79 HB2 ALA 10 HB2 ALA 10 -6.435 12.273 -0.500
80 HB3 ALA 10 HB3 ALA 10 -7.728 12.190 0.770
81 H LYS 11 HN LYS 11 -8.006 12.434 -3.455
82 HA LYS 11 HA LYS 11 -9.980 14.567 -2.781
83 HB2 LYS 11 HB1 LYS 11 -7.716 14.480 -4.870
84 HB3 LYS 11 HB2 LYS 11 -8.976 15.745 -4.806
85 HG2 LYS 11 HG1 LYS 11 -6.977 16.629 -3.857
86 HG3 LYS 11 HG2 LYS 11 -8.213 16.490 -2.565
87 HD2 LYS 11 HD1 LYS 11 -7.117 14.566 -1.597
88 HD3 LYS 11 HD2 LYS 11 -6.114 14.317 -3.065
89 HE2 LYS 11 HE1 LYS 11 -4.804 16.387 -2.547
90 HE3 LYS 11 HE2 LYS 11 -5.798 16.655 -1.052
91 HZ1 LYS 11 HZ1 LYS 11 -5.037 14.619 -0.167
92 HZ2 LYS 11 HZ2 LYS 11 -3.643 15.397 -0.757
93 HZ3 LYS 11 HZ3 LYS 11 -4.365 14.126 -1.628
94 H PHE 12 HN PHE 12 -9.004 12.163 -5.297
95 HA PHE 12 HA PHE 12 -11.386 12.869 -6.847
96 HB2 PHE 12 HB1 PHE 12 -8.931 11.073 -7.343
97 HB3 PHE 12 HB2 PHE 12 -10.347 11.104 -8.463
98 HD1 PHE 12 HD1 PHE 12 -7.510 13.106 -7.144
99 HD2 PHE 12 HD2 PHE 12 -10.918 13.041 -9.755
100 HE1 PHE 12 HE1 PHE 12 -6.697 15.167 -8.263
101 HE2 PHE 12 HE2 PHE 12 -10.101 15.089 -10.877
102 HZ PHE 12 HZ PHE 12 -7.993 16.155 -10.132
103 H GLY 13 HN GLY 13 -10.818 10.753 -4.291
104 HA2 GLY 13 HA1 GLY 13 -13.106 9.063 -5.148
105 HA3 GLY 13 HA2 GLY 13 -11.735 8.551 -4.109
106 HA PRO 14 HA PRO 14 -14.068 11.190 -1.012
107 HB2 PRO 14 HB1 PRO 14 -16.292 12.744 -1.677
108 HB3 PRO 14 HB2 PRO 14 -14.600 13.332 -1.890
109 HG2 PRO 14 HG1 PRO 14 -16.372 12.022 -4.031
110 HG3 PRO 14 HG2 PRO 14 -15.464 13.586 -4.136
111 HD2 PRO 14 HD1 PRO 14 -14.376 11.257 -5.125
112 HD3 PRO 14 HD2 PRO 14 -13.346 12.467 -4.243
113 H LYS 15 HN LYS 15 -15.842 9.623 -3.511
114 HA LYS 15 HA LYS 15 -18.031 8.503 -2.193
115 HB2 LYS 15 HB1 LYS 15 -17.570 8.486 -4.652
116 HB3 LYS 15 HB2 LYS 15 -16.123 7.475 -4.388
117 HG2 LYS 15 HG1 LYS 15 -17.602 5.573 -3.638
118 HG3 LYS 15 HG2 LYS 15 -19.042 6.597 -3.942
119 HD2 LYS 15 HD1 LYS 15 -18.355 6.845 -6.343
120 HD3 LYS 15 HD2 LYS 15 -16.889 5.862 -6.029
121 HE2 LYS 15 HE1 LYS 15 -18.334 3.858 -5.502
122 HE3 LYS 15 HE2 LYS 15 -19.812 4.846 -5.841
123 HZ1 LYS 15 HZ1 LYS 15 -17.615 4.254 -7.779
124 HZ2 LYS 15 HZ2 LYS 15 -18.992 5.182 -8.099
125 HZ3 LYS 15 HZ3 LYS 15 -19.145 3.532 -7.754
126 H LEU 16 HN LEU 16 -14.610 7.318 -2.341
127 HA LEU 16 HA LEU 16 -15.170 5.058 -0.626
128 HB2 LEU 16 HB1 LEU 16 -12.536 6.359 -1.538
129 HB3 LEU 16 HB2 LEU 16 -12.658 4.821 -0.630
130 HG LEU 16 HG LEU 16 -13.804 5.307 -3.444
131 HD11 LEU 16 HD11 LEU 16 -11.914 3.872 -4.217
132 HD12 LEU 16 HD12 LEU 16 -11.281 3.785 -2.533
133 HD13 LEU 16 HD13 LEU 16 -11.309 5.363 -3.403
134 HD21 LEU 16 HD21 LEU 16 -15.086 3.534 -2.234
135 HD22 LEU 16 HD22 LEU 16 -13.542 2.726 -1.766
136 HD23 LEU 16 HD23 LEU 16 -14.031 2.795 -3.495
137 H PHE 17 HN PHE 17 -13.728 8.308 -0.302
138 HA PHE 17 HA PHE 17 -12.739 8.008 2.248
139 HB2 PHE 17 HB1 PHE 17 -12.463 9.889 0.353
140 HB3 PHE 17 HB2 PHE 17 -13.730 10.750 1.295
141 HD1 PHE 17 HD1 PHE 17 -13.217 11.414 3.665
142 HD2 PHE 17 HD2 PHE 17 -10.282 9.470 1.203
143 HE1 PHE 17 HE1 PHE 17 -11.440 12.064 5.266
144 HE2 PHE 17 HE2 PHE 17 -8.504 10.126 2.801
145 HZ PHE 17 HZ PHE 17 -9.086 11.424 4.835
146 HN2 ABA 18 HN AGL 18 -15.993 9.223 1.309
147 HA ABA 18 HA AGL 18 -16.938 9.727 3.903
148 HB3 ABA 18 HB2 AGL 18 -18.336 8.897 1.294
149 HB2 ABA 18 HB1 AGL 18 -18.013 10.553 1.827
150 HG3 ABA 18 HG AGL 18 -20.247 8.676 2.737
151 H LEU 19 HN LEU 19 -17.068 6.652 1.980
152 HA LEU 19 HA LEU 19 -18.562 5.277 3.958
153 HB2 LEU 19 HB1 LEU 19 -16.796 4.260 1.668
154 HB3 LEU 19 HB2 LEU 19 -17.888 3.218 2.641
155 HG LEU 19 HG LEU 19 -18.809 5.595 0.922
156 HD11 LEU 19 HD11 LEU 19 -19.669 3.865 -0.648
157 HD12 LEU 19 HD12 LEU 19 -18.938 2.565 0.370
158 HD13 LEU 19 HD13 LEU 19 -17.877 3.763 -0.469
159 HD21 LEU 19 HD21 LEU 19 -21.098 4.602 1.230
160 HD22 LEU 19 HD22 LEU 19 -20.398 5.153 2.791
161 HD23 LEU 19 HD23 LEU 19 -20.415 3.396 2.380
162 H VAL 20 HN VAL 20 -14.997 5.331 3.342
163 HA VAL 20 HA VAL 20 -14.482 3.425 5.345
164 HB VAL 20 HB VAL 20 -12.974 3.961 3.464
165 HG11 VAL 20 HG11 VAL 20 -12.071 6.343 5.224
166 HG12 VAL 20 HG12 VAL 20 -11.347 5.798 3.675
167 HG13 VAL 20 HG13 VAL 20 -13.016 6.478 3.692
168 HG21 VAL 20 HG21 VAL 20 -10.918 3.492 4.774
169 HG22 VAL 20 HG22 VAL 20 -11.721 4.013 6.292
170 HG23 VAL 20 HG23 VAL 20 -12.300 2.539 5.421
171 H THR 21 HN THR 21 -14.748 6.955 5.563
172 HA THR 21 HA THR 21 -13.872 6.931 8.345
173 HB THR 21 HB THR 21 -14.953 9.402 6.948
174 HG1 THR 21 HG1 THR 21 -13.503 8.749 5.484
175 HG21 THR 21 HG21 THR 21 -12.613 8.837 8.911
176 HG22 THR 21 HG22 THR 21 -14.218 9.473 9.419
177 HG23 THR 21 HG23 THR 21 -13.148 10.454 8.347
178 H LYS 22 HN LYS 22 -16.850 6.630 6.687
179 HA LYS 22 HA LYS 22 -18.939 6.548 7.191
180 HB2 LYS 22 HB1 LYS 22 -18.199 6.137 10.121
181 HB3 LYS 22 HB2 LYS 22 -19.740 5.723 9.324
182 HG2 LYS 22 HG1 LYS 22 -18.855 3.648 9.333
183 HG3 LYS 22 HG2 LYS 22 -18.187 4.191 7.761
184 HD2 LYS 22 HD1 LYS 22 -16.076 4.885 8.997
185 HD3 LYS 22 HD2 LYS 22 -16.769 4.247 10.519
186 HE2 LYS 22 HE1 LYS 22 -16.685 1.930 9.666
187 HE3 LYS 22 HE2 LYS 22 -16.313 2.518 7.990
188 HZ1 LYS 22 HZ1 LYS 22 -14.577 2.996 10.363
189 HZ2 LYS 22 HZ2 LYS 22 -14.299 3.432 8.753
190 HZ3 LYS 22 HZ3 LYS 22 -14.316 1.790 9.184
191 H LYS 23 HN LYS 23 -17.675 9.359 7.617
192 HA LYS 23 HA LYS 23 -19.939 10.421 9.239
193 HB2 LYS 23 HB1 LYS 23 -18.540 11.851 10.444
194 HB3 LYS 23 HB2 LYS 23 -17.773 10.255 10.503
195 HG2 LYS 23 HG1 LYS 23 -15.940 10.859 9.300
196 HG3 LYS 23 HG2 LYS 23 -16.750 12.057 8.261
197 HD2 LYS 23 HD1 LYS 23 -16.306 12.595 11.263
198 HD3 LYS 23 HD2 LYS 23 -15.022 12.847 10.058
199 HE2 LYS 23 HE1 LYS 23 -16.121 14.993 10.514
200 HE3 LYS 23 HE2 LYS 23 -16.377 14.498 8.796
201 HZ1 LYS 23 HZ1 LYS 23 -18.365 14.106 10.985
202 HZ2 LYS 23 HZ2 LYS 23 -18.573 13.797 9.335
203 HZ3 LYS 23 HZ3 LYS 23 -18.383 15.384 9.867
204 HN2 ABA 24 HN AGL 24 -19.450 10.428 6.171
205 HA ABA 24 HA AGL 24 -19.141 13.233 5.611
206 HB3 ABA 24 HB2 AGL 24 -18.331 11.729 3.950
207 HB2 ABA 24 HB1 AGL 24 -19.700 12.633 3.262
208 HG3 ABA 24 HG AGL 24 -21.136 10.409 4.072
Start of MODEL 3
1 H1 PHE 1 HN PHE 1 4.655 -1.092 -3.392
2 HA PHE 1 HA PHE 1 2.277 -0.687 -1.829
3 HB2 PHE 1 HB1 PHE 1 4.998 0.573 -1.048
4 HB3 PHE 1 HB2 PHE 1 3.409 1.082 -0.358
5 HD1 PHE 1 HD1 PHE 1 2.144 -0.437 1.115
6 HD2 PHE 1 HD2 PHE 1 6.049 -1.477 -0.339
7 HE1 PHE 1 HE1 PHE 1 2.343 -2.162 2.881
8 HE2 PHE 1 HE2 PHE 1 6.250 -3.202 1.430
9 HZ PHE 1 HZ PHE 1 4.396 -3.544 3.042
10 H LEU 2 HN LEU 2 1.149 1.151 -2.616
11 HA LEU 2 HA LEU 2 2.574 2.714 -4.701
12 HB2 LEU 2 HB1 LEU 2 -0.394 1.963 -4.553
13 HB3 LEU 2 HB2 LEU 2 0.393 3.002 -5.775
14 HG LEU 2 HG LEU 2 1.927 0.864 -6.206
15 HD11 LEU 2 HD11 LEU 2 -0.660 -0.413 -5.086
16 HD12 LEU 2 HD12 LEU 2 1.001 -0.638 -4.416
17 HD13 LEU 2 HD13 LEU 2 0.594 -1.273 -6.047
18 HD21 LEU 2 HD21 LEU 2 -0.992 1.034 -7.181
19 HD22 LEU 2 HD22 LEU 2 0.353 0.162 -7.995
20 HD23 LEU 2 HD23 LEU 2 0.401 1.958 -7.865
21 HA PRO 3 HA PRO 3 1.097 5.356 -1.328
22 HB2 PRO 3 HB1 PRO 3 3.263 7.037 -0.912
23 HB3 PRO 3 HB2 PRO 3 3.278 5.297 -0.446
24 HG2 PRO 3 HG1 PRO 3 4.409 6.527 -3.023
25 HG3 PRO 3 HG2 PRO 3 5.231 5.398 -1.868
26 HD2 PRO 3 HD1 PRO 3 3.987 4.437 -4.147
27 HD3 PRO 3 HD2 PRO 3 3.889 3.545 -2.566
28 H ILE 4 HN ILE 4 2.581 6.832 -4.184
29 HA ILE 4 HA ILE 4 1.737 9.385 -4.161
30 HB ILE 4 HB ILE 4 1.697 7.613 -6.639
31 HG12 ILE 4 HG11 ILE 4 3.832 7.212 -5.544
32 HG13 ILE 4 HG12 ILE 4 4.052 8.274 -6.958
33 HG21 ILE 4 HG21 ILE 4 2.348 9.786 -7.774
34 HG22 ILE 4 HG22 ILE 4 0.710 9.861 -7.046
35 HG23 ILE 4 HG23 ILE 4 2.098 10.655 -6.218
36 HD11 ILE 4 HD1 ILE 4 4.043 9.219 -4.005
37 HD12 ILE 4 HD2 ILE 4 5.473 9.059 -5.083
38 HD13 ILE 4 HD3 ILE 4 4.216 10.290 -5.442
39 H LEU 5 HN LEU 5 -0.217 6.844 -5.759
40 HA LEU 5 HA LEU 5 -2.349 8.548 -6.274
41 HB2 LEU 5 HB1 LEU 5 -3.564 6.478 -6.959
42 HB3 LEU 5 HB2 LEU 5 -1.964 6.725 -7.696
43 HG LEU 5 HG LEU 5 -0.981 5.052 -6.030
44 HD11 LEU 5 HD11 LEU 5 -2.602 3.347 -5.098
45 HD12 LEU 5 HD12 LEU 5 -3.961 4.465 -5.478
46 HD13 LEU 5 HD13 LEU 5 -2.708 4.926 -4.260
47 HD21 LEU 5 HD21 LEU 5 -1.833 3.106 -7.351
48 HD22 LEU 5 HD22 LEU 5 -1.469 4.522 -8.409
49 HD23 LEU 5 HD23 LEU 5 -3.174 4.123 -7.984
50 H ALA 6 HN ALA 6 -1.654 7.212 -3.142
51 HA ALA 6 HA ALA 6 -4.321 6.911 -2.248
52 HB1 ALA 6 HB1 ALA 6 -1.773 7.708 -0.709
53 HB2 ALA 6 HB2 ALA 6 -3.303 7.099 0.028
54 HB3 ALA 6 HB3 ALA 6 -2.317 6.023 -1.027
55 H SER 7 HN SER 7 -2.102 9.749 -2.223
56 HA SER 7 HA SER 7 -3.906 11.601 -1.147
57 HB2 SER 7 HB1 SER 7 -1.629 12.066 -3.166
58 HB3 SER 7 HB2 SER 7 -2.437 13.346 -2.175
59 HG SER 7 HG1 SER 7 -0.488 12.578 -1.222
60 H LEU 8 HN LEU 8 -3.329 10.593 -4.514
61 HA LEU 8 HA LEU 8 -5.060 12.459 -5.738
62 HB2 LEU 8 HB1 LEU 8 -3.202 11.038 -6.822
63 HB3 LEU 8 HB2 LEU 8 -4.311 9.640 -6.703
64 HG LEU 8 HG LEU 8 -5.979 10.981 -8.137
65 HD11 LEU 8 HD11 LEU 8 -5.037 12.832 -9.529
66 HD12 LEU 8 HD12 LEU 8 -3.493 12.760 -8.608
67 HD13 LEU 8 HD13 LEU 8 -5.011 13.286 -7.785
68 HD21 LEU 8 HD21 LEU 8 -4.784 10.457 -10.257
69 HD22 LEU 8 HD22 LEU 8 -4.566 9.140 -9.048
70 HD23 LEU 8 HD23 LEU 8 -3.229 10.311 -9.362
71 H ALA 9 HN ALA 9 -5.617 9.077 -4.636
72 HA ALA 9 HA ALA 9 -8.292 8.871 -5.339
73 HB1 ALA 9 HB1 ALA 9 -6.717 7.532 -3.057
74 HB2 ALA 9 HB2 ALA 9 -8.289 6.947 -3.726
75 HB3 ALA 9 HB3 ALA 9 -6.808 6.943 -4.752
76 H ALA 10 HN ALA 10 -6.858 10.059 -2.213
77 HA ALA 10 HA ALA 10 -9.347 10.576 -1.009
78 HB1 ALA 10 HB1 ALA 10 -8.020 12.082 0.492
79 HB2 ALA 10 HB2 ALA 10 -7.145 10.536 0.195
80 HB3 ALA 10 HB3 ALA 10 -6.644 12.024 -0.679
81 H LYS 11 HN LYS 11 -7.301 12.708 -3.038
82 HA LYS 11 HA LYS 11 -8.968 14.950 -2.922
83 HB2 LYS 11 HB1 LYS 11 -6.650 15.194 -3.478
84 HB3 LYS 11 HB2 LYS 11 -6.767 13.991 -4.784
85 HG2 LYS 11 HG1 LYS 11 -6.484 16.256 -5.708
86 HG3 LYS 11 HG2 LYS 11 -7.997 15.470 -6.215
87 HD2 LYS 11 HD1 LYS 11 -8.984 16.905 -4.075
88 HD3 LYS 11 HD2 LYS 11 -7.545 17.895 -4.407
89 HE2 LYS 11 HE1 LYS 11 -9.615 18.754 -5.568
90 HE3 LYS 11 HE2 LYS 11 -8.362 18.269 -6.781
91 HZ1 LYS 11 HZ1 LYS 11 -9.554 16.375 -7.319
92 HZ2 LYS 11 HZ2 LYS 11 -10.814 17.479 -7.029
93 HZ3 LYS 11 HZ3 LYS 11 -10.379 16.325 -5.861
94 H PHE 12 HN PHE 12 -9.007 12.305 -5.397
95 HA PHE 12 HA PHE 12 -11.317 13.687 -6.651
96 HB2 PHE 12 HB1 PHE 12 -9.265 11.665 -7.712
97 HB3 PHE 12 HB2 PHE 12 -10.774 12.077 -8.607
98 HD1 PHE 12 HD1 PHE 12 -7.416 13.176 -7.811
99 HD2 PHE 12 HD2 PHE 12 -11.252 14.438 -9.247
100 HE1 PHE 12 HE1 PHE 12 -6.375 15.198 -8.808
101 HE2 PHE 12 HE2 PHE 12 -10.219 16.458 -10.252
102 HZ PHE 12 HZ PHE 12 -7.778 16.843 -10.022
103 H GLY 13 HN GLY 13 -10.859 11.120 -4.468
104 HA2 GLY 13 HA1 GLY 13 -13.386 9.883 -5.405
105 HA3 GLY 13 HA2 GLY 13 -12.013 9.057 -4.607
106 HA PRO 14 HA PRO 14 -13.732 11.244 -0.899
107 HB2 PRO 14 HB1 PRO 14 -15.775 13.149 -0.975
108 HB3 PRO 14 HB2 PRO 14 -14.055 13.558 -1.335
109 HG2 PRO 14 HG1 PRO 14 -16.240 12.843 -3.379
110 HG3 PRO 14 HG2 PRO 14 -15.175 14.310 -3.361
111 HD2 PRO 14 HD1 PRO 14 -14.489 12.107 -4.862
112 HD3 PRO 14 HD2 PRO 14 -13.220 13.001 -3.912
113 H LYS 15 HN LYS 15 -15.809 10.100 -3.327
114 HA LYS 15 HA LYS 15 -18.035 9.132 -1.909
115 HB2 LYS 15 HB1 LYS 15 -17.774 9.197 -4.402
116 HB3 LYS 15 HB2 LYS 15 -16.417 8.038 -4.297
117 HG2 LYS 15 HG1 LYS 15 -18.027 6.272 -3.447
118 HG3 LYS 15 HG2 LYS 15 -19.370 7.445 -3.635
119 HD2 LYS 15 HD1 LYS 15 -18.837 7.649 -6.083
120 HD3 LYS 15 HD2 LYS 15 -17.460 6.516 -5.877
121 HE2 LYS 15 HE1 LYS 15 -19.071 4.674 -5.225
122 HE3 LYS 15 HE2 LYS 15 -20.454 5.813 -5.481
123 HZ1 LYS 15 HZ1 LYS 15 -18.462 4.974 -7.542
124 HZ2 LYS 15 HZ2 LYS 15 -19.742 6.051 -7.789
125 HZ3 LYS 15 HZ3 LYS 15 -20.059 4.430 -7.416
126 H LEU 16 HN LEU 16 -14.752 7.680 -2.400
127 HA LEU 16 HA LEU 16 -15.365 5.341 -0.844
128 HB2 LEU 16 HB1 LEU 16 -12.701 6.576 -1.758
129 HB3 LEU 16 HB2 LEU 16 -12.865 4.979 -0.965
130 HG LEU 16 HG LEU 16 -14.099 5.739 -3.678
131 HD11 LEU 16 HD11 LEU 16 -11.640 4.011 -2.990
132 HD12 LEU 16 HD12 LEU 16 -11.605 5.648 -3.742
133 HD13 LEU 16 HD13 LEU 16 -12.331 4.257 -4.634
134 HD21 LEU 16 HD21 LEU 16 -15.439 3.954 -2.550
135 HD22 LEU 16 HD22 LEU 16 -13.929 3.032 -2.199
136 HD23 LEU 16 HD23 LEU 16 -14.473 3.250 -3.899
137 H PHE 17 HN PHE 17 -13.759 8.469 -0.253
138 HA PHE 17 HA PHE 17 -12.780 7.874 2.266
139 HB2 PHE 17 HB1 PHE 17 -12.511 9.953 0.510
140 HB3 PHE 17 HB2 PHE 17 -13.614 10.750 1.684
141 HD1 PHE 17 HD1 PHE 17 -12.864 10.799 4.150
142 HD2 PHE 17 HD2 PHE 17 -10.267 9.514 0.978
143 HE1 PHE 17 HE1 PHE 17 -10.899 11.150 5.614
144 HE2 PHE 17 HE2 PHE 17 -8.302 9.858 2.445
145 HZ PHE 17 HZ PHE 17 -8.616 10.683 4.762
146 HN2 ABA 18 HN AGL 18 -15.959 9.372 1.434
147 HA ABA 18 HA AGL 18 -16.902 9.593 4.065
148 HB3 ABA 18 HB2 AGL 18 -18.318 9.176 1.376
149 HB2 ABA 18 HB1 AGL 18 -17.970 10.727 2.158
150 HG3 ABA 18 HG AGL 18 -20.224 8.744 2.764
151 H LEU 19 HN LEU 19 -17.083 6.762 1.814
152 HA LEU 19 HA LEU 19 -18.643 5.203 3.581
153 HB2 LEU 19 HB1 LEU 19 -16.790 4.443 1.270
154 HB3 LEU 19 HB2 LEU 19 -17.837 3.262 2.122
155 HG LEU 19 HG LEU 19 -18.903 5.753 0.677
156 HD11 LEU 19 HD11 LEU 19 -18.757 2.827 -0.286
157 HD12 LEU 19 HD12 LEU 19 -17.797 4.215 -0.930
158 HD13 LEU 19 HD13 LEU 19 -19.591 4.185 -1.136
159 HD21 LEU 19 HD21 LEU 19 -20.461 4.917 2.434
160 HD22 LEU 19 HD22 LEU 19 -20.328 3.243 1.776
161 HD23 LEU 19 HD23 LEU 19 -21.102 4.543 0.796
162 H VAL 20 HN VAL 20 -15.015 5.284 3.198
163 HA VAL 20 HA VAL 20 -14.734 3.212 5.116
164 HB VAL 20 HB VAL 20 -12.370 3.691 5.230
165 HG11 VAL 20 HG11 VAL 20 -13.523 3.742 2.360
166 HG12 VAL 20 HG12 VAL 20 -11.899 3.155 2.859
167 HG13 VAL 20 HG13 VAL 20 -13.375 2.279 3.407
168 HG21 VAL 20 HG21 VAL 20 -11.388 5.459 3.719
169 HG22 VAL 20 HG22 VAL 20 -13.039 6.100 3.407
170 HG23 VAL 20 HG23 VAL 20 -12.325 6.190 5.063
171 H THR 21 HN THR 21 -14.522 6.816 5.587
172 HA THR 21 HA THR 21 -14.002 6.470 8.362
173 HB THR 21 HB THR 21 -15.129 9.002 7.127
174 HG1 THR 21 HG1 THR 21 -12.414 8.262 7.379
175 HG21 THR 21 HG21 THR 21 -13.711 10.037 8.948
176 HG22 THR 21 HG22 THR 21 -13.195 8.404 9.498
177 HG23 THR 21 HG23 THR 21 -14.908 8.909 9.681
178 H LYS 22 HN LYS 22 -16.953 6.589 6.484
179 HA LYS 22 HA LYS 22 -19.076 6.479 6.869
180 HB2 LYS 22 HB1 LYS 22 -18.366 5.425 9.642
181 HB3 LYS 22 HB2 LYS 22 -19.959 5.263 8.861
182 HG2 LYS 22 HG1 LYS 22 -19.244 3.687 7.290
183 HG3 LYS 22 HG2 LYS 22 -17.516 4.072 7.439
184 HD2 LYS 22 HD1 LYS 22 -18.838 3.139 9.991
185 HD3 LYS 22 HD2 LYS 22 -18.789 1.937 8.678
186 HE2 LYS 22 HE1 LYS 22 -16.810 1.839 10.305
187 HE3 LYS 22 HE2 LYS 22 -16.384 1.928 8.550
188 HZ1 LYS 22 HZ1 LYS 22 -16.612 4.501 9.879
189 HZ2 LYS 22 HZ2 LYS 22 -15.496 3.910 8.770
190 HZ3 LYS 22 HZ3 LYS 22 -15.324 3.520 10.406
191 H LYS 23 HN LYS 23 -17.603 9.038 8.017
192 HA LYS 23 HA LYS 23 -19.910 9.888 9.695
193 HB2 LYS 23 HB1 LYS 23 -18.605 11.357 10.892
194 HB3 LYS 23 HB2 LYS 23 -17.643 9.872 10.809
195 HG2 LYS 23 HG1 LYS 23 -15.964 10.819 9.571
196 HG3 LYS 23 HG2 LYS 23 -16.992 11.929 8.639
197 HD2 LYS 23 HD1 LYS 23 -16.510 12.386 11.646
198 HD3 LYS 23 HD2 LYS 23 -15.306 12.852 10.420
199 HE2 LYS 23 HE1 LYS 23 -16.635 14.821 10.988
200 HE3 LYS 23 HE2 LYS 23 -16.907 14.358 9.264
201 HZ1 LYS 23 HZ1 LYS 23 -18.952 14.961 10.441
202 HZ2 LYS 23 HZ2 LYS 23 -18.738 13.666 11.518
203 HZ3 LYS 23 HZ3 LYS 23 -18.981 13.380 9.868
204 HN2 ABA 24 HN AGL 24 -19.434 10.120 6.531
205 HA ABA 24 HA AGL 24 -19.274 12.959 6.204
206 HB3 ABA 24 HB2 AGL 24 -18.337 11.579 4.480
207 HB2 ABA 24 HB1 AGL 24 -19.655 12.573 3.811
208 HG3 ABA 24 HG AGL 24 -21.136 10.268 4.338
Start of MODEL 4
1 H1 PHE 1 HN PHE 1 -1.449 0.168 -2.904
2 HA PHE 1 HA PHE 1 0.553 -0.005 -1.361
3 HB2 PHE 1 HB1 PHE 1 0.969 -0.722 -4.344
4 HB3 PHE 1 HB2 PHE 1 1.820 -1.486 -2.947
5 HD1 PHE 1 HD1 PHE 1 0.110 -2.408 -1.053
6 HD2 PHE 1 HD2 PHE 1 -0.835 -1.880 -5.213
7 HE1 PHE 1 HE1 PHE 1 -1.738 -4.043 -0.844
8 HE2 PHE 1 HE2 PHE 1 -2.675 -3.520 -5.002
9 HZ PHE 1 HZ PHE 1 -3.134 -4.599 -2.818
10 H LEU 2 HN LEU 2 0.410 2.437 -3.686
11 HA LEU 2 HA LEU 2 3.208 3.244 -3.153
12 HB2 LEU 2 HB1 LEU 2 1.484 3.834 -5.627
13 HB3 LEU 2 HB2 LEU 2 3.021 4.675 -5.256
14 HG LEU 2 HG LEU 2 3.493 3.108 -6.922
15 HD11 LEU 2 HD11 LEU 2 5.224 3.248 -5.103
16 HD12 LEU 2 HD12 LEU 2 5.221 1.652 -5.951
17 HD13 LEU 2 HD13 LEU 2 4.489 1.793 -4.318
18 HD21 LEU 2 HD21 LEU 2 3.058 0.721 -6.932
19 HD22 LEU 2 HD22 LEU 2 1.506 1.595 -6.665
20 HD23 LEU 2 HD23 LEU 2 2.346 0.779 -5.286
21 HA PRO 3 HA PRO 3 0.943 6.260 -0.927
22 HB2 PRO 3 HB1 PRO 3 2.892 8.200 -0.311
23 HB3 PRO 3 HB2 PRO 3 2.844 6.555 0.417
24 HG2 PRO 3 HG1 PRO 3 4.487 7.443 -2.020
25 HG3 PRO 3 HG2 PRO 3 5.060 6.562 -0.544
26 HD2 PRO 3 HD1 PRO 3 4.418 5.184 -2.831
27 HD3 PRO 3 HD2 PRO 3 3.894 4.534 -1.215
28 H ILE 4 HN ILE 4 2.672 7.451 -3.720
29 HA ILE 4 HA ILE 4 1.586 9.855 -4.307
30 HB ILE 4 HB ILE 4 1.929 7.634 -6.341
31 HG12 ILE 4 HG11 ILE 4 3.984 7.629 -5.042
32 HG13 ILE 4 HG12 ILE 4 4.251 8.417 -6.615
33 HG21 ILE 4 HG21 ILE 4 2.511 9.602 -7.833
34 HG22 ILE 4 HG22 ILE 4 0.819 9.685 -7.237
35 HG23 ILE 4 HG23 ILE 4 2.090 10.722 -6.490
36 HD11 ILE 4 HD1 ILE 4 5.449 9.648 -4.833
37 HD12 ILE 4 HD2 ILE 4 4.160 10.695 -5.505
38 HD13 ILE 4 HD3 ILE 4 3.928 9.900 -3.913
39 H LEU 5 HN LEU 5 0.041 6.798 -5.463
40 HA LEU 5 HA LEU 5 -2.246 8.152 -6.363
41 HB2 LEU 5 HB1 LEU 5 -3.175 5.969 -6.905
42 HB3 LEU 5 HB2 LEU 5 -1.478 6.136 -7.411
43 HG LEU 5 HG LEU 5 -0.958 4.905 -5.088
44 HD11 LEU 5 HD11 LEU 5 -3.341 4.771 -4.264
45 HD12 LEU 5 HD12 LEU 5 -2.658 3.140 -4.583
46 HD13 LEU 5 HD13 LEU 5 -3.795 3.884 -5.763
47 HD21 LEU 5 HD21 LEU 5 -0.964 2.747 -6.330
48 HD22 LEU 5 HD22 LEU 5 -0.355 4.091 -7.367
49 HD23 LEU 5 HD23 LEU 5 -2.030 3.467 -7.591
50 H ALA 6 HN ALA 6 -1.552 6.785 -3.157
51 HA ALA 6 HA ALA 6 -4.198 6.835 -2.197
52 HB1 ALA 6 HB1 ALA 6 -2.273 5.723 -1.021
53 HB2 ALA 6 HB2 ALA 6 -1.553 7.342 -0.701
54 HB3 ALA 6 HB3 ALA 6 -3.126 6.888 0.054
55 H SER 7 HN SER 7 -1.728 9.405 -2.362
56 HA SER 7 HA SER 7 -3.238 11.434 -1.107
57 HB2 SER 7 HB1 SER 7 -1.068 11.743 -3.273
58 HB3 SER 7 HB2 SER 7 -1.703 13.051 -2.209
59 HG SER 7 HG1 SER 7 -0.245 10.730 -1.447
60 H LEU 8 HN LEU 8 -2.997 10.478 -4.541
61 HA LEU 8 HA LEU 8 -4.732 12.426 -5.598
62 HB2 LEU 8 HB1 LEU 8 -3.063 10.946 -6.849
63 HB3 LEU 8 HB2 LEU 8 -4.174 9.572 -6.601
64 HG LEU 8 HG LEU 8 -5.957 10.913 -7.887
65 HD11 LEU 8 HD11 LEU 8 -4.964 13.215 -7.658
66 HD12 LEU 8 HD12 LEU 8 -5.136 12.738 -9.385
67 HD13 LEU 8 HD13 LEU 8 -3.518 12.676 -8.599
68 HD21 LEU 8 HD21 LEU 8 -4.974 10.360 -10.103
69 HD22 LEU 8 HD22 LEU 8 -4.648 9.053 -8.908
70 HD23 LEU 8 HD23 LEU 8 -3.342 10.213 -9.359
71 H ALA 9 HN ALA 9 -5.392 9.073 -4.471
72 HA ALA 9 HA ALA 9 -8.100 8.966 -4.960
73 HB1 ALA 9 HB1 ALA 9 -6.649 6.991 -4.392
74 HB2 ALA 9 HB2 ALA 9 -6.464 7.633 -2.727
75 HB3 ALA 9 HB3 ALA 9 -8.086 7.081 -3.308
76 H ALA 10 HN ALA 10 -6.380 10.394 -2.179
77 HA ALA 10 HA ALA 10 -8.844 10.977 -0.792
78 HB1 ALA 10 HB1 ALA 10 -6.670 10.526 0.332
79 HB2 ALA 10 HB2 ALA 10 -5.944 12.011 -0.377
80 HB3 ALA 10 HB3 ALA 10 -7.306 12.136 0.797
81 H LYS 11 HN LYS 11 -7.955 12.226 -3.626
82 HA LYS 11 HA LYS 11 -9.450 14.713 -2.970
83 HB2 LYS 11 HB1 LYS 11 -7.170 14.310 -4.989
84 HB3 LYS 11 HB2 LYS 11 -8.440 15.520 -5.292
85 HG2 LYS 11 HG1 LYS 11 -6.800 16.799 -4.359
86 HG3 LYS 11 HG2 LYS 11 -8.007 16.667 -3.118
87 HD2 LYS 11 HD1 LYS 11 -6.207 14.434 -2.559
88 HD3 LYS 11 HD2 LYS 11 -5.161 15.576 -3.219
89 HE2 LYS 11 HE1 LYS 11 -5.225 15.774 -0.763
90 HE3 LYS 11 HE2 LYS 11 -5.840 17.332 -1.449
91 HZ1 LYS 11 HZ1 LYS 11 -7.624 15.108 -0.722
92 HZ2 LYS 11 HZ2 LYS 11 -8.036 16.700 -1.034
93 HZ3 LYS 11 HZ3 LYS 11 -7.195 16.329 0.397
94 H PHE 12 HN PHE 12 -8.830 12.191 -5.500
95 HA PHE 12 HA PHE 12 -11.318 12.979 -6.797
96 HB2 PHE 12 HB1 PHE 12 -8.991 11.103 -7.534
97 HB3 PHE 12 HB2 PHE 12 -10.490 11.239 -8.544
98 HD1 PHE 12 HD1 PHE 12 -7.418 13.005 -7.425
99 HD2 PHE 12 HD2 PHE 12 -11.060 13.280 -9.694
100 HE1 PHE 12 HE1 PHE 12 -6.560 15.041 -8.563
101 HE2 PHE 12 HE2 PHE 12 -10.201 15.302 -10.833
102 HZ PHE 12 HZ PHE 12 -7.954 16.183 -10.272
103 H GLY 13 HN GLY 13 -10.633 10.799 -4.321
104 HA2 GLY 13 HA1 GLY 13 -12.911 9.081 -5.108
105 HA3 GLY 13 HA2 GLY 13 -11.560 8.653 -4.029
106 HA PRO 14 HA PRO 14 -13.985 11.260 -1.012
107 HB2 PRO 14 HB1 PRO 14 -16.207 12.806 -1.698
108 HB3 PRO 14 HB2 PRO 14 -14.515 13.407 -1.880
109 HG2 PRO 14 HG1 PRO 14 -16.251 12.100 -4.053
110 HG3 PRO 14 HG2 PRO 14 -15.351 13.667 -4.141
111 HD2 PRO 14 HD1 PRO 14 -14.252 11.339 -5.122
112 HD3 PRO 14 HD2 PRO 14 -13.224 12.550 -4.237
113 H LYS 15 HN LYS 15 -15.757 9.676 -3.526
114 HA LYS 15 HA LYS 15 -17.944 8.598 -2.161
115 HB2 LYS 15 HB1 LYS 15 -17.558 8.542 -4.630
116 HB3 LYS 15 HB2 LYS 15 -16.112 7.520 -4.395
117 HG2 LYS 15 HG1 LYS 15 -17.590 5.651 -3.547
118 HG3 LYS 15 HG2 LYS 15 -19.027 6.682 -3.841
119 HD2 LYS 15 HD1 LYS 15 -18.415 6.838 -6.269
120 HD3 LYS 15 HD2 LYS 15 -16.937 5.869 -5.964
121 HE2 LYS 15 HE1 LYS 15 -18.362 3.887 -5.308
122 HE3 LYS 15 HE2 LYS 15 -19.851 4.857 -5.649
123 HZ1 LYS 15 HZ1 LYS 15 -19.092 5.097 -7.941
124 HZ2 LYS 15 HZ2 LYS 15 -19.234 3.463 -7.520
125 HZ3 LYS 15 HZ3 LYS 15 -17.706 4.183 -7.617
126 H LEU 16 HN LEU 16 -14.550 7.354 -2.379
127 HA LEU 16 HA LEU 16 -15.101 5.097 -0.670
128 HB2 LEU 16 HB1 LEU 16 -12.469 6.408 -1.577
129 HB3 LEU 16 HB2 LEU 16 -12.589 4.856 -0.690
130 HG LEU 16 HG LEU 16 -13.746 5.379 -3.493
131 HD11 LEU 16 HD11 LEU 16 -11.856 3.957 -4.291
132 HD12 LEU 16 HD12 LEU 16 -11.217 3.851 -2.612
133 HD13 LEU 16 HD13 LEU 16 -11.250 5.439 -3.462
134 HD21 LEU 16 HD21 LEU 16 -15.019 3.589 -2.297
135 HD22 LEU 16 HD22 LEU 16 -13.471 2.780 -1.846
136 HD23 LEU 16 HD23 LEU 16 -13.969 2.867 -3.572
137 H PHE 17 HN PHE 17 -13.642 8.331 -0.320
138 HA PHE 17 HA PHE 17 -12.665 8.016 2.229
139 HB2 PHE 17 HB1 PHE 17 -12.442 9.930 0.326
140 HB3 PHE 17 HB2 PHE 17 -13.649 10.778 1.356
141 HD1 PHE 17 HD1 PHE 17 -13.034 11.126 3.840
142 HD2 PHE 17 HD2 PHE 17 -10.200 9.677 0.952
143 HE1 PHE 17 HE1 PHE 17 -11.183 11.666 5.385
144 HE2 PHE 17 HE2 PHE 17 -8.344 10.234 2.497
145 HZ PHE 17 HZ PHE 17 -8.836 11.229 4.715
146 HN2 ABA 18 HN AGL 18 -15.920 9.192 1.278
147 HA ABA 18 HA AGL 18 -16.914 9.724 3.836
148 HB3 ABA 18 HB2 AGL 18 -18.183 8.782 1.204
149 HB2 ABA 18 HB1 AGL 18 -18.007 10.457 1.750
150 HG3 ABA 18 HG AGL 18 -20.161 8.442 2.477
151 H LEU 19 HN LEU 19 -16.886 6.596 2.022
152 HA LEU 19 HA LEU 19 -18.399 5.211 3.975
153 HB2 LEU 19 HB1 LEU 19 -16.470 4.226 1.802
154 HB3 LEU 19 HB2 LEU 19 -17.550 3.151 2.747
155 HG LEU 19 HG LEU 19 -18.536 5.436 0.940
156 HD11 LEU 19 HD11 LEU 19 -18.370 2.407 0.389
157 HD12 LEU 19 HD12 LEU 19 -17.370 3.695 -0.389
158 HD13 LEU 19 HD13 LEU 19 -19.152 3.640 -0.674
159 HD21 LEU 19 HD21 LEU 19 -20.032 3.101 2.299
160 HD22 LEU 19 HD22 LEU 19 -20.749 4.261 1.123
161 HD23 LEU 19 HD23 LEU 19 -20.178 4.847 2.725
162 H VAL 20 HN VAL 20 -14.808 5.316 3.426
163 HA VAL 20 HA VAL 20 -14.315 3.544 5.566
164 HB VAL 20 HB VAL 20 -11.978 4.091 5.424
165 HG11 VAL 20 HG11 VAL 20 -13.048 2.500 3.797
166 HG12 VAL 20 HG12 VAL 20 -13.311 3.861 2.640
167 HG13 VAL 20 HG13 VAL 20 -11.639 3.366 3.083
168 HG21 VAL 20 HG21 VAL 20 -12.051 6.558 5.072
169 HG22 VAL 20 HG22 VAL 20 -11.165 5.770 3.726
170 HG23 VAL 20 HG23 VAL 20 -12.862 6.321 3.475
171 H THR 21 HN THR 21 -14.611 7.077 5.538
172 HA THR 21 HA THR 21 -13.688 7.236 8.290
173 HB THR 21 HB THR 21 -15.122 9.519 6.883
174 HG1 THR 21 HG1 THR 21 -13.554 8.909 5.443
175 HG21 THR 21 HG21 THR 21 -13.449 10.836 8.242
176 HG22 THR 21 HG22 THR 21 -12.719 9.309 8.841
177 HG23 THR 21 HG23 THR 21 -14.387 9.756 9.345
178 H LYS 22 HN LYS 22 -16.593 6.339 6.815
179 HA LYS 22 HA LYS 22 -18.633 5.971 7.460
180 HB2 LYS 22 HB1 LYS 22 -17.109 4.718 9.105
181 HB3 LYS 22 HB2 LYS 22 -17.609 5.942 10.308
182 HG2 LYS 22 HG1 LYS 22 -20.041 4.942 9.095
183 HG3 LYS 22 HG2 LYS 22 -19.003 3.502 9.306
184 HD2 LYS 22 HD1 LYS 22 -19.771 5.565 11.470
185 HD3 LYS 22 HD2 LYS 22 -20.557 3.970 11.238
186 HE2 LYS 22 HE1 LYS 22 -18.401 2.795 11.807
187 HE3 LYS 22 HE2 LYS 22 -17.587 4.392 12.043
188 HZ1 LYS 22 HZ1 LYS 22 -18.334 3.463 14.126
189 HZ2 LYS 22 HZ2 LYS 22 -19.937 3.386 13.576
190 HZ3 LYS 22 HZ3 LYS 22 -19.184 4.888 13.783
191 H LYS 23 HN LYS 23 -17.903 8.966 7.584
192 HA LYS 23 HA LYS 23 -20.325 9.791 9.054
193 HB2 LYS 23 HB1 LYS 23 -19.250 11.306 10.515
194 HB3 LYS 23 HB2 LYS 23 -18.463 9.731 10.730
195 HG2 LYS 23 HG1 LYS 23 -16.451 10.347 9.660
196 HG3 LYS 23 HG2 LYS 23 -17.151 11.715 8.781
197 HD2 LYS 23 HD1 LYS 23 -16.508 11.558 11.784
198 HD3 LYS 23 HD2 LYS 23 -15.706 12.554 10.542
199 HE2 LYS 23 HE1 LYS 23 -18.512 12.941 11.779
200 HE3 LYS 23 HE2 LYS 23 -17.101 14.060 11.831
201 HZ1 LYS 23 HZ1 LYS 23 -18.791 14.745 10.231
202 HZ2 LYS 23 HZ2 LYS 23 -18.634 13.294 9.385
203 HZ3 LYS 23 HZ3 LYS 23 -17.333 14.367 9.439
204 HN2 ABA 24 HN AGL 24 -19.656 9.963 6.148
205 HA ABA 24 HA AGL 24 -19.480 12.834 5.730
206 HB3 ABA 24 HB2 AGL 24 -18.447 11.477 4.033
207 HB2 ABA 24 HB1 AGL 24 -19.831 12.368 3.338
208 HG3 ABA 24 HG AGL 24 -21.187 10.030 3.910
Start of MODEL 5
1 H1 PHE 1 HN PHE 1 0.618 1.117 0.151
2 HA PHE 1 HA PHE 1 3.167 0.785 -0.928
3 HB2 PHE 1 HB1 PHE 1 0.971 -1.154 -1.899
4 HB3 PHE 1 HB2 PHE 1 2.417 -0.760 -2.904
5 HD1 PHE 1 HD1 PHE 1 4.593 -1.613 -2.363
6 HD2 PHE 1 HD2 PHE 1 1.267 -2.377 0.243
7 HE1 PHE 1 HE1 PHE 1 5.918 -3.340 -1.180
8 HE2 PHE 1 HE2 PHE 1 2.588 -4.105 1.426
9 HZ PHE 1 HZ PHE 1 4.916 -4.587 0.719
10 H LEU 2 HN LEU 2 3.039 1.449 -3.358
11 HA LEU 2 HA LEU 2 2.790 3.262 -4.609
12 HB2 LEU 2 HB1 LEU 2 -0.131 2.433 -4.571
13 HB3 LEU 2 HB2 LEU 2 0.681 3.433 -5.809
14 HG LEU 2 HG LEU 2 2.326 1.194 -5.790
15 HD11 LEU 2 HD11 LEU 2 0.854 -0.814 -5.886
16 HD12 LEU 2 HD12 LEU 2 -0.583 0.192 -5.484
17 HD13 LEU 2 HD13 LEU 2 0.708 -0.044 -4.256
18 HD21 LEU 2 HD21 LEU 2 1.415 2.399 -7.794
19 HD22 LEU 2 HD22 LEU 2 -0.189 1.617 -7.520
20 HD23 LEU 2 HD23 LEU 2 1.238 0.609 -7.938
21 HA PRO 3 HA PRO 3 0.950 5.734 -1.127
22 HB2 PRO 3 HB1 PRO 3 3.072 7.449 -0.378
23 HB3 PRO 3 HB2 PRO 3 2.897 5.740 0.178
24 HG2 PRO 3 HG1 PRO 3 4.520 6.756 -2.221
25 HG3 PRO 3 HG2 PRO 3 5.090 5.681 -0.874
26 HD2 PRO 3 HD1 PRO 3 4.263 4.575 -3.239
27 HD3 PRO 3 HD2 PRO 3 3.709 3.839 -1.660
28 H ILE 4 HN ILE 4 2.622 7.156 -3.848
29 HA ILE 4 HA ILE 4 1.692 9.714 -3.986
30 HB ILE 4 HB ILE 4 1.903 7.756 -6.311
31 HG12 ILE 4 HG11 ILE 4 4.005 9.606 -5.022
32 HG13 ILE 4 HG12 ILE 4 3.990 7.817 -4.906
33 HG21 ILE 4 HG21 ILE 4 2.028 10.855 -6.165
34 HG22 ILE 4 HG22 ILE 4 2.280 9.866 -7.647
35 HG23 ILE 4 HG23 ILE 4 0.672 9.902 -6.878
36 HD11 ILE 4 HD1 ILE 4 4.211 7.675 -7.436
37 HD12 ILE 4 HD2 ILE 4 4.409 9.465 -7.477
38 HD13 ILE 4 HD3 ILE 4 5.615 8.455 -6.613
39 H LEU 5 HN LEU 5 -0.104 6.912 -5.420
40 HA LEU 5 HA LEU 5 -2.242 8.612 -6.132
41 HB2 LEU 5 HB1 LEU 5 -3.347 6.659 -7.051
42 HB3 LEU 5 HB2 LEU 5 -1.635 6.765 -7.529
43 HG LEU 5 HG LEU 5 -1.155 5.036 -5.627
44 HD11 LEU 5 HD11 LEU 5 -3.351 5.001 -4.436
45 HD12 LEU 5 HD12 LEU 5 -3.052 3.421 -5.229
46 HD13 LEU 5 HD13 LEU 5 -4.194 4.592 -5.980
47 HD21 LEU 5 HD21 LEU 5 -0.981 4.567 -8.062
48 HD22 LEU 5 HD22 LEU 5 -2.759 4.274 -8.147
49 HD23 LEU 5 HD23 LEU 5 -1.712 3.166 -7.192
50 H ALA 6 HN ALA 6 -1.606 7.040 -3.100
51 HA ALA 6 HA ALA 6 -4.249 6.817 -2.181
52 HB1 ALA 6 HB1 ALA 6 -2.248 5.861 -1.005
53 HB2 ALA 6 HB2 ALA 6 -1.688 7.528 -0.622
54 HB3 ALA 6 HB3 ALA 6 -3.226 6.903 0.089
55 H SER 7 HN SER 7 -2.052 9.658 -2.250
56 HA SER 7 HA SER 7 -3.965 11.412 -1.038
57 HB2 SER 7 HB1 SER 7 -1.511 11.946 -1.178
58 HB3 SER 7 HB2 SER 7 -1.693 12.207 -2.940
59 HG SER 7 HG1 SER 7 -1.823 14.117 -1.659
60 H LEU 8 HN LEU 8 -3.290 10.523 -4.445
61 HA LEU 8 HA LEU 8 -5.024 12.383 -5.639
62 HB2 LEU 8 HB1 LEU 8 -3.154 11.010 -6.735
63 HB3 LEU 8 HB2 LEU 8 -4.243 9.595 -6.652
64 HG LEU 8 HG LEU 8 -5.919 10.925 -8.077
65 HD11 LEU 8 HD11 LEU 8 -5.016 12.825 -9.418
66 HD12 LEU 8 HD12 LEU 8 -3.479 12.781 -8.484
67 HD13 LEU 8 HD13 LEU 8 -5.023 13.247 -7.669
68 HD21 LEU 8 HD21 LEU 8 -4.694 10.479 -10.192
69 HD22 LEU 8 HD22 LEU 8 -4.451 9.140 -9.013
70 HD23 LEU 8 HD23 LEU 8 -3.142 10.353 -9.289
71 H ALA 9 HN ALA 9 -5.624 8.974 -4.623
72 HA ALA 9 HA ALA 9 -8.337 9.031 -5.531
73 HB1 ALA 9 HB1 ALA 9 -6.852 7.016 -5.714
74 HB2 ALA 9 HB2 ALA 9 -6.715 6.966 -3.922
75 HB3 ALA 9 HB3 ALA 9 -8.308 6.661 -4.715
76 H ALA 10 HN ALA 10 -7.040 10.446 -2.907
77 HA ALA 10 HA ALA 10 -9.562 10.173 -1.356
78 HB1 ALA 10 HB1 ALA 10 -6.784 11.275 -0.565
79 HB2 ALA 10 HB2 ALA 10 -8.232 11.194 0.522
80 HB3 ALA 10 HB3 ALA 10 -7.455 9.686 -0.079
81 H LYS 11 HN LYS 11 -7.520 12.327 -3.293
82 HA LYS 11 HA LYS 11 -9.106 14.677 -2.695
83 HB2 LYS 11 HB1 LYS 11 -6.588 14.151 -3.971
84 HB3 LYS 11 HB2 LYS 11 -7.640 14.692 -5.283
85 HG2 LYS 11 HG1 LYS 11 -6.560 16.656 -4.450
86 HG3 LYS 11 HG2 LYS 11 -8.271 16.728 -3.969
87 HD2 LYS 11 HD1 LYS 11 -6.988 17.552 -2.163
88 HD3 LYS 11 HD2 LYS 11 -7.629 15.992 -1.608
89 HE2 LYS 11 HE1 LYS 11 -4.773 16.287 -2.799
90 HE3 LYS 11 HE2 LYS 11 -5.122 16.693 -1.074
91 HZ1 LYS 11 HZ1 LYS 11 -5.836 14.469 -0.676
92 HZ2 LYS 11 HZ2 LYS 11 -4.322 14.398 -1.441
93 HZ3 LYS 11 HZ3 LYS 11 -5.692 14.035 -2.299
94 H PHE 12 HN PHE 12 -8.909 12.343 -5.436
95 HA PHE 12 HA PHE 12 -11.387 13.450 -6.540
96 HB2 PHE 12 HB1 PHE 12 -9.257 11.482 -7.605
97 HB3 PHE 12 HB2 PHE 12 -10.774 11.886 -8.495
98 HD1 PHE 12 HD1 PHE 12 -7.430 13.055 -7.609
99 HD2 PHE 12 HD2 PHE 12 -11.248 14.213 -9.188
100 HE1 PHE 12 HE1 PHE 12 -6.409 15.106 -8.578
101 HE2 PHE 12 HE2 PHE 12 -10.233 16.251 -10.160
102 HZ PHE 12 HZ PHE 12 -7.815 16.699 -9.855
103 H GLY 13 HN GLY 13 -10.745 11.274 -4.195
104 HA2 GLY 13 HA1 GLY 13 -12.956 9.463 -5.033
105 HA3 GLY 13 HA2 GLY 13 -11.601 9.024 -3.966
106 HA PRO 14 HA PRO 14 -14.115 11.424 -0.857
107 HB2 PRO 14 HB1 PRO 14 -16.327 13.001 -1.504
108 HB3 PRO 14 HB2 PRO 14 -14.633 13.620 -1.588
109 HG2 PRO 14 HG1 PRO 14 -16.288 12.465 -3.905
110 HG3 PRO 14 HG2 PRO 14 -15.392 14.039 -3.849
111 HD2 PRO 14 HD1 PRO 14 -14.254 11.787 -4.954
112 HD3 PRO 14 HD2 PRO 14 -13.258 12.937 -3.955
113 H LYS 15 HN LYS 15 -15.789 10.016 -3.535
114 HA LYS 15 HA LYS 15 -18.016 8.828 -2.341
115 HB2 LYS 15 HB1 LYS 15 -17.523 8.956 -4.788
116 HB3 LYS 15 HB2 LYS 15 -16.084 7.921 -4.566
117 HG2 LYS 15 HG1 LYS 15 -17.591 5.994 -3.925
118 HG3 LYS 15 HG2 LYS 15 -19.018 7.044 -4.204
119 HD2 LYS 15 HD1 LYS 15 -18.300 7.383 -6.584
120 HD3 LYS 15 HD2 LYS 15 -16.834 6.391 -6.288
121 HE2 LYS 15 HE1 LYS 15 -18.285 4.367 -5.849
122 HE3 LYS 15 HE2 LYS 15 -19.758 5.363 -6.183
123 HZ1 LYS 15 HZ1 LYS 15 -18.894 5.776 -8.412
124 HZ2 LYS 15 HZ2 LYS 15 -19.052 4.116 -8.126
125 HZ3 LYS 15 HZ3 LYS 15 -17.523 4.838 -8.095
126 H LEU 16 HN LEU 16 -14.600 7.618 -2.490
127 HA LEU 16 HA LEU 16 -15.256 5.263 -0.928
128 HB2 LEU 16 HB1 LEU 16 -12.573 6.525 -1.753
129 HB3 LEU 16 HB2 LEU 16 -12.752 4.945 -0.930
130 HG LEU 16 HG LEU 16 -13.860 5.618 -3.720
131 HD11 LEU 16 HD11 LEU 16 -11.363 5.597 -3.653
132 HD12 LEU 16 HD12 LEU 16 -12.005 4.173 -4.557
133 HD13 LEU 16 HD13 LEU 16 -11.392 3.973 -2.876
134 HD21 LEU 16 HD21 LEU 16 -15.205 3.822 -2.614
135 HD22 LEU 16 HD22 LEU 16 -13.689 2.945 -2.179
136 HD23 LEU 16 HD23 LEU 16 -14.162 3.119 -3.906
137 H PHE 17 HN PHE 17 -13.680 8.426 -0.428
138 HA PHE 17 HA PHE 17 -12.713 7.946 2.093
139 HB2 PHE 17 HB1 PHE 17 -12.285 9.887 0.333
140 HB3 PHE 17 HB2 PHE 17 -13.591 10.758 1.213
141 HD1 PHE 17 HD1 PHE 17 -13.172 11.539 3.511
142 HD2 PHE 17 HD2 PHE 17 -10.217 9.230 1.417
143 HE1 PHE 17 HE1 PHE 17 -11.488 12.133 5.229
144 HE2 PHE 17 HE2 PHE 17 -8.532 9.826 3.133
145 HZ PHE 17 HZ PHE 17 -9.168 11.279 5.041
146 HN2 ABA 18 HN AGL 18 -15.916 9.387 1.252
147 HA ABA 18 HA AGL 18 -16.763 9.812 3.897
148 HB3 ABA 18 HB2 AGL 18 -18.274 9.276 1.278
149 HB2 ABA 18 HB1 AGL 18 -17.806 10.862 1.913
150 HG3 ABA 18 HG AGL 18 -20.180 9.127 2.716
151 H LEU 19 HN LEU 19 -17.127 6.882 1.797
152 HA LEU 19 HA LEU 19 -18.729 5.501 3.674
153 HB2 LEU 19 HB1 LEU 19 -16.992 4.497 1.359
154 HB3 LEU 19 HB2 LEU 19 -18.136 3.463 2.277
155 HG LEU 19 HG LEU 19 -18.936 5.953 0.663
156 HD11 LEU 19 HD11 LEU 19 -18.086 4.135 -0.798
157 HD12 LEU 19 HD12 LEU 19 -19.871 4.331 -0.980
158 HD13 LEU 19 HD13 LEU 19 -19.208 2.957 -0.012
159 HD21 LEU 19 HD21 LEU 19 -20.556 5.509 2.506
160 HD22 LEU 19 HD22 LEU 19 -20.650 3.773 2.025
161 HD23 LEU 19 HD23 LEU 19 -21.273 5.054 0.921
162 H VAL 20 HN VAL 20 -15.147 5.343 3.134
163 HA VAL 20 HA VAL 20 -14.838 3.396 5.173
164 HB VAL 20 HB VAL 20 -13.254 3.729 3.325
165 HG11 VAL 20 HG11 VAL 20 -13.104 6.249 3.405
166 HG12 VAL 20 HG12 VAL 20 -12.212 6.133 4.973
167 HG13 VAL 20 HG13 VAL 20 -11.493 5.446 3.479
168 HG21 VAL 20 HG21 VAL 20 -12.059 3.833 6.176
169 HG22 VAL 20 HG22 VAL 20 -12.728 2.367 5.362
170 HG23 VAL 20 HG23 VAL 20 -11.261 3.179 4.704
171 H THR 21 HN THR 21 -14.700 6.962 5.308
172 HA THR 21 HA THR 21 -13.851 6.980 8.047
173 HB THR 21 HB THR 21 -15.132 9.320 6.566
174 HG1 THR 21 HG1 THR 21 -13.469 8.736 5.315
175 HG21 THR 21 HG21 THR 21 -13.546 10.618 8.058
176 HG22 THR 21 HG22 THR 21 -13.006 9.082 8.818
177 HG23 THR 21 HG23 THR 21 -14.699 9.658 9.059
178 H LYS 22 HN LYS 22 -16.918 6.627 6.517
179 HA LYS 22 HA LYS 22 -19.005 6.533 7.131
180 HB2 LYS 22 HB1 LYS 22 -17.869 5.860 9.869
181 HB3 LYS 22 HB2 LYS 22 -19.528 5.465 9.333
182 HG2 LYS 22 HG1 LYS 22 -18.831 3.801 7.810
183 HG3 LYS 22 HG2 LYS 22 -17.142 4.367 7.737
184 HD2 LYS 22 HD1 LYS 22 -18.388 3.238 10.300
185 HD3 LYS 22 HD2 LYS 22 -17.537 2.232 9.074
186 HE2 LYS 22 HE1 LYS 22 -15.432 3.517 9.363
187 HE3 LYS 22 HE2 LYS 22 -16.227 4.643 10.529
188 HZ1 LYS 22 HZ1 LYS 22 -14.967 2.938 11.638
189 HZ2 LYS 22 HZ2 LYS 22 -15.879 1.710 10.900
190 HZ3 LYS 22 HZ3 LYS 22 -16.619 2.779 11.993
191 H LYS 23 HN LYS 23 -17.712 9.292 7.739
192 HA LYS 23 HA LYS 23 -20.058 10.265 9.228
193 HB2 LYS 23 HB1 LYS 23 -18.906 11.424 10.895
194 HB3 LYS 23 HB2 LYS 23 -18.229 9.779 10.890
195 HG2 LYS 23 HG1 LYS 23 -16.121 10.580 10.608
196 HG3 LYS 23 HG2 LYS 23 -16.596 11.497 9.143
197 HD2 LYS 23 HD1 LYS 23 -17.634 13.257 10.679
198 HD3 LYS 23 HD2 LYS 23 -16.897 12.405 12.075
199 HE2 LYS 23 HE1 LYS 23 -14.594 12.862 11.112
200 HE3 LYS 23 HE2 LYS 23 -15.367 13.678 9.691
201 HZ1 LYS 23 HZ1 LYS 23 -14.701 15.279 11.357
202 HZ2 LYS 23 HZ2 LYS 23 -15.623 14.497 12.546
203 HZ3 LYS 23 HZ3 LYS 23 -16.394 15.235 11.235
204 HN2 ABA 24 HN AGL 24 -19.341 10.481 6.385
205 HA ABA 24 HA AGL 24 -18.685 13.275 6.030
206 HB3 ABA 24 HB2 AGL 24 -17.944 11.808 4.286
207 HB2 ABA 24 HB1 AGL 24 -19.180 12.916 3.627
208 HG3 ABA 24 HG AGL 24 -20.860 10.788 4.269
Start of MODEL 6
1 H1 PHE 1 HN PHE 1 0.530 -1.761 -3.799
2 HA PHE 1 HA PHE 1 -0.785 0.465 -2.984
3 HB2 PHE 1 HB1 PHE 1 -0.314 -1.772 -1.700
4 HB3 PHE 1 HB2 PHE 1 1.194 -0.983 -1.115
5 HD1 PHE 1 HD1 PHE 1 1.040 0.578 0.698
6 HD2 PHE 1 HD2 PHE 1 -2.543 -0.665 -1.314
7 HE1 PHE 1 HE1 PHE 1 -0.326 1.655 2.466
8 HE2 PHE 1 HE2 PHE 1 -3.911 0.419 0.443
9 HZ PHE 1 HZ PHE 1 -2.804 1.576 2.338
10 H LEU 2 HN LEU 2 0.546 1.861 -4.582
11 HA LEU 2 HA LEU 2 3.021 2.849 -3.509
12 HB2 LEU 2 HB1 LEU 2 1.427 3.565 -6.014
13 HB3 LEU 2 HB2 LEU 2 2.902 4.450 -5.516
14 HG LEU 2 HG LEU 2 4.179 2.251 -5.558
15 HD11 LEU 2 HD11 LEU 2 3.291 0.464 -7.110
16 HD12 LEU 2 HD12 LEU 2 1.680 1.258 -7.079
17 HD13 LEU 2 HD13 LEU 2 2.379 0.549 -5.572
18 HD21 LEU 2 HD21 LEU 2 2.942 3.269 -8.193
19 HD22 LEU 2 HD22 LEU 2 4.479 2.352 -8.031
20 HD23 LEU 2 HD23 LEU 2 4.344 4.011 -7.331
21 HA PRO 3 HA PRO 3 0.837 5.802 -1.113
22 HB2 PRO 3 HB1 PRO 3 2.861 7.625 -0.347
23 HB3 PRO 3 HB2 PRO 3 2.704 5.944 0.285
24 HG2 PRO 3 HG1 PRO 3 4.452 6.886 -2.059
25 HG3 PRO 3 HG2 PRO 3 4.951 5.893 -0.630
26 HD2 PRO 3 HD1 PRO 3 4.304 4.681 -3.000
27 HD3 PRO 3 HD2 PRO 3 3.683 3.969 -1.447
28 H ILE 4 HN ILE 4 2.597 7.117 -3.841
29 HA ILE 4 HA ILE 4 1.615 9.632 -4.179
30 HB ILE 4 HB ILE 4 1.964 7.545 -6.381
31 HG12 ILE 4 HG11 ILE 4 4.008 9.435 -5.069
32 HG13 ILE 4 HG12 ILE 4 3.986 7.648 -4.893
33 HG21 ILE 4 HG21 ILE 4 0.765 9.675 -7.088
34 HG22 ILE 4 HG22 ILE 4 2.098 10.643 -6.362
35 HG23 ILE 4 HG23 ILE 4 2.401 9.585 -7.790
36 HD11 ILE 4 HD1 ILE 4 4.529 9.215 -7.493
37 HD12 ILE 4 HD2 ILE 4 5.685 8.234 -6.545
38 HD13 ILE 4 HD3 ILE 4 4.317 7.430 -7.411
39 H LEU 5 HN LEU 5 -0.013 6.721 -5.593
40 HA LEU 5 HA LEU 5 -2.272 8.191 -6.368
41 HB2 LEU 5 HB1 LEU 5 -3.277 6.113 -7.055
42 HB3 LEU 5 HB2 LEU 5 -1.560 6.189 -7.521
43 HG LEU 5 HG LEU 5 -1.220 4.820 -5.218
44 HD11 LEU 5 HD11 LEU 5 -4.045 3.969 -6.142
45 HD12 LEU 5 HD12 LEU 5 -3.666 4.771 -4.574
46 HD13 LEU 5 HD13 LEU 5 -3.028 3.123 -4.921
47 HD21 LEU 5 HD21 LEU 5 -2.181 3.579 -7.869
48 HD22 LEU 5 HD22 LEU 5 -1.240 2.737 -6.586
49 HD23 LEU 5 HD23 LEU 5 -0.497 4.105 -7.495
50 H ALA 6 HN ALA 6 -1.623 6.500 -3.279
51 HA ALA 6 HA ALA 6 -4.243 6.639 -2.274
52 HB1 ALA 6 HB1 ALA 6 -2.383 5.307 -1.245
53 HB2 ALA 6 HB2 ALA 6 -1.559 6.841 -0.782
54 HB3 ALA 6 HB3 ALA 6 -3.148 6.407 -0.047
55 H SER 7 HN SER 7 -1.628 9.085 -2.204
56 HA SER 7 HA SER 7 -3.097 11.057 -0.798
57 HB2 SER 7 HB1 SER 7 -0.622 11.164 -1.178
58 HB3 SER 7 HB2 SER 7 -0.915 11.504 -2.913
59 HG SER 7 HG1 SER 7 -0.545 13.357 -1.543
60 H LEU 8 HN LEU 8 -2.910 10.372 -4.322
61 HA LEU 8 HA LEU 8 -4.544 12.518 -5.156
62 HB2 LEU 8 HB1 LEU 8 -2.954 11.099 -6.567
63 HB3 LEU 8 HB2 LEU 8 -4.122 9.757 -6.439
64 HG LEU 8 HG LEU 8 -5.858 11.253 -7.589
65 HD11 LEU 8 HD11 LEU 8 -3.388 13.038 -8.104
66 HD12 LEU 8 HD12 LEU 8 -4.844 13.503 -7.136
67 HD13 LEU 8 HD13 LEU 8 -4.993 13.196 -8.902
68 HD21 LEU 8 HD21 LEU 8 -4.896 10.911 -9.847
69 HD22 LEU 8 HD22 LEU 8 -4.588 9.483 -8.798
70 HD23 LEU 8 HD23 LEU 8 -3.260 10.660 -9.135
71 H ALA 9 HN ALA 9 -5.350 9.117 -4.372
72 HA ALA 9 HA ALA 9 -7.994 9.063 -5.053
73 HB1 ALA 9 HB1 ALA 9 -8.087 7.039 -3.578
74 HB2 ALA 9 HB2 ALA 9 -6.573 7.066 -4.547
75 HB3 ALA 9 HB3 ALA 9 -6.526 7.547 -2.815
76 H ALA 10 HN ALA 10 -6.614 10.263 -1.989
77 HA ALA 10 HA ALA 10 -9.022 10.541 -0.604
78 HB1 ALA 10 HB1 ALA 10 -6.500 12.317 -0.533
79 HB2 ALA 10 HB2 ALA 10 -7.779 12.240 0.747
80 HB3 ALA 10 HB3 ALA 10 -6.747 10.801 0.402
81 H LYS 11 HN LYS 11 -7.698 12.663 -3.171
82 HA LYS 11 HA LYS 11 -9.748 14.680 -2.679
83 HB2 LYS 11 HB1 LYS 11 -7.613 14.521 -4.896
84 HB3 LYS 11 HB2 LYS 11 -8.789 15.840 -4.652
85 HG2 LYS 11 HG1 LYS 11 -6.940 16.784 -3.678
86 HG3 LYS 11 HG2 LYS 11 -7.766 16.100 -2.251
87 HD2 LYS 11 HD1 LYS 11 -6.243 14.038 -2.503
88 HD3 LYS 11 HD2 LYS 11 -5.392 14.892 -3.826
89 HE2 LYS 11 HE1 LYS 11 -4.670 16.681 -2.170
90 HE3 LYS 11 HE2 LYS 11 -5.589 15.818 -0.872
91 HZ1 LYS 11 HZ1 LYS 11 -3.117 14.975 -2.276
92 HZ2 LYS 11 HZ2 LYS 11 -4.164 13.817 -1.713
93 HZ3 LYS 11 HZ3 LYS 11 -3.490 14.918 -0.623
94 H PHE 12 HN PHE 12 -8.918 12.253 -5.211
95 HA PHE 12 HA PHE 12 -11.287 13.070 -6.713
96 HB2 PHE 12 HB1 PHE 12 -8.885 11.235 -7.297
97 HB3 PHE 12 HB2 PHE 12 -10.301 11.349 -8.410
98 HD1 PHE 12 HD1 PHE 12 -7.395 13.199 -7.044
99 HD2 PHE 12 HD2 PHE 12 -10.842 13.369 -9.597
100 HE1 PHE 12 HE1 PHE 12 -6.530 15.285 -8.078
101 HE2 PHE 12 HE2 PHE 12 -9.976 15.441 -10.635
102 HZ PHE 12 HZ PHE 12 -7.822 16.402 -9.878
103 H GLY 13 HN GLY 13 -10.800 10.848 -4.246
104 HA2 GLY 13 HA1 GLY 13 -13.120 9.252 -5.182
105 HA3 GLY 13 HA2 GLY 13 -11.773 8.661 -4.157
106 HA PRO 14 HA PRO 14 -13.995 11.341 -1.016
107 HB2 PRO 14 HB1 PRO 14 -16.215 12.923 -1.637
108 HB3 PRO 14 HB2 PRO 14 -14.519 13.489 -1.890
109 HG2 PRO 14 HG1 PRO 14 -16.349 12.198 -3.996
110 HG3 PRO 14 HG2 PRO 14 -15.421 13.751 -4.111
111 HD2 PRO 14 HD1 PRO 14 -14.368 11.416 -5.121
112 HD3 PRO 14 HD2 PRO 14 -13.321 12.611 -4.242
113 H LYS 15 HN LYS 15 -15.851 9.784 -3.458
114 HA LYS 15 HA LYS 15 -18.027 8.715 -2.080
115 HB2 LYS 15 HB1 LYS 15 -17.626 8.641 -4.547
116 HB3 LYS 15 HB2 LYS 15 -16.180 7.626 -4.296
117 HG2 LYS 15 HG1 LYS 15 -17.656 5.749 -3.469
118 HG3 LYS 15 HG2 LYS 15 -19.096 6.773 -3.775
119 HD2 LYS 15 HD1 LYS 15 -18.451 6.954 -6.193
120 HD3 LYS 15 HD2 LYS 15 -16.976 5.983 -5.878
121 HE2 LYS 15 HE1 LYS 15 -18.410 3.992 -5.265
122 HE3 LYS 15 HE2 LYS 15 -19.893 4.967 -5.614
123 HZ1 LYS 15 HZ1 LYS 15 -19.101 5.237 -7.892
124 HZ2 LYS 15 HZ2 LYS 15 -19.248 3.598 -7.496
125 HZ3 LYS 15 HZ3 LYS 15 -17.721 4.321 -7.561
126 H LEU 16 HN LEU 16 -14.630 7.459 -2.276
127 HA LEU 16 HA LEU 16 -15.217 5.225 -0.541
128 HB2 LEU 16 HB1 LEU 16 -12.566 6.447 -1.507
129 HB3 LEU 16 HB2 LEU 16 -12.714 4.918 -0.586
130 HG LEU 16 HG LEU 16 -13.897 5.424 -3.378
131 HD11 LEU 16 HD11 LEU 16 -12.071 3.918 -4.174
132 HD12 LEU 16 HD12 LEU 16 -11.412 3.822 -2.501
133 HD13 LEU 16 HD13 LEU 16 -11.402 5.395 -3.381
134 HD21 LEU 16 HD21 LEU 16 -13.694 2.844 -1.687
135 HD22 LEU 16 HD22 LEU 16 -14.206 2.918 -3.409
136 HD23 LEU 16 HD23 LEU 16 -15.217 3.700 -2.138
137 H PHE 17 HN PHE 17 -13.666 8.415 -0.267
138 HA PHE 17 HA PHE 17 -12.667 8.135 2.280
139 HB2 PHE 17 HB1 PHE 17 -12.272 9.919 0.342
140 HB3 PHE 17 HB2 PHE 17 -13.578 10.846 1.159
141 HD1 PHE 17 HD1 PHE 17 -12.772 12.442 2.681
142 HD2 PHE 17 HD2 PHE 17 -10.436 8.907 1.982
143 HE1 PHE 17 HE1 PHE 17 -10.966 13.343 4.129
144 HE2 PHE 17 HE2 PHE 17 -8.652 9.787 3.439
145 HZ PHE 17 HZ PHE 17 -8.919 11.998 4.538
146 HN2 ABA 18 HN AGL 18 -15.895 9.392 1.349
147 HA ABA 18 HA AGL 18 -16.825 9.978 3.967
148 HB3 ABA 18 HB2 AGL 18 -18.157 9.209 1.299
149 HB2 ABA 18 HB1 AGL 18 -17.930 10.835 1.949
150 HG3 ABA 18 HG AGL 18 -20.101 8.788 2.628
151 H LEU 19 HN LEU 19 -17.032 6.921 2.010
152 HA LEU 19 HA LEU 19 -18.613 5.633 3.983
153 HB2 LEU 19 HB1 LEU 19 -17.005 4.559 1.618
154 HB3 LEU 19 HB2 LEU 19 -18.121 3.550 2.604
155 HG LEU 19 HG LEU 19 -18.970 6.030 0.999
156 HD11 LEU 19 HD11 LEU 19 -19.296 3.030 0.357
157 HD12 LEU 19 HD12 LEU 19 -18.202 4.193 -0.489
158 HD13 LEU 19 HD13 LEU 19 -19.992 4.402 -0.586
159 HD21 LEU 19 HD21 LEU 19 -21.297 5.150 1.373
160 HD22 LEU 19 HD22 LEU 19 -20.502 5.607 2.920
161 HD23 LEU 19 HD23 LEU 19 -20.631 3.870 2.453
162 H VAL 20 HN VAL 20 -15.069 5.383 3.335
163 HA VAL 20 HA VAL 20 -14.736 3.227 5.086
164 HB VAL 20 HB VAL 20 -13.201 3.828 3.267
165 HG11 VAL 20 HG11 VAL 20 -12.056 5.958 5.196
166 HG12 VAL 20 HG12 VAL 20 -11.449 5.516 3.567
167 HG13 VAL 20 HG13 VAL 20 -13.046 6.330 3.734
168 HG21 VAL 20 HG21 VAL 20 -12.607 2.189 5.070
169 HG22 VAL 20 HG22 VAL 20 -11.160 3.082 4.475
170 HG23 VAL 20 HG23 VAL 20 -11.896 3.519 6.057
171 H THR 21 HN THR 21 -14.392 6.722 5.782
172 HA THR 21 HA THR 21 -13.847 6.087 8.593
173 HB THR 21 HB THR 21 -14.120 8.811 7.274
174 HG1 THR 21 HG1 THR 21 -11.819 7.225 7.642
175 HG21 THR 21 HG21 THR 21 -12.484 9.466 9.147
176 HG22 THR 21 HG22 THR 21 -12.638 7.809 9.828
177 HG23 THR 21 HG23 THR 21 -14.059 8.911 9.811
178 H LYS 22 HN LYS 22 -16.579 6.368 6.704
179 HA LYS 22 HA LYS 22 -18.728 6.482 7.024
180 HB2 LYS 22 HB1 LYS 22 -18.033 5.973 9.953
181 HB3 LYS 22 HB2 LYS 22 -19.623 5.666 9.205
182 HG2 LYS 22 HG1 LYS 22 -18.875 3.832 7.926
183 HG3 LYS 22 HG2 LYS 22 -17.149 4.247 8.055
184 HD2 LYS 22 HD1 LYS 22 -18.846 3.437 10.479
185 HD3 LYS 22 HD2 LYS 22 -17.920 2.270 9.469
186 HE2 LYS 22 HE1 LYS 22 -15.771 3.444 9.992
187 HE3 LYS 22 HE2 LYS 22 -16.653 4.665 10.987
188 HZ1 LYS 22 HZ1 LYS 22 -17.383 2.895 12.440
189 HZ2 LYS 22 HZ2 LYS 22 -15.693 2.934 12.339
190 HZ3 LYS 22 HZ3 LYS 22 -16.563 1.735 11.514
191 H LYS 23 HN LYS 23 -17.216 9.161 7.622
192 HA LYS 23 HA LYS 23 -19.160 10.314 9.528
193 HB2 LYS 23 HB1 LYS 23 -17.577 11.631 10.406
194 HB3 LYS 23 HB2 LYS 23 -16.607 10.208 9.954
195 HG2 LYS 23 HG1 LYS 23 -16.774 12.929 8.483
196 HG3 LYS 23 HG2 LYS 23 -15.469 12.353 9.556
197 HD2 LYS 23 HD1 LYS 23 -14.870 10.565 7.955
198 HD3 LYS 23 HD2 LYS 23 -16.243 10.997 6.886
199 HE2 LYS 23 HE1 LYS 23 -14.127 11.891 5.945
200 HE3 LYS 23 HE2 LYS 23 -15.249 13.232 6.415
201 HZ1 LYS 23 HZ1 LYS 23 -14.028 13.420 8.499
202 HZ2 LYS 23 HZ2 LYS 23 -13.020 13.685 7.160
203 HZ3 LYS 23 HZ3 LYS 23 -12.943 12.216 8.010
204 HN2 ABA 24 HN AGL 24 -19.183 10.304 6.255
205 HA ABA 24 HA AGL 24 -19.389 13.177 5.881
206 HB3 ABA 24 HB2 AGL 24 -18.412 11.911 4.062
207 HB2 ABA 24 HB1 AGL 24 -19.918 12.723 3.558
208 HG3 ABA 24 HG AGL 24 -21.123 10.371 4.067
Start of MODEL 7
1 H1 PHE 1 HN PHE 1 -1.542 0.151 -3.516
2 HA PHE 1 HA PHE 1 0.126 -0.017 -1.619
3 HB2 PHE 1 HB1 PHE 1 -0.188 -1.598 -3.827
4 HB3 PHE 1 HB2 PHE 1 1.448 -0.976 -4.227
5 HD1 PHE 1 HD1 PHE 1 3.360 -1.643 -2.817
6 HD2 PHE 1 HD2 PHE 1 -0.621 -2.913 -1.836
7 HE1 PHE 1 HE1 PHE 1 4.284 -3.315 -1.237
8 HE2 PHE 1 HE2 PHE 1 0.295 -4.580 -0.252
9 HZ PHE 1 HZ PHE 1 2.749 -4.785 0.052
10 H LEU 2 HN LEU 2 0.394 2.419 -3.803
11 HA LEU 2 HA LEU 2 3.165 3.093 -3.027
12 HB2 LEU 2 HB1 LEU 2 1.688 3.937 -5.588
13 HB3 LEU 2 HB2 LEU 2 3.304 4.514 -5.064
14 HG LEU 2 HG LEU 2 3.885 1.900 -5.032
15 HD11 LEU 2 HD11 LEU 2 2.813 0.697 -6.951
16 HD12 LEU 2 HD12 LEU 2 1.663 2.061 -7.178
17 HD13 LEU 2 HD13 LEU 2 1.599 1.065 -5.677
18 HD21 LEU 2 HD21 LEU 2 4.753 2.151 -7.357
19 HD22 LEU 2 HD22 LEU 2 5.034 3.648 -6.392
20 HD23 LEU 2 HD23 LEU 2 3.699 3.587 -7.608
21 HA PRO 3 HA PRO 3 0.932 6.095 -0.792
22 HB2 PRO 3 HB1 PRO 3 2.886 8.026 -0.118
23 HB3 PRO 3 HB2 PRO 3 2.806 6.368 0.584
24 HG2 PRO 3 HG1 PRO 3 4.499 7.283 -1.806
25 HG3 PRO 3 HG2 PRO 3 5.040 6.359 -0.342
26 HD2 PRO 3 HD1 PRO 3 4.424 5.037 -2.666
27 HD3 PRO 3 HD2 PRO 3 3.855 4.364 -1.072
28 H ILE 4 HN ILE 4 2.638 7.364 -3.558
29 HA ILE 4 HA ILE 4 1.541 9.806 -4.027
30 HB ILE 4 HB ILE 4 1.970 7.655 -6.139
31 HG12 ILE 4 HG11 ILE 4 3.935 9.673 -4.886
32 HG13 ILE 4 HG12 ILE 4 3.980 7.895 -4.655
33 HG21 ILE 4 HG21 ILE 4 0.692 9.709 -6.925
34 HG22 ILE 4 HG22 ILE 4 1.988 10.758 -6.241
35 HG23 ILE 4 HG23 ILE 4 2.333 9.663 -7.625
36 HD11 ILE 4 HD1 ILE 4 4.475 9.395 -7.302
37 HD12 ILE 4 HD2 ILE 4 5.666 8.486 -6.314
38 HD13 ILE 4 HD3 ILE 4 4.336 7.604 -7.158
39 H LEU 5 HN LEU 5 -0.001 6.770 -5.279
40 HA LEU 5 HA LEU 5 -2.261 8.161 -6.182
41 HB2 LEU 5 HB1 LEU 5 -3.188 5.998 -6.786
42 HB3 LEU 5 HB2 LEU 5 -1.471 6.137 -7.235
43 HG LEU 5 HG LEU 5 -1.087 4.896 -4.871
44 HD11 LEU 5 HD11 LEU 5 -2.811 3.131 -4.492
45 HD12 LEU 5 HD12 LEU 5 -3.866 3.872 -5.749
46 HD13 LEU 5 HD13 LEU 5 -3.520 4.762 -4.220
47 HD21 LEU 5 HD21 LEU 5 -0.319 4.102 -7.107
48 HD22 LEU 5 HD22 LEU 5 -1.972 3.471 -7.455
49 HD23 LEU 5 HD23 LEU 5 -0.995 2.750 -6.125
50 H ALA 6 HN ALA 6 -1.611 6.801 -2.979
51 HA ALA 6 HA ALA 6 -4.279 6.808 -2.060
52 HB1 ALA 6 HB1 ALA 6 -2.384 5.699 -0.851
53 HB2 ALA 6 HB2 ALA 6 -1.662 7.314 -0.514
54 HB3 ALA 6 HB3 ALA 6 -3.250 6.864 0.211
55 H SER 7 HN SER 7 -1.826 9.396 -2.201
56 HA SER 7 HA SER 7 -3.385 11.415 -0.962
57 HB2 SER 7 HB1 SER 7 -1.155 11.733 -3.062
58 HB3 SER 7 HB2 SER 7 -1.847 13.050 -2.051
59 HG SER 7 HG1 SER 7 -0.370 10.780 -1.183
60 H LEU 8 HN LEU 8 -3.060 10.442 -4.388
61 HA LEU 8 HA LEU 8 -4.784 12.383 -5.478
62 HB2 LEU 8 HB1 LEU 8 -3.091 10.888 -6.693
63 HB3 LEU 8 HB2 LEU 8 -4.220 9.524 -6.458
64 HG LEU 8 HG LEU 8 -5.964 10.863 -7.790
65 HD11 LEU 8 HD11 LEU 8 -4.965 13.163 -7.548
66 HD12 LEU 8 HD12 LEU 8 -5.109 12.681 -9.276
67 HD13 LEU 8 HD13 LEU 8 -3.506 12.616 -8.463
68 HD21 LEU 8 HD21 LEU 8 -3.321 10.153 -9.210
69 HD22 LEU 8 HD22 LEU 8 -4.939 10.302 -9.984
70 HD23 LEU 8 HD23 LEU 8 -4.639 8.996 -8.780
71 H ALA 9 HN ALA 9 -5.454 9.035 -4.340
72 HA ALA 9 HA ALA 9 -8.164 8.931 -4.864
73 HB1 ALA 9 HB1 ALA 9 -6.559 7.622 -2.584
74 HB2 ALA 9 HB2 ALA 9 -8.169 7.069 -3.187
75 HB3 ALA 9 HB3 ALA 9 -6.720 6.973 -4.253
76 H ALA 10 HN ALA 10 -6.482 10.404 -2.077
77 HA ALA 10 HA ALA 10 -8.954 11.016 -0.731
78 HB1 ALA 10 HB1 ALA 10 -6.793 10.563 0.460
79 HB2 ALA 10 HB2 ALA 10 -6.079 12.024 -0.300
80 HB3 ALA 10 HB3 ALA 10 -7.450 12.187 0.874
81 H LYS 11 HN LYS 11 -8.053 12.228 -3.596
82 HA LYS 11 HA LYS 11 -9.536 14.727 -2.996
83 HB2 LYS 11 HB1 LYS 11 -7.261 14.264 -5.013
84 HB3 LYS 11 HB2 LYS 11 -8.542 15.465 -5.338
85 HG2 LYS 11 HG1 LYS 11 -6.817 16.751 -4.445
86 HG3 LYS 11 HG2 LYS 11 -8.047 16.605 -3.164
87 HD2 LYS 11 HD1 LYS 11 -6.323 14.437 -2.591
88 HD3 LYS 11 HD2 LYS 11 -5.194 15.562 -3.356
89 HE2 LYS 11 HE1 LYS 11 -5.189 15.790 -0.873
90 HE3 LYS 11 HE2 LYS 11 -5.787 17.326 -1.625
91 HZ1 LYS 11 HZ1 LYS 11 -7.618 15.158 -0.740
92 HZ2 LYS 11 HZ2 LYS 11 -7.994 16.743 -1.111
93 HZ3 LYS 11 HZ3 LYS 11 -7.118 16.392 0.308
94 H PHE 12 HN PHE 12 -8.873 12.171 -5.488
95 HA PHE 12 HA PHE 12 -11.370 12.928 -6.789
96 HB2 PHE 12 HB1 PHE 12 -9.022 11.086 -7.550
97 HB3 PHE 12 HB2 PHE 12 -10.501 11.274 -8.568
98 HD1 PHE 12 HD1 PHE 12 -7.411 12.921 -7.419
99 HD2 PHE 12 HD2 PHE 12 -11.091 13.415 -9.575
100 HE1 PHE 12 HE1 PHE 12 -6.529 15.000 -8.451
101 HE2 PHE 12 HE2 PHE 12 -10.211 15.485 -10.608
102 HZ PHE 12 HZ PHE 12 -7.932 16.280 -10.048
103 H GLY 13 HN GLY 13 -10.671 10.736 -4.329
104 HA2 GLY 13 HA1 GLY 13 -12.897 8.970 -5.173
105 HA3 GLY 13 HA2 GLY 13 -11.561 8.575 -4.053
106 HA PRO 14 HA PRO 14 -14.019 11.185 -1.095
107 HB2 PRO 14 HB1 PRO 14 -16.252 12.715 -1.794
108 HB3 PRO 14 HB2 PRO 14 -14.562 13.317 -1.987
109 HG2 PRO 14 HG1 PRO 14 -16.295 11.978 -4.142
110 HG3 PRO 14 HG2 PRO 14 -15.397 13.548 -4.247
111 HD2 PRO 14 HD1 PRO 14 -14.282 11.219 -5.203
112 HD3 PRO 14 HD2 PRO 14 -13.268 12.440 -4.316
113 H LYS 15 HN LYS 15 -15.813 9.566 -3.577
114 HA LYS 15 HA LYS 15 -18.011 8.556 -2.170
115 HB2 LYS 15 HB1 LYS 15 -17.570 8.447 -4.662
116 HB3 LYS 15 HB2 LYS 15 -16.241 7.287 -4.358
117 HG2 LYS 15 HG1 LYS 15 -18.010 5.699 -3.340
118 HG3 LYS 15 HG2 LYS 15 -19.262 6.816 -3.947
119 HD2 LYS 15 HD1 LYS 15 -17.108 5.349 -5.614
120 HD3 LYS 15 HD2 LYS 15 -18.815 4.834 -5.432
121 HE2 LYS 15 HE1 LYS 15 -19.594 6.921 -6.609
122 HE3 LYS 15 HE2 LYS 15 -17.878 7.455 -6.807
123 HZ1 LYS 15 HZ1 LYS 15 -18.712 6.366 -8.782
124 HZ2 LYS 15 HZ2 LYS 15 -19.064 4.953 -7.923
125 HZ3 LYS 15 HZ3 LYS 15 -17.460 5.458 -8.103
126 H LEU 16 HN LEU 16 -14.659 7.196 -2.443
127 HA LEU 16 HA LEU 16 -15.237 4.989 -0.687
128 HB2 LEU 16 HB1 LEU 16 -12.589 6.209 -1.674
129 HB3 LEU 16 HB2 LEU 16 -12.731 4.674 -0.762
130 HG LEU 16 HG LEU 16 -13.947 5.190 -3.541
131 HD11 LEU 16 HD11 LEU 16 -12.122 3.697 -4.363
132 HD12 LEU 16 HD12 LEU 16 -11.442 3.599 -2.700
133 HD13 LEU 16 HD13 LEU 16 -11.448 5.174 -3.576
134 HD21 LEU 16 HD21 LEU 16 -14.246 2.685 -3.575
135 HD22 LEU 16 HD22 LEU 16 -15.241 3.456 -2.287
136 HD23 LEU 16 HD23 LEU 16 -13.707 2.608 -1.862
137 H PHE 17 HN PHE 17 -13.677 8.175 -0.404
138 HA PHE 17 HA PHE 17 -12.641 7.880 2.130
139 HB2 PHE 17 HB1 PHE 17 -12.279 9.704 0.259
140 HB3 PHE 17 HB2 PHE 17 -13.662 10.567 1.015
141 HD1 PHE 17 HD1 PHE 17 -13.389 11.541 3.271
142 HD2 PHE 17 HD2 PHE 17 -10.181 9.375 1.406
143 HE1 PHE 17 HE1 PHE 17 -11.801 12.447 4.946
144 HE2 PHE 17 HE2 PHE 17 -8.594 10.284 3.077
145 HZ PHE 17 HZ PHE 17 -9.404 11.819 4.849
146 HN2 ABA 18 HN AGL 18 -15.895 9.203 1.240
147 HA ABA 18 HA AGL 18 -16.715 9.687 3.886
148 HB3 ABA 18 HB2 AGL 18 -18.293 9.045 1.331
149 HB2 ABA 18 HB1 AGL 18 -17.827 10.659 1.894
150 HG3 ABA 18 HG AGL 18 -20.144 8.926 2.845
151 H LEU 19 HN LEU 19 -17.091 6.695 1.864
152 HA LEU 19 HA LEU 19 -18.654 5.366 3.791
153 HB2 LEU 19 HB1 LEU 19 -16.931 4.323 1.488
154 HB3 LEU 19 HB2 LEU 19 -18.028 3.281 2.453
155 HG LEU 19 HG LEU 19 -18.951 5.720 0.830
156 HD11 LEU 19 HD11 LEU 19 -19.096 2.714 0.156
157 HD12 LEU 19 HD12 LEU 19 -18.043 3.941 -0.649
158 HD13 LEU 19 HD13 LEU 19 -19.838 4.054 -0.798
159 HD21 LEU 19 HD21 LEU 19 -20.514 5.201 2.702
160 HD22 LEU 19 HD22 LEU 19 -20.538 3.463 2.217
161 HD23 LEU 19 HD23 LEU 19 -21.238 4.716 1.129
162 H VAL 20 HN VAL 20 -15.059 5.170 3.276
163 HA VAL 20 HA VAL 20 -14.798 3.279 5.374
164 HB VAL 20 HB VAL 20 -13.154 3.548 3.585
165 HG11 VAL 20 HG11 VAL 20 -11.427 5.289 3.677
166 HG12 VAL 20 HG12 VAL 20 -13.035 6.086 3.544
167 HG13 VAL 20 HG13 VAL 20 -12.164 6.043 5.127
168 HG21 VAL 20 HG21 VAL 20 -12.669 2.309 5.714
169 HG22 VAL 20 HG22 VAL 20 -11.196 3.098 5.045
170 HG23 VAL 20 HG23 VAL 20 -12.034 3.826 6.458
171 H THR 21 HN THR 21 -14.514 6.845 5.397
172 HA THR 21 HA THR 21 -13.802 7.022 8.112
173 HB THR 21 HB THR 21 -15.257 9.260 6.662
174 HG1 THR 21 HG1 THR 21 -13.576 8.787 5.354
175 HG21 THR 21 HG21 THR 21 -12.976 9.160 8.769
176 HG22 THR 21 HG22 THR 21 -14.692 9.420 9.219
177 HG23 THR 21 HG23 THR 21 -13.825 10.629 8.187
178 H LYS 22 HN LYS 22 -16.980 6.930 6.533
179 HA LYS 22 HA LYS 22 -19.050 6.885 7.158
180 HB2 LYS 22 HB1 LYS 22 -18.141 6.041 9.938
181 HB3 LYS 22 HB2 LYS 22 -19.745 5.743 9.221
182 HG2 LYS 22 HG1 LYS 22 -18.942 4.090 7.704
183 HG3 LYS 22 HG2 LYS 22 -17.248 4.578 7.839
184 HD2 LYS 22 HD1 LYS 22 -18.888 3.112 9.979
185 HD3 LYS 22 HD2 LYS 22 -17.575 2.463 8.959
186 HE2 LYS 22 HE1 LYS 22 -17.363 4.394 11.345
187 HE3 LYS 22 HE2 LYS 22 -16.574 2.791 11.103
188 HZ1 LYS 22 HZ1 LYS 22 -15.424 4.018 9.123
189 HZ2 LYS 22 HZ2 LYS 22 -14.908 4.346 10.705
190 HZ3 LYS 22 HZ3 LYS 22 -15.932 5.409 9.889
191 H LYS 23 HN LYS 23 -17.344 9.342 7.886
192 HA LYS 23 HA LYS 23 -19.256 10.652 9.746
193 HB2 LYS 23 HB1 LYS 23 -17.161 10.263 10.811
194 HB3 LYS 23 HB2 LYS 23 -16.227 10.768 9.379
195 HG2 LYS 23 HG1 LYS 23 -17.951 12.873 10.691
196 HG3 LYS 23 HG2 LYS 23 -16.519 12.297 11.607
197 HD2 LYS 23 HD1 LYS 23 -14.951 13.009 9.956
198 HD3 LYS 23 HD2 LYS 23 -16.175 13.002 8.663
199 HE2 LYS 23 HE1 LYS 23 -15.514 15.325 9.182
200 HE3 LYS 23 HE2 LYS 23 -17.269 15.032 9.497
201 HZ1 LYS 23 HZ1 LYS 23 -15.112 15.014 11.559
202 HZ2 LYS 23 HZ2 LYS 23 -16.768 14.769 11.823
203 HZ3 LYS 23 HZ3 LYS 23 -16.214 16.275 11.277
204 HN2 ABA 24 HN AGL 24 -18.936 10.472 6.507
205 HA ABA 24 HA AGL 24 -18.542 13.253 5.897
206 HB3 ABA 24 HB2 AGL 24 -17.854 11.648 4.251
207 HB2 ABA 24 HB1 AGL 24 -19.117 12.718 3.592
208 HG3 ABA 24 HG AGL 24 -20.768 10.616 4.399
Start of MODEL 8
1 H1 PHE 1 HN PHE 1 2.255 -1.395 -2.224
2 HA PHE 1 HA PHE 1 0.553 -0.536 -4.227
3 HB2 PHE 1 HB1 PHE 1 -1.008 0.988 -2.934
4 HB3 PHE 1 HB2 PHE 1 -1.293 -0.759 -2.639
5 HD1 PHE 1 HD1 PHE 1 -0.729 -1.798 -0.523
6 HD2 PHE 1 HD2 PHE 1 -0.065 2.398 -1.142
7 HE1 PHE 1 HE1 PHE 1 -0.469 -1.483 1.920
8 HE2 PHE 1 HE2 PHE 1 0.204 2.715 1.303
9 HZ PHE 1 HZ PHE 1 0.007 0.772 2.834
10 H LEU 2 HN LEU 2 0.454 2.120 -4.070
11 HA LEU 2 HA LEU 2 3.231 2.887 -3.462
12 HB2 LEU 2 HB1 LEU 2 1.531 3.852 -5.829
13 HB3 LEU 2 HB2 LEU 2 3.169 4.429 -5.379
14 HG LEU 2 HG LEU 2 3.764 1.802 -5.599
15 HD11 LEU 2 HD11 LEU 2 1.480 2.193 -7.648
16 HD12 LEU 2 HD12 LEU 2 1.442 1.054 -6.249
17 HD13 LEU 2 HD13 LEU 2 2.620 0.805 -7.583
18 HD21 LEU 2 HD21 LEU 2 3.490 3.749 -7.976
19 HD22 LEU 2 HD22 LEU 2 4.548 2.297 -7.913
20 HD23 LEU 2 HD23 LEU 2 4.870 3.686 -6.810
21 HA PRO 3 HA PRO 3 1.030 5.726 -0.946
22 HB2 PRO 3 HB1 PRO 3 3.002 7.577 -0.193
23 HB3 PRO 3 HB2 PRO 3 2.996 5.858 0.343
24 HG2 PRO 3 HG1 PRO 3 4.526 7.038 -2.045
25 HG3 PRO 3 HG2 PRO 3 5.176 6.010 -0.699
26 HD2 PRO 3 HD1 PRO 3 4.437 4.879 -3.098
27 HD3 PRO 3 HD2 PRO 3 4.024 4.047 -1.532
28 H ILE 4 HN ILE 4 2.720 7.170 -3.665
29 HA ILE 4 HA ILE 4 1.702 9.651 -3.925
30 HB ILE 4 HB ILE 4 1.931 7.681 -6.231
31 HG12 ILE 4 HG11 ILE 4 4.016 7.486 -4.988
32 HG13 ILE 4 HG12 ILE 4 4.261 8.445 -6.469
33 HG21 ILE 4 HG21 ILE 4 2.517 9.793 -7.498
34 HG22 ILE 4 HG22 ILE 4 0.846 9.843 -6.847
35 HG23 ILE 4 HG23 ILE 4 2.158 10.763 -6.025
36 HD11 ILE 4 HD1 ILE 4 5.533 9.445 -4.598
37 HD12 ILE 4 HD2 ILE 4 4.245 10.580 -5.120
38 HD13 ILE 4 HD3 ILE 4 4.043 9.619 -3.608
39 H LEU 5 HN LEU 5 0.015 6.806 -5.365
40 HA LEU 5 HA LEU 5 -2.205 8.306 -6.174
41 HB2 LEU 5 HB1 LEU 5 -3.171 6.111 -6.825
42 HB3 LEU 5 HB2 LEU 5 -1.498 6.338 -7.376
43 HG LEU 5 HG LEU 5 -0.843 4.987 -5.178
44 HD11 LEU 5 HD11 LEU 5 -3.129 4.792 -4.162
45 HD12 LEU 5 HD12 LEU 5 -2.491 3.182 -4.637
46 HD13 LEU 5 HD13 LEU 5 -3.727 3.993 -5.665
47 HD21 LEU 5 HD21 LEU 5 -2.083 3.629 -7.649
48 HD22 LEU 5 HD22 LEU 5 -0.945 2.874 -6.477
49 HD23 LEU 5 HD23 LEU 5 -0.393 4.244 -7.509
50 H ALA 6 HN ALA 6 -1.467 7.229 -2.986
51 HA ALA 6 HA ALA 6 -4.170 6.784 -2.159
52 HB1 ALA 6 HB1 ALA 6 -1.657 7.449 -0.504
53 HB2 ALA 6 HB2 ALA 6 -3.245 6.900 0.153
54 HB3 ALA 6 HB3 ALA 6 -2.282 5.808 -0.899
55 H SER 7 HN SER 7 -1.994 9.625 -2.232
56 HA SER 7 HA SER 7 -3.922 11.407 -1.101
57 HB2 SER 7 HB1 SER 7 -1.464 11.925 -1.184
58 HB3 SER 7 HB2 SER 7 -1.609 12.179 -2.953
59 HG SER 7 HG1 SER 7 -1.779 14.095 -1.654
60 H LEU 8 HN LEU 8 -3.186 10.479 -4.502
61 HA LEU 8 HA LEU 8 -4.991 12.252 -5.712
62 HB2 LEU 8 HB1 LEU 8 -3.157 10.785 -6.797
63 HB3 LEU 8 HB2 LEU 8 -4.285 9.408 -6.630
64 HG LEU 8 HG LEU 8 -5.962 10.733 -8.057
65 HD11 LEU 8 HD11 LEU 8 -4.994 13.048 -7.745
66 HD12 LEU 8 HD12 LEU 8 -5.062 12.572 -9.477
67 HD13 LEU 8 HD13 LEU 8 -3.494 12.517 -8.600
68 HD21 LEU 8 HD21 LEU 8 -4.539 8.887 -8.961
69 HD22 LEU 8 HD22 LEU 8 -3.224 10.073 -9.314
70 HD23 LEU 8 HD23 LEU 8 -4.796 10.184 -10.184
71 H ALA 9 HN ALA 9 -5.528 8.837 -4.619
72 HA ALA 9 HA ALA 9 -8.241 8.699 -5.160
73 HB1 ALA 9 HB1 ALA 9 -6.573 7.345 -2.950
74 HB2 ALA 9 HB2 ALA 9 -8.181 6.774 -3.548
75 HB3 ALA 9 HB3 ALA 9 -6.747 6.757 -4.637
76 H ALA 10 HN ALA 10 -6.614 9.885 -2.158
77 HA ALA 10 HA ALA 10 -9.049 10.437 -0.827
78 HB1 ALA 10 HB1 ALA 10 -6.885 10.079 0.340
79 HB2 ALA 10 HB2 ALA 10 -6.219 11.570 -0.407
80 HB3 ALA 10 HB3 ALA 10 -7.586 11.677 0.778
81 H LYS 11 HN LYS 11 -7.653 12.093 -3.484
82 HA LYS 11 HA LYS 11 -9.082 14.593 -2.845
83 HB2 LYS 11 HB1 LYS 11 -6.611 14.030 -4.189
84 HB3 LYS 11 HB2 LYS 11 -7.734 14.458 -5.485
85 HG2 LYS 11 HG1 LYS 11 -6.628 16.484 -4.814
86 HG3 LYS 11 HG2 LYS 11 -8.338 16.576 -4.325
87 HD2 LYS 11 HD1 LYS 11 -7.033 17.545 -2.600
88 HD3 LYS 11 HD2 LYS 11 -7.677 16.035 -1.923
89 HE2 LYS 11 HE1 LYS 11 -4.826 16.216 -3.145
90 HE3 LYS 11 HE2 LYS 11 -5.167 16.762 -1.457
91 HZ1 LYS 11 HZ1 LYS 11 -4.391 14.463 -1.564
92 HZ2 LYS 11 HZ2 LYS 11 -5.688 14.016 -2.496
93 HZ3 LYS 11 HZ3 LYS 11 -5.969 14.562 -0.930
94 H PHE 12 HN PHE 12 -8.914 12.140 -5.510
95 HA PHE 12 HA PHE 12 -11.362 13.294 -6.620
96 HB2 PHE 12 HB1 PHE 12 -9.273 11.284 -7.673
97 HB3 PHE 12 HB2 PHE 12 -10.771 11.719 -8.581
98 HD1 PHE 12 HD1 PHE 12 -7.422 12.826 -7.651
99 HD2 PHE 12 HD2 PHE 12 -11.203 14.057 -9.267
100 HE1 PHE 12 HE1 PHE 12 -6.360 14.875 -8.585
101 HE2 PHE 12 HE2 PHE 12 -10.147 16.092 -10.200
102 HZ PHE 12 HZ PHE 12 -7.729 16.505 -9.854
103 H GLY 13 HN GLY 13 -10.757 10.848 -4.402
104 HA2 GLY 13 HA1 GLY 13 -13.186 9.368 -5.239
105 HA3 GLY 13 HA2 GLY 13 -11.828 8.757 -4.245
106 HA PRO 14 HA PRO 14 -13.961 11.402 -1.031
107 HB2 PRO 14 HB1 PRO 14 -16.200 12.993 -1.567
108 HB3 PRO 14 HB2 PRO 14 -14.510 13.562 -1.847
109 HG2 PRO 14 HG1 PRO 14 -16.391 12.300 -3.923
110 HG3 PRO 14 HG2 PRO 14 -15.473 13.857 -4.049
111 HD2 PRO 14 HD1 PRO 14 -14.453 11.540 -5.116
112 HD3 PRO 14 HD2 PRO 14 -13.367 12.711 -4.247
113 H LYS 15 HN LYS 15 -15.843 9.793 -3.418
114 HA LYS 15 HA LYS 15 -18.015 8.783 -1.988
115 HB2 LYS 15 HB1 LYS 15 -17.552 8.599 -4.475
116 HB3 LYS 15 HB2 LYS 15 -16.205 7.475 -4.121
117 HG2 LYS 15 HG1 LYS 15 -17.951 5.884 -3.074
118 HG3 LYS 15 HG2 LYS 15 -19.221 6.957 -3.724
119 HD2 LYS 15 HD1 LYS 15 -17.024 5.484 -5.330
120 HD3 LYS 15 HD2 LYS 15 -18.722 4.942 -5.146
121 HE2 LYS 15 HE1 LYS 15 -19.531 6.978 -6.392
122 HE3 LYS 15 HE2 LYS 15 -17.822 7.534 -6.596
123 HZ1 LYS 15 HZ1 LYS 15 -18.623 6.371 -8.541
124 HZ2 LYS 15 HZ2 LYS 15 -18.961 4.980 -7.641
125 HZ3 LYS 15 HZ3 LYS 15 -17.363 5.503 -7.826
126 H LEU 16 HN LEU 16 -14.630 7.488 -2.189
127 HA LEU 16 HA LEU 16 -15.195 5.330 -0.365
128 HB2 LEU 16 HB1 LEU 16 -12.551 6.526 -1.382
129 HB3 LEU 16 HB2 LEU 16 -12.696 5.019 -0.424
130 HG LEU 16 HG LEU 16 -13.887 5.457 -3.226
131 HD11 LEU 16 HD11 LEU 16 -11.389 5.410 -3.231
132 HD12 LEU 16 HD12 LEU 16 -12.074 3.920 -3.984
133 HD13 LEU 16 HD13 LEU 16 -11.414 3.860 -2.311
134 HD21 LEU 16 HD21 LEU 16 -13.701 2.922 -1.470
135 HD22 LEU 16 HD22 LEU 16 -14.213 2.956 -3.193
136 HD23 LEU 16 HD23 LEU 16 -15.219 3.775 -1.943
137 H PHE 17 HN PHE 17 -13.673 8.546 -0.161
138 HA PHE 17 HA PHE 17 -12.683 8.293 2.412
139 HB2 PHE 17 HB1 PHE 17 -12.136 10.036 0.553
140 HB3 PHE 17 HB2 PHE 17 -13.589 10.938 1.107
141 HD1 PHE 17 HD1 PHE 17 -13.022 12.728 2.497
142 HD2 PHE 17 HD2 PHE 17 -10.582 9.194 2.647
143 HE1 PHE 17 HE1 PHE 17 -11.523 13.828 4.136
144 HE2 PHE 17 HE2 PHE 17 -9.102 10.282 4.296
145 HZ PHE 17 HZ PHE 17 -9.561 12.603 5.039
146 HN2 ABA 18 HN AGL 18 -15.907 9.520 1.411
147 HA ABA 18 HA AGL 18 -16.868 10.116 4.000
148 HB3 ABA 18 HB2 AGL 18 -18.122 9.299 1.327
149 HB2 ABA 18 HB1 AGL 18 -17.998 10.933 2.001
150 HG3 ABA 18 HG AGL 18 -20.054 8.745 2.619
151 H LEU 19 HN LEU 19 -17.153 7.043 2.071
152 HA LEU 19 HA LEU 19 -18.637 5.751 4.070
153 HB2 LEU 19 HB1 LEU 19 -17.027 4.662 1.703
154 HB3 LEU 19 HB2 LEU 19 -18.141 3.663 2.695
155 HG LEU 19 HG LEU 19 -19.000 6.143 1.095
156 HD11 LEU 19 HD11 LEU 19 -19.998 4.519 -0.509
157 HD12 LEU 19 HD12 LEU 19 -19.290 3.147 0.425
158 HD13 LEU 19 HD13 LEU 19 -18.207 4.329 -0.405
159 HD21 LEU 19 HD21 LEU 19 -20.649 3.956 2.523
160 HD22 LEU 19 HD22 LEU 19 -21.320 5.245 1.459
161 HD23 LEU 19 HD23 LEU 19 -20.531 5.687 3.013
162 H VAL 20 HN VAL 20 -15.090 5.489 3.395
163 HA VAL 20 HA VAL 20 -14.772 3.366 5.185
164 HB VAL 20 HB VAL 20 -13.262 3.926 3.319
165 HG11 VAL 20 HG11 VAL 20 -11.427 5.518 3.638
166 HG12 VAL 20 HG12 VAL 20 -12.983 6.407 3.839
167 HG13 VAL 20 HG13 VAL 20 -11.998 5.951 5.286
168 HG21 VAL 20 HG21 VAL 20 -11.248 3.056 4.497
169 HG22 VAL 20 HG22 VAL 20 -11.962 3.484 6.092
170 HG23 VAL 20 HG23 VAL 20 -12.735 2.220 5.069
171 H THR 21 HN THR 21 -14.493 6.879 5.850
172 HA THR 21 HA THR 21 -13.890 6.236 8.665
173 HB THR 21 HB THR 21 -14.540 9.065 7.919
174 HG1 THR 21 HG1 THR 21 -12.130 7.793 7.197
175 HG21 THR 21 HG21 THR 21 -12.420 7.696 9.711
176 HG22 THR 21 HG22 THR 21 -13.887 8.595 10.231
177 HG23 THR 21 HG23 THR 21 -12.541 9.475 9.445
178 H LYS 22 HN LYS 22 -16.655 6.235 6.822
179 HA LYS 22 HA LYS 22 -18.800 6.412 7.143
180 HB2 LYS 22 HB1 LYS 22 -18.062 6.058 10.075
181 HB3 LYS 22 HB2 LYS 22 -19.678 5.731 9.382
182 HG2 LYS 22 HG1 LYS 22 -18.904 3.867 8.083
183 HG3 LYS 22 HG2 LYS 22 -17.180 4.250 8.318
184 HD2 LYS 22 HD1 LYS 22 -19.043 3.475 10.629
185 HD3 LYS 22 HD2 LYS 22 -18.065 2.301 9.680
186 HE2 LYS 22 HE1 LYS 22 -15.944 3.452 10.344
187 HE3 LYS 22 HE2 LYS 22 -16.877 4.669 11.298
188 HZ1 LYS 22 HZ1 LYS 22 -17.713 2.882 12.675
189 HZ2 LYS 22 HZ2 LYS 22 -16.020 2.902 12.683
190 HZ3 LYS 22 HZ3 LYS 22 -16.849 1.728 11.783
191 H LYS 23 HN LYS 23 -17.351 9.073 7.382
192 HA LYS 23 HA LYS 23 -18.959 10.416 9.449
193 HB2 LYS 23 HB1 LYS 23 -17.163 11.729 9.952
194 HB3 LYS 23 HB2 LYS 23 -16.407 10.177 9.538
195 HG2 LYS 23 HG1 LYS 23 -16.390 12.856 8.058
196 HG3 LYS 23 HG2 LYS 23 -15.022 11.898 8.673
197 HD2 LYS 23 HD1 LYS 23 -15.832 10.147 6.714
198 HD3 LYS 23 HD2 LYS 23 -16.669 11.603 6.125
199 HE2 LYS 23 HE1 LYS 23 -14.587 11.494 4.920
200 HE3 LYS 23 HE2 LYS 23 -14.439 12.856 6.106
201 HZ1 LYS 23 HZ1 LYS 23 -13.302 10.104 6.400
202 HZ2 LYS 23 HZ2 LYS 23 -13.238 11.294 7.570
203 HZ3 LYS 23 HZ3 LYS 23 -12.453 11.512 6.076
204 HN2 ABA 24 HN AGL 24 -19.500 10.255 6.232
205 HA ABA 24 HA AGL 24 -19.702 13.155 5.834
206 HB3 ABA 24 HB2 AGL 24 -18.703 12.039 3.991
207 HB2 ABA 24 HB1 AGL 24 -20.287 12.712 3.511
208 HG3 ABA 24 HG AGL 24 -21.258 10.252 3.963
Start of MODEL 9
1 H1 PHE 1 HN PHE 1 -0.940 -0.348 -3.310
2 HA PHE 1 HA PHE 1 -0.495 0.807 -0.834
3 HB2 PHE 1 HB1 PHE 1 1.437 -0.806 -0.612
4 HB3 PHE 1 HB2 PHE 1 -0.080 -1.585 -1.177
5 HD1 PHE 1 HD1 PHE 1 -0.260 -2.514 -3.417
6 HD2 PHE 1 HD2 PHE 1 3.311 -0.477 -2.173
7 HE1 PHE 1 HE1 PHE 1 0.939 -3.417 -5.385
8 HE2 PHE 1 HE2 PHE 1 4.517 -1.394 -4.137
9 HZ PHE 1 HZ PHE 1 3.327 -2.860 -5.747
10 H LEU 2 HN LEU 2 0.368 2.061 -3.730
11 HA LEU 2 HA LEU 2 2.925 3.157 -2.913
12 HB2 LEU 2 HB1 LEU 2 1.285 3.681 -5.446
13 HB3 LEU 2 HB2 LEU 2 2.884 4.398 -5.073
14 HG LEU 2 HG LEU 2 3.716 1.916 -4.829
15 HD11 LEU 2 HD11 LEU 2 1.229 1.497 -6.620
16 HD12 LEU 2 HD12 LEU 2 1.546 0.697 -5.030
17 HD13 LEU 2 HD13 LEU 2 2.592 0.339 -6.439
18 HD21 LEU 2 HD21 LEU 2 4.269 1.886 -7.257
19 HD22 LEU 2 HD22 LEU 2 4.462 3.542 -6.572
20 HD23 LEU 2 HD23 LEU 2 3.014 3.135 -7.574
21 HA PRO 3 HA PRO 3 0.627 6.286 -0.846
22 HB2 PRO 3 HB1 PRO 3 2.618 8.209 -0.206
23 HB3 PRO 3 HB2 PRO 3 2.400 6.624 0.623
24 HG2 PRO 3 HG1 PRO 3 4.305 7.254 -1.696
25 HG3 PRO 3 HG2 PRO 3 4.679 6.409 -0.135
26 HD2 PRO 3 HD1 PRO 3 4.163 4.956 -2.398
27 HD3 PRO 3 HD2 PRO 3 3.416 4.436 -0.819
28 H ILE 4 HN ILE 4 2.465 7.303 -3.616
29 HA ILE 4 HA ILE 4 1.379 9.695 -4.366
30 HB ILE 4 HB ILE 4 1.867 7.321 -6.211
31 HG12 ILE 4 HG11 ILE 4 3.821 9.461 -5.165
32 HG13 ILE 4 HG12 ILE 4 3.842 7.730 -4.700
33 HG21 ILE 4 HG21 ILE 4 2.278 9.152 -7.900
34 HG22 ILE 4 HG22 ILE 4 0.622 9.286 -7.247
35 HG23 ILE 4 HG23 ILE 4 1.912 10.393 -6.651
36 HD11 ILE 4 HD1 ILE 4 4.397 8.853 -7.515
37 HD12 ILE 4 HD2 ILE 4 5.562 8.074 -6.393
38 HD13 ILE 4 HD3 ILE 4 4.233 7.101 -7.132
39 H LEU 5 HN LEU 5 -0.089 6.516 -5.354
40 HA LEU 5 HA LEU 5 -2.395 7.792 -6.337
41 HB2 LEU 5 HB1 LEU 5 -3.277 5.645 -6.872
42 HB3 LEU 5 HB2 LEU 5 -1.542 5.708 -7.262
43 HG LEU 5 HG LEU 5 -1.290 4.544 -4.840
44 HD11 LEU 5 HD11 LEU 5 -3.757 4.544 -4.274
45 HD12 LEU 5 HD12 LEU 5 -3.110 2.875 -4.454
46 HD13 LEU 5 HD13 LEU 5 -4.083 3.608 -5.779
47 HD21 LEU 5 HD21 LEU 5 -1.272 2.345 -6.010
48 HD22 LEU 5 HD22 LEU 5 -0.499 3.623 -7.023
49 HD23 LEU 5 HD23 LEU 5 -2.171 3.063 -7.395
50 H ALA 6 HN ALA 6 -1.696 6.420 -3.126
51 HA ALA 6 HA ALA 6 -4.314 6.575 -2.121
52 HB1 ALA 6 HB1 ALA 6 -3.203 6.591 0.116
53 HB2 ALA 6 HB2 ALA 6 -2.410 5.402 -0.978
54 HB3 ALA 6 HB3 ALA 6 -1.629 6.995 -0.666
55 H SER 7 HN SER 7 -1.753 9.068 -2.248
56 HA SER 7 HA SER 7 -3.178 11.142 -0.995
57 HB2 SER 7 HB1 SER 7 -1.023 11.372 -3.187
58 HB3 SER 7 HB2 SER 7 -1.561 12.689 -2.085
59 HG SER 7 HG1 SER 7 -0.224 10.272 -1.405
60 H LEU 8 HN LEU 8 -2.968 10.227 -4.450
61 HA LEU 8 HA LEU 8 -4.641 12.237 -5.470
62 HB2 LEU 8 HB1 LEU 8 -3.026 10.709 -6.734
63 HB3 LEU 8 HB2 LEU 8 -4.179 9.370 -6.483
64 HG LEU 8 HG LEU 8 -5.920 10.762 -7.774
65 HD11 LEU 8 HD11 LEU 8 -5.040 12.560 -9.274
66 HD12 LEU 8 HD12 LEU 8 -3.425 12.445 -8.490
67 HD13 LEU 8 HD13 LEU 8 -4.850 13.029 -7.547
68 HD21 LEU 8 HD21 LEU 8 -4.957 10.168 -9.988
69 HD22 LEU 8 HD22 LEU 8 -4.671 8.857 -8.787
70 HD23 LEU 8 HD23 LEU 8 -3.328 9.972 -9.247
71 H ALA 9 HN ALA 9 -5.423 8.902 -4.360
72 HA ALA 9 HA ALA 9 -8.139 8.906 -4.859
73 HB1 ALA 9 HB1 ALA 9 -6.781 6.877 -4.291
74 HB2 ALA 9 HB2 ALA 9 -6.573 7.495 -2.615
75 HB3 ALA 9 HB3 ALA 9 -8.213 7.025 -3.207
76 H ALA 10 HN ALA 10 -6.387 10.255 -2.050
77 HA ALA 10 HA ALA 10 -8.820 10.926 -0.675
78 HB1 ALA 10 HB1 ALA 10 -7.265 12.086 0.899
79 HB2 ALA 10 HB2 ALA 10 -6.656 10.445 0.489
80 HB3 ALA 10 HB3 ALA 10 -5.919 11.881 -0.296
81 H LYS 11 HN LYS 11 -7.912 12.157 -3.555
82 HA LYS 11 HA LYS 11 -9.386 14.652 -2.926
83 HB2 LYS 11 HB1 LYS 11 -7.133 14.192 -4.966
84 HB3 LYS 11 HB2 LYS 11 -8.390 15.431 -5.240
85 HG2 LYS 11 HG1 LYS 11 -6.638 16.660 -4.337
86 HG3 LYS 11 HG2 LYS 11 -7.828 16.480 -3.021
87 HD2 LYS 11 HD1 LYS 11 -6.116 14.268 -2.597
88 HD3 LYS 11 HD2 LYS 11 -4.998 15.407 -3.358
89 HE2 LYS 11 HE1 LYS 11 -4.902 15.520 -0.865
90 HE3 LYS 11 HE2 LYS 11 -5.474 17.101 -1.537
91 HZ1 LYS 11 HZ1 LYS 11 -7.674 16.584 -0.954
92 HZ2 LYS 11 HZ2 LYS 11 -6.767 16.110 0.407
93 HZ3 LYS 11 HZ3 LYS 11 -7.366 14.969 -0.691
94 H PHE 12 HN PHE 12 -8.768 12.104 -5.439
95 HA PHE 12 HA PHE 12 -11.247 12.911 -6.742
96 HB2 PHE 12 HB1 PHE 12 -8.945 11.003 -7.482
97 HB3 PHE 12 HB2 PHE 12 -10.428 11.193 -8.495
98 HD1 PHE 12 HD1 PHE 12 -7.319 12.841 -7.376
99 HD2 PHE 12 HD2 PHE 12 -10.982 13.297 -9.568
100 HE1 PHE 12 HE1 PHE 12 -6.417 14.883 -8.460
101 HE2 PHE 12 HE2 PHE 12 -10.082 15.330 -10.655
102 HZ PHE 12 HZ PHE 12 -7.800 16.125 -10.103
103 H GLY 13 HN GLY 13 -10.589 10.706 -4.272
104 HA2 GLY 13 HA1 GLY 13 -12.875 9.006 -5.090
105 HA3 GLY 13 HA2 GLY 13 -11.534 8.571 -3.991
106 HA PRO 14 HA PRO 14 -13.903 11.193 -0.974
107 HB2 PRO 14 HB1 PRO 14 -16.086 12.808 -1.632
108 HB3 PRO 14 HB2 PRO 14 -14.379 13.360 -1.819
109 HG2 PRO 14 HG1 PRO 14 -16.161 12.125 -3.994
110 HG3 PRO 14 HG2 PRO 14 -15.212 13.667 -4.070
111 HD2 PRO 14 HD1 PRO 14 -14.180 11.321 -5.081
112 HD3 PRO 14 HD2 PRO 14 -13.122 12.491 -4.177
113 H LYS 15 HN LYS 15 -15.753 9.695 -3.490
114 HA LYS 15 HA LYS 15 -17.967 8.701 -2.095
115 HB2 LYS 15 HB1 LYS 15 -17.546 8.663 -4.592
116 HB3 LYS 15 HB2 LYS 15 -16.247 7.457 -4.337
117 HG2 LYS 15 HG1 LYS 15 -18.047 5.882 -3.363
118 HG3 LYS 15 HG2 LYS 15 -19.277 7.055 -3.906
119 HD2 LYS 15 HD1 LYS 15 -17.191 5.596 -5.664
120 HD3 LYS 15 HD2 LYS 15 -18.910 5.126 -5.478
121 HE2 LYS 15 HE1 LYS 15 -19.644 7.278 -6.557
122 HE3 LYS 15 HE2 LYS 15 -17.917 7.777 -6.753
123 HZ1 LYS 15 HZ1 LYS 15 -18.802 6.798 -8.762
124 HZ2 LYS 15 HZ2 LYS 15 -19.178 5.356 -7.962
125 HZ3 LYS 15 HZ3 LYS 15 -17.564 5.832 -8.141
126 H LEU 16 HN LEU 16 -14.650 7.281 -2.432
127 HA LEU 16 HA LEU 16 -15.249 5.027 -0.750
128 HB2 LEU 16 HB1 LEU 16 -12.583 6.244 -1.691
129 HB3 LEU 16 HB2 LEU 16 -12.758 4.667 -0.861
130 HG LEU 16 HG LEU 16 -13.958 5.358 -3.610
131 HD11 LEU 16 HD11 LEU 16 -12.166 3.875 -4.512
132 HD12 LEU 16 HD12 LEU 16 -11.492 3.669 -2.856
133 HD13 LEU 16 HD13 LEU 16 -11.461 5.289 -3.642
134 HD21 LEU 16 HD21 LEU 16 -13.780 2.683 -2.075
135 HD22 LEU 16 HD22 LEU 16 -14.315 2.868 -3.782
136 HD23 LEU 16 HD23 LEU 16 -15.293 3.589 -2.452
137 H PHE 17 HN PHE 17 -13.650 8.185 -0.361
138 HA PHE 17 HA PHE 17 -12.627 7.788 2.166
139 HB2 PHE 17 HB1 PHE 17 -12.255 9.685 0.354
140 HB3 PHE 17 HB2 PHE 17 -13.598 10.542 1.189
141 HD1 PHE 17 HD1 PHE 17 -13.292 11.173 3.622
142 HD2 PHE 17 HD2 PHE 17 -10.106 9.440 1.317
143 HE1 PHE 17 HE1 PHE 17 -11.657 11.906 5.329
144 HE2 PHE 17 HE2 PHE 17 -8.468 10.190 3.018
145 HZ PHE 17 HZ PHE 17 -9.245 11.421 5.028
146 HN2 ABA 18 HN AGL 18 -15.859 9.166 1.302
147 HA ABA 18 HA AGL 18 -16.704 9.577 3.947
148 HB3 ABA 18 HB2 AGL 18 -18.275 9.011 1.374
149 HB2 ABA 18 HB1 AGL 18 -17.791 10.607 1.973
150 HG3 ABA 18 HG AGL 18 -20.106 8.852 2.920
151 H LEU 19 HN LEU 19 -17.011 6.616 1.868
152 HA LEU 19 HA LEU 19 -18.593 5.209 3.720
153 HB2 LEU 19 HB1 LEU 19 -16.695 4.266 1.509
154 HB3 LEU 19 HB2 LEU 19 -17.764 3.151 2.421
155 HG LEU 19 HG LEU 19 -18.795 5.530 0.778
156 HD11 LEU 19 HD11 LEU 19 -18.617 2.543 0.029
157 HD12 LEU 19 HD12 LEU 19 -17.646 3.886 -0.690
158 HD13 LEU 19 HD13 LEU 19 -19.433 3.832 -0.935
159 HD21 LEU 19 HD21 LEU 19 -20.235 3.093 2.013
160 HD22 LEU 19 HD22 LEU 19 -20.992 4.320 0.933
161 HD23 LEU 19 HD23 LEU 19 -20.390 4.805 2.558
162 H VAL 20 HN VAL 20 -14.969 5.137 3.341
163 HA VAL 20 HA VAL 20 -14.731 3.303 5.497
164 HB VAL 20 HB VAL 20 -12.359 3.735 5.540
165 HG11 VAL 20 HG11 VAL 20 -13.512 3.520 2.676
166 HG12 VAL 20 HG12 VAL 20 -11.908 2.939 3.241
167 HG13 VAL 20 HG13 VAL 20 -13.410 2.170 3.870
168 HG21 VAL 20 HG21 VAL 20 -11.338 5.307 3.852
169 HG22 VAL 20 HG22 VAL 20 -12.968 5.967 3.479
170 HG23 VAL 20 HG23 VAL 20 -12.243 6.193 5.121
171 H THR 21 HN THR 21 -14.544 6.870 5.432
172 HA THR 21 HA THR 21 -13.853 7.171 8.143
173 HB THR 21 HB THR 21 -15.386 9.221 6.481
174 HG1 THR 21 HG1 THR 21 -13.558 8.802 5.391
175 HG21 THR 21 HG21 THR 21 -13.391 9.441 8.853
176 HG22 THR 21 HG22 THR 21 -15.166 9.691 9.015
177 HG23 THR 21 HG23 THR 21 -14.176 10.815 8.007
178 H LYS 22 HN LYS 22 -17.034 7.002 6.551
179 HA LYS 22 HA LYS 22 -19.102 7.004 7.166
180 HB2 LYS 22 HB1 LYS 22 -18.221 6.085 9.930
181 HB3 LYS 22 HB2 LYS 22 -19.819 5.814 9.188
182 HG2 LYS 22 HG1 LYS 22 -19.009 4.183 7.650
183 HG3 LYS 22 HG2 LYS 22 -17.313 4.657 7.815
184 HD2 LYS 22 HD1 LYS 22 -18.989 3.163 9.904
185 HD3 LYS 22 HD2 LYS 22 -17.661 2.529 8.895
186 HE2 LYS 22 HE1 LYS 22 -17.490 4.414 11.320
187 HE3 LYS 22 HE2 LYS 22 -16.694 2.816 11.060
188 HZ1 LYS 22 HZ1 LYS 22 -15.499 4.082 9.135
189 HZ2 LYS 22 HZ2 LYS 22 -15.024 4.386 10.731
190 HZ3 LYS 22 HZ3 LYS 22 -16.028 5.459 9.905
191 H LYS 23 HN LYS 23 -17.379 9.469 7.973
192 HA LYS 23 HA LYS 23 -19.411 10.688 9.766
193 HB2 LYS 23 HB1 LYS 23 -17.067 10.330 10.673
194 HB3 LYS 23 HB2 LYS 23 -16.462 11.484 9.453
195 HG2 LYS 23 HG1 LYS 23 -18.743 12.565 11.032
196 HG3 LYS 23 HG2 LYS 23 -17.399 12.024 12.091
197 HD2 LYS 23 HD1 LYS 23 -15.804 13.529 10.991
198 HD3 LYS 23 HD2 LYS 23 -16.927 13.812 9.637
199 HE2 LYS 23 HE1 LYS 23 -16.860 15.820 11.057
200 HE3 LYS 23 HE2 LYS 23 -18.505 15.071 11.074
201 HZ1 LYS 23 HZ1 LYS 23 -17.943 14.025 13.174
202 HZ2 LYS 23 HZ2 LYS 23 -17.790 15.710 13.279
203 HZ3 LYS 23 HZ3 LYS 23 -16.405 14.738 13.168
204 HN2 ABA 24 HN AGL 24 -18.978 10.516 6.560
205 HA ABA 24 HA AGL 24 -18.621 13.281 5.902
206 HB3 ABA 24 HB2 AGL 24 -17.866 11.627 4.319
207 HB2 ABA 24 HB1 AGL 24 -19.121 12.662 3.591
208 HG3 ABA 24 HG AGL 24 -20.758 10.553 4.445
Start of MODEL 10
1 H1 PHE 1 HN PHE 1 -1.358 0.251 -2.874
2 HA PHE 1 HA PHE 1 0.505 0.168 -1.155
3 HB2 PHE 1 HB1 PHE 1 1.145 -0.766 -4.036
4 HB3 PHE 1 HB2 PHE 1 1.867 -1.437 -2.522
5 HD1 PHE 1 HD1 PHE 1 0.015 -2.211 -0.714
6 HD2 PHE 1 HD2 PHE 1 -0.624 -1.944 -4.956
7 HE1 PHE 1 HE1 PHE 1 -1.881 -3.792 -0.530
8 HE2 PHE 1 HE2 PHE 1 -2.513 -3.531 -4.772
9 HZ PHE 1 HZ PHE 1 -3.150 -4.452 -2.558
10 H LEU 2 HN LEU 2 0.582 2.480 -3.597
11 HA LEU 2 HA LEU 2 3.390 3.204 -2.987
12 HB2 LEU 2 HB1 LEU 2 1.739 3.784 -5.513
13 HB3 LEU 2 HB2 LEU 2 3.287 4.599 -5.131
14 HG LEU 2 HG LEU 2 3.747 2.967 -6.747
15 HD11 LEU 2 HD11 LEU 2 5.454 3.168 -4.915
16 HD12 LEU 2 HD12 LEU 2 5.450 1.540 -5.694
17 HD13 LEU 2 HD13 LEU 2 4.697 1.754 -4.078
18 HD21 LEU 2 HD21 LEU 2 2.542 0.727 -5.028
19 HD22 LEU 2 HD22 LEU 2 3.267 0.589 -6.665
20 HD23 LEU 2 HD23 LEU 2 1.729 1.502 -6.444
21 HA PRO 3 HA PRO 3 1.177 6.223 -0.799
22 HB2 PRO 3 HB1 PRO 3 3.128 8.182 -0.187
23 HB3 PRO 3 HB2 PRO 3 3.057 6.543 0.560
24 HG2 PRO 3 HG1 PRO 3 4.729 7.403 -1.866
25 HG3 PRO 3 HG2 PRO 3 5.283 6.514 -0.386
26 HD2 PRO 3 HD1 PRO 3 4.653 5.135 -2.674
27 HD3 PRO 3 HD2 PRO 3 4.089 4.500 -1.063
28 H ILE 4 HN ILE 4 2.859 7.462 -3.592
29 HA ILE 4 HA ILE 4 1.788 9.914 -4.054
30 HB ILE 4 HB ILE 4 2.198 7.754 -6.160
31 HG12 ILE 4 HG11 ILE 4 4.149 9.813 -4.951
32 HG13 ILE 4 HG12 ILE 4 4.216 8.041 -4.693
33 HG21 ILE 4 HG21 ILE 4 0.893 9.776 -6.972
34 HG22 ILE 4 HG22 ILE 4 2.178 10.855 -6.310
35 HG23 ILE 4 HG23 ILE 4 2.530 9.741 -7.678
36 HD11 ILE 4 HD1 ILE 4 5.887 8.627 -6.369
37 HD12 ILE 4 HD2 ILE 4 4.568 7.718 -7.196
38 HD13 ILE 4 HD3 ILE 4 4.683 9.507 -7.365
39 H LEU 5 HN LEU 5 0.203 6.898 -5.272
40 HA LEU 5 HA LEU 5 -2.008 8.279 -6.257
41 HB2 LEU 5 HB1 LEU 5 -2.975 6.130 -6.791
42 HB3 LEU 5 HB2 LEU 5 -1.237 6.165 -7.171
43 HG LEU 5 HG LEU 5 -1.024 5.046 -4.719
44 HD11 LEU 5 HD11 LEU 5 -2.849 3.387 -4.335
45 HD12 LEU 5 HD12 LEU 5 -3.804 4.105 -5.683
46 HD13 LEU 5 HD13 LEU 5 -3.488 5.061 -4.188
47 HD21 LEU 5 HD21 LEU 5 -1.854 3.514 -7.262
48 HD22 LEU 5 HD22 LEU 5 -0.971 2.831 -5.849
49 HD23 LEU 5 HD23 LEU 5 -0.191 4.093 -6.875
50 H ALA 6 HN ALA 6 -1.462 7.096 -2.962
51 HA ALA 6 HA ALA 6 -4.141 7.097 -2.121
52 HB1 ALA 6 HB1 ALA 6 -1.579 7.769 -0.546
53 HB2 ALA 6 HB2 ALA 6 -3.171 7.318 0.172
54 HB3 ALA 6 HB3 ALA 6 -2.252 6.122 -0.809
55 H SER 7 HN SER 7 -1.794 9.768 -2.355
56 HA SER 7 HA SER 7 -3.449 11.800 -1.265
57 HB2 SER 7 HB1 SER 7 -0.970 12.008 -1.583
58 HB3 SER 7 HB2 SER 7 -1.205 12.059 -3.356
59 HG SER 7 HG1 SER 7 -0.994 14.097 -2.095
60 H LEU 8 HN LEU 8 -3.104 10.586 -4.631
61 HA LEU 8 HA LEU 8 -4.934 12.436 -5.783
62 HB2 LEU 8 HB1 LEU 8 -3.175 10.998 -6.986
63 HB3 LEU 8 HB2 LEU 8 -4.221 9.585 -6.677
64 HG LEU 8 HG LEU 8 -6.072 10.784 -7.999
65 HD11 LEU 8 HD11 LEU 8 -5.193 13.143 -7.868
66 HD12 LEU 8 HD12 LEU 8 -5.368 12.586 -9.568
67 HD13 LEU 8 HD13 LEU 8 -3.736 12.639 -8.817
68 HD21 LEU 8 HD21 LEU 8 -4.673 8.957 -8.964
69 HD22 LEU 8 HD22 LEU 8 -3.434 10.167 -9.473
70 HD23 LEU 8 HD23 LEU 8 -5.080 10.201 -10.200
71 H ALA 9 HN ALA 9 -5.342 9.081 -4.561
72 HA ALA 9 HA ALA 9 -7.981 8.711 -5.208
73 HB1 ALA 9 HB1 ALA 9 -7.865 6.812 -3.579
74 HB2 ALA 9 HB2 ALA 9 -6.372 6.901 -4.579
75 HB3 ALA 9 HB3 ALA 9 -6.351 7.512 -2.887
76 H ALA 10 HN ALA 10 -6.674 10.139 -2.166
77 HA ALA 10 HA ALA 10 -9.130 10.340 -0.852
78 HB1 ALA 10 HB1 ALA 10 -6.897 10.718 0.212
79 HB2 ALA 10 HB2 ALA 10 -6.691 12.222 -0.755
80 HB3 ALA 10 HB3 ALA 10 -7.993 12.117 0.497
81 H LYS 11 HN LYS 11 -7.719 12.546 -3.290
82 HA LYS 11 HA LYS 11 -9.801 14.520 -2.937
83 HB2 LYS 11 HB1 LYS 11 -7.731 14.241 -5.185
84 HB3 LYS 11 HB2 LYS 11 -8.731 15.687 -4.827
85 HG2 LYS 11 HG1 LYS 11 -7.606 15.835 -2.547
86 HG3 LYS 11 HG2 LYS 11 -6.574 14.452 -3.011
87 HD2 LYS 11 HD1 LYS 11 -5.962 15.974 -5.137
88 HD3 LYS 11 HD2 LYS 11 -6.653 17.295 -4.161
89 HE2 LYS 11 HE1 LYS 11 -4.246 17.335 -3.764
90 HE3 LYS 11 HE2 LYS 11 -4.994 16.642 -2.267
91 HZ1 LYS 11 HZ1 LYS 11 -3.662 15.181 -4.499
92 HZ2 LYS 11 HZ2 LYS 11 -4.570 14.411 -3.319
93 HZ3 LYS 11 HZ3 LYS 11 -3.185 15.214 -2.877
94 H PHE 12 HN PHE 12 -9.053 12.041 -5.457
95 HA PHE 12 HA PHE 12 -11.458 12.849 -6.921
96 HB2 PHE 12 HB1 PHE 12 -9.065 11.005 -7.520
97 HB3 PHE 12 HB2 PHE 12 -10.517 11.059 -8.588
98 HD1 PHE 12 HD1 PHE 12 -7.606 13.013 -7.374
99 HD2 PHE 12 HD2 PHE 12 -11.088 12.985 -9.881
100 HE1 PHE 12 HE1 PHE 12 -6.779 15.042 -8.549
101 HE2 PHE 12 HE2 PHE 12 -10.263 14.999 -11.059
102 HZ PHE 12 HZ PHE 12 -8.109 16.028 -10.396
103 H GLY 13 HN GLY 13 -10.846 10.668 -4.430
104 HA2 GLY 13 HA1 GLY 13 -13.205 9.056 -5.227
105 HA3 GLY 13 HA2 GLY 13 -11.783 8.457 -4.312
106 HA PRO 14 HA PRO 14 -13.701 11.013 -0.958
107 HB2 PRO 14 HB1 PRO 14 -15.851 12.764 -1.303
108 HB3 PRO 14 HB2 PRO 14 -14.153 13.226 -1.707
109 HG2 PRO 14 HG1 PRO 14 -16.262 12.121 -3.653
110 HG3 PRO 14 HG2 PRO 14 -15.272 13.632 -3.819
111 HD2 PRO 14 HD1 PRO 14 -14.437 11.298 -5.010
112 HD3 PRO 14 HD2 PRO 14 -13.248 12.386 -4.169
113 H LYS 15 HN LYS 15 -15.677 9.494 -3.262
114 HA LYS 15 HA LYS 15 -17.871 8.550 -1.782
115 HB2 LYS 15 HB1 LYS 15 -17.481 8.365 -4.280
116 HB3 LYS 15 HB2 LYS 15 -16.133 7.230 -3.968
117 HG2 LYS 15 HG1 LYS 15 -17.873 5.653 -2.870
118 HG3 LYS 15 HG2 LYS 15 -19.142 6.734 -3.509
119 HD2 LYS 15 HD1 LYS 15 -16.978 5.228 -5.127
120 HD3 LYS 15 HD2 LYS 15 -18.684 4.715 -4.936
121 HE2 LYS 15 HE1 LYS 15 -19.465 6.754 -6.187
122 HE3 LYS 15 HE2 LYS 15 -17.752 7.302 -6.379
123 HZ1 LYS 15 HZ1 LYS 15 -18.895 4.758 -7.443
124 HZ2 LYS 15 HZ2 LYS 15 -17.295 5.281 -7.617
125 HZ3 LYS 15 HZ3 LYS 15 -18.550 6.155 -8.333
126 H LEU 16 HN LEU 16 -14.513 7.212 -2.083
127 HA LEU 16 HA LEU 16 -15.033 5.021 -0.294
128 HB2 LEU 16 HB1 LEU 16 -12.422 6.276 -1.333
129 HB3 LEU 16 HB2 LEU 16 -12.517 4.757 -0.388
130 HG LEU 16 HG LEU 16 -13.785 5.189 -3.157
131 HD11 LEU 16 HD11 LEU 16 -11.291 5.238 -3.232
132 HD12 LEU 16 HD12 LEU 16 -11.935 3.728 -3.981
133 HD13 LEU 16 HD13 LEU 16 -11.227 3.681 -2.327
134 HD21 LEU 16 HD21 LEU 16 -15.015 3.447 -1.849
135 HD22 LEU 16 HD22 LEU 16 -13.453 2.647 -1.432
136 HD23 LEU 16 HD23 LEU 16 -14.020 2.676 -3.138
137 H PHE 17 HN PHE 17 -13.535 8.236 -0.068
138 HA PHE 17 HA PHE 17 -12.514 8.006 2.489
139 HB2 PHE 17 HB1 PHE 17 -12.228 9.808 0.523
140 HB3 PHE 17 HB2 PHE 17 -13.527 10.695 1.388
141 HD1 PHE 17 HD1 PHE 17 -12.993 11.788 3.508
142 HD2 PHE 17 HD2 PHE 17 -10.111 9.239 1.599
143 HE1 PHE 17 HE1 PHE 17 -11.226 12.635 5.034
144 HE2 PHE 17 HE2 PHE 17 -8.350 10.082 3.123
145 HZ PHE 17 HZ PHE 17 -8.907 11.782 4.839
146 HN2 ABA 18 HN AGL 18 -15.750 9.224 1.491
147 HA ABA 18 HA AGL 18 -16.754 9.741 4.054
148 HB3 ABA 18 HB2 AGL 18 -18.046 8.922 1.396
149 HB2 ABA 18 HB1 AGL 18 -17.815 10.572 1.998
150 HG3 ABA 18 HG AGL 18 -20.006 8.572 2.710
151 H LEU 19 HN LEU 19 -16.826 6.627 2.163
152 HA LEU 19 HA LEU 19 -18.403 5.297 4.087
153 HB2 LEU 19 HB1 LEU 19 -16.469 4.279 1.942
154 HB3 LEU 19 HB2 LEU 19 -17.508 3.186 2.913
155 HG LEU 19 HG LEU 19 -18.614 5.447 1.156
156 HD11 LEU 19 HD11 LEU 19 -17.400 3.796 -0.247
157 HD12 LEU 19 HD12 LEU 19 -19.183 3.660 -0.488
158 HD13 LEU 19 HD13 LEU 19 -18.316 2.443 0.524
159 HD21 LEU 19 HD21 LEU 19 -20.184 4.732 2.962
160 HD22 LEU 19 HD22 LEU 19 -19.964 3.008 2.483
161 HD23 LEU 19 HD23 LEU 19 -20.762 4.164 1.356
162 H VAL 20 HN VAL 20 -14.784 5.278 3.711
163 HA VAL 20 HA VAL 20 -14.486 3.517 5.905
164 HB VAL 20 HB VAL 20 -12.124 3.967 5.888
165 HG11 VAL 20 HG11 VAL 20 -13.181 2.387 4.235
166 HG12 VAL 20 HG12 VAL 20 -13.308 3.734 3.038
167 HG13 VAL 20 HG13 VAL 20 -11.693 3.169 3.589
168 HG21 VAL 20 HG21 VAL 20 -12.015 6.413 5.472
169 HG22 VAL 20 HG22 VAL 20 -11.149 5.544 4.167
170 HG23 VAL 20 HG23 VAL 20 -12.793 6.205 3.853
171 H THR 21 HN THR 21 -14.339 7.091 5.767
172 HA THR 21 HA THR 21 -13.678 7.260 8.555
173 HB THR 21 HB THR 21 -14.767 9.662 7.061
174 HG1 THR 21 HG1 THR 21 -13.300 8.917 5.626
175 HG21 THR 21 HG21 THR 21 -12.408 9.154 9.019
176 HG22 THR 21 HG22 THR 21 -14.014 9.765 9.543
177 HG23 THR 21 HG23 THR 21 -12.967 10.759 8.444
178 H LYS 22 HN LYS 22 -16.584 6.897 6.817
179 HA LYS 22 HA LYS 22 -18.655 6.605 7.321
180 HB2 LYS 22 HB1 LYS 22 -17.181 5.126 8.852
181 HB3 LYS 22 HB2 LYS 22 -17.801 6.145 10.200
182 HG2 LYS 22 HG1 LYS 22 -20.176 5.470 9.373
183 HG3 LYS 22 HG2 LYS 22 -19.385 4.299 8.284
184 HD2 LYS 22 HD1 LYS 22 -19.231 4.376 11.383
185 HD3 LYS 22 HD2 LYS 22 -20.251 3.309 10.394
186 HE2 LYS 22 HE1 LYS 22 -18.445 1.928 11.106
187 HE3 LYS 22 HE2 LYS 22 -18.124 2.282 9.363
188 HZ1 LYS 22 HZ1 LYS 22 -16.564 3.978 10.061
189 HZ2 LYS 22 HZ2 LYS 22 -16.143 2.491 10.753
190 HZ3 LYS 22 HZ3 LYS 22 -16.896 3.688 11.694
191 H LYS 23 HN LYS 23 -17.683 9.494 7.970
192 HA LYS 23 HA LYS 23 -20.158 10.221 9.437
193 HB2 LYS 23 HB1 LYS 23 -19.172 11.487 10.970
194 HB3 LYS 23 HB2 LYS 23 -17.884 10.283 10.742
195 HG2 LYS 23 HG1 LYS 23 -17.993 13.174 9.657
196 HG3 LYS 23 HG2 LYS 23 -17.048 12.560 11.040
197 HD2 LYS 23 HD1 LYS 23 -15.652 11.165 9.518
198 HD3 LYS 23 HD2 LYS 23 -16.636 11.669 8.112
199 HE2 LYS 23 HE1 LYS 23 -14.493 12.952 8.175
200 HE3 LYS 23 HE2 LYS 23 -15.926 14.039 8.362
201 HZ1 LYS 23 HZ1 LYS 23 -15.574 13.994 10.747
202 HZ2 LYS 23 HZ2 LYS 23 -14.202 14.582 9.947
203 HZ3 LYS 23 HZ3 LYS 23 -14.214 13.004 10.576
204 HN2 ABA 24 HN AGL 24 -19.346 10.286 6.409
205 HA ABA 24 HA AGL 24 -19.384 13.092 5.837
206 HB3 ABA 24 HB2 AGL 24 -18.276 11.606 4.282
207 HB2 ABA 24 HB1 AGL 24 -19.607 12.484 3.483
208 HG3 ABA 24 HG AGL 24 -21.022 10.185 4.124
Start of MODEL 11
1 H1 PHE 1 HN PHE 1 1.424 1.255 0.648
2 HA PHE 1 HA PHE 1 3.152 0.362 -1.521
3 HB2 PHE 1 HB1 PHE 1 0.339 -0.678 -0.810
4 HB3 PHE 1 HB2 PHE 1 1.061 -0.910 -2.445
5 HD1 PHE 1 HD1 PHE 1 2.936 -2.390 -2.804
6 HD2 PHE 1 HD2 PHE 1 1.323 -1.838 1.137
7 HE1 PHE 1 HE1 PHE 1 4.171 -4.389 -2.021
8 HE2 PHE 1 HE2 PHE 1 2.556 -3.837 1.924
9 HZ PHE 1 HZ PHE 1 3.983 -5.115 0.347
10 H LEU 2 HN LEU 2 3.033 1.540 -3.322
11 HA LEU 2 HA LEU 2 2.667 3.312 -4.595
12 HB2 LEU 2 HB1 LEU 2 -0.147 2.166 -4.488
13 HB3 LEU 2 HB2 LEU 2 0.445 3.340 -5.698
14 HG LEU 2 HG LEU 2 2.299 1.622 -6.284
15 HD11 LEU 2 HD11 LEU 2 0.265 -0.258 -4.908
16 HD12 LEU 2 HD12 LEU 2 2.014 -0.087 -4.485
17 HD13 LEU 2 HD13 LEU 2 1.533 -0.789 -6.067
18 HD21 LEU 2 HD21 LEU 2 -0.655 1.067 -6.956
19 HD22 LEU 2 HD22 LEU 2 0.768 0.526 -7.915
20 HD23 LEU 2 HD23 LEU 2 0.407 2.283 -7.762
21 HA PRO 3 HA PRO 3 0.660 5.894 -1.259
22 HB2 PRO 3 HB1 PRO 3 2.749 7.599 -0.449
23 HB3 PRO 3 HB2 PRO 3 2.564 5.904 0.137
24 HG2 PRO 3 HG1 PRO 3 4.294 6.857 -2.220
25 HG3 PRO 3 HG2 PRO 3 4.803 5.846 -0.802
26 HD2 PRO 3 HD1 PRO 3 4.083 4.642 -3.161
27 HD3 PRO 3 HD2 PRO 3 3.497 3.959 -1.575
28 H ILE 4 HN ILE 4 2.520 7.026 -3.964
29 HA ILE 4 HA ILE 4 1.698 9.577 -4.429
30 HB ILE 4 HB ILE 4 1.834 7.381 -6.537
31 HG12 ILE 4 HG11 ILE 4 3.895 7.207 -5.255
32 HG13 ILE 4 HG12 ILE 4 4.202 7.993 -6.823
33 HG21 ILE 4 HG21 ILE 4 0.872 9.511 -7.398
34 HG22 ILE 4 HG22 ILE 4 2.211 10.454 -6.648
35 HG23 ILE 4 HG23 ILE 4 2.549 9.320 -8.003
36 HD11 ILE 4 HD1 ILE 4 5.507 9.115 -5.040
37 HD12 ILE 4 HD2 ILE 4 4.284 10.254 -5.697
38 HD13 ILE 4 HD3 ILE 4 4.015 9.463 -4.101
39 H LEU 5 HN LEU 5 -0.169 6.703 -5.660
40 HA LEU 5 HA LEU 5 -2.273 8.441 -6.450
41 HB2 LEU 5 HB1 LEU 5 -3.487 6.440 -7.173
42 HB3 LEU 5 HB2 LEU 5 -1.840 6.599 -7.827
43 HG LEU 5 HG LEU 5 -1.037 4.896 -6.109
44 HD11 LEU 5 HD11 LEU 5 -2.858 4.839 -4.431
45 HD12 LEU 5 HD12 LEU 5 -2.789 3.265 -5.277
46 HD13 LEU 5 HD13 LEU 5 -4.070 4.451 -5.718
47 HD21 LEU 5 HD21 LEU 5 -1.423 4.373 -8.507
48 HD22 LEU 5 HD22 LEU 5 -3.170 4.076 -8.179
49 HD23 LEU 5 HD23 LEU 5 -1.929 2.984 -7.473
50 H ALA 6 HN ALA 6 -1.685 6.829 -3.375
51 HA ALA 6 HA ALA 6 -4.337 6.952 -2.415
52 HB1 ALA 6 HB1 ALA 6 -3.267 6.916 -0.153
53 HB2 ALA 6 HB2 ALA 6 -2.480 5.729 -1.252
54 HB3 ALA 6 HB3 ALA 6 -1.673 7.299 -0.900
55 H SER 7 HN SER 7 -1.738 9.354 -2.493
56 HA SER 7 HA SER 7 -3.062 11.459 -1.179
57 HB2 SER 7 HB1 SER 7 -0.849 11.579 -3.319
58 HB3 SER 7 HB2 SER 7 -1.389 12.969 -2.315
59 HG SER 7 HG1 SER 7 -0.130 10.579 -1.449
60 H LEU 8 HN LEU 8 -3.111 10.470 -4.598
61 HA LEU 8 HA LEU 8 -4.768 12.632 -5.488
62 HB2 LEU 8 HB1 LEU 8 -3.198 11.191 -6.904
63 HB3 LEU 8 HB2 LEU 8 -4.316 9.824 -6.653
64 HG LEU 8 HG LEU 8 -6.148 11.255 -7.773
65 HD11 LEU 8 HD11 LEU 8 -5.088 13.520 -7.527
66 HD12 LEU 8 HD12 LEU 8 -5.359 13.107 -9.257
67 HD13 LEU 8 HD13 LEU 8 -3.706 12.982 -8.561
68 HD21 LEU 8 HD21 LEU 8 -3.640 10.529 -9.413
69 HD22 LEU 8 HD22 LEU 8 -5.305 10.756 -10.060
70 HD23 LEU 8 HD23 LEU 8 -4.961 9.398 -8.929
71 H ALA 9 HN ALA 9 -5.425 9.207 -4.573
72 HA ALA 9 HA ALA 9 -8.039 9.058 -5.287
73 HB1 ALA 9 HB1 ALA 9 -8.082 7.005 -3.846
74 HB2 ALA 9 HB2 ALA 9 -6.558 7.113 -4.793
75 HB3 ALA 9 HB3 ALA 9 -6.557 7.554 -3.049
76 H ALA 10 HN ALA 10 -6.812 10.128 -2.085
77 HA ALA 10 HA ALA 10 -9.306 10.280 -0.831
78 HB1 ALA 10 HB1 ALA 10 -8.167 11.903 0.707
79 HB2 ALA 10 HB2 ALA 10 -7.113 10.492 0.339
80 HB3 ALA 10 HB3 ALA 10 -6.816 12.063 -0.487
81 H LYS 11 HN LYS 11 -7.842 12.540 -3.135
82 HA LYS 11 HA LYS 11 -9.757 14.665 -2.605
83 HB2 LYS 11 HB1 LYS 11 -7.440 14.274 -4.574
84 HB3 LYS 11 HB2 LYS 11 -8.562 15.653 -4.724
85 HG2 LYS 11 HG1 LYS 11 -6.480 16.296 -3.636
86 HG3 LYS 11 HG2 LYS 11 -7.914 16.615 -2.619
87 HD2 LYS 11 HD1 LYS 11 -7.408 14.963 -1.044
88 HD3 LYS 11 HD2 LYS 11 -6.416 13.998 -2.164
89 HE2 LYS 11 HE1 LYS 11 -5.494 16.739 -1.060
90 HE3 LYS 11 HE2 LYS 11 -5.100 15.135 -0.313
91 HZ1 LYS 11 HZ1 LYS 11 -4.264 14.460 -2.506
92 HZ2 LYS 11 HZ2 LYS 11 -3.342 15.679 -1.773
93 HZ3 LYS 11 HZ3 LYS 11 -4.403 16.047 -3.059
94 H PHE 12 HN PHE 12 -9.101 12.319 -5.268
95 HA PHE 12 HA PHE 12 -11.468 13.321 -6.680
96 HB2 PHE 12 HB1 PHE 12 -9.170 11.410 -7.419
97 HB3 PHE 12 HB2 PHE 12 -10.619 11.629 -8.473
98 HD1 PHE 12 HD1 PHE 12 -7.593 13.299 -7.134
99 HD2 PHE 12 HD2 PHE 12 -11.104 13.715 -9.569
100 HE1 PHE 12 HE1 PHE 12 -6.667 15.385 -8.118
101 HE2 PHE 12 HE2 PHE 12 -10.180 15.789 -10.554
102 HZ PHE 12 HZ PHE 12 -7.963 16.626 -9.830
103 H GLY 13 HN GLY 13 -10.981 11.058 -4.291
104 HA2 GLY 13 HA1 GLY 13 -13.421 9.595 -5.121
105 HA3 GLY 13 HA2 GLY 13 -12.018 8.873 -4.263
106 HA PRO 14 HA PRO 14 -13.882 11.381 -0.760
107 HB2 PRO 14 HB1 PRO 14 -16.026 13.143 -1.112
108 HB3 PRO 14 HB2 PRO 14 -14.309 13.627 -1.386
109 HG2 PRO 14 HG1 PRO 14 -16.306 12.664 -3.515
110 HG3 PRO 14 HG2 PRO 14 -15.289 14.165 -3.532
111 HD2 PRO 14 HD1 PRO 14 -14.432 11.889 -4.814
112 HD3 PRO 14 HD2 PRO 14 -13.267 12.912 -3.867
113 H LYS 15 HN LYS 15 -15.920 10.173 -3.244
114 HA LYS 15 HA LYS 15 -18.075 9.044 -1.869
115 HB2 LYS 15 HB1 LYS 15 -17.830 9.191 -4.340
116 HB3 LYS 15 HB2 LYS 15 -16.384 8.136 -4.282
117 HG2 LYS 15 HG1 LYS 15 -17.826 6.191 -3.589
118 HG3 LYS 15 HG2 LYS 15 -19.245 7.274 -3.531
119 HD2 LYS 15 HD1 LYS 15 -19.341 6.020 -5.592
120 HD3 LYS 15 HD2 LYS 15 -19.014 7.740 -5.982
121 HE2 LYS 15 HE1 LYS 15 -16.561 7.173 -6.351
122 HE3 LYS 15 HE2 LYS 15 -16.919 5.446 -5.955
123 HZ1 LYS 15 HZ1 LYS 15 -18.428 5.391 -7.850
124 HZ2 LYS 15 HZ2 LYS 15 -16.873 5.852 -8.331
125 HZ3 LYS 15 HZ3 LYS 15 -18.095 7.011 -8.211
126 H LEU 16 HN LEU 16 -14.734 7.721 -2.353
127 HA LEU 16 HA LEU 16 -15.302 5.333 -0.834
128 HB2 LEU 16 HB1 LEU 16 -12.656 6.602 -1.755
129 HB3 LEU 16 HB2 LEU 16 -12.825 4.971 -1.036
130 HG LEU 16 HG LEU 16 -14.072 5.872 -3.702
131 HD11 LEU 16 HD11 LEU 16 -11.610 4.108 -3.126
132 HD12 LEU 16 HD12 LEU 16 -11.579 5.782 -3.790
133 HD13 LEU 16 HD13 LEU 16 -12.313 4.441 -4.749
134 HD21 LEU 16 HD21 LEU 16 -14.461 3.401 -4.051
135 HD22 LEU 16 HD22 LEU 16 -15.405 4.034 -2.651
136 HD23 LEU 16 HD23 LEU 16 -13.895 3.089 -2.373
137 H PHE 17 HN PHE 17 -13.696 8.475 -0.294
138 HA PHE 17 HA PHE 17 -12.604 7.901 2.167
139 HB2 PHE 17 HB1 PHE 17 -12.233 9.911 0.499
140 HB3 PHE 17 HB2 PHE 17 -13.555 10.726 1.405
141 HD1 PHE 17 HD1 PHE 17 -13.192 11.311 3.806
142 HD2 PHE 17 HD2 PHE 17 -10.107 9.419 1.491
143 HE1 PHE 17 HE1 PHE 17 -11.531 11.884 5.549
144 HE2 PHE 17 HE2 PHE 17 -8.441 10.006 3.231
145 HZ PHE 17 HZ PHE 17 -9.156 11.238 5.262
146 HN2 ABA 18 HN AGL 18 -15.854 9.376 1.536
147 HA ABA 18 HA AGL 18 -16.567 9.593 4.249
148 HB3 ABA 18 HB2 AGL 18 -18.267 9.271 1.720
149 HB2 ABA 18 HB1 AGL 18 -17.736 10.800 2.442
150 HG3 ABA 18 HG AGL 18 -20.002 8.948 3.350
151 H LEU 19 HN LEU 19 -16.979 6.804 1.973
152 HA LEU 19 HA LEU 19 -18.479 5.245 3.772
153 HB2 LEU 19 HB1 LEU 19 -16.687 4.492 1.407
154 HB3 LEU 19 HB2 LEU 19 -17.698 3.300 2.285
155 HG LEU 19 HG LEU 19 -18.822 5.775 0.861
156 HD11 LEU 19 HD11 LEU 19 -17.756 4.218 -0.758
157 HD12 LEU 19 HD12 LEU 19 -19.554 4.179 -0.912
158 HD13 LEU 19 HD13 LEU 19 -18.692 2.836 -0.067
159 HD21 LEU 19 HD21 LEU 19 -20.328 4.953 2.672
160 HD22 LEU 19 HD22 LEU 19 -20.198 3.271 2.034
161 HD23 LEU 19 HD23 LEU 19 -21.009 4.549 1.057
162 H VAL 20 HN VAL 20 -14.871 5.252 3.257
163 HA VAL 20 HA VAL 20 -14.524 3.278 5.271
164 HB VAL 20 HB VAL 20 -12.163 3.763 5.280
165 HG11 VAL 20 HG11 VAL 20 -11.757 3.129 2.922
166 HG12 VAL 20 HG12 VAL 20 -13.223 2.283 3.539
167 HG13 VAL 20 HG13 VAL 20 -13.390 3.705 2.440
168 HG21 VAL 20 HG21 VAL 20 -12.874 6.090 3.368
169 HG22 VAL 20 HG22 VAL 20 -12.150 6.256 5.017
170 HG23 VAL 20 HG23 VAL 20 -11.218 5.473 3.700
171 H THR 21 HN THR 21 -14.519 6.836 5.457
172 HA THR 21 HA THR 21 -13.732 6.982 8.159
173 HB THR 21 HB THR 21 -15.442 9.033 6.689
174 HG1 THR 21 HG1 THR 21 -13.589 8.776 5.543
175 HG21 THR 21 HG21 THR 21 -13.411 9.225 9.032
176 HG22 THR 21 HG22 THR 21 -15.192 9.351 9.246
177 HG23 THR 21 HG23 THR 21 -14.297 10.599 8.296
178 H LYS 22 HN LYS 22 -16.992 6.732 6.710
179 HA LYS 22 HA LYS 22 -19.025 6.687 7.449
180 HB2 LYS 22 HB1 LYS 22 -17.962 5.520 10.080
181 HB3 LYS 22 HB2 LYS 22 -19.667 5.632 9.602
182 HG2 LYS 22 HG1 LYS 22 -19.299 3.459 9.140
183 HG3 LYS 22 HG2 LYS 22 -19.158 4.220 7.537
184 HD2 LYS 22 HD1 LYS 22 -17.541 2.447 7.819
185 HD3 LYS 22 HD2 LYS 22 -16.680 3.983 7.616
186 HE2 LYS 22 HE1 LYS 22 -17.205 3.011 10.488
187 HE3 LYS 22 HE2 LYS 22 -16.029 2.077 9.481
188 HZ1 LYS 22 HZ1 LYS 22 -15.874 5.012 9.976
189 HZ2 LYS 22 HZ2 LYS 22 -14.851 4.102 9.029
190 HZ3 LYS 22 HZ3 LYS 22 -14.906 3.820 10.703
191 H LYS 23 HN LYS 23 -17.264 9.158 8.248
192 HA LYS 23 HA LYS 23 -19.296 10.257 10.118
193 HB2 LYS 23 HB1 LYS 23 -16.961 9.690 11.032
194 HB3 LYS 23 HB2 LYS 23 -16.358 11.111 10.142
195 HG2 LYS 23 HG1 LYS 23 -18.784 11.403 12.002
196 HG3 LYS 23 HG2 LYS 23 -17.200 11.100 12.745
197 HD2 LYS 23 HD1 LYS 23 -16.380 13.155 12.405
198 HD3 LYS 23 HD2 LYS 23 -16.960 13.256 10.732
199 HE2 LYS 23 HE1 LYS 23 -18.681 13.828 13.251
200 HE3 LYS 23 HE2 LYS 23 -17.946 15.052 12.139
201 HZ1 LYS 23 HZ1 LYS 23 -20.041 14.840 11.268
202 HZ2 LYS 23 HZ2 LYS 23 -20.178 13.189 11.649
203 HZ3 LYS 23 HZ3 LYS 23 -19.212 13.668 10.363
204 HN2 ABA 24 HN AGL 24 -18.887 10.368 6.996
205 HA ABA 24 HA AGL 24 -18.521 13.193 6.579
206 HB3 ABA 24 HB2 AGL 24 -17.786 11.695 4.837
207 HB2 ABA 24 HB1 AGL 24 -19.082 12.749 4.217
208 HG3 ABA 24 HG AGL 24 -20.636 10.536 4.988
Start of MODEL 12
1 H1 PHE 1 HN PHE 1 1.464 0.947 0.446
2 HA PHE 1 HA PHE 1 3.439 0.269 -1.522
3 HB2 PHE 1 HB1 PHE 1 0.779 -1.237 -1.190
4 HB3 PHE 1 HB2 PHE 1 1.517 -1.067 -2.823
5 HD1 PHE 1 HD1 PHE 1 3.382 -2.353 -3.483
6 HD2 PHE 1 HD2 PHE 1 2.138 -2.388 0.626
7 HE1 PHE 1 HE1 PHE 1 4.909 -4.248 -3.042
8 HE2 PHE 1 HE2 PHE 1 3.663 -4.286 1.074
9 HZ PHE 1 HZ PHE 1 5.057 -5.218 -0.759
10 H LEU 2 HN LEU 2 3.132 1.321 -3.464
11 HA LEU 2 HA LEU 2 2.718 3.150 -4.647
12 HB2 LEU 2 HB1 LEU 2 -0.042 1.896 -4.482
13 HB3 LEU 2 HB2 LEU 2 0.405 3.188 -5.630
14 HG LEU 2 HG LEU 2 2.289 1.677 -6.496
15 HD11 LEU 2 HD11 LEU 2 1.788 -0.807 -6.368
16 HD12 LEU 2 HD12 LEU 2 0.607 -0.476 -5.052
17 HD13 LEU 2 HD13 LEU 2 2.368 -0.147 -4.802
18 HD21 LEU 2 HD21 LEU 2 -0.650 0.862 -6.920
19 HD22 LEU 2 HD22 LEU 2 0.716 0.513 -8.038
20 HD23 LEU 2 HD23 LEU 2 0.209 2.216 -7.747
21 HA PRO 3 HA PRO 3 0.843 5.607 -1.158
22 HB2 PRO 3 HB1 PRO 3 2.931 7.374 -0.474
23 HB3 PRO 3 HB2 PRO 3 2.830 5.671 0.110
24 HG2 PRO 3 HG1 PRO 3 4.369 6.688 -2.348
25 HG3 PRO 3 HG2 PRO 3 5.003 5.680 -0.979
26 HD2 PRO 3 HD1 PRO 3 4.163 4.476 -3.296
27 HD3 PRO 3 HD2 PRO 3 3.690 3.763 -1.685
28 H ILE 4 HN ILE 4 2.432 6.832 -3.983
29 HA ILE 4 HA ILE 4 1.533 9.374 -4.324
30 HB ILE 4 HB ILE 4 1.522 7.227 -6.484
31 HG12 ILE 4 HG11 ILE 4 3.684 7.054 -5.383
32 HG13 ILE 4 HG12 ILE 4 3.852 7.883 -6.950
33 HG21 ILE 4 HG21 ILE 4 1.846 10.307 -6.556
34 HG22 ILE 4 HG22 ILE 4 2.090 9.208 -7.959
35 HG23 ILE 4 HG23 ILE 4 0.465 9.358 -7.215
36 HD11 ILE 4 HD1 ILE 4 3.993 10.117 -5.776
37 HD12 ILE 4 HD2 ILE 4 3.869 9.283 -4.184
38 HD13 ILE 4 HD3 ILE 4 5.283 8.983 -5.253
39 H LEU 5 HN LEU 5 -0.395 6.496 -5.427
40 HA LEU 5 HA LEU 5 -2.526 8.193 -6.162
41 HB2 LEU 5 HB1 LEU 5 -3.743 6.208 -6.822
42 HB3 LEU 5 HB2 LEU 5 -2.061 6.198 -7.403
43 HG LEU 5 HG LEU 5 -1.534 4.652 -5.351
44 HD11 LEU 5 HD11 LEU 5 -4.598 4.271 -5.539
45 HD12 LEU 5 HD12 LEU 5 -3.682 4.801 -4.075
46 HD13 LEU 5 HD13 LEU 5 -3.456 3.144 -4.721
47 HD21 LEU 5 HD21 LEU 5 -3.279 3.698 -7.708
48 HD22 LEU 5 HD22 LEU 5 -2.199 2.663 -6.708
49 HD23 LEU 5 HD23 LEU 5 -1.496 3.961 -7.745
50 H ALA 6 HN ALA 6 -1.784 6.839 -3.032
51 HA ALA 6 HA ALA 6 -4.400 6.929 -1.961
52 HB1 ALA 6 HB1 ALA 6 -1.688 7.466 -0.598
53 HB2 ALA 6 HB2 ALA 6 -3.234 7.073 0.241
54 HB3 ALA 6 HB3 ALA 6 -2.445 5.848 -0.815
55 H SER 7 HN SER 7 -1.902 9.442 -2.376
56 HA SER 7 HA SER 7 -3.365 11.574 -1.190
57 HB2 SER 7 HB1 SER 7 -1.178 11.687 -3.354
58 HB3 SER 7 HB2 SER 7 -1.837 13.102 -2.461
59 HG SER 7 HG1 SER 7 -0.340 10.926 -1.431
60 H LEU 8 HN LEU 8 -3.172 10.359 -4.551
61 HA LEU 8 HA LEU 8 -4.865 12.293 -5.707
62 HB2 LEU 8 HB1 LEU 8 -3.303 10.667 -6.912
63 HB3 LEU 8 HB2 LEU 8 -4.452 9.356 -6.514
64 HG LEU 8 HG LEU 8 -6.239 10.666 -7.831
65 HD11 LEU 8 HD11 LEU 8 -5.428 12.321 -9.504
66 HD12 LEU 8 HD12 LEU 8 -3.765 12.231 -8.825
67 HD13 LEU 8 HD13 LEU 8 -5.109 12.925 -7.840
68 HD21 LEU 8 HD21 LEU 8 -5.062 8.659 -8.731
69 HD22 LEU 8 HD22 LEU 8 -3.728 9.710 -9.344
70 HD23 LEU 8 HD23 LEU 8 -5.386 9.869 -10.025
71 H ALA 9 HN ALA 9 -5.648 9.017 -4.382
72 HA ALA 9 HA ALA 9 -8.377 9.053 -4.813
73 HB1 ALA 9 HB1 ALA 9 -6.753 7.735 -2.549
74 HB2 ALA 9 HB2 ALA 9 -8.421 7.256 -3.053
75 HB3 ALA 9 HB3 ALA 9 -7.032 7.033 -4.179
76 H ALA 10 HN ALA 10 -6.517 10.404 -2.074
77 HA ALA 10 HA ALA 10 -8.771 11.195 -0.584
78 HB1 ALA 10 HB1 ALA 10 -7.123 12.538 0.709
79 HB2 ALA 10 HB2 ALA 10 -6.463 10.910 0.332
80 HB3 ALA 10 HB3 ALA 10 -5.910 12.323 -0.624
81 H LYS 11 HN LYS 11 -7.665 12.582 -3.597
82 HA LYS 11 HA LYS 11 -9.386 14.949 -2.997
83 HB2 LYS 11 HB1 LYS 11 -7.054 14.591 -4.944
84 HB3 LYS 11 HB2 LYS 11 -8.326 15.810 -5.232
85 HG2 LYS 11 HG1 LYS 11 -6.589 17.005 -4.220
86 HG3 LYS 11 HG2 LYS 11 -7.892 16.862 -3.018
87 HD2 LYS 11 HD1 LYS 11 -6.139 14.603 -2.544
88 HD3 LYS 11 HD2 LYS 11 -5.045 15.911 -3.002
89 HE2 LYS 11 HE1 LYS 11 -5.349 15.724 -0.521
90 HE3 LYS 11 HE2 LYS 11 -5.888 17.340 -1.128
91 HZ1 LYS 11 HZ1 LYS 11 -7.780 15.068 -0.749
92 HZ2 LYS 11 HZ2 LYS 11 -8.126 16.685 -0.965
93 HZ3 LYS 11 HZ3 LYS 11 -7.413 16.159 0.486
94 H PHE 12 HN PHE 12 -8.914 12.200 -5.259
95 HA PHE 12 HA PHE 12 -11.259 13.162 -6.767
96 HB2 PHE 12 HB1 PHE 12 -8.926 11.257 -7.403
97 HB3 PHE 12 HB2 PHE 12 -10.376 11.400 -8.465
98 HD1 PHE 12 HD1 PHE 12 -7.407 13.225 -7.162
99 HD2 PHE 12 HD2 PHE 12 -10.826 13.354 -9.756
100 HE1 PHE 12 HE1 PHE 12 -6.481 15.233 -8.284
101 HE2 PHE 12 HE2 PHE 12 -9.899 15.353 -10.881
102 HZ PHE 12 HZ PHE 12 -7.728 16.295 -10.148
103 H GLY 13 HN GLY 13 -10.689 10.924 -4.293
104 HA2 GLY 13 HA1 GLY 13 -12.967 9.257 -5.205
105 HA3 GLY 13 HA2 GLY 13 -11.630 8.767 -4.122
106 HA PRO 14 HA PRO 14 -13.921 11.311 -0.991
107 HB2 PRO 14 HB1 PRO 14 -16.081 12.993 -1.569
108 HB3 PRO 14 HB2 PRO 14 -14.363 13.517 -1.733
109 HG2 PRO 14 HG1 PRO 14 -16.177 12.421 -3.957
110 HG3 PRO 14 HG2 PRO 14 -15.190 13.939 -3.968
111 HD2 PRO 14 HD1 PRO 14 -14.221 11.616 -5.084
112 HD3 PRO 14 HD2 PRO 14 -13.130 12.716 -4.135
113 H LYS 15 HN LYS 15 -15.856 9.986 -3.538
114 HA LYS 15 HA LYS 15 -18.071 8.978 -2.174
115 HB2 LYS 15 HB1 LYS 15 -17.772 9.063 -4.644
116 HB3 LYS 15 HB2 LYS 15 -16.418 7.894 -4.539
117 HG2 LYS 15 HG1 LYS 15 -18.015 6.095 -3.822
118 HG3 LYS 15 HG2 LYS 15 -19.337 7.293 -3.755
119 HD2 LYS 15 HD1 LYS 15 -19.586 6.024 -5.788
120 HD3 LYS 15 HD2 LYS 15 -19.129 7.706 -6.211
121 HE2 LYS 15 HE1 LYS 15 -16.744 6.934 -6.640
122 HE3 LYS 15 HE2 LYS 15 -17.230 5.248 -6.207
123 HZ1 LYS 15 HZ1 LYS 15 -18.796 5.293 -8.056
124 HZ2 LYS 15 HZ2 LYS 15 -17.223 5.612 -8.589
125 HZ3 LYS 15 HZ3 LYS 15 -18.339 6.873 -8.455
126 H LEU 16 HN LEU 16 -14.781 7.502 -2.532
127 HA LEU 16 HA LEU 16 -15.521 5.223 -0.890
128 HB2 LEU 16 HB1 LEU 16 -12.808 6.267 -1.900
129 HB3 LEU 16 HB2 LEU 16 -13.043 4.727 -1.016
130 HG LEU 16 HG LEU 16 -14.287 5.383 -3.751
131 HD11 LEU 16 HD11 LEU 16 -11.797 5.220 -3.863
132 HD12 LEU 16 HD12 LEU 16 -12.576 3.799 -4.656
133 HD13 LEU 16 HD13 LEU 16 -11.858 3.632 -3.015
134 HD21 LEU 16 HD21 LEU 16 -14.152 2.755 -2.133
135 HD22 LEU 16 HD22 LEU 16 -14.737 2.899 -3.826
136 HD23 LEU 16 HD23 LEU 16 -15.645 3.700 -2.491
137 H PHE 17 HN PHE 17 -13.714 8.278 -0.551
138 HA PHE 17 HA PHE 17 -12.556 7.759 1.877
139 HB2 PHE 17 HB1 PHE 17 -12.220 9.665 0.049
140 HB3 PHE 17 HB2 PHE 17 -13.374 10.608 1.053
141 HD1 PHE 17 HD1 PHE 17 -12.702 11.261 3.370
142 HD2 PHE 17 HD2 PHE 17 -10.034 9.077 0.804
143 HE1 PHE 17 HE1 PHE 17 -10.805 11.828 4.856
144 HE2 PHE 17 HE2 PHE 17 -8.136 9.649 2.289
145 HZ PHE 17 HZ PHE 17 -8.521 11.027 4.316
146 HN2 ABA 18 HN AGL 18 -15.719 9.461 1.341
147 HA ABA 18 HA AGL 18 -16.168 9.855 4.098
148 HB3 ABA 18 HB2 AGL 18 -18.731 9.588 2.682
149 HB2 ABA 18 HB1 AGL 18 -17.582 10.365 1.589
150 HG3 ABA 18 HG AGL 18 -17.140 12.223 3.183
151 H LEU 19 HN LEU 19 -17.041 7.084 1.996
152 HA LEU 19 HA LEU 19 -18.621 5.796 3.957
153 HB2 LEU 19 HB1 LEU 19 -17.124 4.698 1.519
154 HB3 LEU 19 HB2 LEU 19 -18.263 3.735 2.514
155 HG LEU 19 HG LEU 19 -19.018 6.267 0.949
156 HD11 LEU 19 HD11 LEU 19 -18.401 4.379 -0.551
157 HD12 LEU 19 HD12 LEU 19 -20.175 4.699 -0.602
158 HD13 LEU 19 HD13 LEU 19 -19.542 3.290 0.331
159 HD21 LEU 19 HD21 LEU 19 -21.382 5.512 1.382
160 HD22 LEU 19 HD22 LEU 19 -20.531 5.939 2.907
161 HD23 LEU 19 HD23 LEU 19 -20.761 4.206 2.454
162 H VAL 20 HN VAL 20 -15.094 5.325 3.158
163 HA VAL 20 HA VAL 20 -14.813 3.340 5.151
164 HB VAL 20 HB VAL 20 -13.302 3.561 3.248
165 HG11 VAL 20 HG11 VAL 20 -12.996 6.063 3.261
166 HG12 VAL 20 HG12 VAL 20 -12.040 5.931 4.790
167 HG13 VAL 20 HG13 VAL 20 -11.434 5.170 3.283
168 HG21 VAL 20 HG21 VAL 20 -11.921 3.632 6.016
169 HG22 VAL 20 HG22 VAL 20 -12.734 2.199 5.278
170 HG23 VAL 20 HG23 VAL 20 -11.270 2.908 4.506
171 H THR 21 HN THR 21 -14.333 6.853 5.295
172 HA THR 21 HA THR 21 -13.491 7.055 7.956
173 HB THR 21 HB THR 21 -15.209 9.111 6.488
174 HG1 THR 21 HG1 THR 21 -13.418 8.787 5.273
175 HG21 THR 21 HG21 THR 21 -13.114 9.275 8.777
176 HG22 THR 21 HG22 THR 21 -14.877 9.553 8.988
177 HG23 THR 21 HG23 THR 21 -13.897 10.689 7.989
178 H LYS 22 HN LYS 22 -16.695 6.631 6.584
179 HA LYS 22 HA LYS 22 -18.750 6.579 7.259
180 HB2 LYS 22 HB1 LYS 22 -17.722 5.721 9.998
181 HB3 LYS 22 HB2 LYS 22 -19.329 5.358 9.322
182 HG2 LYS 22 HG1 LYS 22 -18.517 3.729 7.813
183 HG3 LYS 22 HG2 LYS 22 -16.848 4.314 7.836
184 HD2 LYS 22 HD1 LYS 22 -18.262 2.791 10.093
185 HD3 LYS 22 HD2 LYS 22 -16.980 2.201 8.998
186 HE2 LYS 22 HE1 LYS 22 -16.733 4.163 11.352
187 HE3 LYS 22 HE2 LYS 22 -15.857 2.614 11.059
188 HZ1 LYS 22 HZ1 LYS 22 -14.931 3.917 9.004
189 HZ2 LYS 22 HZ2 LYS 22 -14.322 4.259 10.549
190 HZ3 LYS 22 HZ3 LYS 22 -15.461 5.268 9.825
191 H LYS 23 HN LYS 23 -17.207 9.167 7.960
192 HA LYS 23 HA LYS 23 -18.976 10.145 10.109
193 HB2 LYS 23 HB1 LYS 23 -16.496 10.464 10.156
194 HB3 LYS 23 HB2 LYS 23 -16.612 11.570 8.759
195 HG2 LYS 23 HG1 LYS 23 -18.258 12.018 11.317
196 HG3 LYS 23 HG2 LYS 23 -16.521 12.398 11.327
197 HD2 LYS 23 HD1 LYS 23 -16.657 14.238 9.994
198 HD3 LYS 23 HD2 LYS 23 -17.958 13.591 8.976
199 HE2 LYS 23 HE1 LYS 23 -18.347 14.799 11.807
200 HE3 LYS 23 HE2 LYS 23 -18.739 15.579 10.220
201 HZ1 LYS 23 HZ1 LYS 23 -20.098 13.408 9.891
202 HZ2 LYS 23 HZ2 LYS 23 -20.750 14.670 10.818
203 HZ3 LYS 23 HZ3 LYS 23 -20.067 13.311 11.567
204 HN2 ABA 24 HN AGL 24 -19.053 9.921 6.721
205 HA ABA 24 HA AGL 24 -20.539 12.389 6.289
206 HB3 ABA 24 HB2 AGL 24 -20.981 11.307 3.988
207 HB2 ABA 24 HB1 AGL 24 -19.950 9.940 4.518
208 HG3 ABA 24 HG AGL 24 -18.891 12.867 4.652
Start of MODEL 13
1 H1 PHE 1 HN PHE 1 1.880 0.699 0.638
2 HA PHE 1 HA PHE 1 3.527 -0.141 -1.581
3 HB2 PHE 1 HB1 PHE 1 0.829 -1.356 -0.824
4 HB3 PHE 1 HB2 PHE 1 1.158 -1.090 -2.572
5 HD1 PHE 1 HD1 PHE 1 1.983 -2.882 -3.707
6 HD2 PHE 1 HD2 PHE 1 3.040 -2.476 0.439
7 HE1 PHE 1 HE1 PHE 1 3.259 -4.997 -3.825
8 HE2 PHE 1 HE2 PHE 1 4.326 -4.579 0.317
9 HZ PHE 1 HZ PHE 1 4.440 -5.849 -1.809
10 H LEU 2 HN LEU 2 3.191 1.011 -3.432
11 HA LEU 2 HA LEU 2 2.755 2.831 -4.639
12 HB2 LEU 2 HB1 LEU 2 -0.082 1.967 -3.970
13 HB3 LEU 2 HB2 LEU 2 0.410 2.874 -5.432
14 HG LEU 2 HG LEU 2 1.363 0.026 -4.734
15 HD11 LEU 2 HD11 LEU 2 -1.097 0.123 -5.138
16 HD12 LEU 2 HD12 LEU 2 -0.226 -0.760 -6.446
17 HD13 LEU 2 HD13 LEU 2 -0.802 0.922 -6.727
18 HD21 LEU 2 HD21 LEU 2 1.593 1.671 -7.340
19 HD22 LEU 2 HD22 LEU 2 2.067 -0.051 -7.140
20 HD23 LEU 2 HD23 LEU 2 2.968 1.232 -6.252
21 HA PRO 3 HA PRO 3 1.249 5.321 -0.964
22 HB2 PRO 3 HB1 PRO 3 3.418 7.024 -0.326
23 HB3 PRO 3 HB2 PRO 3 3.256 5.320 0.237
24 HG2 PRO 3 HG1 PRO 3 4.777 6.304 -2.244
25 HG3 PRO 3 HG2 PRO 3 5.388 5.232 -0.910
26 HD2 PRO 3 HD1 PRO 3 4.435 4.103 -3.223
27 HD3 PRO 3 HD2 PRO 3 3.940 3.412 -1.609
28 H ILE 4 HN ILE 4 2.788 6.740 -3.745
29 HA ILE 4 HA ILE 4 1.901 9.317 -3.822
30 HB ILE 4 HB ILE 4 1.996 7.387 -6.174
31 HG12 ILE 4 HG11 ILE 4 4.125 9.242 -4.932
32 HG13 ILE 4 HG12 ILE 4 4.133 7.451 -4.850
33 HG21 ILE 4 HG21 ILE 4 2.093 10.487 -6.015
34 HG22 ILE 4 HG22 ILE 4 2.308 9.513 -7.513
35 HG23 ILE 4 HG23 ILE 4 0.730 9.519 -6.684
36 HD11 ILE 4 HD1 ILE 4 4.297 7.364 -7.391
37 HD12 ILE 4 HD2 ILE 4 4.453 9.156 -7.404
38 HD13 ILE 4 HD3 ILE 4 5.707 8.165 -6.589
39 H LEU 5 HN LEU 5 -0.047 6.561 -5.145
40 HA LEU 5 HA LEU 5 -2.073 8.323 -5.940
41 HB2 LEU 5 HB1 LEU 5 -3.299 6.402 -6.724
42 HB3 LEU 5 HB2 LEU 5 -1.572 6.280 -7.138
43 HG LEU 5 HG LEU 5 -1.390 4.754 -4.978
44 HD11 LEU 5 HD11 LEU 5 -4.401 4.502 -5.630
45 HD12 LEU 5 HD12 LEU 5 -3.703 5.043 -4.059
46 HD13 LEU 5 HD13 LEU 5 -3.453 3.356 -4.614
47 HD21 LEU 5 HD21 LEU 5 -2.782 3.856 -7.580
48 HD22 LEU 5 HD22 LEU 5 -1.934 2.778 -6.412
49 HD23 LEU 5 HD23 LEU 5 -1.004 4.027 -7.324
50 H ALA 6 HN ALA 6 -1.549 7.080 -2.757
51 HA ALA 6 HA ALA 6 -4.206 6.965 -1.852
52 HB1 ALA 6 HB1 ALA 6 -3.167 7.333 0.409
53 HB2 ALA 6 HB2 ALA 6 -2.235 6.132 -0.553
54 HB3 ALA 6 HB3 ALA 6 -1.623 7.814 -0.393
55 H SER 7 HN SER 7 -1.980 9.735 -2.191
56 HA SER 7 HA SER 7 -3.723 11.710 -1.100
57 HB2 SER 7 HB1 SER 7 -1.447 12.008 -3.159
58 HB3 SER 7 HB2 SER 7 -2.285 13.373 -2.333
59 HG SER 7 HG1 SER 7 -0.646 11.370 -1.166
60 H LEU 8 HN LEU 8 -3.226 10.488 -4.404
61 HA LEU 8 HA LEU 8 -4.961 12.280 -5.741
62 HB2 LEU 8 HB1 LEU 8 -3.158 10.903 -6.819
63 HB3 LEU 8 HB2 LEU 8 -4.032 9.413 -6.360
64 HG LEU 8 HG LEU 8 -5.933 10.082 -7.873
65 HD11 LEU 8 HD11 LEU 8 -5.549 11.832 -9.598
66 HD12 LEU 8 HD12 LEU 8 -3.980 12.280 -8.833
67 HD13 LEU 8 HD13 LEU 8 -5.530 12.562 -7.951
68 HD21 LEU 8 HD21 LEU 8 -4.734 9.483 -9.964
69 HD22 LEU 8 HD22 LEU 8 -4.135 8.496 -8.581
70 HD23 LEU 8 HD23 LEU 8 -3.155 9.882 -9.197
71 H ALA 9 HN ALA 9 -5.492 8.953 -4.457
72 HA ALA 9 HA ALA 9 -8.168 8.724 -5.156
73 HB1 ALA 9 HB1 ALA 9 -6.571 7.423 -2.865
74 HB2 ALA 9 HB2 ALA 9 -8.138 6.811 -3.527
75 HB3 ALA 9 HB3 ALA 9 -6.659 6.819 -4.555
76 H ALA 10 HN ALA 10 -6.742 9.925 -2.032
77 HA ALA 10 HA ALA 10 -9.221 10.306 -0.781
78 HB1 ALA 10 HB1 ALA 10 -7.006 10.285 0.387
79 HB2 ALA 10 HB2 ALA 10 -6.560 11.823 -0.429
80 HB3 ALA 10 HB3 ALA 10 -7.920 11.789 0.763
81 H LYS 11 HN LYS 11 -7.289 12.643 -2.743
82 HA LYS 11 HA LYS 11 -9.176 14.734 -2.391
83 HB2 LYS 11 HB1 LYS 11 -6.767 15.109 -2.915
84 HB3 LYS 11 HB2 LYS 11 -7.010 14.365 -4.520
85 HG2 LYS 11 HG1 LYS 11 -8.762 16.179 -4.994
86 HG3 LYS 11 HG2 LYS 11 -8.309 16.971 -3.457
87 HD2 LYS 11 HD1 LYS 11 -6.081 17.479 -4.263
88 HD3 LYS 11 HD2 LYS 11 -6.211 16.328 -5.618
89 HE2 LYS 11 HE1 LYS 11 -7.775 18.992 -5.349
90 HE3 LYS 11 HE2 LYS 11 -6.395 18.654 -6.471
91 HZ1 LYS 11 HZ1 LYS 11 -7.783 16.887 -7.461
92 HZ2 LYS 11 HZ2 LYS 11 -8.475 18.421 -7.635
93 HZ3 LYS 11 HZ3 LYS 11 -9.067 17.327 -6.478
94 H PHE 12 HN PHE 12 -8.785 12.379 -5.130
95 HA PHE 12 HA PHE 12 -11.001 13.774 -6.498
96 HB2 PHE 12 HB1 PHE 12 -8.861 11.791 -7.456
97 HB3 PHE 12 HB2 PHE 12 -10.251 12.301 -8.468
98 HD1 PHE 12 HD1 PHE 12 -7.163 13.531 -6.774
99 HD2 PHE 12 HD2 PHE 12 -10.295 14.382 -9.570
100 HE1 PHE 12 HE1 PHE 12 -5.764 15.305 -7.790
101 HE2 PHE 12 HE2 PHE 12 -8.936 16.196 -10.555
102 HZ PHE 12 HZ PHE 12 -6.641 16.625 -9.712
103 H GLY 13 HN GLY 13 -10.656 11.088 -4.434
104 HA2 GLY 13 HA1 GLY 13 -13.155 9.932 -5.539
105 HA3 GLY 13 HA2 GLY 13 -11.820 9.016 -4.766
106 HA PRO 14 HA PRO 14 -13.273 11.193 -0.986
107 HB2 PRO 14 HB1 PRO 14 -15.241 13.181 -0.894
108 HB3 PRO 14 HB2 PRO 14 -13.543 13.517 -1.408
109 HG2 PRO 14 HG1 PRO 14 -15.918 12.867 -3.257
110 HG3 PRO 14 HG2 PRO 14 -14.815 14.307 -3.330
111 HD2 PRO 14 HD1 PRO 14 -14.285 12.104 -4.880
112 HD3 PRO 14 HD2 PRO 14 -12.938 12.945 -3.991
113 H LYS 15 HN LYS 15 -15.573 10.080 -3.197
114 HA LYS 15 HA LYS 15 -17.747 9.372 -1.548
115 HB2 LYS 15 HB1 LYS 15 -17.618 9.446 -4.081
116 HB3 LYS 15 HB2 LYS 15 -16.607 7.973 -4.047
117 HG2 LYS 15 HG1 LYS 15 -18.538 6.690 -3.064
118 HG3 LYS 15 HG2 LYS 15 -19.507 8.199 -3.011
119 HD2 LYS 15 HD1 LYS 15 -19.217 8.443 -5.510
120 HD3 LYS 15 HD2 LYS 15 -18.344 6.876 -5.544
121 HE2 LYS 15 HE1 LYS 15 -20.429 5.694 -4.748
122 HE3 LYS 15 HE2 LYS 15 -21.299 7.280 -4.685
123 HZ1 LYS 15 HZ1 LYS 15 -20.888 7.531 -7.057
124 HZ2 LYS 15 HZ2 LYS 15 -21.735 6.098 -6.746
125 HZ3 LYS 15 HZ3 LYS 15 -20.083 6.048 -7.117
126 H LEU 16 HN LEU 16 -14.680 7.596 -2.308
127 HA LEU 16 HA LEU 16 -15.326 5.360 -0.624
128 HB2 LEU 16 HB1 LEU 16 -12.708 6.431 -1.824
129 HB3 LEU 16 HB2 LEU 16 -12.768 4.972 -0.790
130 HG LEU 16 HG LEU 16 -14.289 5.258 -3.439
131 HD11 LEU 16 HD11 LEU 16 -12.538 3.708 -4.337
132 HD12 LEU 16 HD12 LEU 16 -11.665 3.778 -2.765
133 HD13 LEU 16 HD13 LEU 16 -11.811 5.262 -3.777
134 HD21 LEU 16 HD21 LEU 16 -14.515 2.746 -3.219
135 HD22 LEU 16 HD22 LEU 16 -15.380 3.612 -1.897
136 HD23 LEU 16 HD23 LEU 16 -13.782 2.839 -1.580
137 H PHE 17 HN PHE 17 -13.549 8.416 -0.203
138 HA PHE 17 HA PHE 17 -12.423 7.835 2.261
139 HB2 PHE 17 HB1 PHE 17 -12.163 9.825 0.432
140 HB3 PHE 17 HB2 PHE 17 -13.250 10.705 1.558
141 HD1 PHE 17 HD1 PHE 17 -12.181 11.840 3.353
142 HD2 PHE 17 HD2 PHE 17 -10.134 8.589 1.430
143 HE1 PHE 17 HE1 PHE 17 -10.130 12.366 4.640
144 HE2 PHE 17 HE2 PHE 17 -8.090 9.106 2.726
145 HZ PHE 17 HZ PHE 17 -8.084 11.000 4.328
146 HN2 ABA 18 HN AGL 18 -15.560 9.481 1.584
147 HA ABA 18 HA AGL 18 -16.312 9.719 4.276
148 HB3 ABA 18 HB2 AGL 18 -18.712 9.315 2.648
149 HB2 ABA 18 HB1 AGL 18 -17.521 10.110 1.611
150 HG3 ABA 18 HG AGL 18 -17.275 12.031 3.188
151 H LEU 19 HN LEU 19 -16.772 6.953 2.055
152 HA LEU 19 HA LEU 19 -18.402 5.473 3.835
153 HB2 LEU 19 HB1 LEU 19 -16.594 4.651 1.508
154 HB3 LEU 19 HB2 LEU 19 -17.610 3.476 2.401
155 HG LEU 19 HG LEU 19 -18.756 5.933 0.970
156 HD11 LEU 19 HD11 LEU 19 -17.631 4.441 -0.668
157 HD12 LEU 19 HD12 LEU 19 -19.426 4.341 -0.840
158 HD13 LEU 19 HD13 LEU 19 -18.522 3.016 -0.008
159 HD21 LEU 19 HD21 LEU 19 -20.071 3.363 2.070
160 HD22 LEU 19 HD22 LEU 19 -20.913 4.648 1.127
161 HD23 LEU 19 HD23 LEU 19 -20.247 5.020 2.758
162 H VAL 20 HN VAL 20 -14.773 5.378 3.397
163 HA VAL 20 HA VAL 20 -14.538 3.314 5.316
164 HB VAL 20 HB VAL 20 -12.152 3.726 5.411
165 HG11 VAL 20 HG11 VAL 20 -13.341 3.773 2.555
166 HG12 VAL 20 HG12 VAL 20 -11.724 3.155 3.037
167 HG13 VAL 20 HG13 VAL 20 -13.210 2.319 3.618
168 HG21 VAL 20 HG21 VAL 20 -12.065 6.231 5.207
169 HG22 VAL 20 HG22 VAL 20 -11.126 5.446 3.894
170 HG23 VAL 20 HG23 VAL 20 -12.756 6.117 3.543
171 H THR 21 HN THR 21 -14.248 6.885 5.749
172 HA THR 21 HA THR 21 -13.776 6.750 8.512
173 HB THR 21 HB THR 21 -15.205 9.009 7.055
174 HG1 THR 21 HG1 THR 21 -12.442 8.747 7.576
175 HG21 THR 21 HG21 THR 21 -14.107 10.402 8.854
176 HG22 THR 21 HG22 THR 21 -13.414 8.920 9.602
177 HG23 THR 21 HG23 THR 21 -15.191 9.183 9.611
178 H LYS 22 HN LYS 22 -16.710 6.386 6.660
179 HA LYS 22 HA LYS 22 -18.847 6.261 7.019
180 HB2 LYS 22 HB1 LYS 22 -18.191 5.334 9.849
181 HB3 LYS 22 HB2 LYS 22 -19.686 4.969 8.953
182 HG2 LYS 22 HG1 LYS 22 -18.642 3.415 7.504
183 HG3 LYS 22 HG2 LYS 22 -17.005 4.027 7.779
184 HD2 LYS 22 HD1 LYS 22 -18.676 2.398 9.773
185 HD3 LYS 22 HD2 LYS 22 -17.263 1.859 8.826
186 HE2 LYS 22 HE1 LYS 22 -17.331 3.734 11.259
187 HE3 LYS 22 HE2 LYS 22 -16.395 2.212 11.016
188 HZ1 LYS 22 HZ1 LYS 22 -15.920 4.919 9.935
189 HZ2 LYS 22 HZ2 LYS 22 -15.262 3.609 9.132
190 HZ3 LYS 22 HZ3 LYS 22 -14.847 3.904 10.751
191 H LYS 23 HN LYS 23 -17.525 8.855 7.942
192 HA LYS 23 HA LYS 23 -19.503 9.742 9.939
193 HB2 LYS 23 HB1 LYS 23 -17.083 10.092 10.300
194 HB3 LYS 23 HB2 LYS 23 -16.991 11.152 8.866
195 HG2 LYS 23 HG1 LYS 23 -19.006 11.764 11.083
196 HG3 LYS 23 HG2 LYS 23 -17.281 12.033 11.440
197 HD2 LYS 23 HD1 LYS 23 -16.991 13.774 9.958
198 HD3 LYS 23 HD2 LYS 23 -18.237 13.210 8.824
199 HE2 LYS 23 HE1 LYS 23 -18.819 14.588 11.539
200 HE3 LYS 23 HE2 LYS 23 -18.913 15.341 9.896
201 HZ1 LYS 23 HZ1 LYS 23 -20.701 13.400 11.169
202 HZ2 LYS 23 HZ2 LYS 23 -20.433 13.220 9.522
203 HZ3 LYS 23 HZ3 LYS 23 -21.054 14.685 10.113
204 HN2 ABA 24 HN AGL 24 -19.355 9.567 6.582
205 HA ABA 24 HA AGL 24 -20.838 12.039 6.097
206 HB3 ABA 24 HB2 AGL 24 -21.138 10.988 3.758
207 HB2 ABA 24 HB1 AGL 24 -20.089 9.645 4.315
208 HG3 ABA 24 HG AGL 24 -19.158 12.620 4.516
Start of MODEL 14
1 H1 PHE 1 HN PHE 1 -1.315 0.089 -1.989
2 HA PHE 1 HA PHE 1 0.939 -0.908 -2.198
3 HB2 PHE 1 HB1 PHE 1 -0.174 0.390 -4.783
4 HB3 PHE 1 HB2 PHE 1 0.946 -1.024 -4.728
5 HD1 PHE 1 HD1 PHE 1 0.120 -3.090 -3.344
6 HD2 PHE 1 HD2 PHE 1 -2.478 -0.001 -4.821
7 HE1 PHE 1 HE1 PHE 1 -1.809 -4.641 -3.201
8 HE2 PHE 1 HE2 PHE 1 -4.404 -1.553 -4.681
9 HZ PHE 1 HZ PHE 1 -4.070 -3.873 -3.874
10 H LEU 2 HN LEU 2 0.570 2.467 -3.224
11 HA LEU 2 HA LEU 2 3.405 2.875 -2.736
12 HB2 LEU 2 HB1 LEU 2 2.034 3.819 -5.336
13 HB3 LEU 2 HB2 LEU 2 3.617 4.411 -4.734
14 HG LEU 2 HG LEU 2 4.126 1.724 -4.746
15 HD11 LEU 2 HD11 LEU 2 3.245 0.732 -6.855
16 HD12 LEU 2 HD12 LEU 2 2.249 2.206 -7.158
17 HD13 LEU 2 HD13 LEU 2 1.891 1.149 -5.745
18 HD21 LEU 2 HD21 LEU 2 5.336 2.120 -6.885
19 HD22 LEU 2 HD22 LEU 2 5.547 3.500 -5.746
20 HD23 LEU 2 HD23 LEU 2 4.411 3.644 -7.145
21 HA PRO 3 HA PRO 3 1.199 5.906 -0.603
22 HB2 PRO 3 HB1 PRO 3 3.129 7.870 0.057
23 HB3 PRO 3 HB2 PRO 3 3.088 6.205 0.746
24 HG2 PRO 3 HG1 PRO 3 4.706 7.236 -1.661
25 HG3 PRO 3 HG2 PRO 3 5.330 6.290 -0.232
26 HD2 PRO 3 HD1 PRO 3 4.715 4.981 -2.560
27 HD3 PRO 3 HD2 PRO 3 4.218 4.277 -0.948
28 H ILE 4 HN ILE 4 2.869 7.208 -3.344
29 HA ILE 4 HA ILE 4 1.848 9.695 -3.745
30 HB ILE 4 HB ILE 4 2.266 7.634 -5.958
31 HG12 ILE 4 HG11 ILE 4 4.213 9.583 -4.616
32 HG13 ILE 4 HG12 ILE 4 4.240 7.812 -4.416
33 HG21 ILE 4 HG21 ILE 4 2.312 10.721 -5.931
34 HG22 ILE 4 HG22 ILE 4 2.634 9.690 -7.367
35 HG23 ILE 4 HG23 ILE 4 1.002 9.720 -6.659
36 HD11 ILE 4 HD1 ILE 4 4.794 9.344 -7.028
37 HD12 ILE 4 HD2 ILE 4 5.962 8.393 -6.050
38 HD13 ILE 4 HD3 ILE 4 4.624 7.557 -6.918
39 H LEU 5 HN LEU 5 0.296 6.832 -5.075
40 HA LEU 5 HA LEU 5 -1.967 8.188 -6.028
41 HB2 LEU 5 HB1 LEU 5 -2.895 5.984 -6.591
42 HB3 LEU 5 HB2 LEU 5 -1.167 6.169 -7.012
43 HG LEU 5 HG LEU 5 -0.741 5.014 -4.634
44 HD11 LEU 5 HD11 LEU 5 -3.539 3.932 -5.404
45 HD12 LEU 5 HD12 LEU 5 -3.154 4.874 -3.916
46 HD13 LEU 5 HD13 LEU 5 -2.434 3.242 -4.143
47 HD21 LEU 5 HD21 LEU 5 -1.679 3.461 -7.128
48 HD22 LEU 5 HD22 LEU 5 -0.650 2.821 -5.780
49 HD23 LEU 5 HD23 LEU 5 -0.022 4.130 -6.854
50 H ALA 6 HN ALA 6 -1.447 7.100 -2.757
51 HA ALA 6 HA ALA 6 -4.142 6.917 -1.954
52 HB1 ALA 6 HB1 ALA 6 -2.173 6.165 -0.594
53 HB2 ALA 6 HB2 ALA 6 -1.719 7.893 -0.349
54 HB3 ALA 6 HB3 ALA 6 -3.269 7.268 0.332
55 H SER 7 HN SER 7 -1.982 9.826 -2.017
56 HA SER 7 HA SER 7 -3.898 11.673 -1.128
57 HB2 SER 7 HB1 SER 7 -1.540 12.107 -3.046
58 HB3 SER 7 HB2 SER 7 -2.456 13.418 -2.204
59 HG SER 7 HG1 SER 7 -0.502 12.745 -1.123
60 H LEU 8 HN LEU 8 -3.132 10.518 -4.410
61 HA LEU 8 HA LEU 8 -4.906 12.222 -5.798
62 HB2 LEU 8 HB1 LEU 8 -2.944 10.864 -6.746
63 HB3 LEU 8 HB2 LEU 8 -3.946 9.402 -6.552
64 HG LEU 8 HG LEU 8 -5.667 10.502 -8.116
65 HD11 LEU 8 HD11 LEU 8 -3.320 12.440 -8.641
66 HD12 LEU 8 HD12 LEU 8 -4.901 12.891 -7.901
67 HD13 LEU 8 HD13 LEU 8 -4.829 12.326 -9.611
68 HD21 LEU 8 HD21 LEU 8 -2.844 9.965 -9.233
69 HD22 LEU 8 HD22 LEU 8 -4.382 9.936 -10.172
70 HD23 LEU 8 HD23 LEU 8 -4.102 8.719 -8.871
71 H ALA 9 HN ALA 9 -5.339 8.901 -4.506
72 HA ALA 9 HA ALA 9 -7.978 8.512 -5.298
73 HB1 ALA 9 HB1 ALA 9 -6.452 7.396 -2.865
74 HB2 ALA 9 HB2 ALA 9 -7.958 6.699 -3.568
75 HB3 ALA 9 HB3 ALA 9 -6.430 6.701 -4.519
76 H ALA 10 HN ALA 10 -6.742 9.981 -2.203
77 HA ALA 10 HA ALA 10 -9.307 10.437 -1.137
78 HB1 ALA 10 HB1 ALA 10 -8.124 12.111 0.314
79 HB2 ALA 10 HB2 ALA 10 -7.176 10.589 0.173
80 HB3 ALA 10 HB3 ALA 10 -6.693 12.030 -0.781
81 H LYS 11 HN LYS 11 -7.274 12.526 -3.218
82 HA LYS 11 HA LYS 11 -9.022 14.703 -3.312
83 HB2 LYS 11 HB1 LYS 11 -6.704 15.005 -3.813
84 HB3 LYS 11 HB2 LYS 11 -6.721 13.689 -5.019
85 HG2 LYS 11 HG1 LYS 11 -6.477 15.866 -6.133
86 HG3 LYS 11 HG2 LYS 11 -7.955 14.996 -6.617
87 HD2 LYS 11 HD1 LYS 11 -9.054 16.569 -4.650
88 HD3 LYS 11 HD2 LYS 11 -7.640 17.583 -5.011
89 HE2 LYS 11 HE1 LYS 11 -9.671 18.289 -6.316
90 HE3 LYS 11 HE2 LYS 11 -8.376 17.710 -7.440
91 HZ1 LYS 11 HZ1 LYS 11 -10.797 16.834 -7.703
92 HZ2 LYS 11 HZ2 LYS 11 -10.372 15.804 -6.427
93 HZ3 LYS 11 HZ3 LYS 11 -9.480 15.765 -7.854
94 H PHE 12 HN PHE 12 -8.905 11.887 -5.580
95 HA PHE 12 HA PHE 12 -11.229 13.087 -6.992
96 HB2 PHE 12 HB1 PHE 12 -9.077 11.068 -7.839
97 HB3 PHE 12 HB2 PHE 12 -10.582 11.331 -8.795
98 HD1 PHE 12 HD1 PHE 12 -7.297 12.654 -8.031
99 HD2 PHE 12 HD2 PHE 12 -11.151 13.598 -9.654
100 HE1 PHE 12 HE1 PHE 12 -6.325 14.627 -9.186
101 HE2 PHE 12 HE2 PHE 12 -10.186 15.565 -10.819
102 HZ PHE 12 HZ PHE 12 -7.772 16.083 -10.576
103 H GLY 13 HN GLY 13 -10.742 10.718 -4.603
104 HA2 GLY 13 HA1 GLY 13 -13.151 9.262 -5.537
105 HA3 GLY 13 HA2 GLY 13 -11.768 8.594 -4.625
106 HA PRO 14 HA PRO 14 -13.706 10.938 -1.154
107 HB2 PRO 14 HB1 PRO 14 -15.877 12.688 -1.402
108 HB3 PRO 14 HB2 PRO 14 -14.181 13.179 -1.767
109 HG2 PRO 14 HG1 PRO 14 -16.270 12.161 -3.782
110 HG3 PRO 14 HG2 PRO 14 -15.306 13.694 -3.862
111 HD2 PRO 14 HD1 PRO 14 -14.430 11.448 -5.180
112 HD3 PRO 14 HD2 PRO 14 -13.250 12.478 -4.254
113 H LYS 15 HN LYS 15 -15.641 9.348 -3.428
114 HA LYS 15 HA LYS 15 -17.840 8.483 -1.863
115 HB2 LYS 15 HB1 LYS 15 -17.546 8.153 -4.376
116 HB3 LYS 15 HB2 LYS 15 -16.244 6.962 -4.021
117 HG2 LYS 15 HG1 LYS 15 -18.048 5.662 -2.653
118 HG3 LYS 15 HG2 LYS 15 -19.266 6.698 -3.423
119 HD2 LYS 15 HD1 LYS 15 -17.238 4.847 -4.900
120 HD3 LYS 15 HD2 LYS 15 -18.868 4.386 -4.373
121 HE2 LYS 15 HE1 LYS 15 -19.197 4.796 -6.647
122 HE3 LYS 15 HE2 LYS 15 -19.832 6.288 -5.854
123 HZ1 LYS 15 HZ1 LYS 15 -17.697 7.346 -6.358
124 HZ2 LYS 15 HZ2 LYS 15 -18.461 6.783 -7.766
125 HZ3 LYS 15 HZ3 LYS 15 -17.151 5.930 -7.121
126 H LEU 16 HN LEU 16 -14.470 7.195 -2.163
127 HA LEU 16 HA LEU 16 -14.928 5.020 -0.356
128 HB2 LEU 16 HB1 LEU 16 -12.347 6.367 -1.349
129 HB3 LEU 16 HB2 LEU 16 -12.408 4.849 -0.397
130 HG LEU 16 HG LEU 16 -13.618 5.232 -3.201
131 HD11 LEU 16 HD11 LEU 16 -11.720 3.793 -3.956
132 HD12 LEU 16 HD12 LEU 16 -11.064 3.768 -2.279
133 HD13 LEU 16 HD13 LEU 16 -11.121 5.318 -3.199
134 HD21 LEU 16 HD21 LEU 16 -13.807 2.712 -3.171
135 HD22 LEU 16 HD22 LEU 16 -14.861 3.477 -1.925
136 HD23 LEU 16 HD23 LEU 16 -13.300 2.709 -1.445
137 H PHE 17 HN PHE 17 -13.623 8.322 -0.073
138 HA PHE 17 HA PHE 17 -12.658 8.119 2.515
139 HB2 PHE 17 HB1 PHE 17 -12.496 9.985 0.569
140 HB3 PHE 17 HB2 PHE 17 -13.812 10.772 1.508
141 HD1 PHE 17 HD1 PHE 17 -13.335 11.104 4.077
142 HD2 PHE 17 HD2 PHE 17 -10.280 10.140 1.207
143 HE1 PHE 17 HE1 PHE 17 -11.608 11.941 5.632
144 HE2 PHE 17 HE2 PHE 17 -8.551 10.981 2.768
145 HZ PHE 17 HZ PHE 17 -9.213 11.888 4.980
146 HN2 ABA 18 HN AGL 18 -15.945 9.143 1.436
147 HA ABA 18 HA AGL 18 -17.029 9.581 3.982
148 HB3 ABA 18 HB2 AGL 18 -18.214 8.670 1.303
149 HB2 ABA 18 HB1 AGL 18 -18.131 10.329 1.923
150 HG3 ABA 18 HG AGL 18 -20.137 8.119 2.620
151 H LEU 19 HN LEU 19 -16.798 6.490 2.121
152 HA LEU 19 HA LEU 19 -18.257 4.999 4.041
153 HB2 LEU 19 HB1 LEU 19 -16.279 4.152 1.864
154 HB3 LEU 19 HB2 LEU 19 -17.275 2.999 2.809
155 HG LEU 19 HG LEU 19 -18.441 5.232 1.050
156 HD11 LEU 19 HD11 LEU 19 -18.958 3.423 -0.586
157 HD12 LEU 19 HD12 LEU 19 -18.081 2.232 0.447
158 HD13 LEU 19 HD13 LEU 19 -17.179 3.591 -0.325
159 HD21 LEU 19 HD21 LEU 19 -20.565 3.906 1.242
160 HD22 LEU 19 HD22 LEU 19 -20.013 4.512 2.843
161 HD23 LEU 19 HD23 LEU 19 -19.753 2.785 2.395
162 H VAL 20 HN VAL 20 -14.653 5.371 3.645
163 HA VAL 20 HA VAL 20 -14.173 3.541 5.754
164 HB VAL 20 HB VAL 20 -11.859 4.219 5.764
165 HG11 VAL 20 HG11 VAL 20 -12.760 2.570 4.095
166 HG12 VAL 20 HG12 VAL 20 -13.043 3.913 2.924
167 HG13 VAL 20 HG13 VAL 20 -11.370 3.511 3.442
168 HG21 VAL 20 HG21 VAL 20 -12.753 6.402 3.766
169 HG22 VAL 20 HG22 VAL 20 -12.025 6.681 5.390
170 HG23 VAL 20 HG23 VAL 20 -11.048 5.927 4.088
171 H THR 21 HN THR 21 -14.360 7.143 5.832
172 HA THR 21 HA THR 21 -13.787 7.163 8.646
173 HB THR 21 HB THR 21 -14.970 9.433 6.991
174 HG1 THR 21 HG1 THR 21 -12.248 8.861 7.480
175 HG21 THR 21 HG21 THR 21 -13.147 9.363 9.515
176 HG22 THR 21 HG22 THR 21 -14.878 9.857 9.502
177 HG23 THR 21 HG23 THR 21 -13.658 10.844 8.628
178 H LYS 22 HN LYS 22 -16.587 6.507 6.842
179 HA LYS 22 HA LYS 22 -18.747 6.322 7.158
180 HB2 LYS 22 HB1 LYS 22 -17.918 5.899 10.080
181 HB3 LYS 22 HB2 LYS 22 -19.461 5.347 9.381
182 HG2 LYS 22 HG1 LYS 22 -18.494 3.606 8.150
183 HG3 LYS 22 HG2 LYS 22 -16.867 4.330 8.113
184 HD2 LYS 22 HD1 LYS 22 -18.142 3.301 10.705
185 HD3 LYS 22 HD2 LYS 22 -17.122 2.301 9.608
186 HE2 LYS 22 HE1 LYS 22 -15.204 3.904 9.857
187 HE3 LYS 22 HE2 LYS 22 -16.186 4.925 10.982
188 HZ1 LYS 22 HZ1 LYS 22 -16.351 3.027 12.465
189 HZ2 LYS 22 HZ2 LYS 22 -14.729 3.432 12.156
190 HZ3 LYS 22 HZ3 LYS 22 -15.424 2.077 11.403
191 H LYS 23 HN LYS 23 -17.724 9.129 7.607
192 HA LYS 23 HA LYS 23 -19.793 10.100 9.506
193 HB2 LYS 23 HB1 LYS 23 -17.004 10.318 9.554
194 HB3 LYS 23 HB2 LYS 23 -17.497 11.922 8.952
195 HG2 LYS 23 HG1 LYS 23 -18.438 10.505 11.536
196 HG3 LYS 23 HG2 LYS 23 -17.204 11.796 11.430
197 HD2 LYS 23 HD1 LYS 23 -18.959 13.369 10.518
198 HD3 LYS 23 HD2 LYS 23 -20.191 12.087 10.741
199 HE2 LYS 23 HE1 LYS 23 -19.714 12.063 13.233
200 HE3 LYS 23 HE2 LYS 23 -18.514 13.400 12.997
201 HZ1 LYS 23 HZ1 LYS 23 -20.306 14.752 12.090
202 HZ2 LYS 23 HZ2 LYS 23 -20.665 14.239 13.667
203 HZ3 LYS 23 HZ3 LYS 23 -21.421 13.502 12.339
204 HN2 ABA 24 HN AGL 24 -19.510 9.957 6.203
205 HA ABA 24 HA AGL 24 -19.982 12.738 5.636
206 HB3 ABA 24 HB2 AGL 24 -18.799 11.424 3.993
207 HB2 ABA 24 HB1 AGL 24 -20.304 12.094 3.314
208 HG3 ABA 24 HG AGL 24 -21.361 9.655 3.946
Start of MODEL 15
1 H1 PHE 1 HN PHE 1 1.306 -0.185 -0.926
2 HA PHE 1 HA PHE 1 3.954 0.150 -1.703
3 HB2 PHE 1 HB1 PHE 1 2.225 -1.766 -3.391
4 HB3 PHE 1 HB2 PHE 1 3.628 -0.893 -4.108
5 HD1 PHE 1 HD1 PHE 1 5.919 -1.217 -3.174
6 HD2 PHE 1 HD2 PHE 1 2.609 -3.680 -1.991
7 HE1 PHE 1 HE1 PHE 1 7.499 -2.933 -2.343
8 HE2 PHE 1 HE2 PHE 1 4.182 -5.405 -1.165
9 HZ PHE 1 HZ PHE 1 6.636 -5.036 -1.351
10 H LEU 2 HN LEU 2 3.848 1.218 -4.031
11 HA LEU 2 HA LEU 2 3.391 3.089 -5.079
12 HB2 LEU 2 HB1 LEU 2 1.854 1.259 -5.957
13 HB3 LEU 2 HB2 LEU 2 0.528 2.068 -5.087
14 HG LEU 2 HG LEU 2 1.007 4.162 -6.492
15 HD11 LEU 2 HD11 LEU 2 2.305 3.840 -8.624
16 HD12 LEU 2 HD12 LEU 2 2.841 2.224 -8.056
17 HD13 LEU 2 HD13 LEU 2 3.379 3.722 -7.189
18 HD21 LEU 2 HD21 LEU 2 -0.091 3.248 -8.532
19 HD22 LEU 2 HD22 LEU 2 -0.814 2.552 -7.036
20 HD23 LEU 2 HD23 LEU 2 0.335 1.574 -8.024
21 HA PRO 3 HA PRO 3 1.319 4.933 -1.351
22 HB2 PRO 3 HB1 PRO 3 3.258 6.679 -0.286
23 HB3 PRO 3 HB2 PRO 3 3.283 4.895 -0.037
24 HG2 PRO 3 HG1 PRO 3 4.754 6.478 -2.223
25 HG3 PRO 3 HG2 PRO 3 5.467 5.291 -1.051
26 HD2 PRO 3 HD1 PRO 3 4.748 4.474 -3.571
27 HD3 PRO 3 HD2 PRO 3 4.320 3.433 -2.133
28 H ILE 4 HN ILE 4 2.597 6.578 -4.007
29 HA ILE 4 HA ILE 4 1.622 9.120 -3.996
30 HB ILE 4 HB ILE 4 1.433 7.163 -6.322
31 HG12 ILE 4 HG11 ILE 4 3.715 7.012 -5.496
32 HG13 ILE 4 HG12 ILE 4 3.668 7.979 -6.990
33 HG21 ILE 4 HG21 ILE 4 1.609 10.250 -6.151
34 HG22 ILE 4 HG22 ILE 4 1.732 9.295 -7.670
35 HG23 ILE 4 HG23 ILE 4 0.203 9.285 -6.732
36 HD11 ILE 4 HD1 ILE 4 5.232 9.014 -5.366
37 HD12 ILE 4 HD2 ILE 4 3.835 10.109 -5.635
38 HD13 ILE 4 HD3 ILE 4 3.936 9.131 -4.125
39 H LEU 5 HN LEU 5 -0.324 6.240 -5.016
40 HA LEU 5 HA LEU 5 -2.455 7.785 -5.832
41 HB2 LEU 5 HB1 LEU 5 -3.514 5.927 -6.529
42 HB3 LEU 5 HB2 LEU 5 -1.839 5.320 -6.465
43 HG LEU 5 HG LEU 5 -4.030 4.845 -4.332
44 HD11 LEU 5 HD11 LEU 5 -2.980 2.985 -6.545
45 HD12 LEU 5 HD12 LEU 5 -4.597 3.786 -6.501
46 HD13 LEU 5 HD13 LEU 5 -4.168 2.551 -5.260
47 HD21 LEU 5 HD21 LEU 5 -1.304 3.448 -4.673
48 HD22 LEU 5 HD22 LEU 5 -2.553 3.067 -3.440
49 HD23 LEU 5 HD23 LEU 5 -1.682 4.640 -3.377
50 H ALA 6 HN ALA 6 -1.824 6.780 -2.546
51 HA ALA 6 HA ALA 6 -4.421 6.971 -1.510
52 HB1 ALA 6 HB1 ALA 6 -1.695 7.690 -0.258
53 HB2 ALA 6 HB2 ALA 6 -3.221 7.399 0.663
54 HB3 ALA 6 HB3 ALA 6 -2.453 6.060 -0.261
55 H SER 7 HN SER 7 -2.020 9.532 -2.198
56 HA SER 7 HA SER 7 -3.548 11.683 -1.104
57 HB2 SER 7 HB1 SER 7 -1.348 11.677 -3.257
58 HB3 SER 7 HB2 SER 7 -2.078 13.165 -2.553
59 HG SER 7 HG1 SER 7 -0.477 11.216 -1.284
60 H LEU 8 HN LEU 8 -3.355 10.223 -4.342
61 HA LEU 8 HA LEU 8 -5.058 12.060 -5.664
62 HB2 LEU 8 HB1 LEU 8 -3.389 10.454 -6.728
63 HB3 LEU 8 HB2 LEU 8 -4.447 9.098 -6.243
64 HG LEU 8 HG LEU 8 -6.292 10.162 -7.700
65 HD11 LEU 8 HD11 LEU 8 -3.902 11.801 -8.778
66 HD12 LEU 8 HD12 LEU 8 -5.303 12.489 -7.873
67 HD13 LEU 8 HD13 LEU 8 -5.554 11.730 -9.485
68 HD21 LEU 8 HD21 LEU 8 -3.671 9.275 -9.063
69 HD22 LEU 8 HD22 LEU 8 -5.313 9.246 -9.798
70 HD23 LEU 8 HD23 LEU 8 -4.940 8.178 -8.396
71 H ALA 9 HN ALA 9 -5.696 8.838 -4.177
72 HA ALA 9 HA ALA 9 -8.408 8.686 -4.674
73 HB1 ALA 9 HB1 ALA 9 -6.939 6.782 -3.962
74 HB2 ALA 9 HB2 ALA 9 -6.747 7.540 -2.344
75 HB3 ALA 9 HB3 ALA 9 -8.366 6.932 -2.871
76 H ALA 10 HN ALA 10 -6.719 10.260 -1.942
77 HA ALA 10 HA ALA 10 -9.054 10.859 -0.485
78 HB1 ALA 10 HB1 ALA 10 -6.299 12.226 -0.544
79 HB2 ALA 10 HB2 ALA 10 -7.535 12.382 0.780
80 HB3 ALA 10 HB3 ALA 10 -6.739 10.800 0.457
81 H LYS 11 HN LYS 11 -8.030 12.230 -3.481
82 HA LYS 11 HA LYS 11 -9.737 14.626 -3.004
83 HB2 LYS 11 HB1 LYS 11 -7.210 14.159 -4.614
84 HB3 LYS 11 HB2 LYS 11 -8.435 15.252 -5.321
85 HG2 LYS 11 HG1 LYS 11 -6.770 16.557 -4.114
86 HG3 LYS 11 HG2 LYS 11 -8.404 16.734 -3.399
87 HD2 LYS 11 HD1 LYS 11 -7.797 15.066 -1.630
88 HD3 LYS 11 HD2 LYS 11 -6.135 14.950 -2.302
89 HE2 LYS 11 HE1 LYS 11 -5.720 17.340 -1.655
90 HE3 LYS 11 HE2 LYS 11 -7.466 17.535 -1.204
91 HZ1 LYS 11 HZ1 LYS 11 -7.176 15.788 0.428
92 HZ2 LYS 11 HZ2 LYS 11 -6.134 17.092 0.744
93 HZ3 LYS 11 HZ3 LYS 11 -5.533 15.655 0.055
94 H PHE 12 HN PHE 12 -8.990 12.018 -5.403
95 HA PHE 12 HA PHE 12 -11.352 12.825 -6.922
96 HB2 PHE 12 HB1 PHE 12 -9.020 10.870 -7.413
97 HB3 PHE 12 HB2 PHE 12 -10.439 10.988 -8.519
98 HD1 PHE 12 HD1 PHE 12 -7.556 12.929 -7.110
99 HD2 PHE 12 HD2 PHE 12 -10.706 12.778 -10.027
100 HE1 PHE 12 HE1 PHE 12 -6.553 14.860 -8.294
101 HE2 PHE 12 HE2 PHE 12 -9.694 14.695 -11.218
102 HZ PHE 12 HZ PHE 12 -7.622 15.742 -10.353
103 H GLY 13 HN GLY 13 -10.827 10.771 -4.308
104 HA2 GLY 13 HA1 GLY 13 -13.138 9.082 -5.096
105 HA3 GLY 13 HA2 GLY 13 -11.778 8.594 -4.038
106 HA PRO 14 HA PRO 14 -13.971 11.336 -0.967
107 HB2 PRO 14 HB1 PRO 14 -16.123 13.005 -1.604
108 HB3 PRO 14 HB2 PRO 14 -14.402 13.498 -1.837
109 HG2 PRO 14 HG1 PRO 14 -16.266 12.283 -3.957
110 HG3 PRO 14 HG2 PRO 14 -15.277 13.797 -4.073
111 HD2 PRO 14 HD1 PRO 14 -14.322 11.419 -5.072
112 HD3 PRO 14 HD2 PRO 14 -13.221 12.564 -4.192
113 H LYS 15 HN LYS 15 -15.907 9.854 -3.403
114 HA LYS 15 HA LYS 15 -18.124 8.919 -1.981
115 HB2 LYS 15 HB1 LYS 15 -17.814 8.859 -4.449
116 HB3 LYS 15 HB2 LYS 15 -16.441 7.722 -4.270
117 HG2 LYS 15 HG1 LYS 15 -18.002 5.934 -3.475
118 HG3 LYS 15 HG2 LYS 15 -19.350 7.106 -3.464
119 HD2 LYS 15 HD1 LYS 15 -19.565 5.733 -5.439
120 HD3 LYS 15 HD2 LYS 15 -19.157 7.408 -5.933
121 HE2 LYS 15 HE1 LYS 15 -16.743 6.681 -6.319
122 HE3 LYS 15 HE2 LYS 15 -17.199 4.998 -5.838
123 HZ1 LYS 15 HZ1 LYS 15 -17.185 5.292 -8.230
124 HZ2 LYS 15 HZ2 LYS 15 -18.322 6.536 -8.141
125 HZ3 LYS 15 HZ3 LYS 15 -18.756 4.961 -7.700
126 H LEU 16 HN LEU 16 -14.817 7.450 -2.259
127 HA LEU 16 HA LEU 16 -15.504 5.270 -0.491
128 HB2 LEU 16 HB1 LEU 16 -12.820 6.358 -1.520
129 HB3 LEU 16 HB2 LEU 16 -12.984 4.903 -0.489
130 HG LEU 16 HG LEU 16 -14.230 5.199 -3.283
131 HD11 LEU 16 HD11 LEU 16 -12.415 3.633 -4.005
132 HD12 LEU 16 HD12 LEU 16 -11.708 3.685 -2.351
133 HD13 LEU 16 HD13 LEU 16 -11.732 5.175 -3.364
134 HD21 LEU 16 HD21 LEU 16 -14.520 2.693 -3.096
135 HD22 LEU 16 HD22 LEU 16 -15.497 3.572 -1.864
136 HD23 LEU 16 HD23 LEU 16 -13.952 2.770 -1.393
137 H PHE 17 HN PHE 17 -13.878 8.428 -0.217
138 HA PHE 17 HA PHE 17 -12.807 8.081 2.283
139 HB2 PHE 17 HB1 PHE 17 -12.588 9.945 0.339
140 HB3 PHE 17 HB2 PHE 17 -13.724 10.864 1.384
141 HD1 PHE 17 HD1 PHE 17 -12.879 11.821 3.463
142 HD2 PHE 17 HD2 PHE 17 -10.437 9.122 1.180
143 HE1 PHE 17 HE1 PHE 17 -10.913 12.426 4.846
144 HE2 PHE 17 HE2 PHE 17 -8.473 9.724 2.563
145 HZ PHE 17 HZ PHE 17 -8.710 11.378 4.399
146 HN2 ABA 18 HN AGL 18 -16.039 9.522 1.528
147 HA ABA 18 HA AGL 18 -16.755 9.872 4.257
148 HB3 ABA 18 HB2 AGL 18 -19.209 9.518 3.056
149 HB2 ABA 18 HB1 AGL 18 -18.227 9.768 1.599
150 HG3 ABA 18 HG AGL 18 -17.393 12.009 2.541
151 H LEU 19 HN LEU 19 -17.252 7.019 2.096
152 HA LEU 19 HA LEU 19 -18.803 5.635 4.008
153 HB2 LEU 19 HB1 LEU 19 -17.174 4.650 1.614
154 HB3 LEU 19 HB2 LEU 19 -18.273 3.599 2.568
155 HG LEU 19 HG LEU 19 -19.154 6.115 1.040
156 HD11 LEU 19 HD11 LEU 19 -20.162 4.527 -0.588
157 HD12 LEU 19 HD12 LEU 19 -19.459 3.132 0.317
158 HD13 LEU 19 HD13 LEU 19 -18.372 4.325 -0.497
159 HD21 LEU 19 HD21 LEU 19 -20.688 5.636 2.943
160 HD22 LEU 19 HD22 LEU 19 -20.800 3.906 2.436
161 HD23 LEU 19 HD23 LEU 19 -21.471 5.205 1.385
162 H VAL 20 HN VAL 20 -15.232 5.511 3.416
163 HA VAL 20 HA VAL 20 -14.858 3.516 5.390
164 HB VAL 20 HB VAL 20 -13.267 3.922 3.598
165 HG11 VAL 20 HG11 VAL 20 -11.568 5.681 3.774
166 HG12 VAL 20 HG12 VAL 20 -13.192 6.453 3.705
167 HG13 VAL 20 HG13 VAL 20 -12.299 6.333 5.273
168 HG21 VAL 20 HG21 VAL 20 -11.280 3.441 5.016
169 HG22 VAL 20 HG22 VAL 20 -12.128 4.051 6.474
170 HG23 VAL 20 HG23 VAL 20 -12.722 2.564 5.639
171 H THR 21 HN THR 21 -14.704 7.100 5.638
172 HA THR 21 HA THR 21 -13.878 6.922 8.393
173 HB THR 21 HB THR 21 -14.670 9.537 7.053
174 HG1 THR 21 HG1 THR 21 -13.397 8.754 5.519
175 HG21 THR 21 HG21 THR 21 -12.371 8.638 8.937
176 HG22 THR 21 HG22 THR 21 -13.828 9.559 9.460
177 HG23 THR 21 HG23 THR 21 -12.639 10.310 8.340
178 H LYS 22 HN LYS 22 -16.870 6.750 6.991
179 HA LYS 22 HA LYS 22 -18.992 6.966 7.564
180 HB2 LYS 22 HB1 LYS 22 -18.017 6.932 10.471
181 HB3 LYS 22 HB2 LYS 22 -19.613 6.384 9.885
182 HG2 LYS 22 HG1 LYS 22 -16.891 5.065 9.267
183 HG3 LYS 22 HG2 LYS 22 -18.010 4.570 10.561
184 HD2 LYS 22 HD1 LYS 22 -19.769 3.960 8.990
185 HD3 LYS 22 HD2 LYS 22 -18.840 4.567 7.590
186 HE2 LYS 22 HE1 LYS 22 -17.918 2.235 9.423
187 HE3 LYS 22 HE2 LYS 22 -18.766 2.036 7.834
188 HZ1 LYS 22 HZ1 LYS 22 -17.003 3.263 6.789
189 HZ2 LYS 22 HZ2 LYS 22 -16.351 1.913 7.598
190 HZ3 LYS 22 HZ3 LYS 22 -16.175 3.479 8.216
191 H LYS 23 HN LYS 23 -17.471 9.643 7.530
192 HA LYS 23 HA LYS 23 -18.942 11.068 9.639
193 HB2 LYS 23 HB1 LYS 23 -16.418 10.977 9.328
194 HB3 LYS 23 HB2 LYS 23 -16.595 12.119 7.973
195 HG2 LYS 23 HG1 LYS 23 -17.752 12.647 10.794
196 HG3 LYS 23 HG2 LYS 23 -16.025 12.889 10.467
197 HD2 LYS 23 HD1 LYS 23 -16.261 14.822 9.347
198 HD3 LYS 23 HD2 LYS 23 -17.665 14.271 8.413
199 HE2 LYS 23 HE1 LYS 23 -17.767 15.354 11.322
200 HE3 LYS 23 HE2 LYS 23 -18.250 16.229 9.813
201 HZ1 LYS 23 HZ1 LYS 23 -19.554 13.918 11.120
202 HZ2 LYS 23 HZ2 LYS 23 -19.746 14.185 9.473
203 HZ3 LYS 23 HZ3 LYS 23 -20.239 15.375 10.580
204 HN2 ABA 24 HN AGL 24 -19.395 10.573 6.325
205 HA ABA 24 HA AGL 24 -20.466 13.220 5.750
206 HB3 ABA 24 HB2 AGL 24 -21.336 12.053 3.629
207 HB2 ABA 24 HB1 AGL 24 -20.566 10.555 4.217
208 HG3 ABA 24 HG AGL 24 -19.052 13.259 3.706
Start of MODEL 16
1 H1 PHE 1 HN PHE 1 1.846 -0.308 -1.987
2 HA PHE 1 HA PHE 1 4.060 0.188 -0.454
3 HB2 PHE 1 HB1 PHE 1 4.663 -1.100 -3.192
4 HB3 PHE 1 HB2 PHE 1 5.856 -0.003 -2.404
5 HD1 PHE 1 HD1 PHE 1 7.214 -0.726 -0.607
6 HD2 PHE 1 HD2 PHE 1 3.991 -3.218 -1.964
7 HE1 PHE 1 HE1 PHE 1 8.091 -2.596 0.754
8 HE2 PHE 1 HE2 PHE 1 4.865 -5.092 -0.596
9 HZ PHE 1 HZ PHE 1 6.919 -4.781 0.764
10 H LEU 2 HN LEU 2 5.409 1.974 -1.673
11 HA LEU 2 HA LEU 2 5.080 4.209 -1.935
12 HB2 LEU 2 HB1 LEU 2 6.521 3.016 -3.582
13 HB3 LEU 2 HB2 LEU 2 5.163 3.066 -4.738
14 HG LEU 2 HG LEU 2 5.222 5.589 -4.652
15 HD11 LEU 2 HD11 LEU 2 6.229 5.985 -2.402
16 HD12 LEU 2 HD12 LEU 2 7.249 6.728 -3.681
17 HD13 LEU 2 HD13 LEU 2 7.755 5.172 -2.927
18 HD21 LEU 2 HD21 LEU 2 7.901 4.246 -5.375
19 HD22 LEU 2 HD22 LEU 2 7.304 5.835 -5.991
20 HD23 LEU 2 HD23 LEU 2 6.429 4.317 -6.414
21 HA PRO 3 HA PRO 3 0.755 4.268 -3.075
22 HB2 PRO 3 HB1 PRO 3 -0.467 5.250 -0.836
23 HB3 PRO 3 HB2 PRO 3 0.483 3.719 -0.792
24 HG2 PRO 3 HG1 PRO 3 1.508 6.529 -0.069
25 HG3 PRO 3 HG2 PRO 3 1.515 5.052 0.984
26 HD2 PRO 3 HD1 PRO 3 3.713 5.711 -0.556
27 HD3 PRO 3 HD2 PRO 3 3.165 3.977 -0.385
28 H ILE 4 HN ILE 4 1.984 6.066 -4.487
29 HA ILE 4 HA ILE 4 1.312 8.710 -4.604
30 HB ILE 4 HB ILE 4 1.234 6.716 -6.921
31 HG12 ILE 4 HG11 ILE 4 3.590 8.358 -5.821
32 HG13 ILE 4 HG12 ILE 4 3.364 6.594 -5.581
33 HG21 ILE 4 HG21 ILE 4 0.209 8.965 -7.489
34 HG22 ILE 4 HG22 ILE 4 1.680 9.787 -6.849
35 HG23 ILE 4 HG23 ILE 4 1.774 8.749 -8.316
36 HD11 ILE 4 HD1 ILE 4 3.812 7.977 -8.299
37 HD12 ILE 4 HD2 ILE 4 4.943 6.901 -7.415
38 HD13 ILE 4 HD3 ILE 4 3.404 6.239 -8.084
39 H LEU 5 HN LEU 5 -0.682 6.137 -6.098
40 HA LEU 5 HA LEU 5 -2.839 7.735 -6.701
41 HB2 LEU 5 HB1 LEU 5 -4.021 5.655 -7.242
42 HB3 LEU 5 HB2 LEU 5 -2.344 5.668 -7.833
43 HG LEU 5 HG LEU 5 -1.822 4.327 -5.569
44 HD11 LEU 5 HD11 LEU 5 -4.152 4.406 -4.592
45 HD12 LEU 5 HD12 LEU 5 -3.676 2.724 -5.018
46 HD13 LEU 5 HD13 LEU 5 -4.792 3.638 -6.091
47 HD21 LEU 5 HD21 LEU 5 -1.451 3.511 -7.899
48 HD22 LEU 5 HD22 LEU 5 -3.195 3.078 -8.029
49 HD23 LEU 5 HD23 LEU 5 -2.140 2.215 -6.853
50 H ALA 6 HN ALA 6 -2.149 6.402 -3.500
51 HA ALA 6 HA ALA 6 -4.817 6.424 -2.551
52 HB1 ALA 6 HB1 ALA 6 -2.180 6.864 -1.025
53 HB2 ALA 6 HB2 ALA 6 -3.770 6.432 -0.294
54 HB3 ALA 6 HB3 ALA 6 -2.931 5.263 -1.374
55 H SER 7 HN SER 7 -2.317 8.953 -2.728
56 HA SER 7 HA SER 7 -3.790 11.001 -1.412
57 HB2 SER 7 HB1 SER 7 -1.611 11.258 -3.581
58 HB3 SER 7 HB2 SER 7 -2.233 12.598 -2.551
59 HG SER 7 HG1 SER 7 -0.752 10.312 -1.750
60 H LEU 8 HN LEU 8 -3.545 10.010 -4.829
61 HA LEU 8 HA LEU 8 -5.187 12.041 -5.901
62 HB2 LEU 8 HB1 LEU 8 -3.531 10.473 -7.115
63 HB3 LEU 8 HB2 LEU 8 -4.744 9.175 -6.928
64 HG LEU 8 HG LEU 8 -6.382 10.709 -8.231
65 HD11 LEU 8 HD11 LEU 8 -3.742 12.162 -8.928
66 HD12 LEU 8 HD12 LEU 8 -5.095 12.871 -7.966
67 HD13 LEU 8 HD13 LEU 8 -5.345 12.436 -9.698
68 HD21 LEU 8 HD21 LEU 8 -5.281 8.707 -9.226
69 HD22 LEU 8 HD22 LEU 8 -3.837 9.702 -9.654
70 HD23 LEU 8 HD23 LEU 8 -5.426 10.039 -10.429
71 H ALA 9 HN ALA 9 -5.952 8.684 -4.847
72 HA ALA 9 HA ALA 9 -8.668 8.710 -5.396
73 HB1 ALA 9 HB1 ALA 9 -8.724 6.719 -3.870
74 HB2 ALA 9 HB2 ALA 9 -7.297 6.658 -4.968
75 HB3 ALA 9 HB3 ALA 9 -7.084 7.162 -3.255
76 H ALA 10 HN ALA 10 -6.983 9.664 -2.328
77 HA ALA 10 HA ALA 10 -9.339 10.263 -0.926
78 HB1 ALA 10 HB1 ALA 10 -7.068 10.029 0.111
79 HB2 ALA 10 HB2 ALA 10 -6.532 11.523 -0.732
80 HB3 ALA 10 HB3 ALA 10 -7.816 11.612 0.539
81 H LYS 11 HN LYS 11 -7.344 12.359 -3.059
82 HA LYS 11 HA LYS 11 -8.907 14.674 -2.661
83 HB2 LYS 11 HB1 LYS 11 -6.582 14.733 -3.446
84 HB3 LYS 11 HB2 LYS 11 -7.021 13.841 -4.931
85 HG2 LYS 11 HG1 LYS 11 -8.354 15.703 -5.768
86 HG3 LYS 11 HG2 LYS 11 -8.234 16.567 -4.194
87 HD2 LYS 11 HD1 LYS 11 -5.816 16.957 -4.541
88 HD3 LYS 11 HD2 LYS 11 -5.799 15.868 -5.956
89 HE2 LYS 11 HE1 LYS 11 -5.746 18.327 -6.604
90 HE3 LYS 11 HE2 LYS 11 -7.133 17.407 -7.315
91 HZ1 LYS 11 HZ1 LYS 11 -7.845 19.515 -6.417
92 HZ2 LYS 11 HZ2 LYS 11 -7.257 19.106 -4.872
93 HZ3 LYS 11 HZ3 LYS 11 -8.529 18.221 -5.558
94 H PHE 12 HN PHE 12 -9.116 12.226 -5.319
95 HA PHE 12 HA PHE 12 -11.370 13.776 -6.431
96 HB2 PHE 12 HB1 PHE 12 -9.503 11.616 -7.575
97 HB3 PHE 12 HB2 PHE 12 -10.962 12.210 -8.452
98 HD1 PHE 12 HD1 PHE 12 -7.506 12.938 -7.633
99 HD2 PHE 12 HD2 PHE 12 -11.205 14.635 -8.982
100 HE1 PHE 12 HE1 PHE 12 -6.264 14.833 -8.651
101 HE2 PHE 12 HE2 PHE 12 -9.976 16.531 -9.993
102 HZ PHE 12 HZ PHE 12 -7.501 16.622 -9.849
103 H GLY 13 HN GLY 13 -11.000 11.045 -4.415
104 HA2 GLY 13 HA1 GLY 13 -13.610 9.971 -5.314
105 HA3 GLY 13 HA2 GLY 13 -12.295 9.092 -4.478
106 HA PRO 14 HA PRO 14 -13.704 11.377 -0.789
107 HB2 PRO 14 HB1 PRO 14 -15.506 13.515 -0.722
108 HB3 PRO 14 HB2 PRO 14 -13.773 13.719 -1.181
109 HG2 PRO 14 HG1 PRO 14 -16.139 13.299 -3.103
110 HG3 PRO 14 HG2 PRO 14 -14.908 14.634 -3.127
111 HD2 PRO 14 HD1 PRO 14 -14.542 12.404 -4.691
112 HD3 PRO 14 HD2 PRO 14 -13.145 13.118 -3.768
113 H LYS 15 HN LYS 15 -16.079 10.484 -3.079
114 HA LYS 15 HA LYS 15 -18.285 9.891 -1.404
115 HB2 LYS 15 HB1 LYS 15 -17.250 8.415 -3.908
116 HB3 LYS 15 HB2 LYS 15 -18.885 8.226 -3.200
117 HG2 LYS 15 HG1 LYS 15 -19.431 10.584 -3.746
118 HG3 LYS 15 HG2 LYS 15 -17.779 10.852 -4.388
119 HD2 LYS 15 HD1 LYS 15 -18.150 9.067 -6.110
120 HD3 LYS 15 HD2 LYS 15 -19.824 8.833 -5.504
121 HE2 LYS 15 HE1 LYS 15 -20.418 11.183 -6.165
122 HE3 LYS 15 HE2 LYS 15 -18.718 11.474 -6.707
123 HZ1 LYS 15 HZ1 LYS 15 -18.997 9.742 -8.362
124 HZ2 LYS 15 HZ2 LYS 15 -20.179 10.935 -8.545
125 HZ3 LYS 15 HZ3 LYS 15 -20.585 9.444 -7.854
126 H LEU 16 HN LEU 16 -15.357 7.965 -2.275
127 HA LEU 16 HA LEU 16 -16.104 5.696 -0.707
128 HB2 LEU 16 HB1 LEU 16 -13.389 6.622 -1.818
129 HB3 LEU 16 HB2 LEU 16 -13.706 5.013 -1.098
130 HG LEU 16 HG LEU 16 -15.046 6.111 -3.641
131 HD11 LEU 16 HD11 LEU 16 -13.594 4.476 -4.839
132 HD12 LEU 16 HD12 LEU 16 -12.806 4.023 -3.284
133 HD13 LEU 16 HD13 LEU 16 -12.605 5.689 -3.942
134 HD21 LEU 16 HD21 LEU 16 -15.791 3.725 -3.966
135 HD22 LEU 16 HD22 LEU 16 -16.525 4.457 -2.494
136 HD23 LEU 16 HD23 LEU 16 -15.139 3.311 -2.341
137 H PHE 17 HN PHE 17 -14.045 8.553 -0.189
138 HA PHE 17 HA PHE 17 -12.964 7.776 2.245
139 HB2 PHE 17 HB1 PHE 17 -12.490 9.796 0.509
140 HB3 PHE 17 HB2 PHE 17 -13.505 10.738 1.652
141 HD1 PHE 17 HD1 PHE 17 -12.735 10.872 4.083
142 HD2 PHE 17 HD2 PHE 17 -10.315 9.085 1.019
143 HE1 PHE 17 HE1 PHE 17 -10.734 11.087 5.534
144 HE2 PHE 17 HE2 PHE 17 -8.317 9.297 2.466
145 HZ PHE 17 HZ PHE 17 -8.524 10.302 4.723
146 HN2 ABA 18 HN AGL 18 -15.969 9.703 1.650
147 HA ABA 18 HA AGL 18 -16.712 9.926 4.357
148 HB3 ABA 18 HB2 AGL 18 -18.282 9.901 1.726
149 HB2 ABA 18 HB1 AGL 18 -17.714 11.326 2.616
150 HG3 ABA 18 HG AGL 18 -20.160 9.557 3.177
151 H LEU 19 HN LEU 19 -17.495 7.307 1.959
152 HA LEU 19 HA LEU 19 -19.164 5.920 3.738
153 HB2 LEU 19 HB1 LEU 19 -17.619 5.033 1.262
154 HB3 LEU 19 HB2 LEU 19 -18.742 3.941 2.137
155 HG LEU 19 HG LEU 19 -19.592 6.645 0.960
156 HD11 LEU 19 HD11 LEU 19 -18.823 5.124 -0.849
157 HD12 LEU 19 HD12 LEU 19 -20.616 5.329 -0.893
158 HD13 LEU 19 HD13 LEU 19 -19.897 3.812 -0.224
159 HD21 LEU 19 HD21 LEU 19 -21.907 5.703 1.190
160 HD22 LEU 19 HD22 LEU 19 -21.095 5.860 2.786
161 HD23 LEU 19 HD23 LEU 19 -21.228 4.242 2.001
162 H VAL 20 HN VAL 20 -15.596 5.409 3.209
163 HA VAL 20 HA VAL 20 -15.606 3.190 4.971
164 HB VAL 20 HB VAL 20 -13.189 3.320 5.071
165 HG11 VAL 20 HG11 VAL 20 -14.407 2.196 3.183
166 HG12 VAL 20 HG12 VAL 20 -14.361 3.734 2.239
167 HG13 VAL 20 HG13 VAL 20 -12.830 2.893 2.659
168 HG21 VAL 20 HG21 VAL 20 -12.774 5.784 5.079
169 HG22 VAL 20 HG22 VAL 20 -11.987 5.033 3.653
170 HG23 VAL 20 HG23 VAL 20 -13.526 5.937 3.446
171 H THR 21 HN THR 21 -14.840 6.672 5.691
172 HA THR 21 HA THR 21 -14.364 6.025 8.425
173 HB THR 21 HB THR 21 -15.031 8.823 7.480
174 HG1 THR 21 HG1 THR 21 -12.538 7.477 7.453
175 HG21 THR 21 HG21 THR 21 -13.258 7.570 9.718
176 HG22 THR 21 HG22 THR 21 -14.792 8.472 9.982
177 HG23 THR 21 HG23 THR 21 -13.335 9.323 9.343
178 H LYS 22 HN LYS 22 -17.272 6.811 6.627
179 HA LYS 22 HA LYS 22 -19.372 7.053 7.068
180 HB2 LYS 22 HB1 LYS 22 -18.899 5.708 9.755
181 HB3 LYS 22 HB2 LYS 22 -20.455 5.809 8.893
182 HG2 LYS 22 HG1 LYS 22 -19.827 4.258 7.211
183 HG3 LYS 22 HG2 LYS 22 -18.090 4.414 7.508
184 HD2 LYS 22 HD1 LYS 22 -20.115 2.992 9.328
185 HD3 LYS 22 HD2 LYS 22 -18.870 2.256 8.281
186 HE2 LYS 22 HE1 LYS 22 -18.492 3.763 10.934
187 HE3 LYS 22 HE2 LYS 22 -17.951 2.104 10.476
188 HZ1 LYS 22 HZ1 LYS 22 -16.501 3.391 8.756
189 HZ2 LYS 22 HZ2 LYS 22 -16.045 3.414 10.392
190 HZ3 LYS 22 HZ3 LYS 22 -16.845 4.731 9.700
191 H LYS 23 HN LYS 23 -17.452 9.165 8.234
192 HA LYS 23 HA LYS 23 -19.358 10.358 10.166
193 HB2 LYS 23 HB1 LYS 23 -17.756 10.611 11.603
194 HB3 LYS 23 HB2 LYS 23 -16.709 9.620 10.577
195 HG2 LYS 23 HG1 LYS 23 -16.883 12.696 10.660
196 HG3 LYS 23 HG2 LYS 23 -15.648 11.684 11.451
197 HD2 LYS 23 HD1 LYS 23 -14.613 11.067 9.351
198 HD3 LYS 23 HD2 LYS 23 -16.016 11.622 8.396
199 HE2 LYS 23 HE1 LYS 23 -14.081 13.208 8.206
200 HE3 LYS 23 HE2 LYS 23 -15.567 13.982 8.889
201 HZ1 LYS 23 HZ1 LYS 23 -14.662 13.688 11.087
202 HZ2 LYS 23 HZ2 LYS 23 -13.597 14.593 10.131
203 HZ3 LYS 23 HZ3 LYS 23 -13.257 12.966 10.480
204 HN2 ABA 24 HN AGL 24 -19.169 10.594 7.029
205 HA ABA 24 HA AGL 24 -18.745 13.464 6.808
206 HB3 ABA 24 HB2 AGL 24 -17.959 12.140 4.947
207 HB2 ABA 24 HB1 AGL 24 -19.249 13.266 4.441
208 HG3 ABA 24 HG AGL 24 -20.860 11.066 4.853
Start of MODEL 17
1 H1 PHE 1 HN PHE 1 2.667 -0.856 -0.366
2 HA PHE 1 HA PHE 1 5.045 0.394 -0.747
3 HB2 PHE 1 HB1 PHE 1 3.482 -1.352 -2.749
4 HB3 PHE 1 HB2 PHE 1 5.213 -0.897 -2.957
5 HD1 PHE 1 HD1 PHE 1 6.775 -1.362 -0.882
6 HD2 PHE 1 HD2 PHE 1 3.049 -3.369 -1.623
7 HE1 PHE 1 HE1 PHE 1 7.505 -3.244 0.550
8 HE2 PHE 1 HE2 PHE 1 3.783 -5.256 -0.196
9 HZ PHE 1 HZ PHE 1 6.009 -5.193 0.897
10 H LEU 2 HN LEU 2 5.265 2.478 -1.133
11 HA LEU 2 HA LEU 2 5.093 4.480 -2.002
12 HB2 LEU 2 HB1 LEU 2 6.615 3.169 -3.510
13 HB3 LEU 2 HB2 LEU 2 5.260 3.045 -4.666
14 HG LEU 2 HG LEU 2 5.206 5.560 -4.839
15 HD11 LEU 2 HD11 LEU 2 7.751 5.461 -3.088
16 HD12 LEU 2 HD12 LEU 2 6.178 6.226 -2.641
17 HD13 LEU 2 HD13 LEU 2 7.145 6.906 -3.989
18 HD21 LEU 2 HD21 LEU 2 6.471 4.168 -6.457
19 HD22 LEU 2 HD22 LEU 2 7.947 4.284 -5.431
20 HD23 LEU 2 HD23 LEU 2 7.255 5.770 -6.213
21 HA PRO 3 HA PRO 3 0.772 4.091 -3.335
22 HB2 PRO 3 HB1 PRO 3 -0.698 4.893 -1.176
23 HB3 PRO 3 HB2 PRO 3 0.327 3.412 -1.115
24 HG2 PRO 3 HG1 PRO 3 1.132 6.226 -0.166
25 HG3 PRO 3 HG2 PRO 3 1.127 4.694 0.809
26 HD2 PRO 3 HD1 PRO 3 3.416 5.542 -0.490
27 HD3 PRO 3 HD2 PRO 3 2.941 3.779 -0.452
28 H ILE 4 HN ILE 4 1.901 5.951 -4.639
29 HA ILE 4 HA ILE 4 1.198 8.571 -4.711
30 HB ILE 4 HB ILE 4 1.088 6.662 -7.093
31 HG12 ILE 4 HG11 ILE 4 3.212 6.269 -6.006
32 HG13 ILE 4 HG12 ILE 4 3.441 7.222 -7.488
33 HG21 ILE 4 HG21 ILE 4 1.576 9.715 -6.888
34 HG22 ILE 4 HG22 ILE 4 1.769 8.723 -8.377
35 HG23 ILE 4 HG23 ILE 4 0.147 8.903 -7.637
36 HD11 ILE 4 HD1 ILE 4 3.516 8.348 -4.600
37 HD12 ILE 4 HD2 ILE 4 4.919 8.070 -5.695
38 HD13 ILE 4 HD3 ILE 4 3.706 9.328 -6.104
39 H LEU 5 HN LEU 5 -0.787 6.033 -6.268
40 HA LEU 5 HA LEU 5 -2.962 7.554 -6.861
41 HB2 LEU 5 HB1 LEU 5 -4.132 5.553 -7.344
42 HB3 LEU 5 HB2 LEU 5 -2.433 5.310 -7.816
43 HG LEU 5 HG LEU 5 -3.757 4.213 -5.251
44 HD11 LEU 5 HD11 LEU 5 -3.067 2.806 -7.901
45 HD12 LEU 5 HD12 LEU 5 -4.719 3.235 -7.324
46 HD13 LEU 5 HD13 LEU 5 -3.735 2.025 -6.423
47 HD21 LEU 5 HD21 LEU 5 -1.768 2.676 -5.147
48 HD22 LEU 5 HD22 LEU 5 -1.291 4.390 -4.899
49 HD23 LEU 5 HD23 LEU 5 -0.998 3.579 -6.494
50 H ALA 6 HN ALA 6 -2.321 6.108 -3.639
51 HA ALA 6 HA ALA 6 -4.958 6.390 -2.668
52 HB1 ALA 6 HB1 ALA 6 -2.289 6.513 -1.143
53 HB2 ALA 6 HB2 ALA 6 -3.913 6.212 -0.420
54 HB3 ALA 6 HB3 ALA 6 -3.195 5.008 -1.546
55 H SER 7 HN SER 7 -2.239 8.676 -2.817
56 HA SER 7 HA SER 7 -3.491 10.794 -1.395
57 HB2 SER 7 HB1 SER 7 -1.020 10.658 -1.892
58 HB3 SER 7 HB2 SER 7 -1.368 10.987 -3.617
59 HG SER 7 HG1 SER 7 -0.750 12.817 -2.353
60 H LEU 8 HN LEU 8 -3.481 9.908 -4.873
61 HA LEU 8 HA LEU 8 -5.058 12.100 -5.744
62 HB2 LEU 8 HB1 LEU 8 -3.554 10.561 -7.148
63 HB3 LEU 8 HB2 LEU 8 -4.784 9.284 -6.947
64 HG LEU 8 HG LEU 8 -6.468 10.898 -8.063
65 HD11 LEU 8 HD11 LEU 8 -5.505 12.707 -9.484
66 HD12 LEU 8 HD12 LEU 8 -3.869 12.401 -8.804
67 HD13 LEU 8 HD13 LEU 8 -5.185 13.047 -7.746
68 HD21 LEU 8 HD21 LEU 8 -4.016 9.988 -9.696
69 HD22 LEU 8 HD22 LEU 8 -5.647 10.376 -10.349
70 HD23 LEU 8 HD23 LEU 8 -5.436 8.965 -9.251
71 H ALA 9 HN ALA 9 -5.935 8.717 -4.871
72 HA ALA 9 HA ALA 9 -8.622 8.830 -5.403
73 HB1 ALA 9 HB1 ALA 9 -7.290 6.740 -5.065
74 HB2 ALA 9 HB2 ALA 9 -7.111 7.141 -3.320
75 HB3 ALA 9 HB3 ALA 9 -8.741 6.759 -4.000
76 H ALA 10 HN ALA 10 -6.987 9.690 -2.310
77 HA ALA 10 HA ALA 10 -9.332 10.149 -0.856
78 HB1 ALA 10 HB1 ALA 10 -7.865 11.558 0.604
79 HB2 ALA 10 HB2 ALA 10 -7.039 10.030 0.129
80 HB3 ALA 10 HB3 ALA 10 -6.603 11.569 -0.696
81 H LYS 11 HN LYS 11 -7.687 12.283 -3.189
82 HA LYS 11 HA LYS 11 -9.330 14.578 -2.550
83 HB2 LYS 11 HB1 LYS 11 -7.384 13.986 -4.846
84 HB3 LYS 11 HB2 LYS 11 -8.129 15.587 -4.545
85 HG2 LYS 11 HG1 LYS 11 -6.940 15.853 -2.441
86 HG3 LYS 11 HG2 LYS 11 -6.433 14.134 -2.440
87 HD2 LYS 11 HD1 LYS 11 -5.116 14.564 -4.581
88 HD3 LYS 11 HD2 LYS 11 -5.520 16.297 -4.447
89 HE2 LYS 11 HE1 LYS 11 -3.202 15.766 -3.601
90 HE3 LYS 11 HE2 LYS 11 -4.244 16.465 -2.294
91 HZ1 LYS 11 HZ1 LYS 11 -2.875 14.079 -2.154
92 HZ2 LYS 11 HZ2 LYS 11 -4.411 13.606 -2.544
93 HZ3 LYS 11 HZ3 LYS 11 -4.181 14.543 -1.162
94 H PHE 12 HN PHE 12 -9.165 12.235 -5.297
95 HA PHE 12 HA PHE 12 -11.474 13.574 -6.511
96 HB2 PHE 12 HB1 PHE 12 -9.435 11.485 -7.490
97 HB3 PHE 12 HB2 PHE 12 -10.895 11.941 -8.451
98 HD1 PHE 12 HD1 PHE 12 -7.609 13.112 -7.241
99 HD2 PHE 12 HD2 PHE 12 -11.208 14.182 -9.318
100 HE1 PHE 12 HE1 PHE 12 -6.489 15.139 -8.141
101 HE2 PHE 12 HE2 PHE 12 -10.092 16.196 -10.223
102 HZ PHE 12 HZ PHE 12 -7.734 16.678 -9.635
103 H GLY 13 HN GLY 13 -11.095 11.035 -4.331
104 HA2 GLY 13 HA1 GLY 13 -13.659 9.834 -5.215
105 HA3 GLY 13 HA2 GLY 13 -12.340 9.012 -4.326
106 HA PRO 14 HA PRO 14 -13.945 11.464 -0.741
107 HB2 PRO 14 HB1 PRO 14 -15.796 13.553 -0.912
108 HB3 PRO 14 HB2 PRO 14 -14.029 13.786 -1.200
109 HG2 PRO 14 HG1 PRO 14 -16.185 13.292 -3.335
110 HG3 PRO 14 HG2 PRO 14 -14.953 14.620 -3.276
111 HD2 PRO 14 HD1 PRO 14 -14.473 12.336 -4.731
112 HD3 PRO 14 HD2 PRO 14 -13.151 13.107 -3.749
113 H LYS 15 HN LYS 15 -16.233 10.749 -3.233
114 HA LYS 15 HA LYS 15 -18.457 9.941 -1.718
115 HB2 LYS 15 HB1 LYS 15 -18.482 10.291 -4.152
116 HB3 LYS 15 HB2 LYS 15 -17.324 8.948 -4.403
117 HG2 LYS 15 HG1 LYS 15 -19.033 7.281 -3.767
118 HG3 LYS 15 HG2 LYS 15 -20.080 8.558 -3.100
119 HD2 LYS 15 HD1 LYS 15 -21.044 7.861 -5.224
120 HD3 LYS 15 HD2 LYS 15 -20.481 9.546 -5.299
121 HE2 LYS 15 HE1 LYS 15 -19.964 8.503 -7.425
122 HE3 LYS 15 HE2 LYS 15 -18.401 8.794 -6.576
123 HZ1 LYS 15 HZ1 LYS 15 -19.903 6.219 -6.712
124 HZ2 LYS 15 HZ2 LYS 15 -18.452 6.465 -5.868
125 HZ3 LYS 15 HZ3 LYS 15 -18.492 6.611 -7.559
126 H LEU 16 HN LEU 16 -15.441 8.123 -2.514
127 HA LEU 16 HA LEU 16 -16.366 5.750 -1.129
128 HB2 LEU 16 HB1 LEU 16 -13.584 6.613 -2.114
129 HB3 LEU 16 HB2 LEU 16 -13.977 5.006 -1.428
130 HG LEU 16 HG LEU 16 -15.181 6.170 -4.009
131 HD11 LEU 16 HD11 LEU 16 -13.718 4.506 -5.167
132 HD12 LEU 16 HD12 LEU 16 -13.008 4.024 -3.584
133 HD13 LEU 16 HD13 LEU 16 -12.742 5.689 -4.218
134 HD21 LEU 16 HD21 LEU 16 -15.387 3.359 -2.742
135 HD22 LEU 16 HD22 LEU 16 -15.967 3.793 -4.387
136 HD23 LEU 16 HD23 LEU 16 -16.743 4.531 -2.933
137 H PHE 17 HN PHE 17 -14.223 8.536 -0.470
138 HA PHE 17 HA PHE 17 -13.187 7.614 1.914
139 HB2 PHE 17 HB1 PHE 17 -12.574 9.662 0.321
140 HB3 PHE 17 HB2 PHE 17 -13.634 10.612 1.416
141 HD1 PHE 17 HD1 PHE 17 -13.041 10.624 3.922
142 HD2 PHE 17 HD2 PHE 17 -10.423 8.978 0.940
143 HE1 PHE 17 HE1 PHE 17 -11.148 10.774 5.503
144 HE2 PHE 17 HE2 PHE 17 -8.523 9.131 2.523
145 HZ PHE 17 HZ PHE 17 -8.883 10.032 4.807
146 HN2 ABA 18 HN AGL 18 -16.102 9.735 1.494
147 HA ABA 18 HA AGL 18 -16.681 9.915 4.233
148 HB3 ABA 18 HB2 AGL 18 -18.464 10.121 1.750
149 HB2 ABA 18 HB1 AGL 18 -17.624 11.455 2.563
150 HG3 ABA 18 HG AGL 18 -20.218 10.057 3.386
151 H LEU 19 HN LEU 19 -17.712 7.400 1.845
152 HA LEU 19 HA LEU 19 -19.401 6.077 3.689
153 HB2 LEU 19 HB1 LEU 19 -18.002 5.097 1.153
154 HB3 LEU 19 HB2 LEU 19 -19.204 4.125 2.066
155 HG LEU 19 HG LEU 19 -19.779 6.864 0.799
156 HD11 LEU 19 HD11 LEU 19 -19.306 5.135 -0.920
157 HD12 LEU 19 HD12 LEU 19 -21.054 5.584 -0.913
158 HD13 LEU 19 HD13 LEU 19 -20.519 4.029 -0.164
159 HD21 LEU 19 HD21 LEU 19 -22.189 6.252 1.175
160 HD22 LEU 19 HD22 LEU 19 -21.294 6.426 2.723
161 HD23 LEU 19 HD23 LEU 19 -21.665 4.782 2.081
162 H VAL 20 HN VAL 20 -15.885 5.471 2.965
163 HA VAL 20 HA VAL 20 -15.866 3.309 4.828
164 HB VAL 20 HB VAL 20 -14.296 3.438 2.991
165 HG11 VAL 20 HG11 VAL 20 -12.848 5.625 4.635
166 HG12 VAL 20 HG12 VAL 20 -12.269 4.838 3.128
167 HG13 VAL 20 HG13 VAL 20 -13.734 5.882 3.082
168 HG21 VAL 20 HG21 VAL 20 -12.382 2.535 4.282
169 HG22 VAL 20 HG22 VAL 20 -13.000 3.279 5.796
170 HG23 VAL 20 HG23 VAL 20 -13.936 1.963 4.988
171 H THR 21 HN THR 21 -14.921 6.785 5.253
172 HA THR 21 HA THR 21 -14.183 6.495 7.942
173 HB THR 21 HB THR 21 -15.256 9.005 6.594
174 HG1 THR 21 HG1 THR 21 -12.605 8.062 6.972
175 HG21 THR 21 HG21 THR 21 -13.465 8.573 9.103
176 HG22 THR 21 HG22 THR 21 -15.152 9.198 9.134
177 HG23 THR 21 HG23 THR 21 -13.851 10.162 8.351
178 H LYS 22 HN LYS 22 -17.364 7.105 6.487
179 HA LYS 22 HA LYS 22 -19.379 7.391 7.190
180 HB2 LYS 22 HB1 LYS 22 -18.648 5.893 9.734
181 HB3 LYS 22 HB2 LYS 22 -20.270 6.010 9.008
182 HG2 LYS 22 HG1 LYS 22 -19.758 4.531 7.217
183 HG3 LYS 22 HG2 LYS 22 -18.005 4.686 7.397
184 HD2 LYS 22 HD1 LYS 22 -19.892 3.182 9.291
185 HD3 LYS 22 HD2 LYS 22 -18.694 2.505 8.153
186 HE2 LYS 22 HE1 LYS 22 -18.199 3.931 10.832
187 HE3 LYS 22 HE2 LYS 22 -17.658 2.298 10.292
188 HZ1 LYS 22 HZ1 LYS 22 -16.627 4.967 9.527
189 HZ2 LYS 22 HZ2 LYS 22 -16.311 3.657 8.550
190 HZ3 LYS 22 HZ3 LYS 22 -15.778 3.654 10.160
191 H LYS 23 HN LYS 23 -17.292 9.418 8.364
192 HA LYS 23 HA LYS 23 -19.305 10.615 10.169
193 HB2 LYS 23 HB1 LYS 23 -17.906 11.178 11.815
194 HB3 LYS 23 HB2 LYS 23 -17.177 9.645 11.307
195 HG2 LYS 23 HG1 LYS 23 -15.178 10.719 11.160
196 HG3 LYS 23 HG2 LYS 23 -15.806 11.693 9.792
197 HD2 LYS 23 HD1 LYS 23 -16.881 13.244 11.545
198 HD3 LYS 23 HD2 LYS 23 -16.003 12.327 12.808
199 HE2 LYS 23 HE1 LYS 23 -13.800 13.044 11.771
200 HE3 LYS 23 HE2 LYS 23 -14.714 13.940 10.490
201 HZ1 LYS 23 HZ1 LYS 23 -14.054 15.406 12.282
202 HZ2 LYS 23 HZ2 LYS 23 -14.852 14.445 13.427
203 HZ3 LYS 23 HZ3 LYS 23 -15.743 15.256 12.241
204 HN2 ABA 24 HN AGL 24 -18.821 10.899 7.196
205 HA ABA 24 HA AGL 24 -17.857 13.601 6.931
206 HB3 ABA 24 HB2 AGL 24 -17.432 12.080 5.092
207 HB2 ABA 24 HB1 AGL 24 -18.454 13.444 4.560
208 HG3 ABA 24 HG AGL 24 -20.460 11.571 5.188
Start of MODEL 18
1 H1 PHE 1 HN PHE 1 0.582 -1.534 -3.215
2 HA PHE 1 HA PHE 1 1.435 -0.507 -5.438
3 HB2 PHE 1 HB1 PHE 1 -1.011 0.606 -3.910
4 HB3 PHE 1 HB2 PHE 1 -0.732 0.791 -5.683
5 HD1 PHE 1 HD1 PHE 1 -0.176 -1.487 -6.959
6 HD2 PHE 1 HD2 PHE 1 -2.419 -1.161 -3.309
7 HE1 PHE 1 HE1 PHE 1 -1.290 -3.639 -7.453
8 HE2 PHE 1 HE2 PHE 1 -3.542 -3.314 -3.809
9 HZ PHE 1 HZ PHE 1 -2.975 -4.555 -5.882
10 H LEU 2 HN LEU 2 2.605 0.668 -2.864
11 HA LEU 2 HA LEU 2 4.051 2.302 -2.408
12 HB2 LEU 2 HB1 LEU 2 3.435 3.348 -5.211
13 HB3 LEU 2 HB2 LEU 2 4.420 4.293 -4.084
14 HG LEU 2 HG LEU 2 5.999 2.318 -3.844
15 HD11 LEU 2 HD11 LEU 2 6.044 0.671 -5.769
16 HD12 LEU 2 HD12 LEU 2 4.423 1.267 -6.282
17 HD13 LEU 2 HD13 LEU 2 4.619 0.433 -4.697
18 HD21 LEU 2 HD21 LEU 2 7.142 2.835 -6.006
19 HD22 LEU 2 HD22 LEU 2 6.469 4.333 -5.250
20 HD23 LEU 2 HD23 LEU 2 5.620 3.559 -6.641
21 HA PRO 3 HA PRO 3 1.398 5.182 -0.503
22 HB2 PRO 3 HB1 PRO 3 2.819 7.598 -0.104
23 HB3 PRO 3 HB2 PRO 3 3.084 6.076 0.824
24 HG2 PRO 3 HG1 PRO 3 4.622 7.036 -1.650
25 HG3 PRO 3 HG2 PRO 3 5.300 6.435 -0.078
26 HD2 PRO 3 HD1 PRO 3 5.111 4.742 -2.196
27 HD3 PRO 3 HD2 PRO 3 4.559 4.157 -0.563
28 H ILE 4 HN ILE 4 2.742 6.353 -3.470
29 HA ILE 4 HA ILE 4 2.148 8.895 -3.615
30 HB ILE 4 HB ILE 4 1.863 7.057 -6.028
31 HG12 ILE 4 HG11 ILE 4 3.930 6.437 -4.904
32 HG13 ILE 4 HG12 ILE 4 4.275 7.379 -6.374
33 HG21 ILE 4 HG21 ILE 4 2.777 9.083 -7.251
34 HG22 ILE 4 HG22 ILE 4 1.165 9.392 -6.528
35 HG23 ILE 4 HG23 ILE 4 2.644 10.041 -5.733
36 HD11 ILE 4 HD1 ILE 4 4.402 8.500 -3.485
37 HD12 ILE 4 HD2 ILE 4 5.798 8.067 -4.534
38 HD13 ILE 4 HD3 ILE 4 4.728 9.436 -4.989
39 H LEU 5 HN LEU 5 -0.107 6.610 -5.137
40 HA LEU 5 HA LEU 5 -2.091 8.373 -5.819
41 HB2 LEU 5 HB1 LEU 5 -3.418 6.305 -6.213
42 HB3 LEU 5 HB2 LEU 5 -1.736 6.163 -6.782
43 HG LEU 5 HG LEU 5 -1.399 5.093 -4.274
44 HD11 LEU 5 HD11 LEU 5 -3.827 5.264 -3.633
45 HD12 LEU 5 HD12 LEU 5 -3.283 3.554 -3.774
46 HD13 LEU 5 HD13 LEU 5 -4.266 4.293 -5.090
47 HD21 LEU 5 HD21 LEU 5 -0.706 4.069 -6.431
48 HD22 LEU 5 HD22 LEU 5 -2.415 3.583 -6.758
49 HD23 LEU 5 HD23 LEU 5 -1.518 2.880 -5.359
50 H ALA 6 HN ALA 6 -1.479 7.496 -2.510
51 HA ALA 6 HA ALA 6 -4.115 7.418 -1.559
52 HB1 ALA 6 HB1 ALA 6 -3.069 7.940 0.656
53 HB2 ALA 6 HB2 ALA 6 -2.121 6.698 -0.240
54 HB3 ALA 6 HB3 ALA 6 -1.538 8.394 -0.191
55 H SER 7 HN SER 7 -1.978 10.219 -2.247
56 HA SER 7 HA SER 7 -3.729 12.177 -1.144
57 HB2 SER 7 HB1 SER 7 -2.352 13.835 -2.407
58 HB3 SER 7 HB2 SER 7 -1.339 12.669 -1.482
59 HG SER 7 HG1 SER 7 -0.507 12.822 -3.560
60 H LEU 8 HN LEU 8 -3.305 10.857 -4.390
61 HA LEU 8 HA LEU 8 -5.246 12.353 -5.743
62 HB2 LEU 8 HB1 LEU 8 -3.339 10.871 -6.667
63 HB3 LEU 8 HB2 LEU 8 -4.357 9.456 -6.284
64 HG LEU 8 HG LEU 8 -6.154 10.527 -7.837
65 HD11 LEU 8 HD11 LEU 8 -3.696 12.174 -8.740
66 HD12 LEU 8 HD12 LEU 8 -5.154 12.854 -7.926
67 HD13 LEU 8 HD13 LEU 8 -5.294 12.112 -9.561
68 HD21 LEU 8 HD21 LEU 8 -3.451 9.642 -9.033
69 HD22 LEU 8 HD22 LEU 8 -5.039 9.633 -9.880
70 HD23 LEU 8 HD23 LEU 8 -4.770 8.548 -8.466
71 H ALA 9 HN ALA 9 -5.524 9.128 -4.151
72 HA ALA 9 HA ALA 9 -8.233 8.696 -4.591
73 HB1 ALA 9 HB1 ALA 9 -6.441 7.809 -2.245
74 HB2 ALA 9 HB2 ALA 9 -8.012 7.047 -2.709
75 HB3 ALA 9 HB3 ALA 9 -6.595 6.958 -3.819
76 H ALA 10 HN ALA 10 -6.606 10.448 -1.905
77 HA ALA 10 HA ALA 10 -9.104 11.139 -0.660
78 HB1 ALA 10 HB1 ALA 10 -7.627 12.445 0.873
79 HB2 ALA 10 HB2 ALA 10 -6.957 10.796 0.599
80 HB3 ALA 10 HB3 ALA 10 -6.239 12.196 -0.264
81 H LYS 11 HN LYS 11 -8.304 12.066 -3.592
82 HA LYS 11 HA LYS 11 -9.580 14.692 -3.161
83 HB2 LYS 11 HB1 LYS 11 -7.041 14.715 -3.909
84 HB3 LYS 11 HB2 LYS 11 -7.616 14.040 -5.439
85 HG2 LYS 11 HG1 LYS 11 -7.321 16.476 -5.622
86 HG3 LYS 11 HG2 LYS 11 -9.025 16.029 -5.867
87 HD2 LYS 11 HD1 LYS 11 -8.788 18.088 -4.575
88 HD3 LYS 11 HD2 LYS 11 -9.651 16.863 -3.621
89 HE2 LYS 11 HE1 LYS 11 -6.603 17.335 -3.293
90 HE3 LYS 11 HE2 LYS 11 -7.812 18.401 -2.479
91 HZ1 LYS 11 HZ1 LYS 11 -7.750 15.437 -2.128
92 HZ2 LYS 11 HZ2 LYS 11 -8.707 16.528 -1.323
93 HZ3 LYS 11 HZ3 LYS 11 -7.032 16.541 -1.080
94 H PHE 12 HN PHE 12 -9.056 12.054 -5.573
95 HA PHE 12 HA PHE 12 -11.563 12.839 -6.863
96 HB2 PHE 12 HB1 PHE 12 -9.258 10.947 -7.657
97 HB3 PHE 12 HB2 PHE 12 -10.739 11.209 -8.656
98 HD1 PHE 12 HD1 PHE 12 -7.534 12.638 -7.604
99 HD2 PHE 12 HD2 PHE 12 -11.264 13.445 -9.568
100 HE1 PHE 12 HE1 PHE 12 -6.557 14.684 -8.621
101 HE2 PHE 12 HE2 PHE 12 -10.291 15.481 -10.587
102 HZ PHE 12 HZ PHE 12 -7.939 16.103 -10.113
103 H GLY 13 HN GLY 13 -10.723 10.730 -4.376
104 HA2 GLY 13 HA1 GLY 13 -12.908 8.861 -5.082
105 HA3 GLY 13 HA2 GLY 13 -11.547 8.580 -3.959
106 HA PRO 14 HA PRO 14 -14.076 11.100 -1.015
107 HB2 PRO 14 HB1 PRO 14 -16.263 12.689 -1.703
108 HB3 PRO 14 HB2 PRO 14 -14.562 13.268 -1.869
109 HG2 PRO 14 HG1 PRO 14 -16.301 12.007 -4.066
110 HG3 PRO 14 HG2 PRO 14 -15.378 13.564 -4.131
111 HD2 PRO 14 HD1 PRO 14 -14.310 11.224 -5.124
112 HD3 PRO 14 HD2 PRO 14 -13.270 12.423 -4.236
113 H LYS 15 HN LYS 15 -15.791 9.552 -3.577
114 HA LYS 15 HA LYS 15 -18.047 8.522 -2.302
115 HB2 LYS 15 HB1 LYS 15 -17.574 8.444 -4.747
116 HB3 LYS 15 HB2 LYS 15 -16.176 7.359 -4.458
117 HG2 LYS 15 HG1 LYS 15 -17.729 5.537 -3.710
118 HG3 LYS 15 HG2 LYS 15 -19.110 6.662 -3.824
119 HD2 LYS 15 HD1 LYS 15 -19.160 5.234 -5.760
120 HD3 LYS 15 HD2 LYS 15 -18.749 6.898 -6.289
121 HE2 LYS 15 HE1 LYS 15 -16.310 6.215 -6.498
122 HE3 LYS 15 HE2 LYS 15 -16.745 4.548 -5.951
123 HZ1 LYS 15 HZ1 LYS 15 -17.777 5.918 -8.396
124 HZ2 LYS 15 HZ2 LYS 15 -18.185 4.356 -7.890
125 HZ3 LYS 15 HZ3 LYS 15 -16.597 4.710 -8.351
126 H LEU 16 HN LEU 16 -14.657 7.270 -2.269
127 HA LEU 16 HA LEU 16 -15.382 5.051 -0.538
128 HB2 LEU 16 HB1 LEU 16 -12.661 6.237 -1.356
129 HB3 LEU 16 HB2 LEU 16 -12.886 4.723 -0.426
130 HG LEU 16 HG LEU 16 -13.870 5.188 -3.304
131 HD11 LEU 16 HD11 LEU 16 -11.981 3.688 -3.954
132 HD12 LEU 16 HD12 LEU 16 -11.437 3.621 -2.239
133 HD13 LEU 16 HD13 LEU 16 -11.378 5.180 -3.139
134 HD21 LEU 16 HD21 LEU 16 -13.757 2.635 -1.569
135 HD22 LEU 16 HD22 LEU 16 -14.166 2.682 -3.320
136 HD23 LEU 16 HD23 LEU 16 -15.255 3.473 -2.121
137 H PHE 17 HN PHE 17 -13.790 8.239 -0.280
138 HA PHE 17 HA PHE 17 -12.825 7.930 2.264
139 HB2 PHE 17 HB1 PHE 17 -12.458 9.744 0.304
140 HB3 PHE 17 HB2 PHE 17 -13.589 10.727 1.299
141 HD1 PHE 17 HD1 PHE 17 -12.959 11.032 3.811
142 HD2 PHE 17 HD2 PHE 17 -10.225 9.443 0.899
143 HE1 PHE 17 HE1 PHE 17 -11.068 11.524 5.318
144 HE2 PHE 17 HE2 PHE 17 -8.329 9.937 2.414
145 HZ PHE 17 HZ PHE 17 -8.748 10.986 4.623
146 HN2 ABA 18 HN AGL 18 -15.987 9.403 1.352
147 HA ABA 18 HA AGL 18 -16.636 10.222 3.946
148 HB3 ABA 18 HB2 AGL 18 -18.993 9.437 2.241
149 HB2 ABA 18 HB1 AGL 18 -17.788 10.356 1.338
150 HG3 ABA 18 HG AGL 18 -17.960 12.327 2.751
151 H LEU 19 HN LEU 19 -17.165 7.109 2.349
152 HA LEU 19 HA LEU 19 -18.760 5.985 4.441
153 HB2 LEU 19 HB1 LEU 19 -17.140 4.681 2.178
154 HB3 LEU 19 HB2 LEU 19 -18.328 3.828 3.214
155 HG LEU 19 HG LEU 19 -18.973 6.136 1.283
156 HD11 LEU 19 HD11 LEU 19 -18.273 4.072 0.102
157 HD12 LEU 19 HD12 LEU 19 -20.038 4.370 -0.112
158 HD13 LEU 19 HD13 LEU 19 -19.471 3.103 1.044
159 HD21 LEU 19 HD21 LEU 19 -20.599 6.078 3.179
160 HD22 LEU 19 HD22 LEU 19 -20.831 4.304 2.940
161 HD23 LEU 19 HD23 LEU 19 -21.368 5.466 1.671
162 H VAL 20 HN VAL 20 -15.240 5.651 3.568
163 HA VAL 20 HA VAL 20 -14.796 3.734 5.562
164 HB VAL 20 HB VAL 20 -13.427 4.040 3.521
165 HG11 VAL 20 HG11 VAL 20 -11.991 6.239 5.160
166 HG12 VAL 20 HG12 VAL 20 -11.548 5.625 3.530
167 HG13 VAL 20 HG13 VAL 20 -13.084 6.546 3.761
168 HG21 VAL 20 HG21 VAL 20 -12.789 2.531 5.424
169 HG22 VAL 20 HG22 VAL 20 -11.340 3.267 4.644
170 HG23 VAL 20 HG23 VAL 20 -11.925 3.896 6.224
171 H THR 21 HN THR 21 -14.434 7.296 5.750
172 HA THR 21 HA THR 21 -13.543 7.074 8.509
173 HB THR 21 HB THR 21 -14.371 9.637 7.089
174 HG1 THR 21 HG1 THR 21 -11.840 8.386 7.061
175 HG21 THR 21 HG21 THR 21 -12.253 8.965 9.271
176 HG22 THR 21 HG22 THR 21 -13.790 9.862 9.549
177 HG23 THR 21 HG23 THR 21 -12.508 10.585 8.525
178 H LYS 22 HN LYS 22 -16.403 6.420 7.236
179 HA LYS 22 HA LYS 22 -18.518 6.413 7.788
180 HB2 LYS 22 HB1 LYS 22 -17.104 5.256 9.651
181 HB3 LYS 22 HB2 LYS 22 -17.572 6.646 10.672
182 HG2 LYS 22 HG1 LYS 22 -20.055 5.988 10.049
183 HG3 LYS 22 HG2 LYS 22 -19.366 4.460 9.429
184 HD2 LYS 22 HD1 LYS 22 -19.135 5.618 12.282
185 HD3 LYS 22 HD2 LYS 22 -20.233 4.293 11.775
186 HE2 LYS 22 HE1 LYS 22 -18.250 2.819 11.276
187 HE3 LYS 22 HE2 LYS 22 -17.127 4.150 11.766
188 HZ1 LYS 22 HZ1 LYS 22 -18.116 4.113 13.961
189 HZ2 LYS 22 HZ2 LYS 22 -17.492 2.591 13.555
190 HZ3 LYS 22 HZ3 LYS 22 -19.166 2.861 13.517
191 H LYS 23 HN LYS 23 -17.540 9.235 7.448
192 HA LYS 23 HA LYS 23 -19.078 10.636 9.531
193 HB2 LYS 23 HB1 LYS 23 -16.577 10.957 8.906
194 HB3 LYS 23 HB2 LYS 23 -17.160 11.977 7.569
195 HG2 LYS 23 HG1 LYS 23 -17.926 12.365 10.557
196 HG3 LYS 23 HG2 LYS 23 -16.436 13.025 9.859
197 HD2 LYS 23 HD1 LYS 23 -17.411 14.814 8.990
198 HD3 LYS 23 HD2 LYS 23 -18.633 13.862 8.127
199 HE2 LYS 23 HE1 LYS 23 -18.830 14.814 11.082
200 HE3 LYS 23 HE2 LYS 23 -19.672 15.540 9.655
201 HZ1 LYS 23 HZ1 LYS 23 -20.106 12.887 10.903
202 HZ2 LYS 23 HZ2 LYS 23 -20.561 13.192 9.317
203 HZ3 LYS 23 HZ3 LYS 23 -21.238 14.112 10.572
204 HN2 ABA 24 HN AGL 24 -19.427 9.783 6.207
205 HA ABA 24 HA AGL 24 -21.426 11.897 5.756
206 HB3 ABA 24 HB2 AGL 24 -21.664 10.791 3.481
207 HB2 ABA 24 HB1 AGL 24 -20.395 9.619 3.966
208 HG3 ABA 24 HG AGL 24 -19.918 12.710 4.040
Start of MODEL 19
1 H1 PHE 1 HN PHE 1 6.422 -0.819 -1.527
2 HA PHE 1 HA PHE 1 4.052 0.213 -1.694
3 HB2 PHE 1 HB1 PHE 1 6.244 1.588 -0.004
4 HB3 PHE 1 HB2 PHE 1 4.472 1.643 0.333
5 HD1 PHE 1 HD1 PHE 1 3.322 -0.790 0.478
6 HD2 PHE 1 HD2 PHE 1 7.482 0.039 1.183
7 HE1 PHE 1 HE1 PHE 1 3.496 -2.830 1.866
8 HE2 PHE 1 HE2 PHE 1 7.651 -2.000 2.577
9 HZ PHE 1 HZ PHE 1 5.656 -3.435 2.923
10 H LEU 2 HN LEU 2 3.248 1.445 -3.367
11 HA LEU 2 HA LEU 2 4.547 4.070 -3.841
12 HB2 LEU 2 HB1 LEU 2 3.040 2.253 -5.763
13 HB3 LEU 2 HB2 LEU 2 3.379 3.979 -6.066
14 HG LEU 2 HG LEU 2 5.899 3.334 -5.558
15 HD11 LEU 2 HD11 LEU 2 5.562 0.933 -4.920
16 HD12 LEU 2 HD12 LEU 2 6.497 1.047 -6.450
17 HD13 LEU 2 HD13 LEU 2 4.752 0.623 -6.498
18 HD21 LEU 2 HD21 LEU 2 6.206 2.927 -8.023
19 HD22 LEU 2 HD22 LEU 2 4.999 4.236 -7.711
20 HD23 LEU 2 HD23 LEU 2 4.450 2.586 -8.174
21 HA PRO 3 HA PRO 3 0.370 4.872 -2.283
22 HB2 PRO 3 HB1 PRO 3 0.890 6.693 -0.304
23 HB3 PRO 3 HB2 PRO 3 1.534 5.013 -0.184
24 HG2 PRO 3 HG1 PRO 3 3.015 7.487 -1.268
25 HG3 PRO 3 HG2 PRO 3 3.560 6.357 0.043
26 HD2 PRO 3 HD1 PRO 3 4.338 6.015 -2.605
27 HD3 PRO 3 HD2 PRO 3 3.985 4.604 -1.509
28 H ILE 4 HN ILE 4 2.014 6.626 -4.422
29 HA ILE 4 HA ILE 4 1.040 9.146 -4.648
30 HB ILE 4 HB ILE 4 1.326 7.132 -6.925
31 HG12 ILE 4 HG11 ILE 4 3.500 8.633 -7.194
32 HG13 ILE 4 HG12 ILE 4 3.336 8.919 -5.444
33 HG21 ILE 4 HG21 ILE 4 1.250 10.230 -6.885
34 HG22 ILE 4 HG22 ILE 4 1.678 9.217 -8.305
35 HG23 ILE 4 HG23 ILE 4 0.019 9.143 -7.640
36 HD11 ILE 4 HD1 ILE 4 3.584 6.427 -5.041
37 HD12 ILE 4 HD2 ILE 4 3.514 6.140 -6.826
38 HD13 ILE 4 HD3 ILE 4 4.912 7.008 -6.103
39 H LEU 5 HN LEU 5 -0.683 6.329 -6.121
40 HA LEU 5 HA LEU 5 -2.944 7.775 -6.806
41 HB2 LEU 5 HB1 LEU 5 -2.652 4.776 -6.259
42 HB3 LEU 5 HB2 LEU 5 -4.018 5.543 -7.124
43 HG LEU 5 HG LEU 5 -1.086 5.539 -8.065
44 HD11 LEU 5 HD11 LEU 5 -3.576 4.018 -9.061
45 HD12 LEU 5 HD12 LEU 5 -2.206 3.305 -8.134
46 HD13 LEU 5 HD13 LEU 5 -1.933 3.954 -9.795
47 HD21 LEU 5 HD21 LEU 5 -3.635 6.609 -9.449
48 HD22 LEU 5 HD22 LEU 5 -2.027 6.412 -10.227
49 HD23 LEU 5 HD23 LEU 5 -2.228 7.597 -8.895
50 H ALA 6 HN ALA 6 -2.299 6.155 -3.669
51 HA ALA 6 HA ALA 6 -4.925 6.407 -2.651
52 HB1 ALA 6 HB1 ALA 6 -3.139 4.953 -1.651
53 HB2 ALA 6 HB2 ALA 6 -2.203 6.425 -1.203
54 HB3 ALA 6 HB3 ALA 6 -3.803 6.102 -0.436
55 H SER 7 HN SER 7 -2.166 8.650 -2.691
56 HA SER 7 HA SER 7 -3.316 10.674 -1.085
57 HB2 SER 7 HB1 SER 7 -1.185 10.955 -3.292
58 HB3 SER 7 HB2 SER 7 -1.617 12.218 -2.091
59 HG SER 7 HG1 SER 7 -0.486 9.661 -1.578
60 H LEU 8 HN LEU 8 -3.451 10.018 -4.542
61 HA LEU 8 HA LEU 8 -4.892 12.337 -5.349
62 HB2 LEU 8 HB1 LEU 8 -3.410 10.878 -6.820
63 HB3 LEU 8 HB2 LEU 8 -4.583 9.550 -6.626
64 HG LEU 8 HG LEU 8 -6.345 11.080 -7.724
65 HD11 LEU 8 HD11 LEU 8 -5.182 13.296 -7.458
66 HD12 LEU 8 HD12 LEU 8 -5.477 12.900 -9.189
67 HD13 LEU 8 HD13 LEU 8 -3.830 12.702 -8.503
68 HD21 LEU 8 HD21 LEU 8 -3.871 10.265 -9.373
69 HD22 LEU 8 HD22 LEU 8 -5.521 10.587 -10.013
70 HD23 LEU 8 HD23 LEU 8 -5.248 9.189 -8.912
71 H ALA 9 HN ALA 9 -5.857 8.924 -4.672
72 HA ALA 9 HA ALA 9 -8.539 9.110 -5.194
73 HB1 ALA 9 HB1 ALA 9 -7.250 6.983 -4.915
74 HB2 ALA 9 HB2 ALA 9 -7.066 7.327 -3.158
75 HB3 ALA 9 HB3 ALA 9 -8.702 6.997 -3.852
76 H ALA 10 HN ALA 10 -6.845 9.913 -2.170
77 HA ALA 10 HA ALA 10 -9.123 10.421 -0.623
78 HB1 ALA 10 HB1 ALA 10 -6.822 10.122 0.261
79 HB2 ALA 10 HB2 ALA 10 -6.306 11.651 -0.531
80 HB3 ALA 10 HB3 ALA 10 -7.518 11.683 0.823
81 H LYS 11 HN LYS 11 -8.233 12.195 -3.435
82 HA LYS 11 HA LYS 11 -9.851 14.519 -2.508
83 HB2 LYS 11 HB1 LYS 11 -7.650 14.305 -4.644
84 HB3 LYS 11 HB2 LYS 11 -8.828 15.647 -4.624
85 HG2 LYS 11 HG1 LYS 11 -6.728 16.362 -3.653
86 HG3 LYS 11 HG2 LYS 11 -8.051 16.445 -2.443
87 HD2 LYS 11 HD1 LYS 11 -7.282 14.463 -1.311
88 HD3 LYS 11 HD2 LYS 11 -6.209 14.022 -2.685
89 HE2 LYS 11 HE1 LYS 11 -4.709 15.981 -2.100
90 HE3 LYS 11 HE2 LYS 11 -5.773 16.332 -0.669
91 HZ1 LYS 11 HZ1 LYS 11 -3.844 14.862 -0.174
92 HZ2 LYS 11 HZ2 LYS 11 -4.504 13.708 -1.245
93 HZ3 LYS 11 HZ3 LYS 11 -5.353 14.141 0.149
94 H PHE 12 HN PHE 12 -9.220 12.241 -5.253
95 HA PHE 12 HA PHE 12 -11.616 13.266 -6.572
96 HB2 PHE 12 HB1 PHE 12 -9.348 11.360 -7.402
97 HB3 PHE 12 HB2 PHE 12 -10.795 11.664 -8.438
98 HD1 PHE 12 HD1 PHE 12 -7.679 13.136 -7.122
99 HD2 PHE 12 HD2 PHE 12 -11.281 13.874 -9.339
100 HE1 PHE 12 HE1 PHE 12 -6.700 15.235 -8.018
101 HE2 PHE 12 HE2 PHE 12 -10.304 15.963 -10.237
102 HZ PHE 12 HZ PHE 12 -8.013 16.644 -9.580
103 H GLY 13 HN GLY 13 -11.112 10.838 -4.288
104 HA2 GLY 13 HA1 GLY 13 -13.526 9.394 -5.238
105 HA3 GLY 13 HA2 GLY 13 -12.204 8.728 -4.230
106 HA PRO 14 HA PRO 14 -14.109 11.410 -0.972
107 HB2 PRO 14 HB1 PRO 14 -16.221 13.198 -1.387
108 HB3 PRO 14 HB2 PRO 14 -14.502 13.618 -1.743
109 HG2 PRO 14 HG1 PRO 14 -16.583 12.551 -3.740
110 HG3 PRO 14 HG2 PRO 14 -15.539 14.025 -3.893
111 HD2 PRO 14 HD1 PRO 14 -14.760 11.645 -5.032
112 HD3 PRO 14 HD2 PRO 14 -13.554 12.712 -4.189
113 H LYS 15 HN LYS 15 -16.358 10.042 -3.267
114 HA LYS 15 HA LYS 15 -18.457 9.301 -1.554
115 HB2 LYS 15 HB1 LYS 15 -18.523 9.110 -4.048
116 HB3 LYS 15 HB2 LYS 15 -17.217 7.891 -3.996
117 HG2 LYS 15 HG1 LYS 15 -18.792 6.341 -2.702
118 HG3 LYS 15 HG2 LYS 15 -20.092 7.552 -2.928
119 HD2 LYS 15 HD1 LYS 15 -19.869 7.320 -5.413
120 HD3 LYS 15 HD2 LYS 15 -18.477 6.208 -5.189
121 HE2 LYS 15 HE1 LYS 15 -20.000 4.547 -4.017
122 HE3 LYS 15 HE2 LYS 15 -21.404 5.640 -4.332
123 HZ1 LYS 15 HZ1 LYS 15 -20.952 5.421 -6.709
124 HZ2 LYS 15 HZ2 LYS 15 -21.215 3.907 -5.994
125 HZ3 LYS 15 HZ3 LYS 15 -19.646 4.393 -6.399
126 H LEU 16 HN LEU 16 -15.344 7.607 -2.248
127 HA LEU 16 HA LEU 16 -15.947 5.368 -0.568
128 HB2 LEU 16 HB1 LEU 16 -13.274 6.452 -1.643
129 HB3 LEU 16 HB2 LEU 16 -13.504 4.850 -0.874
130 HG LEU 16 HG LEU 16 -14.805 5.769 -3.510
131 HD11 LEU 16 HD11 LEU 16 -12.464 3.835 -2.979
132 HD12 LEU 16 HD12 LEU 16 -12.332 5.486 -3.689
133 HD13 LEU 16 HD13 LEU 16 -13.205 4.186 -4.582
134 HD21 LEU 16 HD21 LEU 16 -14.783 3.015 -2.111
135 HD22 LEU 16 HD22 LEU 16 -15.387 3.330 -3.775
136 HD23 LEU 16 HD23 LEU 16 -16.230 4.064 -2.359
137 H PHE 17 HN PHE 17 -14.099 8.387 -0.205
138 HA PHE 17 HA PHE 17 -13.023 7.849 2.291
139 HB2 PHE 17 HB1 PHE 17 -12.579 9.744 0.433
140 HB3 PHE 17 HB2 PHE 17 -13.701 10.723 1.438
141 HD1 PHE 17 HD1 PHE 17 -13.062 11.136 3.879
142 HD2 PHE 17 HD2 PHE 17 -10.405 9.181 1.127
143 HE1 PHE 17 HE1 PHE 17 -11.175 11.495 5.442
144 HE2 PHE 17 HE2 PHE 17 -8.515 9.552 2.685
145 HZ PHE 17 HZ PHE 17 -8.904 10.700 4.851
146 HN2 ABA 18 HN AGL 18 -16.112 9.538 1.502
147 HA ABA 18 HA AGL 18 -16.843 10.066 4.168
148 HB3 ABA 18 HB2 AGL 18 -18.441 9.714 1.574
149 HB2 ABA 18 HB1 AGL 18 -17.837 11.237 2.244
150 HG3 ABA 18 HG AGL 18 -20.350 9.699 3.001
151 H LEU 19 HN LEU 19 -17.650 7.206 2.078
152 HA LEU 19 HA LEU 19 -19.242 5.988 4.061
153 HB2 LEU 19 HB1 LEU 19 -17.764 4.851 1.636
154 HB3 LEU 19 HB2 LEU 19 -18.920 3.897 2.624
155 HG LEU 19 HG LEU 19 -19.645 6.492 1.144
156 HD11 LEU 19 HD11 LEU 19 -20.178 3.566 0.335
157 HD12 LEU 19 HD12 LEU 19 -19.038 4.711 -0.477
158 HD13 LEU 19 HD13 LEU 19 -20.815 5.034 -0.495
159 HD21 LEU 19 HD21 LEU 19 -21.407 4.358 2.511
160 HD22 LEU 19 HD22 LEU 19 -22.010 5.743 1.527
161 HD23 LEU 19 HD23 LEU 19 -21.154 6.052 3.078
162 H VAL 20 HN VAL 20 -15.722 5.420 3.321
163 HA VAL 20 HA VAL 20 -15.566 3.389 5.281
164 HB VAL 20 HB VAL 20 -14.042 3.618 3.349
165 HG11 VAL 20 HG11 VAL 20 -13.496 6.096 3.604
166 HG12 VAL 20 HG12 VAL 20 -12.543 5.696 5.084
167 HG13 VAL 20 HG13 VAL 20 -12.046 5.034 3.494
168 HG21 VAL 20 HG21 VAL 20 -12.095 2.701 4.607
169 HG22 VAL 20 HG22 VAL 20 -12.749 3.358 6.147
170 HG23 VAL 20 HG23 VAL 20 -13.643 2.060 5.270
171 H THR 21 HN THR 21 -14.788 6.877 5.487
172 HA THR 21 HA THR 21 -13.986 6.698 8.215
173 HB THR 21 HB THR 21 -14.879 9.315 6.954
174 HG1 THR 21 HG1 THR 21 -13.527 8.592 5.446
175 HG21 THR 21 HG21 THR 21 -14.083 9.218 9.413
176 HG22 THR 21 HG22 THR 21 -12.954 10.144 8.349
177 HG23 THR 21 HG23 THR 21 -12.556 8.462 8.833
178 H LYS 22 HN LYS 22 -17.043 6.792 6.690
179 HA LYS 22 HA LYS 22 -19.108 6.717 7.359
180 HB2 LYS 22 HB1 LYS 22 -17.750 4.995 8.751
181 HB3 LYS 22 HB2 LYS 22 -18.101 6.068 10.153
182 HG2 LYS 22 HG1 LYS 22 -20.618 5.746 9.507
183 HG3 LYS 22 HG2 LYS 22 -20.071 4.461 8.397
184 HD2 LYS 22 HD1 LYS 22 -19.722 4.577 11.478
185 HD3 LYS 22 HD2 LYS 22 -20.889 3.596 10.564
186 HE2 LYS 22 HE1 LYS 22 -19.207 2.049 11.221
187 HE3 LYS 22 HE2 LYS 22 -18.900 2.353 9.466
188 HZ1 LYS 22 HZ1 LYS 22 -17.476 3.632 11.760
189 HZ2 LYS 22 HZ2 LYS 22 -17.177 3.920 10.120
190 HZ3 LYS 22 HZ3 LYS 22 -16.866 2.389 10.776
191 H LYS 23 HN LYS 23 -17.664 9.408 8.006
192 HA LYS 23 HA LYS 23 -19.837 10.471 9.730
193 HB2 LYS 23 HB1 LYS 23 -18.310 11.660 11.134
194 HB3 LYS 23 HB2 LYS 23 -17.808 9.960 11.117
195 HG2 LYS 23 HG1 LYS 23 -15.837 10.323 10.054
196 HG3 LYS 23 HG2 LYS 23 -16.382 11.694 9.058
197 HD2 LYS 23 HD1 LYS 23 -16.004 11.987 12.104
198 HD3 LYS 23 HD2 LYS 23 -14.641 12.080 10.964
199 HE2 LYS 23 HE1 LYS 23 -15.362 14.355 11.488
200 HE3 LYS 23 HE2 LYS 23 -15.655 13.996 9.744
201 HZ1 LYS 23 HZ1 LYS 23 -17.737 13.850 11.875
202 HZ2 LYS 23 HZ2 LYS 23 -17.952 13.663 10.208
203 HZ3 LYS 23 HZ3 LYS 23 -17.507 15.164 10.824
204 HN2 ABA 24 HN AGL 24 -19.218 10.779 6.713
205 HA ABA 24 HA AGL 24 -18.436 13.530 6.484
206 HB3 ABA 24 HB2 AGL 24 -17.881 12.093 4.656
207 HB2 ABA 24 HB1 AGL 24 -19.025 13.333 4.087
208 HG3 ABA 24 HG AGL 24 -20.884 11.335 4.637
Start of MODEL 20
1 H1 PHE 1 HN PHE 1 0.951 0.800 0.529
2 HA PHE 1 HA PHE 1 0.251 -0.264 -1.866
3 HB2 PHE 1 HB1 PHE 1 -2.129 0.416 -1.043
4 HB3 PHE 1 HB2 PHE 1 -1.606 2.126 -1.186
5 HD1 PHE 1 HD1 PHE 1 -2.037 3.179 -3.270
6 HD2 PHE 1 HD2 PHE 1 -1.726 -1.106 -3.147
7 HE1 PHE 1 HE1 PHE 1 -2.655 3.059 -5.672
8 HE2 PHE 1 HE2 PHE 1 -2.330 -1.218 -5.545
9 HZ PHE 1 HZ PHE 1 -2.788 0.863 -6.808
10 H LEU 2 HN LEU 2 0.300 1.915 -3.570
11 HA LEU 2 HA LEU 2 2.893 3.015 -2.996
12 HB2 LEU 2 HB1 LEU 2 1.029 3.242 -5.397
13 HB3 LEU 2 HB2 LEU 2 2.561 4.161 -5.257
14 HG LEU 2 HG LEU 2 3.794 1.950 -4.968
15 HD11 LEU 2 HD11 LEU 2 2.710 -0.076 -6.027
16 HD12 LEU 2 HD12 LEU 2 1.125 0.773 -5.988
17 HD13 LEU 2 HD13 LEU 2 1.973 0.350 -4.449
18 HD21 LEU 2 HD21 LEU 2 3.806 3.304 -7.069
19 HD22 LEU 2 HD22 LEU 2 2.307 2.463 -7.620
20 HD23 LEU 2 HD23 LEU 2 3.836 1.536 -7.425
21 HA PRO 3 HA PRO 3 0.655 6.055 -0.847
22 HB2 PRO 3 HB1 PRO 3 2.661 7.811 0.089
23 HB3 PRO 3 HB2 PRO 3 2.418 6.125 0.679
24 HG2 PRO 3 HG1 PRO 3 4.355 7.048 -1.516
25 HG3 PRO 3 HG2 PRO 3 4.713 6.016 -0.067
26 HD2 PRO 3 HD1 PRO 3 4.203 4.837 -2.485
27 HD3 PRO 3 HD2 PRO 3 3.435 4.161 -0.978
28 H ILE 4 HN ILE 4 2.649 7.369 -3.404
29 HA ILE 4 HA ILE 4 1.615 9.861 -3.886
30 HB ILE 4 HB ILE 4 2.205 7.690 -5.944
31 HG12 ILE 4 HG11 ILE 4 4.038 9.838 -4.715
32 HG13 ILE 4 HG12 ILE 4 4.106 8.091 -4.325
33 HG21 ILE 4 HG21 ILE 4 2.103 10.785 -6.157
34 HG22 ILE 4 HG22 ILE 4 2.592 9.664 -7.475
35 HG23 ILE 4 HG23 ILE 4 0.907 9.653 -6.891
36 HD11 ILE 4 HD1 ILE 4 4.707 9.356 -7.072
37 HD12 ILE 4 HD2 ILE 4 5.867 8.582 -5.943
38 HD13 ILE 4 HD3 ILE 4 4.610 7.584 -6.765
39 H LEU 5 HN LEU 5 0.242 6.863 -5.298
40 HA LEU 5 HA LEU 5 -2.106 7.988 -6.256
41 HB2 LEU 5 HB1 LEU 5 -1.379 5.097 -5.505
42 HB3 LEU 5 HB2 LEU 5 -2.890 5.566 -6.342
43 HG LEU 5 HG LEU 5 -1.447 4.684 -7.961
44 HD11 LEU 5 HD11 LEU 5 -2.790 6.683 -8.660
45 HD12 LEU 5 HD12 LEU 5 -1.286 6.476 -9.626
46 HD13 LEU 5 HD13 LEU 5 -1.358 7.741 -8.353
47 HD21 LEU 5 HD21 LEU 5 0.779 5.386 -8.554
48 HD22 LEU 5 HD22 LEU 5 0.770 5.007 -6.793
49 HD23 LEU 5 HD23 LEU 5 0.765 6.731 -7.369
50 H ALA 6 HN ALA 6 -1.412 6.683 -2.991
51 HA ALA 6 HA ALA 6 -4.084 6.599 -2.126
52 HB1 ALA 6 HB1 ALA 6 -3.149 6.675 0.163
53 HB2 ALA 6 HB2 ALA 6 -2.155 5.593 -0.876
54 HB3 ALA 6 HB3 ALA 6 -1.568 7.250 -0.481
55 H SER 7 HN SER 7 -1.793 9.385 -2.171
56 HA SER 7 HA SER 7 -3.685 11.215 -1.070
57 HB2 SER 7 HB1 SER 7 -1.223 11.689 -1.155
58 HB3 SER 7 HB2 SER 7 -1.364 11.934 -2.928
59 HG SER 7 HG1 SER 7 -1.508 13.874 -1.681
60 H LEU 8 HN LEU 8 -3.046 10.199 -4.452
61 HA LEU 8 HA LEU 8 -4.810 12.029 -5.669
62 HB2 LEU 8 HB1 LEU 8 -3.014 10.549 -6.768
63 HB3 LEU 8 HB2 LEU 8 -4.132 9.169 -6.566
64 HG LEU 8 HG LEU 8 -5.835 10.463 -7.990
65 HD11 LEU 8 HD11 LEU 8 -4.871 12.780 -7.732
66 HD12 LEU 8 HD12 LEU 8 -4.948 12.277 -9.458
67 HD13 LEU 8 HD13 LEU 8 -3.374 12.240 -8.588
68 HD21 LEU 8 HD21 LEU 8 -4.703 9.887 -10.129
69 HD22 LEU 8 HD22 LEU 8 -4.436 8.603 -8.894
70 HD23 LEU 8 HD23 LEU 8 -3.119 9.776 -9.283
71 H ALA 9 HN ALA 9 -5.392 8.691 -4.460
72 HA ALA 9 HA ALA 9 -8.125 8.553 -4.980
73 HB1 ALA 9 HB1 ALA 9 -6.456 7.248 -2.741
74 HB2 ALA 9 HB2 ALA 9 -8.084 6.692 -3.292
75 HB3 ALA 9 HB3 ALA 9 -6.669 6.600 -4.403
76 H ALA 10 HN ALA 10 -6.439 9.747 -2.011
77 HA ALA 10 HA ALA 10 -8.897 10.663 -0.827
78 HB1 ALA 10 HB1 ALA 10 -7.387 11.600 0.923
79 HB2 ALA 10 HB2 ALA 10 -6.936 9.901 0.535
80 HB3 ALA 10 HB3 ALA 10 -5.959 11.252 -0.133
81 H LYS 11 HN LYS 11 -8.631 11.640 -3.422
82 HA LYS 11 HA LYS 11 -9.035 14.463 -2.953
83 HB2 LYS 11 HB1 LYS 11 -6.550 13.647 -4.048
84 HB3 LYS 11 HB2 LYS 11 -7.507 13.923 -5.506
85 HG2 LYS 11 HG1 LYS 11 -6.342 15.980 -5.032
86 HG3 LYS 11 HG2 LYS 11 -8.076 16.230 -4.715
87 HD2 LYS 11 HD1 LYS 11 -6.918 17.362 -3.010
88 HD3 LYS 11 HD2 LYS 11 -7.629 15.948 -2.203
89 HE2 LYS 11 HE1 LYS 11 -4.673 16.096 -3.163
90 HE3 LYS 11 HE2 LYS 11 -5.222 16.656 -1.537
91 HZ1 LYS 11 HZ1 LYS 11 -4.443 14.430 -1.303
92 HZ2 LYS 11 HZ2 LYS 11 -5.326 13.870 -2.588
93 HZ3 LYS 11 HZ3 LYS 11 -6.149 14.361 -1.239
94 H PHE 12 HN PHE 12 -8.802 12.037 -5.640
95 HA PHE 12 HA PHE 12 -11.289 13.065 -6.742
96 HB2 PHE 12 HB1 PHE 12 -9.204 10.986 -7.674
97 HB3 PHE 12 HB2 PHE 12 -10.702 11.364 -8.605
98 HD1 PHE 12 HD1 PHE 12 -7.354 12.553 -7.705
99 HD2 PHE 12 HD2 PHE 12 -11.111 13.615 -9.490
100 HE1 PHE 12 HE1 PHE 12 -6.284 14.512 -8.800
101 HE2 PHE 12 HE2 PHE 12 -10.043 15.558 -10.591
102 HZ PHE 12 HZ PHE 12 -7.630 16.007 -10.247
103 H GLY 13 HN GLY 13 -10.614 10.677 -4.422
104 HA2 GLY 13 HA1 GLY 13 -13.027 9.135 -5.175
105 HA3 GLY 13 HA2 GLY 13 -11.653 8.595 -4.168
106 HA PRO 14 HA PRO 14 -13.860 11.164 -0.947
107 HB2 PRO 14 HB1 PRO 14 -16.071 12.786 -1.487
108 HB3 PRO 14 HB2 PRO 14 -14.373 13.351 -1.714
109 HG2 PRO 14 HG1 PRO 14 -16.222 12.170 -3.864
110 HG3 PRO 14 HG2 PRO 14 -15.282 13.718 -3.927
111 HD2 PRO 14 HD1 PRO 14 -14.286 11.403 -5.035
112 HD3 PRO 14 HD2 PRO 14 -13.193 12.552 -4.148
113 H LYS 15 HN LYS 15 -15.756 9.707 -3.441
114 HA LYS 15 HA LYS 15 -17.928 8.631 -2.058
115 HB2 LYS 15 HB1 LYS 15 -17.590 8.619 -4.533
116 HB3 LYS 15 HB2 LYS 15 -16.148 7.581 -4.347
117 HG2 LYS 15 HG1 LYS 15 -17.628 5.702 -3.520
118 HG3 LYS 15 HG2 LYS 15 -19.061 6.751 -3.775
119 HD2 LYS 15 HD1 LYS 15 -18.472 6.958 -6.205
120 HD3 LYS 15 HD2 LYS 15 -16.999 5.969 -5.937
121 HE2 LYS 15 HE1 LYS 15 -18.435 3.984 -5.316
122 HE3 LYS 15 HE2 LYS 15 -19.918 4.974 -5.621
123 HZ1 LYS 15 HZ1 LYS 15 -19.329 3.621 -7.530
124 HZ2 LYS 15 HZ2 LYS 15 -17.797 4.328 -7.623
125 HZ3 LYS 15 HZ3 LYS 15 -19.175 5.261 -7.913
126 H LEU 16 HN LEU 16 -14.571 7.295 -2.397
127 HA LEU 16 HA LEU 16 -15.147 5.027 -0.711
128 HB2 LEU 16 HB1 LEU 16 -12.504 6.267 -1.679
129 HB3 LEU 16 HB2 LEU 16 -12.641 4.713 -0.800
130 HG LEU 16 HG LEU 16 -13.874 5.288 -3.558
131 HD11 LEU 16 HD11 LEU 16 -11.363 3.682 -2.770
132 HD12 LEU 16 HD12 LEU 16 -11.377 5.275 -3.611
133 HD13 LEU 16 HD13 LEU 16 -12.054 3.816 -4.427
134 HD21 LEU 16 HD21 LEU 16 -13.619 2.671 -1.937
135 HD22 LEU 16 HD22 LEU 16 -14.170 2.783 -3.644
136 HD23 LEU 16 HD23 LEU 16 -15.158 3.525 -2.332
137 H PHE 17 HN PHE 17 -13.599 8.215 -0.327
138 HA PHE 17 HA PHE 17 -12.555 7.798 2.190
139 HB2 PHE 17 HB1 PHE 17 -12.195 9.708 0.388
140 HB3 PHE 17 HB2 PHE 17 -13.516 10.566 1.254
141 HD1 PHE 17 HD1 PHE 17 -13.133 11.314 3.599
142 HD2 PHE 17 HD2 PHE 17 -10.068 9.247 1.408
143 HE1 PHE 17 HE1 PHE 17 -11.459 11.998 5.291
144 HE2 PHE 17 HE2 PHE 17 -8.393 9.940 3.098
145 HZ PHE 17 HZ PHE 17 -9.090 11.316 5.040
146 HN2 ABA 18 HN AGL 18 -15.801 9.185 1.383
147 HA ABA 18 HA AGL 18 -16.593 9.546 4.061
148 HB3 ABA 18 HB2 AGL 18 -18.206 9.083 1.499
149 HB2 ABA 18 HB1 AGL 18 -17.725 10.652 2.172
150 HG3 ABA 18 HG AGL 18 -20.034 8.854 3.014
151 H LEU 19 HN LEU 19 -16.913 6.629 1.929
152 HA LEU 19 HA LEU 19 -18.456 5.170 3.776
153 HB2 LEU 19 HB1 LEU 19 -16.590 4.289 1.514
154 HB3 LEU 19 HB2 LEU 19 -17.619 3.143 2.432
155 HG LEU 19 HG LEU 19 -18.723 5.522 0.838
156 HD11 LEU 19 HD11 LEU 19 -19.382 3.824 -0.868
157 HD12 LEU 19 HD12 LEU 19 -18.528 2.540 0.071
158 HD13 LEU 19 HD13 LEU 19 -17.590 3.897 -0.664
159 HD21 LEU 19 HD21 LEU 19 -20.271 4.771 2.648
160 HD22 LEU 19 HD22 LEU 19 -20.103 3.062 2.097
161 HD23 LEU 19 HD23 LEU 19 -20.901 4.280 1.036
162 H VAL 20 HN VAL 20 -14.831 5.162 3.365
163 HA VAL 20 HA VAL 20 -14.552 3.286 5.480
164 HB VAL 20 HB VAL 20 -12.188 3.766 5.531
165 HG11 VAL 20 HG11 VAL 20 -13.211 2.207 3.838
166 HG12 VAL 20 HG12 VAL 20 -13.342 3.574 2.666
167 HG13 VAL 20 HG13 VAL 20 -11.725 3.015 3.220
168 HG21 VAL 20 HG21 VAL 20 -12.846 6.012 3.502
169 HG22 VAL 20 HG22 VAL 20 -12.135 6.237 5.149
170 HG23 VAL 20 HG23 VAL 20 -11.202 5.388 3.876
171 H THR 21 HN THR 21 -14.444 6.853 5.501
172 HA THR 21 HA THR 21 -13.753 7.094 8.217
173 HB THR 21 HB THR 21 -15.329 9.204 6.692
174 HG1 THR 21 HG1 THR 21 -13.554 8.788 5.465
175 HG21 THR 21 HG21 THR 21 -13.140 9.307 8.896
176 HG22 THR 21 HG22 THR 21 -14.891 9.476 9.254
177 HG23 THR 21 HG23 THR 21 -14.043 10.707 8.231
178 H LYS 22 HN LYS 22 -16.902 6.830 6.636
179 HA LYS 22 HA LYS 22 -18.972 6.717 7.217
180 HB2 LYS 22 HB1 LYS 22 -18.076 5.724 9.951
181 HB3 LYS 22 HB2 LYS 22 -19.622 5.353 9.148
182 HG2 LYS 22 HG1 LYS 22 -18.637 3.859 7.582
183 HG3 LYS 22 HG2 LYS 22 -16.990 4.461 7.820
184 HD2 LYS 22 HD1 LYS 22 -18.602 2.764 9.802
185 HD3 LYS 22 HD2 LYS 22 -17.194 2.277 8.819
186 HE2 LYS 22 HE1 LYS 22 -17.256 4.079 11.311
187 HE3 LYS 22 HE2 LYS 22 -16.316 2.568 11.018
188 HZ1 LYS 22 HZ1 LYS 22 -15.853 5.301 9.975
189 HZ2 LYS 22 HZ2 LYS 22 -15.188 3.998 9.177
190 HZ3 LYS 22 HZ3 LYS 22 -14.783 4.288 10.798
191 H LYS 23 HN LYS 23 -17.495 9.321 8.355
192 HA LYS 23 HA LYS 23 -19.986 10.101 9.779
193 HB2 LYS 23 HB1 LYS 23 -18.910 11.536 11.295
194 HB3 LYS 23 HB2 LYS 23 -18.119 9.956 11.345
195 HG2 LYS 23 HG1 LYS 23 -16.339 11.427 11.561
196 HG3 LYS 23 HG2 LYS 23 -16.251 10.832 9.887
197 HD2 LYS 23 HD1 LYS 23 -15.597 13.127 9.975
198 HD3 LYS 23 HD2 LYS 23 -17.098 13.050 9.039
199 HE2 LYS 23 HE1 LYS 23 -16.884 13.946 12.019
200 HE3 LYS 23 HE2 LYS 23 -16.853 15.048 10.590
201 HZ1 LYS 23 HZ1 LYS 23 -19.044 15.119 11.067
202 HZ2 LYS 23 HZ2 LYS 23 -19.096 13.559 11.734
203 HZ3 LYS 23 HZ3 LYS 23 -19.063 13.750 10.065
204 HN2 ABA 24 HN AGL 24 -19.020 10.303 6.813
205 HA ABA 24 HA AGL 24 -18.619 13.054 6.355
206 HB3 ABA 24 HB2 AGL 24 -17.787 11.432 4.769
207 HB2 ABA 24 HB1 AGL 24 -18.917 12.548 3.961
208 HG3 ABA 24 HG AGL 24 -20.670 10.415 4.682